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 -132:sc= 1.01 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 32 SER OG : rot -60:sc= 1.3 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.634 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 -5:sc= 0.102 USER MOD Single : A 46 GLN : amide:sc= -7.74! C(o=-7.7!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 21:sc= 0.285 USER MOD Single : A 57 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.9!) USER MOD Single : A 74 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-3.4!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0413 F(o=-1.2,f=-0.041) USER MOD Single : A 85 TYR OH : rot -13:sc= 0.377 USER MOD Single : A 88 ASN :FLIP amide:sc= -1.28 F(o=-2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 6.317 -34.402 -10.289 1.00 14.24 N ATOM 195 CA GLU A 15 5.623 -35.675 -10.134 1.00 13.13 C ATOM 196 C GLU A 15 4.696 -35.645 -8.922 1.00 32.42 C ATOM 197 O GLU A 15 4.459 -34.590 -8.333 1.00 70.23 O ATOM 198 CB GLU A 15 6.631 -36.817 -9.991 1.00 3.45 C ATOM 199 CG GLU A 15 6.401 -37.958 -10.966 1.00 71.25 C ATOM 200 CD GLU A 15 7.233 -37.825 -12.227 1.00 40.11 C ATOM 201 OE1 GLU A 15 8.379 -38.321 -12.236 1.00 21.32 O ATOM 202 OE2 GLU A 15 6.739 -37.225 -13.204 1.00 50.41 O ATOM 0 HA GLU A 15 5.020 -35.842 -11.027 1.00 13.13 H new ATOM 0 HB2 GLU A 15 7.637 -36.423 -10.137 1.00 3.45 H new ATOM 0 HB3 GLU A 15 6.585 -37.205 -8.973 1.00 3.45 H new ATOM 0 HG2 GLU A 15 6.638 -38.903 -10.477 1.00 71.25 H new ATOM 0 HG3 GLU A 15 5.345 -37.995 -11.234 1.00 71.25 H new ATOM 209 N TYR A 16 4.174 -36.811 -8.555 1.00 41.33 N ATOM 210 CA TYR A 16 3.271 -36.919 -7.416 1.00 33.11 C ATOM 211 C TYR A 16 3.651 -38.101 -6.529 1.00 43.14 C ATOM 212 O TYR A 16 4.618 -38.812 -6.805 1.00 45.40 O ATOM 213 CB TYR A 16 1.827 -37.072 -7.896 1.00 55.31 C ATOM 214 CG TYR A 16 1.679 -37.988 -9.090 1.00 11.12 C ATOM 215 CD1 TYR A 16 1.387 -37.478 -10.349 1.00 70.52 C ATOM 216 CD2 TYR A 16 1.830 -39.363 -8.958 1.00 44.34 C ATOM 217 CE1 TYR A 16 1.250 -38.312 -11.443 1.00 5.33 C ATOM 218 CE2 TYR A 16 1.697 -40.203 -10.046 1.00 62.25 C ATOM 219 CZ TYR A 16 1.407 -39.673 -11.286 1.00 60.14 C ATOM 220 OH TYR A 16 1.272 -40.507 -12.372 1.00 61.35 O ATOM 0 H TYR A 16 4.361 -37.694 -9.030 1.00 41.33 H new ATOM 0 HA TYR A 16 3.357 -36.005 -6.829 1.00 33.11 H new ATOM 0 HB2 TYR A 16 1.220 -37.456 -7.077 1.00 55.31 H new ATOM 0 HB3 TYR A 16 1.432 -36.089 -8.152 1.00 55.31 H new ATOM 0 HD1 TYR A 16 1.265 -36.412 -10.475 1.00 70.52 H new ATOM 0 HD2 TYR A 16 2.055 -39.782 -7.988 1.00 44.34 H new ATOM 0 HE1 TYR A 16 1.021 -37.900 -12.415 1.00 5.33 H new ATOM 0 HE2 TYR A 16 1.819 -41.269 -9.927 1.00 62.25 H new ATOM 0 HH TYR A 16 1.414 -41.435 -12.091 1.00 61.35 H new ATOM 230 N ILE A 17 2.883 -38.305 -5.465 1.00 3.45 N ATOM 231 CA ILE A 17 3.138 -39.401 -4.538 1.00 52.30 C ATOM 232 C ILE A 17 1.942 -40.344 -4.461 1.00 65.41 C ATOM 233 O ILE A 17 0.827 -39.925 -4.154 1.00 35.22 O ATOM 234 CB ILE A 17 3.458 -38.880 -3.124 1.00 64.15 C ATOM 235 CG1 ILE A 17 3.486 -40.038 -2.125 1.00 30.21 C ATOM 236 CG2 ILE A 17 2.439 -37.833 -2.702 1.00 11.20 C ATOM 237 CD1 ILE A 17 3.914 -39.626 -0.734 1.00 14.32 C ATOM 0 H ILE A 17 2.079 -37.726 -5.223 1.00 3.45 H new ATOM 0 HA ILE A 17 4.003 -39.944 -4.921 1.00 52.30 H new ATOM 0 HB ILE A 17 4.443 -38.414 -3.139 1.00 64.15 H new ATOM 0 HG12 ILE A 17 2.494 -40.486 -2.073 1.00 30.21 H new ATOM 0 HG13 ILE A 17 4.165 -40.808 -2.492 1.00 30.21 H new ATOM 0 HG21 ILE A 17 2.679 -37.475 -1.701 1.00 11.20 H new ATOM 0 HG22 ILE A 17 2.464 -36.998 -3.402 1.00 11.20 H new ATOM 0 HG23 ILE A 17 1.443 -38.275 -2.700 1.00 11.20 H new ATOM 0 HD11 ILE A 17 3.911 -40.497 -0.079 1.00 14.32 H new ATOM 0 HD12 ILE A 17 4.919 -39.205 -0.772 1.00 14.32 H new ATOM 0 HD13 ILE A 17 3.222 -38.879 -0.347 1.00 14.32 H new ATOM 249 N ARG A 18 2.184 -41.621 -4.741 1.00 4.12 N ATOM 250 CA ARG A 18 1.128 -42.625 -4.703 1.00 11.13 C ATOM 251 C ARG A 18 1.370 -43.626 -3.577 1.00 71.42 C ATOM 252 O ARG A 18 2.231 -44.500 -3.684 1.00 35.22 O ATOM 253 CB ARG A 18 1.043 -43.358 -6.043 1.00 23.13 C ATOM 254 CG ARG A 18 -0.058 -42.838 -6.953 1.00 25.42 C ATOM 255 CD ARG A 18 -0.695 -43.963 -7.754 1.00 43.33 C ATOM 256 NE ARG A 18 -0.269 -43.949 -9.151 1.00 44.32 N ATOM 257 CZ ARG A 18 -0.870 -44.644 -10.110 1.00 52.20 C ATOM 258 NH1 ARG A 18 -1.919 -45.404 -9.824 1.00 45.34 N ATOM 259 NH2 ARG A 18 -0.424 -44.579 -11.358 1.00 24.32 N ATOM 0 H ARG A 18 3.102 -41.984 -4.997 1.00 4.12 H new ATOM 0 HA ARG A 18 0.183 -42.115 -4.516 1.00 11.13 H new ATOM 0 HB2 ARG A 18 2.000 -43.269 -6.557 1.00 23.13 H new ATOM 0 HB3 ARG A 18 0.878 -44.419 -5.857 1.00 23.13 H new ATOM 0 HG2 ARG A 18 -0.820 -42.338 -6.355 1.00 25.42 H new ATOM 0 HG3 ARG A 18 0.353 -42.092 -7.634 1.00 25.42 H new ATOM 0 HD2 ARG A 18 -0.433 -44.921 -7.305 1.00 43.33 H new ATOM 0 HD3 ARG A 18 -1.780 -43.874 -7.705 1.00 43.33 H new ATOM 0 HE ARG A 18 0.534 -43.374 -9.404 1.00 44.32 H new ATOM 0 HH11 ARG A 18 -2.266 -45.455 -8.866 1.00 45.34 H new ATOM 0 HH12 ARG A 18 -2.379 -45.937 -10.562 1.00 45.34 H new ATOM 0 HH21 ARG A 18 0.382 -43.995 -11.582 1.00 24.32 H new ATOM 0 HH22 ARG A 18 -0.887 -45.113 -12.093 1.00 24.32 H new ATOM 273 N VAL A 19 0.605 -43.493 -2.498 1.00 41.52 N ATOM 274 CA VAL A 19 0.736 -44.385 -1.353 1.00 74.40 C ATOM 275 C VAL A 19 -0.601 -44.565 -0.641 1.00 65.22 C ATOM 276 O VAL A 19 -1.482 -43.709 -0.725 1.00 31.20 O ATOM 277 CB VAL A 19 1.775 -43.858 -0.346 1.00 34.13 C ATOM 278 CG1 VAL A 19 3.186 -44.131 -0.842 1.00 22.52 C ATOM 279 CG2 VAL A 19 1.567 -42.372 -0.096 1.00 10.04 C ATOM 0 H VAL A 19 -0.112 -42.775 -2.393 1.00 41.52 H new ATOM 0 HA VAL A 19 1.072 -45.348 -1.739 1.00 74.40 H new ATOM 0 HB VAL A 19 1.640 -44.385 0.599 1.00 34.13 H new ATOM 0 HG11 VAL A 19 3.906 -43.751 -0.117 1.00 22.52 H new ATOM 0 HG12 VAL A 19 3.327 -45.205 -0.965 1.00 22.52 H new ATOM 0 HG13 VAL A 19 3.338 -43.633 -1.799 1.00 22.52 H new ATOM 0 HG21 VAL A 19 2.310 -42.016 0.618 1.00 10.04 H new ATOM 0 HG22 VAL A 19 1.674 -41.827 -1.034 1.00 10.04 H new ATOM 0 HG23 VAL A 19 0.568 -42.207 0.307 1.00 10.04 H new ATOM 289 N THR A 20 -0.745 -45.685 0.061 1.00 0.20 N ATOM 290 CA THR A 20 -1.974 -45.978 0.788 1.00 62.14 C ATOM 291 C THR A 20 -1.688 -46.269 2.256 1.00 21.53 C ATOM 292 O THR A 20 -0.636 -46.810 2.597 1.00 13.35 O ATOM 293 CB THR A 20 -2.717 -47.179 0.173 1.00 62.21 C ATOM 294 OG1 THR A 20 -3.657 -47.708 1.115 1.00 53.44 O ATOM 295 CG2 THR A 20 -1.738 -48.268 -0.239 1.00 63.10 C ATOM 0 H THR A 20 -0.026 -46.404 0.141 1.00 0.20 H new ATOM 0 HA THR A 20 -2.605 -45.092 0.713 1.00 62.14 H new ATOM 0 HB THR A 20 -3.247 -46.834 -0.715 1.00 62.21 H new ATOM 0 HG1 THR A 20 -3.565 -48.683 1.157 1.00 53.44 H new ATOM 0 HG21 THR A 20 -2.286 -49.106 -0.671 1.00 63.10 H new ATOM 0 HG22 THR A 20 -1.042 -47.871 -0.978 1.00 63.10 H new ATOM 0 HG23 THR A 20 -1.184 -48.609 0.636 1.00 63.10 H new ATOM 303 N GLU A 21 -2.631 -45.909 3.121 1.00 1.31 N ATOM 304 CA GLU A 21 -2.478 -46.132 4.554 1.00 75.31 C ATOM 305 C GLU A 21 -2.706 -47.600 4.903 1.00 62.43 C ATOM 306 O GLU A 21 -1.935 -48.197 5.654 1.00 20.44 O ATOM 307 CB GLU A 21 -3.456 -45.253 5.337 1.00 74.44 C ATOM 308 CG GLU A 21 -3.033 -45.003 6.774 1.00 1.31 C ATOM 309 CD GLU A 21 -4.088 -45.429 7.776 1.00 14.40 C ATOM 310 OE1 GLU A 21 -4.547 -46.588 7.697 1.00 2.22 O ATOM 311 OE2 GLU A 21 -4.456 -44.604 8.638 1.00 11.32 O ATOM 0 H GLU A 21 -3.508 -45.462 2.855 1.00 1.31 H new ATOM 0 HA GLU A 21 -1.458 -45.864 4.831 1.00 75.31 H new ATOM 0 HB2 GLU A 21 -3.560 -44.296 4.826 1.00 74.44 H new ATOM 0 HB3 GLU A 21 -4.439 -45.725 5.333 1.00 74.44 H new ATOM 0 HG2 GLU A 21 -2.108 -45.542 6.975 1.00 1.31 H new ATOM 0 HG3 GLU A 21 -2.819 -43.942 6.906 1.00 1.31 H new ATOM 318 N ASP A 22 -3.769 -48.175 4.352 1.00 71.22 N ATOM 319 CA ASP A 22 -4.099 -49.573 4.603 1.00 22.34 C ATOM 320 C ASP A 22 -3.734 -50.442 3.404 1.00 74.14 C ATOM 321 O ASP A 22 -3.874 -50.021 2.256 1.00 61.01 O ATOM 322 CB ASP A 22 -5.588 -49.719 4.921 1.00 61.22 C ATOM 323 CG ASP A 22 -5.848 -49.909 6.402 1.00 12.53 C ATOM 324 OD1 ASP A 22 -6.172 -48.911 7.081 1.00 43.25 O ATOM 325 OD2 ASP A 22 -5.729 -51.055 6.883 1.00 13.54 O ATOM 0 H ASP A 22 -4.417 -47.694 3.728 1.00 71.22 H new ATOM 0 HA ASP A 22 -3.518 -49.909 5.462 1.00 22.34 H new ATOM 0 HB2 ASP A 22 -6.119 -48.833 4.573 1.00 61.22 H new ATOM 0 HB3 ASP A 22 -5.992 -50.570 4.372 1.00 61.22 H new ATOM 330 N GLU A 23 -3.266 -51.655 3.678 1.00 21.53 N ATOM 331 CA GLU A 23 -2.880 -52.582 2.621 1.00 63.03 C ATOM 332 C GLU A 23 -4.084 -52.962 1.764 1.00 21.41 C ATOM 333 O GLU A 23 -3.960 -53.169 0.558 1.00 71.42 O ATOM 334 CB GLU A 23 -2.248 -53.840 3.220 1.00 73.40 C ATOM 335 CG GLU A 23 -3.147 -54.559 4.212 1.00 11.13 C ATOM 336 CD GLU A 23 -3.662 -55.882 3.681 1.00 71.42 C ATOM 337 OE1 GLU A 23 -3.019 -56.919 3.949 1.00 33.11 O ATOM 338 OE2 GLU A 23 -4.707 -55.882 2.997 1.00 42.21 O ATOM 0 H GLU A 23 -3.145 -52.019 4.623 1.00 21.53 H new ATOM 0 HA GLU A 23 -2.147 -52.084 1.986 1.00 63.03 H new ATOM 0 HB2 GLU A 23 -1.989 -54.526 2.413 1.00 73.40 H new ATOM 0 HB3 GLU A 23 -1.317 -53.567 3.717 1.00 73.40 H new ATOM 0 HG2 GLU A 23 -2.596 -54.733 5.136 1.00 11.13 H new ATOM 0 HG3 GLU A 23 -3.993 -53.918 4.461 1.00 11.13 H new ATOM 345 N ASN A 24 -5.249 -53.053 2.398 1.00 64.00 N ATOM 346 CA ASN A 24 -6.476 -53.410 1.695 1.00 3.30 C ATOM 347 C ASN A 24 -6.970 -52.247 0.839 1.00 20.25 C ATOM 348 O ASN A 24 -7.635 -52.450 -0.176 1.00 52.35 O ATOM 349 CB ASN A 24 -7.560 -53.819 2.694 1.00 23.40 C ATOM 350 CG ASN A 24 -8.242 -55.118 2.307 1.00 5.52 C ATOM 351 OD1 ASN A 24 -8.528 -55.356 1.134 1.00 44.33 O ATOM 352 ND2 ASN A 24 -8.505 -55.964 3.296 1.00 75.35 N ATOM 0 H ASN A 24 -5.369 -52.885 3.397 1.00 64.00 H new ATOM 0 HA ASN A 24 -6.258 -54.254 1.040 1.00 3.30 H new ATOM 0 HB2 ASN A 24 -7.117 -53.925 3.684 1.00 23.40 H new ATOM 0 HB3 ASN A 24 -8.305 -53.027 2.762 1.00 23.40 H new ATOM 0 HD21 ASN A 24 -8.963 -56.854 3.098 1.00 75.35 H new ATOM 0 HD22 ASN A 24 -8.249 -55.724 4.254 1.00 75.35 H new ATOM 359 N ASP A 25 -6.640 -51.030 1.257 1.00 24.22 N ATOM 360 CA ASP A 25 -7.048 -49.835 0.529 1.00 51.32 C ATOM 361 C ASP A 25 -6.155 -49.607 -0.687 1.00 21.23 C ATOM 362 O ASP A 25 -4.979 -49.970 -0.681 1.00 31.22 O ATOM 363 CB ASP A 25 -7.003 -48.612 1.447 1.00 63.05 C ATOM 364 CG ASP A 25 -7.996 -47.543 1.036 1.00 14.03 C ATOM 365 OD1 ASP A 25 -7.609 -46.356 0.996 1.00 63.34 O ATOM 366 OD2 ASP A 25 -9.161 -47.893 0.755 1.00 74.11 O ATOM 0 H ASP A 25 -6.091 -50.845 2.097 1.00 24.22 H new ATOM 0 HA ASP A 25 -8.071 -49.983 0.183 1.00 51.32 H new ATOM 0 HB2 ASP A 25 -7.211 -48.922 2.471 1.00 63.05 H new ATOM 0 HB3 ASP A 25 -5.997 -48.192 1.439 1.00 63.05 H new ATOM 371 N GLU A 26 -6.722 -49.005 -1.727 1.00 72.35 N ATOM 372 CA GLU A 26 -5.977 -48.732 -2.951 1.00 2.25 C ATOM 373 C GLU A 26 -5.001 -47.577 -2.746 1.00 42.30 C ATOM 374 O GLU A 26 -5.194 -46.712 -1.892 1.00 2.54 O ATOM 375 CB GLU A 26 -6.936 -48.406 -4.097 1.00 74.30 C ATOM 376 CG GLU A 26 -7.223 -49.590 -5.005 1.00 73.13 C ATOM 377 CD GLU A 26 -8.707 -49.798 -5.242 1.00 3.40 C ATOM 378 OE1 GLU A 26 -9.211 -50.893 -4.916 1.00 52.33 O ATOM 379 OE2 GLU A 26 -9.363 -48.866 -5.753 1.00 24.02 O ATOM 0 H GLU A 26 -7.694 -48.697 -1.747 1.00 72.35 H new ATOM 0 HA GLU A 26 -5.408 -49.626 -3.207 1.00 2.25 H new ATOM 0 HB2 GLU A 26 -7.875 -48.042 -3.681 1.00 74.30 H new ATOM 0 HB3 GLU A 26 -6.515 -47.596 -4.692 1.00 74.30 H new ATOM 0 HG2 GLU A 26 -6.724 -49.438 -5.962 1.00 73.13 H new ATOM 0 HG3 GLU A 26 -6.799 -50.492 -4.564 1.00 73.13 H new ATOM 386 N PRO A 27 -3.926 -47.562 -3.548 1.00 50.34 N ATOM 387 CA PRO A 27 -2.898 -46.519 -3.475 1.00 71.13 C ATOM 388 C PRO A 27 -3.406 -45.168 -3.968 1.00 33.45 C ATOM 389 O PRO A 27 -3.555 -44.952 -5.171 1.00 1.34 O ATOM 390 CB PRO A 27 -1.795 -47.044 -4.397 1.00 43.35 C ATOM 391 CG PRO A 27 -2.498 -47.941 -5.357 1.00 45.41 C ATOM 392 CD PRO A 27 -3.632 -48.561 -4.589 1.00 41.02 C ATOM 0 HA PRO A 27 -2.569 -46.342 -2.451 1.00 71.13 H new ATOM 0 HB2 PRO A 27 -1.290 -46.228 -4.915 1.00 43.35 H new ATOM 0 HB3 PRO A 27 -1.033 -47.585 -3.835 1.00 43.35 H new ATOM 0 HG2 PRO A 27 -2.868 -47.381 -6.215 1.00 45.41 H new ATOM 0 HG3 PRO A 27 -1.823 -48.706 -5.742 1.00 45.41 H new ATOM 0 HD2 PRO A 27 -4.497 -48.743 -5.227 1.00 41.02 H new ATOM 0 HD3 PRO A 27 -3.347 -49.520 -4.156 1.00 41.02 H new ATOM 400 N ILE A 28 -3.671 -44.264 -3.031 1.00 4.21 N ATOM 401 CA ILE A 28 -4.161 -42.934 -3.371 1.00 4.23 C ATOM 402 C ILE A 28 -3.025 -42.034 -3.846 1.00 23.30 C ATOM 403 O ILE A 28 -1.912 -42.096 -3.325 1.00 22.33 O ATOM 404 CB ILE A 28 -4.860 -42.268 -2.171 1.00 1.11 C ATOM 405 CG1 ILE A 28 -5.401 -40.892 -2.567 1.00 23.41 C ATOM 406 CG2 ILE A 28 -3.899 -42.148 -0.998 1.00 1.53 C ATOM 407 CD1 ILE A 28 -6.461 -40.947 -3.645 1.00 22.35 C ATOM 0 H ILE A 28 -3.555 -44.428 -2.031 1.00 4.21 H new ATOM 0 HA ILE A 28 -4.883 -43.061 -4.178 1.00 4.23 H new ATOM 0 HB ILE A 28 -5.699 -42.893 -1.865 1.00 1.11 H new ATOM 0 HG12 ILE A 28 -5.817 -40.406 -1.684 1.00 23.41 H new ATOM 0 HG13 ILE A 28 -4.574 -40.271 -2.913 1.00 23.41 H new ATOM 0 HG21 ILE A 28 -4.408 -41.675 -0.158 1.00 1.53 H new ATOM 0 HG22 ILE A 28 -3.558 -43.141 -0.704 1.00 1.53 H new ATOM 0 HG23 ILE A 28 -3.042 -41.542 -1.291 1.00 1.53 H new ATOM 0 HD11 ILE A 28 -6.799 -39.936 -3.875 1.00 22.35 H new ATOM 0 HD12 ILE A 28 -6.044 -41.404 -4.543 1.00 22.35 H new ATOM 0 HD13 ILE A 28 -7.306 -41.541 -3.295 1.00 22.35 H new ATOM 419 N GLU A 29 -3.315 -41.198 -4.838 1.00 2.24 N ATOM 420 CA GLU A 29 -2.317 -40.284 -5.382 1.00 60.52 C ATOM 421 C GLU A 29 -2.567 -38.857 -4.903 1.00 61.25 C ATOM 422 O GLU A 29 -3.700 -38.375 -4.920 1.00 60.34 O ATOM 423 CB GLU A 29 -2.332 -40.331 -6.912 1.00 5.14 C ATOM 424 CG GLU A 29 -3.540 -39.649 -7.530 1.00 35.12 C ATOM 425 CD GLU A 29 -3.250 -38.224 -7.959 1.00 15.12 C ATOM 426 OE1 GLU A 29 -4.061 -37.658 -8.722 1.00 72.21 O ATOM 427 OE2 GLU A 29 -2.214 -37.674 -7.532 1.00 64.51 O ATOM 0 H GLU A 29 -4.232 -41.135 -5.281 1.00 2.24 H new ATOM 0 HA GLU A 29 -1.337 -40.601 -5.025 1.00 60.52 H new ATOM 0 HB2 GLU A 29 -1.426 -39.859 -7.290 1.00 5.14 H new ATOM 0 HB3 GLU A 29 -2.308 -41.372 -7.235 1.00 5.14 H new ATOM 0 HG2 GLU A 29 -3.874 -40.224 -8.394 1.00 35.12 H new ATOM 0 HG3 GLU A 29 -4.359 -39.648 -6.811 1.00 35.12 H new ATOM 434 N ILE A 30 -1.502 -38.188 -4.477 1.00 4.42 N ATOM 435 CA ILE A 30 -1.605 -36.816 -3.994 1.00 21.21 C ATOM 436 C ILE A 30 -0.618 -35.904 -4.714 1.00 41.12 C ATOM 437 O ILE A 30 0.467 -36.320 -5.121 1.00 1.00 O ATOM 438 CB ILE A 30 -1.351 -36.733 -2.477 1.00 41.21 C ATOM 439 CG1 ILE A 30 -0.864 -38.082 -1.945 1.00 11.05 C ATOM 440 CG2 ILE A 30 -2.615 -36.296 -1.752 1.00 2.43 C ATOM 441 CD1 ILE A 30 -0.351 -38.021 -0.523 1.00 44.20 C ATOM 0 H ILE A 30 -0.558 -38.573 -4.456 1.00 4.42 H new ATOM 0 HA ILE A 30 -2.622 -36.483 -4.203 1.00 21.21 H new ATOM 0 HB ILE A 30 -0.575 -35.990 -2.293 1.00 41.21 H new ATOM 0 HG12 ILE A 30 -1.682 -38.801 -1.997 1.00 11.05 H new ATOM 0 HG13 ILE A 30 -0.071 -38.454 -2.593 1.00 11.05 H new ATOM 0 HG21 ILE A 30 -2.420 -36.242 -0.681 1.00 2.43 H new ATOM 0 HG22 ILE A 30 -2.922 -35.315 -2.115 1.00 2.43 H new ATOM 0 HG23 ILE A 30 -3.410 -37.017 -1.940 1.00 2.43 H new ATOM 0 HD11 ILE A 30 -0.023 -39.013 -0.212 1.00 44.20 H new ATOM 0 HD12 ILE A 30 0.488 -37.327 -0.468 1.00 44.20 H new ATOM 0 HD13 ILE A 30 -1.148 -37.679 0.137 1.00 44.20 H new ATOM 453 N PRO A 31 -1.000 -34.628 -4.875 1.00 72.41 N ATOM 454 CA PRO A 31 -0.162 -33.629 -5.545 1.00 31.24 C ATOM 455 C PRO A 31 1.068 -33.260 -4.722 1.00 52.55 C ATOM 456 O PRO A 31 0.953 -32.681 -3.642 1.00 40.42 O ATOM 457 CB PRO A 31 -1.093 -32.423 -5.686 1.00 52.51 C ATOM 458 CG PRO A 31 -2.089 -32.582 -4.589 1.00 40.25 C ATOM 459 CD PRO A 31 -2.280 -34.063 -4.415 1.00 61.14 C ATOM 0 HA PRO A 31 0.230 -33.995 -6.494 1.00 31.24 H new ATOM 0 HB2 PRO A 31 -0.544 -31.486 -5.590 1.00 52.51 H new ATOM 0 HB3 PRO A 31 -1.578 -32.409 -6.662 1.00 52.51 H new ATOM 0 HG2 PRO A 31 -1.731 -32.124 -3.667 1.00 40.25 H new ATOM 0 HG3 PRO A 31 -3.030 -32.094 -4.843 1.00 40.25 H new ATOM 0 HD2 PRO A 31 -2.484 -34.323 -3.376 1.00 61.14 H new ATOM 0 HD3 PRO A 31 -3.118 -34.432 -5.006 1.00 61.14 H new ATOM 467 N SER A 32 2.244 -33.597 -5.241 1.00 61.31 N ATOM 468 CA SER A 32 3.496 -33.304 -4.553 1.00 13.51 C ATOM 469 C SER A 32 4.102 -31.999 -5.061 1.00 52.11 C ATOM 470 O SER A 32 3.506 -31.306 -5.885 1.00 44.31 O ATOM 471 CB SER A 32 4.490 -34.450 -4.746 1.00 32.31 C ATOM 472 OG SER A 32 5.288 -34.244 -5.898 1.00 62.54 O ATOM 0 H SER A 32 2.356 -34.073 -6.136 1.00 61.31 H new ATOM 0 HA SER A 32 3.281 -33.195 -3.490 1.00 13.51 H new ATOM 0 HB2 SER A 32 5.129 -34.533 -3.867 1.00 32.31 H new ATOM 0 HB3 SER A 32 3.950 -35.392 -4.838 1.00 32.31 H new ATOM 0 HG SER A 32 4.712 -34.186 -6.689 1.00 62.54 H new ATOM 478 N GLU A 33 5.290 -31.672 -4.563 1.00 21.14 N ATOM 479 CA GLU A 33 5.977 -30.450 -4.965 1.00 72.44 C ATOM 480 C GLU A 33 6.848 -30.696 -6.194 1.00 4.13 C ATOM 481 O GLU A 33 7.054 -31.838 -6.604 1.00 30.31 O ATOM 482 CB GLU A 33 6.835 -29.919 -3.816 1.00 10.44 C ATOM 483 CG GLU A 33 6.380 -28.567 -3.291 1.00 40.02 C ATOM 484 CD GLU A 33 7.064 -27.409 -3.992 1.00 21.12 C ATOM 485 OE1 GLU A 33 8.241 -27.136 -3.674 1.00 14.21 O ATOM 486 OE2 GLU A 33 6.424 -26.776 -4.857 1.00 34.40 O ATOM 0 H GLU A 33 5.797 -32.236 -3.881 1.00 21.14 H new ATOM 0 HA GLU A 33 5.222 -29.705 -5.218 1.00 72.44 H new ATOM 0 HB2 GLU A 33 6.820 -30.640 -2.999 1.00 10.44 H new ATOM 0 HB3 GLU A 33 7.869 -29.840 -4.152 1.00 10.44 H new ATOM 0 HG2 GLU A 33 5.301 -28.477 -3.417 1.00 40.02 H new ATOM 0 HG3 GLU A 33 6.582 -28.510 -2.221 1.00 40.02 H new ATOM 493 N ASP A 34 7.357 -29.616 -6.776 1.00 2.20 N ATOM 494 CA ASP A 34 8.207 -29.712 -7.957 1.00 61.51 C ATOM 495 C ASP A 34 9.561 -30.321 -7.604 1.00 74.23 C ATOM 496 O ASP A 34 10.139 -31.071 -8.391 1.00 44.41 O ATOM 497 CB ASP A 34 8.403 -28.332 -8.585 1.00 50.32 C ATOM 498 CG ASP A 34 9.563 -28.299 -9.560 1.00 42.35 C ATOM 499 OD1 ASP A 34 9.355 -28.642 -10.743 1.00 55.12 O ATOM 500 OD2 ASP A 34 10.680 -27.929 -9.141 1.00 54.23 O ATOM 0 H ASP A 34 7.196 -28.663 -6.449 1.00 2.20 H new ATOM 0 HA ASP A 34 7.712 -30.363 -8.678 1.00 61.51 H new ATOM 0 HB2 ASP A 34 7.489 -28.038 -9.102 1.00 50.32 H new ATOM 0 HB3 ASP A 34 8.574 -27.598 -7.797 1.00 50.32 H new ATOM 505 N ASP A 35 10.060 -29.993 -6.418 1.00 33.23 N ATOM 506 CA ASP A 35 11.345 -30.507 -5.960 1.00 64.44 C ATOM 507 C ASP A 35 11.302 -32.025 -5.812 1.00 30.10 C ATOM 508 O ASP A 35 12.338 -32.689 -5.808 1.00 50.52 O ATOM 509 CB ASP A 35 11.732 -29.863 -4.628 1.00 72.11 C ATOM 510 CG ASP A 35 13.219 -29.589 -4.527 1.00 65.23 C ATOM 511 OD1 ASP A 35 13.857 -30.112 -3.589 1.00 1.31 O ATOM 512 OD2 ASP A 35 13.746 -28.853 -5.387 1.00 63.23 O ATOM 0 H ASP A 35 9.594 -29.373 -5.756 1.00 33.23 H new ATOM 0 HA ASP A 35 12.096 -30.254 -6.708 1.00 64.44 H new ATOM 0 HB2 ASP A 35 11.184 -28.928 -4.507 1.00 72.11 H new ATOM 0 HB3 ASP A 35 11.430 -30.517 -3.810 1.00 72.11 H new ATOM 517 N GLY A 36 10.095 -32.568 -5.689 1.00 34.43 N ATOM 518 CA GLY A 36 9.939 -34.004 -5.540 1.00 53.43 C ATOM 519 C GLY A 36 9.313 -34.385 -4.213 1.00 40.33 C ATOM 520 O GLY A 36 8.619 -35.397 -4.113 1.00 15.32 O ATOM 0 H GLY A 36 9.222 -32.040 -5.690 1.00 34.43 H new ATOM 0 HA2 GLY A 36 9.321 -34.385 -6.353 1.00 53.43 H new ATOM 0 HA3 GLY A 36 10.914 -34.483 -5.629 1.00 53.43 H new ATOM 524 N THR A 37 9.560 -33.573 -3.189 1.00 70.35 N ATOM 525 CA THR A 37 9.018 -33.832 -1.861 1.00 45.14 C ATOM 526 C THR A 37 7.511 -33.608 -1.829 1.00 70.01 C ATOM 527 O THR A 37 6.879 -33.415 -2.868 1.00 44.01 O ATOM 528 CB THR A 37 9.682 -32.935 -0.800 1.00 1.34 C ATOM 529 OG1 THR A 37 9.300 -31.570 -1.004 1.00 4.23 O ATOM 530 CG2 THR A 37 11.197 -33.057 -0.858 1.00 63.12 C ATOM 0 H THR A 37 10.132 -32.731 -3.254 1.00 70.35 H new ATOM 0 HA THR A 37 9.232 -34.875 -1.630 1.00 45.14 H new ATOM 0 HB THR A 37 9.345 -33.263 0.183 1.00 1.34 H new ATOM 0 HG1 THR A 37 10.073 -30.988 -0.851 1.00 4.23 H new ATOM 0 HG21 THR A 37 11.643 -32.414 -0.099 1.00 63.12 H new ATOM 0 HG22 THR A 37 11.486 -34.092 -0.673 1.00 63.12 H new ATOM 0 HG23 THR A 37 11.549 -32.753 -1.844 1.00 63.12 H new ATOM 538 N VAL A 38 6.939 -33.634 -0.630 1.00 31.45 N ATOM 539 CA VAL A 38 5.505 -33.432 -0.462 1.00 33.32 C ATOM 540 C VAL A 38 5.212 -32.538 0.737 1.00 3.35 C ATOM 541 O VAL A 38 5.757 -32.739 1.824 1.00 61.02 O ATOM 542 CB VAL A 38 4.767 -34.772 -0.281 1.00 55.01 C ATOM 543 CG1 VAL A 38 3.313 -34.534 0.098 1.00 53.13 C ATOM 544 CG2 VAL A 38 4.866 -35.610 -1.547 1.00 51.52 C ATOM 0 H VAL A 38 7.447 -33.793 0.240 1.00 31.45 H new ATOM 0 HA VAL A 38 5.146 -32.947 -1.370 1.00 33.32 H new ATOM 0 HB VAL A 38 5.244 -35.323 0.530 1.00 55.01 H new ATOM 0 HG11 VAL A 38 2.808 -35.492 0.222 1.00 53.13 H new ATOM 0 HG12 VAL A 38 3.267 -33.976 1.033 1.00 53.13 H new ATOM 0 HG13 VAL A 38 2.821 -33.963 -0.689 1.00 53.13 H new ATOM 0 HG21 VAL A 38 4.339 -36.553 -1.401 1.00 51.52 H new ATOM 0 HG22 VAL A 38 4.416 -35.068 -2.378 1.00 51.52 H new ATOM 0 HG23 VAL A 38 5.914 -35.811 -1.770 1.00 51.52 H new ATOM 554 N LEU A 39 4.349 -31.549 0.534 1.00 33.03 N ATOM 555 CA LEU A 39 3.982 -30.622 1.600 1.00 62.24 C ATOM 556 C LEU A 39 3.144 -31.321 2.665 1.00 23.33 C ATOM 557 O LEU A 39 2.213 -32.064 2.350 1.00 3.32 O ATOM 558 CB LEU A 39 3.209 -29.434 1.025 1.00 0.10 C ATOM 559 CG LEU A 39 3.782 -28.049 1.330 1.00 64.53 C ATOM 560 CD1 LEU A 39 3.808 -27.801 2.830 1.00 51.32 C ATOM 561 CD2 LEU A 39 5.178 -27.909 0.740 1.00 41.30 C ATOM 0 H LEU A 39 3.890 -31.368 -0.359 1.00 33.03 H new ATOM 0 HA LEU A 39 4.899 -30.260 2.065 1.00 62.24 H new ATOM 0 HB2 LEU A 39 3.153 -29.552 -0.057 1.00 0.10 H new ATOM 0 HB3 LEU A 39 2.187 -29.474 1.403 1.00 0.10 H new ATOM 0 HG LEU A 39 3.137 -27.300 0.870 1.00 64.53 H new ATOM 0 HD11 LEU A 39 4.219 -26.811 3.028 1.00 51.32 H new ATOM 0 HD12 LEU A 39 2.794 -27.859 3.226 1.00 51.32 H new ATOM 0 HD13 LEU A 39 4.430 -28.555 3.313 1.00 51.32 H new ATOM 0 HD21 LEU A 39 5.571 -26.918 0.966 1.00 41.30 H new ATOM 0 HD22 LEU A 39 5.833 -28.666 1.171 1.00 41.30 H new ATOM 0 HD23 LEU A 39 5.131 -28.043 -0.341 1.00 41.30 H new ATOM 573 N LEU A 40 3.479 -31.078 3.928 1.00 43.15 N ATOM 574 CA LEU A 40 2.756 -31.682 5.041 1.00 23.21 C ATOM 575 C LEU A 40 1.252 -31.477 4.890 1.00 45.33 C ATOM 576 O LEU A 40 0.459 -32.361 5.213 1.00 44.10 O ATOM 577 CB LEU A 40 3.233 -31.087 6.367 1.00 31.13 C ATOM 578 CG LEU A 40 2.902 -31.895 7.623 1.00 42.12 C ATOM 579 CD1 LEU A 40 1.411 -31.840 7.915 1.00 32.32 C ATOM 580 CD2 LEU A 40 3.365 -33.336 7.467 1.00 74.32 C ATOM 0 H LEU A 40 4.247 -30.467 4.206 1.00 43.15 H new ATOM 0 HA LEU A 40 2.960 -32.753 5.036 1.00 23.21 H new ATOM 0 HB2 LEU A 40 4.314 -30.958 6.316 1.00 31.13 H new ATOM 0 HB3 LEU A 40 2.798 -30.093 6.474 1.00 31.13 H new ATOM 0 HG LEU A 40 3.433 -31.454 8.467 1.00 42.12 H new ATOM 0 HD11 LEU A 40 1.194 -32.420 8.812 1.00 32.32 H new ATOM 0 HD12 LEU A 40 1.109 -30.804 8.071 1.00 32.32 H new ATOM 0 HD13 LEU A 40 0.860 -32.256 7.072 1.00 32.32 H new ATOM 0 HD21 LEU A 40 3.121 -33.896 8.370 1.00 74.32 H new ATOM 0 HD22 LEU A 40 2.863 -33.789 6.612 1.00 74.32 H new ATOM 0 HD23 LEU A 40 4.443 -33.357 7.307 1.00 74.32 H new ATOM 592 N SER A 41 0.867 -30.305 4.394 1.00 25.00 N ATOM 593 CA SER A 41 -0.541 -29.983 4.201 1.00 54.42 C ATOM 594 C SER A 41 -1.222 -31.026 3.320 1.00 22.33 C ATOM 595 O SER A 41 -2.391 -31.358 3.520 1.00 61.22 O ATOM 596 CB SER A 41 -0.687 -28.595 3.572 1.00 34.34 C ATOM 597 OG SER A 41 -2.047 -28.197 3.525 1.00 24.24 O ATOM 0 H SER A 41 1.511 -29.563 4.119 1.00 25.00 H new ATOM 0 HA SER A 41 -1.025 -29.985 5.177 1.00 54.42 H new ATOM 0 HB2 SER A 41 -0.112 -27.869 4.147 1.00 34.34 H new ATOM 0 HB3 SER A 41 -0.272 -28.604 2.564 1.00 34.34 H new ATOM 0 HG SER A 41 -2.114 -27.307 3.121 1.00 24.24 H new ATOM 603 N THR A 42 -0.481 -31.542 2.344 1.00 50.51 N ATOM 604 CA THR A 42 -1.011 -32.546 1.431 1.00 32.52 C ATOM 605 C THR A 42 -1.152 -33.898 2.123 1.00 43.33 C ATOM 606 O THR A 42 -2.139 -34.607 1.927 1.00 65.24 O ATOM 607 CB THR A 42 -0.113 -32.708 0.191 1.00 63.54 C ATOM 608 OG1 THR A 42 -0.004 -31.460 -0.502 1.00 1.21 O ATOM 609 CG2 THR A 42 -0.672 -33.768 -0.748 1.00 5.53 C ATOM 0 H THR A 42 0.489 -31.280 2.166 1.00 50.51 H new ATOM 0 HA THR A 42 -1.994 -32.198 1.115 1.00 32.52 H new ATOM 0 HB THR A 42 0.875 -33.025 0.525 1.00 63.54 H new ATOM 0 HG1 THR A 42 0.570 -31.572 -1.288 1.00 1.21 H new ATOM 0 HG21 THR A 42 -0.021 -33.865 -1.617 1.00 5.53 H new ATOM 0 HG22 THR A 42 -0.726 -34.724 -0.227 1.00 5.53 H new ATOM 0 HG23 THR A 42 -1.670 -33.476 -1.074 1.00 5.53 H new ATOM 617 N VAL A 43 -0.159 -34.248 2.934 1.00 64.42 N ATOM 618 CA VAL A 43 -0.173 -35.515 3.656 1.00 4.34 C ATOM 619 C VAL A 43 -1.397 -35.619 4.559 1.00 4.54 C ATOM 620 O VAL A 43 -2.119 -36.615 4.533 1.00 75.31 O ATOM 621 CB VAL A 43 1.098 -35.688 4.510 1.00 13.21 C ATOM 622 CG1 VAL A 43 0.875 -36.732 5.594 1.00 51.24 C ATOM 623 CG2 VAL A 43 2.282 -36.063 3.632 1.00 10.02 C ATOM 0 H VAL A 43 0.665 -33.672 3.108 1.00 64.42 H new ATOM 0 HA VAL A 43 -0.209 -36.306 2.907 1.00 4.34 H new ATOM 0 HB VAL A 43 1.321 -34.738 4.995 1.00 13.21 H new ATOM 0 HG11 VAL A 43 1.783 -36.841 6.187 1.00 51.24 H new ATOM 0 HG12 VAL A 43 0.056 -36.417 6.240 1.00 51.24 H new ATOM 0 HG13 VAL A 43 0.626 -37.688 5.133 1.00 51.24 H new ATOM 0 HG21 VAL A 43 3.171 -36.181 4.251 1.00 10.02 H new ATOM 0 HG22 VAL A 43 2.071 -37.000 3.117 1.00 10.02 H new ATOM 0 HG23 VAL A 43 2.454 -35.276 2.897 1.00 10.02 H new ATOM 633 N THR A 44 -1.625 -34.581 5.359 1.00 21.54 N ATOM 634 CA THR A 44 -2.761 -34.556 6.272 1.00 51.53 C ATOM 635 C THR A 44 -4.080 -34.583 5.508 1.00 11.30 C ATOM 636 O THR A 44 -5.101 -35.031 6.029 1.00 23.41 O ATOM 637 CB THR A 44 -2.729 -33.307 7.174 1.00 62.42 C ATOM 638 OG1 THR A 44 -2.692 -32.123 6.370 1.00 3.11 O ATOM 639 CG2 THR A 44 -1.520 -33.338 8.097 1.00 32.10 C ATOM 0 H THR A 44 -1.038 -33.747 5.393 1.00 21.54 H new ATOM 0 HA THR A 44 -2.686 -35.447 6.895 1.00 51.53 H new ATOM 0 HB THR A 44 -3.632 -33.303 7.784 1.00 62.42 H new ATOM 0 HG1 THR A 44 -2.615 -32.371 5.425 1.00 3.11 H new ATOM 0 HG21 THR A 44 -1.518 -32.447 8.724 1.00 32.10 H new ATOM 0 HG22 THR A 44 -1.567 -34.226 8.728 1.00 32.10 H new ATOM 0 HG23 THR A 44 -0.608 -33.364 7.501 1.00 32.10 H new ATOM 647 N ALA A 45 -4.052 -34.100 4.270 1.00 62.30 N ATOM 648 CA ALA A 45 -5.245 -34.072 3.434 1.00 72.14 C ATOM 649 C ALA A 45 -5.945 -35.427 3.430 1.00 14.24 C ATOM 650 O ALA A 45 -7.160 -35.508 3.614 1.00 5.35 O ATOM 651 CB ALA A 45 -4.885 -33.658 2.014 1.00 34.43 C ATOM 0 H ALA A 45 -3.216 -33.723 3.824 1.00 62.30 H new ATOM 0 HA ALA A 45 -5.934 -33.338 3.852 1.00 72.14 H new ATOM 0 HB1 ALA A 45 -5.786 -33.641 1.400 1.00 34.43 H new ATOM 0 HB2 ALA A 45 -4.437 -32.665 2.027 1.00 34.43 H new ATOM 0 HB3 ALA A 45 -4.175 -34.371 1.596 1.00 34.43 H new ATOM 657 N GLN A 46 -5.172 -36.487 3.219 1.00 11.15 N ATOM 658 CA GLN A 46 -5.720 -37.838 3.191 1.00 0.10 C ATOM 659 C GLN A 46 -5.336 -38.608 4.451 1.00 53.45 C ATOM 660 O GLN A 46 -6.103 -39.437 4.942 1.00 42.54 O ATOM 661 CB GLN A 46 -5.225 -38.586 1.952 1.00 53.44 C ATOM 662 CG GLN A 46 -4.955 -37.679 0.762 1.00 55.05 C ATOM 663 CD GLN A 46 -4.406 -38.433 -0.434 1.00 14.33 C ATOM 664 OE1 GLN A 46 -4.882 -38.269 -1.558 1.00 1.44 O ATOM 665 NE2 GLN A 46 -3.399 -39.265 -0.197 1.00 74.32 N ATOM 0 H GLN A 46 -4.165 -36.437 3.065 1.00 11.15 H new ATOM 0 HA GLN A 46 -6.807 -37.761 3.151 1.00 0.10 H new ATOM 0 HB2 GLN A 46 -4.311 -39.124 2.203 1.00 53.44 H new ATOM 0 HB3 GLN A 46 -5.966 -39.333 1.668 1.00 53.44 H new ATOM 0 HG2 GLN A 46 -5.879 -37.176 0.477 1.00 55.05 H new ATOM 0 HG3 GLN A 46 -4.247 -36.904 1.054 1.00 55.05 H new ATOM 0 HE21 GLN A 46 -3.036 -39.370 0.750 1.00 74.32 H new ATOM 0 HE22 GLN A 46 -2.988 -39.800 -0.962 1.00 74.32 H new ATOM 674 N PHE A 47 -4.145 -38.328 4.969 1.00 61.22 N ATOM 675 CA PHE A 47 -3.659 -38.995 6.171 1.00 64.42 C ATOM 676 C PHE A 47 -3.518 -38.005 7.323 1.00 35.45 C ATOM 677 O PHE A 47 -2.420 -37.573 7.673 1.00 13.54 O ATOM 678 CB PHE A 47 -2.313 -39.670 5.896 1.00 2.24 C ATOM 679 CG PHE A 47 -2.200 -40.242 4.512 1.00 34.13 C ATOM 680 CD1 PHE A 47 -1.127 -39.917 3.699 1.00 40.21 C ATOM 681 CD2 PHE A 47 -3.168 -41.105 4.025 1.00 74.25 C ATOM 682 CE1 PHE A 47 -1.020 -40.442 2.425 1.00 72.12 C ATOM 683 CE2 PHE A 47 -3.067 -41.634 2.752 1.00 42.24 C ATOM 684 CZ PHE A 47 -1.992 -41.301 1.950 1.00 11.13 C ATOM 0 H PHE A 47 -3.499 -37.644 4.575 1.00 61.22 H new ATOM 0 HA PHE A 47 -4.388 -39.754 6.455 1.00 64.42 H new ATOM 0 HB2 PHE A 47 -1.514 -38.944 6.047 1.00 2.24 H new ATOM 0 HB3 PHE A 47 -2.160 -40.467 6.623 1.00 2.24 H new ATOM 0 HD1 PHE A 47 -0.365 -39.245 4.065 1.00 40.21 H new ATOM 0 HD2 PHE A 47 -4.011 -41.367 4.647 1.00 74.25 H new ATOM 0 HE1 PHE A 47 -0.178 -40.181 1.802 1.00 72.12 H new ATOM 0 HE2 PHE A 47 -3.828 -42.307 2.384 1.00 42.24 H new ATOM 0 HZ PHE A 47 -1.912 -41.711 0.954 1.00 11.13 H new ATOM 694 N PRO A 48 -4.658 -37.637 7.928 1.00 23.12 N ATOM 695 CA PRO A 48 -4.689 -36.694 9.050 1.00 33.22 C ATOM 696 C PRO A 48 -4.091 -37.286 10.322 1.00 43.03 C ATOM 697 O PRO A 48 -4.512 -38.346 10.783 1.00 41.21 O ATOM 698 CB PRO A 48 -6.183 -36.419 9.240 1.00 0.02 C ATOM 699 CG PRO A 48 -6.863 -37.628 8.697 1.00 31.23 C ATOM 700 CD PRO A 48 -6.003 -38.113 7.564 1.00 65.24 C ATOM 0 HA PRO A 48 -4.099 -35.800 8.848 1.00 33.22 H new ATOM 0 HB2 PRO A 48 -6.427 -36.266 10.291 1.00 0.02 H new ATOM 0 HB3 PRO A 48 -6.491 -35.519 8.708 1.00 0.02 H new ATOM 0 HG2 PRO A 48 -6.967 -38.395 9.464 1.00 31.23 H new ATOM 0 HG3 PRO A 48 -7.868 -37.387 8.349 1.00 31.23 H new ATOM 0 HD2 PRO A 48 -6.034 -39.199 7.473 1.00 65.24 H new ATOM 0 HD3 PRO A 48 -6.329 -37.703 6.608 1.00 65.24 H new ATOM 708 N GLY A 49 -3.105 -36.593 10.885 1.00 72.23 N ATOM 709 CA GLY A 49 -2.465 -37.066 12.098 1.00 31.02 C ATOM 710 C GLY A 49 -1.182 -37.824 11.820 1.00 74.25 C ATOM 711 O GLY A 49 -0.301 -37.902 12.675 1.00 51.11 O ATOM 0 H GLY A 49 -2.739 -35.713 10.522 1.00 72.23 H new ATOM 0 HA2 GLY A 49 -2.248 -36.216 12.746 1.00 31.02 H new ATOM 0 HA3 GLY A 49 -3.155 -37.712 12.641 1.00 31.02 H new ATOM 715 N ALA A 50 -1.078 -38.386 10.620 1.00 61.42 N ATOM 716 CA ALA A 50 0.106 -39.142 10.231 1.00 43.02 C ATOM 717 C ALA A 50 1.358 -38.273 10.297 1.00 71.35 C ATOM 718 O ALA A 50 1.663 -37.536 9.359 1.00 51.34 O ATOM 719 CB ALA A 50 -0.069 -39.714 8.832 1.00 43.02 C ATOM 0 H ALA A 50 -1.799 -38.332 9.901 1.00 61.42 H new ATOM 0 HA ALA A 50 0.229 -39.965 10.935 1.00 43.02 H new ATOM 0 HB1 ALA A 50 0.823 -40.276 8.555 1.00 43.02 H new ATOM 0 HB2 ALA A 50 -0.935 -40.376 8.815 1.00 43.02 H new ATOM 0 HB3 ALA A 50 -0.220 -38.900 8.123 1.00 43.02 H new ATOM 725 N CYS A 51 2.078 -38.365 11.409 1.00 60.01 N ATOM 726 CA CYS A 51 3.297 -37.586 11.597 1.00 15.33 C ATOM 727 C CYS A 51 4.435 -38.144 10.750 1.00 42.42 C ATOM 728 O CYS A 51 5.267 -37.395 10.239 1.00 1.10 O ATOM 729 CB CYS A 51 3.699 -37.578 13.073 1.00 70.33 C ATOM 730 SG CYS A 51 4.530 -36.063 13.604 1.00 55.42 S ATOM 0 H CYS A 51 1.839 -38.971 12.194 1.00 60.01 H new ATOM 0 HA CYS A 51 3.098 -36.563 11.277 1.00 15.33 H new ATOM 0 HB2 CYS A 51 2.807 -37.723 13.682 1.00 70.33 H new ATOM 0 HB3 CYS A 51 4.356 -38.426 13.264 1.00 70.33 H new ATOM 0 HG CYS A 51 4.828 -36.151 14.866 1.00 55.42 H new ATOM 736 N GLY A 52 4.467 -39.465 10.606 1.00 73.11 N ATOM 737 CA GLY A 52 5.509 -40.101 9.821 1.00 35.32 C ATOM 738 C GLY A 52 4.980 -41.237 8.967 1.00 13.34 C ATOM 739 O GLY A 52 4.077 -41.966 9.381 1.00 41.14 O ATOM 0 H GLY A 52 3.790 -40.106 11.019 1.00 73.11 H new ATOM 0 HA2 GLY A 52 5.981 -39.357 9.179 1.00 35.32 H new ATOM 0 HA3 GLY A 52 6.282 -40.482 10.489 1.00 35.32 H new ATOM 743 N LEU A 53 5.541 -41.387 7.773 1.00 73.23 N ATOM 744 CA LEU A 53 5.119 -42.442 6.857 1.00 41.52 C ATOM 745 C LEU A 53 6.241 -43.450 6.634 1.00 22.55 C ATOM 746 O LEU A 53 7.410 -43.080 6.529 1.00 65.03 O ATOM 747 CB LEU A 53 4.687 -41.839 5.519 1.00 71.22 C ATOM 748 CG LEU A 53 3.812 -40.587 5.598 1.00 63.45 C ATOM 749 CD1 LEU A 53 2.803 -40.712 6.728 1.00 10.43 C ATOM 750 CD2 LEU A 53 4.673 -39.346 5.782 1.00 20.24 C ATOM 0 H LEU A 53 6.289 -40.792 7.416 1.00 73.23 H new ATOM 0 HA LEU A 53 4.272 -42.962 7.305 1.00 41.52 H new ATOM 0 HB2 LEU A 53 5.582 -41.597 4.947 1.00 71.22 H new ATOM 0 HB3 LEU A 53 4.146 -42.601 4.958 1.00 71.22 H new ATOM 0 HG LEU A 53 3.265 -40.489 4.660 1.00 63.45 H new ATOM 0 HD11 LEU A 53 2.189 -39.812 6.769 1.00 10.43 H new ATOM 0 HD12 LEU A 53 2.165 -41.578 6.552 1.00 10.43 H new ATOM 0 HD13 LEU A 53 3.330 -40.835 7.674 1.00 10.43 H new ATOM 0 HD21 LEU A 53 4.034 -38.465 5.836 1.00 20.24 H new ATOM 0 HD22 LEU A 53 5.247 -39.435 6.704 1.00 20.24 H new ATOM 0 HD23 LEU A 53 5.355 -39.248 4.938 1.00 20.24 H new ATOM 762 N ARG A 54 5.877 -44.727 6.563 1.00 51.45 N ATOM 763 CA ARG A 54 6.853 -45.789 6.352 1.00 52.05 C ATOM 764 C ARG A 54 6.769 -46.329 4.927 1.00 73.30 C ATOM 765 O ARG A 54 5.791 -46.090 4.218 1.00 41.51 O ATOM 766 CB ARG A 54 6.628 -46.923 7.353 1.00 72.52 C ATOM 767 CG ARG A 54 7.862 -47.269 8.169 1.00 24.20 C ATOM 768 CD ARG A 54 7.913 -48.752 8.502 1.00 71.11 C ATOM 769 NE ARG A 54 7.771 -48.997 9.935 1.00 54.43 N ATOM 770 CZ ARG A 54 8.713 -48.711 10.826 1.00 22.51 C ATOM 771 NH1 ARG A 54 9.860 -48.174 10.434 1.00 23.31 N ATOM 772 NH2 ARG A 54 8.509 -48.963 12.113 1.00 62.31 N ATOM 0 H ARG A 54 4.913 -45.051 6.649 1.00 51.45 H new ATOM 0 HA ARG A 54 7.848 -45.370 6.505 1.00 52.05 H new ATOM 0 HB2 ARG A 54 5.821 -46.643 8.031 1.00 72.52 H new ATOM 0 HB3 ARG A 54 6.298 -47.811 6.814 1.00 72.52 H new ATOM 0 HG2 ARG A 54 8.757 -46.989 7.613 1.00 24.20 H new ATOM 0 HG3 ARG A 54 7.864 -46.688 9.091 1.00 24.20 H new ATOM 0 HD2 ARG A 54 7.119 -49.271 7.965 1.00 71.11 H new ATOM 0 HD3 ARG A 54 8.858 -49.169 8.155 1.00 71.11 H new ATOM 0 HE ARG A 54 6.901 -49.410 10.269 1.00 54.43 H new ATOM 0 HH11 ARG A 54 10.021 -47.979 9.446 1.00 23.31 H new ATOM 0 HH12 ARG A 54 10.582 -47.955 11.121 1.00 23.31 H new ATOM 0 HH21 ARG A 54 7.628 -49.377 12.418 1.00 62.31 H new ATOM 0 HH22 ARG A 54 9.233 -48.743 12.797 1.00 62.31 H new ATOM 786 N TYR A 55 7.800 -47.058 4.515 1.00 74.53 N ATOM 787 CA TYR A 55 7.844 -47.630 3.174 1.00 31.22 C ATOM 788 C TYR A 55 7.535 -49.124 3.208 1.00 14.24 C ATOM 789 O TYR A 55 8.143 -49.878 3.968 1.00 43.23 O ATOM 790 CB TYR A 55 9.217 -47.397 2.543 1.00 43.24 C ATOM 791 CG TYR A 55 9.178 -46.508 1.320 1.00 64.32 C ATOM 792 CD1 TYR A 55 8.471 -46.886 0.185 1.00 63.01 C ATOM 793 CD2 TYR A 55 9.849 -45.292 1.299 1.00 42.22 C ATOM 794 CE1 TYR A 55 8.433 -46.078 -0.935 1.00 44.10 C ATOM 795 CE2 TYR A 55 9.816 -44.477 0.184 1.00 14.31 C ATOM 796 CZ TYR A 55 9.107 -44.874 -0.930 1.00 74.13 C ATOM 797 OH TYR A 55 9.072 -44.066 -2.043 1.00 51.43 O ATOM 0 H TYR A 55 8.616 -47.267 5.090 1.00 74.53 H new ATOM 0 HA TYR A 55 7.084 -47.134 2.570 1.00 31.22 H new ATOM 0 HB2 TYR A 55 9.878 -46.950 3.286 1.00 43.24 H new ATOM 0 HB3 TYR A 55 9.650 -48.359 2.269 1.00 43.24 H new ATOM 0 HD1 TYR A 55 7.942 -47.828 0.178 1.00 63.01 H new ATOM 0 HD2 TYR A 55 10.406 -44.978 2.169 1.00 42.22 H new ATOM 0 HE1 TYR A 55 7.879 -46.387 -1.809 1.00 44.10 H new ATOM 0 HE2 TYR A 55 10.343 -43.534 0.185 1.00 14.31 H new ATOM 0 HH TYR A 55 8.294 -44.299 -2.592 1.00 51.43 H new ATOM 807 N ARG A 56 6.584 -49.544 2.380 1.00 44.34 N ATOM 808 CA ARG A 56 6.193 -50.947 2.314 1.00 13.53 C ATOM 809 C ARG A 56 6.221 -51.452 0.875 1.00 71.40 C ATOM 810 O ARG A 56 5.286 -51.225 0.108 1.00 1.14 O ATOM 811 CB ARG A 56 4.794 -51.136 2.905 1.00 5.24 C ATOM 812 CG ARG A 56 4.117 -52.424 2.466 1.00 11.54 C ATOM 813 CD ARG A 56 4.999 -53.634 2.728 1.00 71.31 C ATOM 814 NE ARG A 56 4.438 -54.854 2.153 1.00 24.20 N ATOM 815 CZ ARG A 56 4.753 -56.075 2.570 1.00 23.43 C ATOM 816 NH1 ARG A 56 5.620 -56.238 3.561 1.00 75.32 N ATOM 817 NH2 ARG A 56 4.201 -57.137 1.997 1.00 51.22 N ATOM 0 H ARG A 56 6.070 -48.933 1.746 1.00 44.34 H new ATOM 0 HA ARG A 56 6.909 -51.526 2.898 1.00 13.53 H new ATOM 0 HB2 ARG A 56 4.864 -51.124 3.993 1.00 5.24 H new ATOM 0 HB3 ARG A 56 4.170 -50.290 2.616 1.00 5.24 H new ATOM 0 HG2 ARG A 56 3.172 -52.539 2.997 1.00 11.54 H new ATOM 0 HG3 ARG A 56 3.880 -52.368 1.403 1.00 11.54 H new ATOM 0 HD2 ARG A 56 5.990 -53.458 2.309 1.00 71.31 H new ATOM 0 HD3 ARG A 56 5.126 -53.765 3.803 1.00 71.31 H new ATOM 0 HE ARG A 56 3.768 -54.763 1.390 1.00 24.20 H new ATOM 0 HH11 ARG A 56 6.046 -55.424 4.005 1.00 75.32 H new ATOM 0 HH12 ARG A 56 5.860 -57.177 3.879 1.00 75.32 H new ATOM 0 HH21 ARG A 56 3.534 -57.016 1.235 1.00 51.22 H new ATOM 0 HH22 ARG A 56 4.444 -58.074 2.318 1.00 51.22 H new ATOM 831 N ASN A 57 7.301 -52.139 0.516 1.00 74.24 N ATOM 832 CA ASN A 57 7.451 -52.676 -0.832 1.00 22.41 C ATOM 833 C ASN A 57 7.551 -54.199 -0.803 1.00 1.54 C ATOM 834 O ASN A 57 8.218 -54.785 0.050 1.00 71.41 O ATOM 835 CB ASN A 57 8.693 -52.085 -1.503 1.00 74.41 C ATOM 836 CG ASN A 57 8.428 -51.658 -2.934 1.00 62.40 C ATOM 837 OD1 ASN A 57 7.314 -51.267 -3.281 1.00 33.01 O ATOM 838 ND2 ASN A 57 9.455 -51.732 -3.773 1.00 22.33 N ATOM 0 H ASN A 57 8.084 -52.337 1.139 1.00 74.24 H new ATOM 0 HA ASN A 57 6.568 -52.398 -1.408 1.00 22.41 H new ATOM 0 HB2 ASN A 57 9.039 -51.226 -0.928 1.00 74.41 H new ATOM 0 HB3 ASN A 57 9.496 -52.822 -1.489 1.00 74.41 H new ATOM 0 HD21 ASN A 57 9.337 -51.459 -4.749 1.00 22.33 H new ATOM 0 HD22 ASN A 57 10.361 -52.062 -3.442 1.00 22.33 H new ATOM 962 N VAL A 66 9.880 -43.186 4.286 1.00 32.52 N ATOM 963 CA VAL A 66 9.757 -41.828 3.771 1.00 61.12 C ATOM 964 C VAL A 66 10.415 -40.823 4.709 1.00 1.22 C ATOM 965 O VAL A 66 10.140 -40.806 5.909 1.00 25.41 O ATOM 966 CB VAL A 66 8.281 -41.436 3.569 1.00 44.32 C ATOM 967 CG1 VAL A 66 8.171 -39.988 3.115 1.00 20.02 C ATOM 968 CG2 VAL A 66 7.614 -42.369 2.569 1.00 5.43 C ATOM 0 HA VAL A 66 10.266 -41.808 2.807 1.00 61.12 H new ATOM 0 HB VAL A 66 7.763 -41.533 4.523 1.00 44.32 H new ATOM 0 HG11 VAL A 66 7.121 -39.729 2.977 1.00 20.02 H new ATOM 0 HG12 VAL A 66 8.610 -39.336 3.870 1.00 20.02 H new ATOM 0 HG13 VAL A 66 8.703 -39.861 2.172 1.00 20.02 H new ATOM 0 HG21 VAL A 66 6.572 -42.077 2.438 1.00 5.43 H new ATOM 0 HG22 VAL A 66 8.131 -42.306 1.612 1.00 5.43 H new ATOM 0 HG23 VAL A 66 7.661 -43.393 2.940 1.00 5.43 H new ATOM 978 N ARG A 67 11.285 -39.985 4.154 1.00 32.11 N ATOM 979 CA ARG A 67 11.983 -38.976 4.942 1.00 61.23 C ATOM 980 C ARG A 67 11.063 -37.801 5.258 1.00 41.41 C ATOM 981 O ARG A 67 10.257 -37.387 4.423 1.00 2.02 O ATOM 982 CB ARG A 67 13.222 -38.481 4.193 1.00 72.33 C ATOM 983 CG ARG A 67 13.931 -37.328 4.884 1.00 61.22 C ATOM 984 CD ARG A 67 14.527 -37.758 6.215 1.00 33.33 C ATOM 985 NE ARG A 67 14.382 -36.726 7.238 1.00 23.24 N ATOM 986 CZ ARG A 67 15.016 -36.754 8.405 1.00 24.43 C ATOM 987 NH1 ARG A 67 15.834 -37.757 8.695 1.00 21.02 N ATOM 988 NH2 ARG A 67 14.833 -35.778 9.285 1.00 63.00 N ATOM 0 H ARG A 67 11.523 -39.985 3.162 1.00 32.11 H new ATOM 0 HA ARG A 67 12.293 -39.435 5.881 1.00 61.23 H new ATOM 0 HB2 ARG A 67 13.921 -39.309 4.077 1.00 72.33 H new ATOM 0 HB3 ARG A 67 12.929 -38.168 3.191 1.00 72.33 H new ATOM 0 HG2 ARG A 67 14.720 -36.945 4.237 1.00 61.22 H new ATOM 0 HG3 ARG A 67 13.227 -36.511 5.046 1.00 61.22 H new ATOM 0 HD2 ARG A 67 14.040 -38.673 6.552 1.00 33.33 H new ATOM 0 HD3 ARG A 67 15.584 -37.990 6.081 1.00 33.33 H new ATOM 0 HE ARG A 67 13.760 -35.941 7.046 1.00 23.24 H new ATOM 0 HH11 ARG A 67 15.977 -38.509 8.021 1.00 21.02 H new ATOM 0 HH12 ARG A 67 16.320 -37.776 9.592 1.00 21.02 H new ATOM 0 HH21 ARG A 67 14.205 -35.005 9.066 1.00 63.00 H new ATOM 0 HH22 ARG A 67 15.320 -35.801 10.181 1.00 63.00 H new ATOM 1002 N LEU A 68 11.188 -37.267 6.468 1.00 64.01 N ATOM 1003 CA LEU A 68 10.368 -36.139 6.895 1.00 1.13 C ATOM 1004 C LEU A 68 11.235 -35.018 7.459 1.00 42.20 C ATOM 1005 O LEU A 68 11.923 -35.196 8.464 1.00 31.24 O ATOM 1006 CB LEU A 68 9.352 -36.591 7.946 1.00 43.20 C ATOM 1007 CG LEU A 68 8.511 -35.485 8.586 1.00 64.34 C ATOM 1008 CD1 LEU A 68 9.251 -34.864 9.760 1.00 21.02 C ATOM 1009 CD2 LEU A 68 8.154 -34.423 7.556 1.00 63.42 C ATOM 0 H LEU A 68 11.849 -37.597 7.171 1.00 64.01 H new ATOM 0 HA LEU A 68 9.836 -35.758 6.023 1.00 1.13 H new ATOM 0 HB2 LEU A 68 8.677 -37.312 7.484 1.00 43.20 H new ATOM 0 HB3 LEU A 68 9.887 -37.117 8.737 1.00 43.20 H new ATOM 0 HG LEU A 68 7.587 -35.927 8.958 1.00 64.34 H new ATOM 0 HD11 LEU A 68 8.638 -34.079 10.203 1.00 21.02 H new ATOM 0 HD12 LEU A 68 9.455 -35.630 10.508 1.00 21.02 H new ATOM 0 HD13 LEU A 68 10.191 -34.437 9.412 1.00 21.02 H new ATOM 0 HD21 LEU A 68 7.556 -33.644 8.029 1.00 63.42 H new ATOM 0 HD22 LEU A 68 9.067 -33.985 7.154 1.00 63.42 H new ATOM 0 HD23 LEU A 68 7.583 -34.878 6.747 1.00 63.42 H new ATOM 1021 N VAL A 69 11.196 -33.861 6.806 1.00 41.24 N ATOM 1022 CA VAL A 69 11.976 -32.709 7.243 1.00 14.12 C ATOM 1023 C VAL A 69 11.147 -31.430 7.184 1.00 63.40 C ATOM 1024 O VAL A 69 10.590 -31.089 6.142 1.00 52.34 O ATOM 1025 CB VAL A 69 13.241 -32.528 6.384 1.00 71.22 C ATOM 1026 CG1 VAL A 69 12.890 -32.559 4.904 1.00 43.41 C ATOM 1027 CG2 VAL A 69 13.949 -31.232 6.746 1.00 45.33 C ATOM 0 H VAL A 69 10.632 -33.696 5.972 1.00 41.24 H new ATOM 0 HA VAL A 69 12.272 -32.900 8.275 1.00 14.12 H new ATOM 0 HB VAL A 69 13.920 -33.355 6.589 1.00 71.22 H new ATOM 0 HG11 VAL A 69 13.796 -32.430 4.312 1.00 43.41 H new ATOM 0 HG12 VAL A 69 12.430 -33.517 4.659 1.00 43.41 H new ATOM 0 HG13 VAL A 69 12.192 -31.753 4.679 1.00 43.41 H new ATOM 0 HG21 VAL A 69 14.841 -31.120 6.129 1.00 45.33 H new ATOM 0 HG22 VAL A 69 13.279 -30.390 6.571 1.00 45.33 H new ATOM 0 HG23 VAL A 69 14.235 -31.255 7.797 1.00 45.33 H new ATOM 1037 N GLU A 70 11.072 -30.728 8.310 1.00 41.30 N ATOM 1038 CA GLU A 70 10.311 -29.486 8.385 1.00 21.24 C ATOM 1039 C GLU A 70 8.864 -29.708 7.956 1.00 72.23 C ATOM 1040 O GLU A 70 8.202 -28.793 7.467 1.00 24.12 O ATOM 1041 CB GLU A 70 10.956 -28.412 7.507 1.00 24.30 C ATOM 1042 CG GLU A 70 12.443 -28.230 7.762 1.00 62.35 C ATOM 1043 CD GLU A 70 12.787 -26.833 8.239 1.00 14.33 C ATOM 1044 OE1 GLU A 70 13.300 -26.703 9.370 1.00 2.53 O ATOM 1045 OE2 GLU A 70 12.542 -25.870 7.483 1.00 13.32 O ATOM 0 H GLU A 70 11.528 -30.997 9.182 1.00 41.30 H new ATOM 0 HA GLU A 70 10.317 -29.149 9.421 1.00 21.24 H new ATOM 0 HB2 GLU A 70 10.805 -28.672 6.459 1.00 24.30 H new ATOM 0 HB3 GLU A 70 10.448 -27.463 7.676 1.00 24.30 H new ATOM 0 HG2 GLU A 70 12.771 -28.955 8.507 1.00 62.35 H new ATOM 0 HG3 GLU A 70 12.994 -28.443 6.846 1.00 62.35 H new ATOM 1052 N GLY A 71 8.378 -30.932 8.141 1.00 25.23 N ATOM 1053 CA GLY A 71 7.014 -31.254 7.767 1.00 14.44 C ATOM 1054 C GLY A 71 6.905 -31.745 6.338 1.00 74.14 C ATOM 1055 O GLY A 71 5.990 -32.498 6.001 1.00 1.12 O ATOM 0 H GLY A 71 8.906 -31.707 8.544 1.00 25.23 H new ATOM 0 HA2 GLY A 71 6.627 -32.018 8.441 1.00 14.44 H new ATOM 0 HA3 GLY A 71 6.388 -30.371 7.893 1.00 14.44 H new ATOM 1059 N ILE A 72 7.838 -31.318 5.494 1.00 0.21 N ATOM 1060 CA ILE A 72 7.842 -31.719 4.093 1.00 60.12 C ATOM 1061 C ILE A 72 8.437 -33.113 3.922 1.00 42.43 C ATOM 1062 O ILE A 72 9.623 -33.328 4.174 1.00 24.41 O ATOM 1063 CB ILE A 72 8.635 -30.724 3.225 1.00 71.44 C ATOM 1064 CG1 ILE A 72 8.008 -29.331 3.306 1.00 43.22 C ATOM 1065 CG2 ILE A 72 8.686 -31.205 1.782 1.00 45.41 C ATOM 1066 CD1 ILE A 72 8.930 -28.287 3.897 1.00 64.34 C ATOM 0 H ILE A 72 8.601 -30.694 5.756 1.00 0.21 H new ATOM 0 HA ILE A 72 6.803 -31.727 3.764 1.00 60.12 H new ATOM 0 HB ILE A 72 9.655 -30.665 3.605 1.00 71.44 H new ATOM 0 HG12 ILE A 72 7.710 -29.017 2.306 1.00 43.22 H new ATOM 0 HG13 ILE A 72 7.100 -29.384 3.907 1.00 43.22 H new ATOM 0 HG21 ILE A 72 9.250 -30.492 1.180 1.00 45.41 H new ATOM 0 HG22 ILE A 72 9.173 -32.179 1.740 1.00 45.41 H new ATOM 0 HG23 ILE A 72 7.672 -31.289 1.390 1.00 45.41 H new ATOM 0 HD11 ILE A 72 8.420 -27.324 3.924 1.00 64.34 H new ATOM 0 HD12 ILE A 72 9.208 -28.579 4.910 1.00 64.34 H new ATOM 0 HD13 ILE A 72 9.827 -28.205 3.284 1.00 64.34 H new ATOM 1078 N LEU A 73 7.607 -34.055 3.490 1.00 60.43 N ATOM 1079 CA LEU A 73 8.051 -35.429 3.282 1.00 21.43 C ATOM 1080 C LEU A 73 8.938 -35.534 2.046 1.00 24.10 C ATOM 1081 O LEU A 73 8.496 -35.272 0.927 1.00 33.21 O ATOM 1082 CB LEU A 73 6.845 -36.360 3.139 1.00 44.21 C ATOM 1083 CG LEU A 73 6.103 -36.700 4.432 1.00 60.54 C ATOM 1084 CD1 LEU A 73 7.053 -37.320 5.445 1.00 74.41 C ATOM 1085 CD2 LEU A 73 5.440 -35.458 5.009 1.00 24.43 C ATOM 0 H LEU A 73 6.623 -33.893 3.277 1.00 60.43 H new ATOM 0 HA LEU A 73 8.634 -35.731 4.152 1.00 21.43 H new ATOM 0 HB2 LEU A 73 6.138 -35.902 2.447 1.00 44.21 H new ATOM 0 HB3 LEU A 73 7.182 -37.290 2.681 1.00 44.21 H new ATOM 0 HG LEU A 73 5.325 -37.428 4.202 1.00 60.54 H new ATOM 0 HD11 LEU A 73 6.507 -37.555 6.359 1.00 74.41 H new ATOM 0 HD12 LEU A 73 7.480 -38.234 5.032 1.00 74.41 H new ATOM 0 HD13 LEU A 73 7.854 -36.616 5.672 1.00 74.41 H new ATOM 0 HD21 LEU A 73 4.917 -35.719 5.929 1.00 24.43 H new ATOM 0 HD22 LEU A 73 6.200 -34.707 5.224 1.00 24.43 H new ATOM 0 HD23 LEU A 73 4.728 -35.057 4.288 1.00 24.43 H new ATOM 1097 N HIS A 74 10.193 -35.921 2.255 1.00 11.23 N ATOM 1098 CA HIS A 74 11.142 -36.063 1.157 1.00 23.21 C ATOM 1099 C HIS A 74 11.036 -37.447 0.523 1.00 23.04 C ATOM 1100 O HIS A 74 10.684 -38.420 1.190 1.00 65.04 O ATOM 1101 CB HIS A 74 12.568 -35.825 1.654 1.00 45.11 C ATOM 1102 CG HIS A 74 13.331 -34.831 0.832 1.00 33.33 C ATOM 1103 ND1 HIS A 74 13.591 -35.007 -0.510 1.00 41.24 N ATOM 1104 CD2 HIS A 74 13.888 -33.645 1.170 1.00 23.12 C ATOM 1105 CE1 HIS A 74 14.277 -33.972 -0.962 1.00 65.54 C ATOM 1106 NE2 HIS A 74 14.471 -33.131 0.038 1.00 74.54 N ATOM 0 H HIS A 74 10.576 -36.142 3.174 1.00 11.23 H new ATOM 0 HA HIS A 74 10.899 -35.317 0.401 1.00 23.21 H new ATOM 0 HB2 HIS A 74 12.531 -35.478 2.687 1.00 45.11 H new ATOM 0 HB3 HIS A 74 13.106 -36.773 1.655 1.00 45.11 H new ATOM 0 HD2 HIS A 74 13.876 -33.188 2.148 1.00 23.12 H new ATOM 0 HE1 HIS A 74 14.621 -33.837 -1.977 1.00 65.54 H new ATOM 0 HE2 HIS A 74 14.972 -32.245 -0.021 1.00 74.54 H new ATOM 1114 N ALA A 75 11.342 -37.526 -0.767 1.00 62.45 N ATOM 1115 CA ALA A 75 11.283 -38.791 -1.490 1.00 55.34 C ATOM 1116 C ALA A 75 12.657 -39.447 -1.563 1.00 30.22 C ATOM 1117 O ALA A 75 13.692 -38.784 -1.504 1.00 4.42 O ATOM 1118 CB ALA A 75 10.725 -38.573 -2.889 1.00 61.03 C ATOM 0 H ALA A 75 11.633 -36.729 -1.334 1.00 62.45 H new ATOM 0 HA ALA A 75 10.618 -39.462 -0.945 1.00 55.34 H new ATOM 0 HB1 ALA A 75 10.686 -39.525 -3.418 1.00 61.03 H new ATOM 0 HB2 ALA A 75 9.720 -38.156 -2.819 1.00 61.03 H new ATOM 0 HB3 ALA A 75 11.368 -37.881 -3.434 1.00 61.03 H new ATOM 1124 N PRO A 76 12.670 -40.782 -1.693 1.00 70.10 N ATOM 1125 CA PRO A 76 13.911 -41.557 -1.776 1.00 64.30 C ATOM 1126 C PRO A 76 14.654 -41.324 -3.087 1.00 71.13 C ATOM 1127 O PRO A 76 14.262 -40.478 -3.891 1.00 44.13 O ATOM 1128 CB PRO A 76 13.431 -43.008 -1.684 1.00 54.34 C ATOM 1129 CG PRO A 76 12.027 -42.974 -2.182 1.00 12.41 C ATOM 1130 CD PRO A 76 11.474 -41.637 -1.770 1.00 32.42 C ATOM 0 HA PRO A 76 14.618 -41.277 -0.995 1.00 64.30 H new ATOM 0 HB2 PRO A 76 14.050 -43.669 -2.290 1.00 54.34 H new ATOM 0 HB3 PRO A 76 13.479 -43.377 -0.659 1.00 54.34 H new ATOM 0 HG2 PRO A 76 11.994 -43.093 -3.265 1.00 12.41 H new ATOM 0 HG3 PRO A 76 11.441 -43.787 -1.754 1.00 12.41 H new ATOM 0 HD2 PRO A 76 10.755 -41.258 -2.497 1.00 32.42 H new ATOM 0 HD3 PRO A 76 10.958 -41.694 -0.811 1.00 32.42 H new ATOM 1138 N ASP A 77 15.726 -42.079 -3.297 1.00 23.52 N ATOM 1139 CA ASP A 77 16.523 -41.956 -4.512 1.00 50.10 C ATOM 1140 C ASP A 77 15.848 -42.669 -5.679 1.00 55.35 C ATOM 1141 O ASP A 77 16.338 -42.635 -6.808 1.00 12.33 O ATOM 1142 CB ASP A 77 17.923 -42.529 -4.290 1.00 24.22 C ATOM 1143 CG ASP A 77 18.975 -41.447 -4.143 1.00 23.31 C ATOM 1144 OD1 ASP A 77 20.133 -41.686 -4.548 1.00 13.33 O ATOM 1145 OD2 ASP A 77 18.641 -40.362 -3.624 1.00 50.12 O ATOM 0 H ASP A 77 16.064 -42.783 -2.641 1.00 23.52 H new ATOM 0 HA ASP A 77 16.607 -40.897 -4.756 1.00 50.10 H new ATOM 0 HB2 ASP A 77 17.920 -43.152 -3.396 1.00 24.22 H new ATOM 0 HB3 ASP A 77 18.185 -43.175 -5.128 1.00 24.22 H new ATOM 1150 N ALA A 78 14.720 -43.314 -5.400 1.00 21.35 N ATOM 1151 CA ALA A 78 13.977 -44.034 -6.426 1.00 61.42 C ATOM 1152 C ALA A 78 12.663 -43.331 -6.748 1.00 42.53 C ATOM 1153 O ALA A 78 12.115 -43.487 -7.838 1.00 72.24 O ATOM 1154 CB ALA A 78 13.716 -45.466 -5.982 1.00 61.25 C ATOM 0 H ALA A 78 14.301 -43.352 -4.471 1.00 21.35 H new ATOM 0 HA ALA A 78 14.582 -44.050 -7.333 1.00 61.42 H new ATOM 0 HB1 ALA A 78 13.160 -45.992 -6.758 1.00 61.25 H new ATOM 0 HB2 ALA A 78 14.666 -45.972 -5.809 1.00 61.25 H new ATOM 0 HB3 ALA A 78 13.135 -45.461 -5.060 1.00 61.25 H new ATOM 1160 N GLY A 79 12.163 -42.555 -5.792 1.00 14.54 N ATOM 1161 CA GLY A 79 10.916 -41.839 -5.993 1.00 62.02 C ATOM 1162 C GLY A 79 9.806 -42.343 -5.092 1.00 61.25 C ATOM 1163 O GLY A 79 10.002 -43.283 -4.322 1.00 73.22 O ATOM 0 H GLY A 79 12.599 -42.409 -4.881 1.00 14.54 H new ATOM 0 HA2 GLY A 79 11.076 -40.777 -5.807 1.00 62.02 H new ATOM 0 HA3 GLY A 79 10.608 -41.938 -7.034 1.00 62.02 H new ATOM 1167 N TRP A 80 8.639 -41.717 -5.188 1.00 2.55 N ATOM 1168 CA TRP A 80 7.494 -42.107 -4.373 1.00 11.51 C ATOM 1169 C TRP A 80 7.017 -43.508 -4.739 1.00 5.21 C ATOM 1170 O TRP A 80 6.987 -44.403 -3.896 1.00 24.40 O ATOM 1171 CB TRP A 80 6.352 -41.104 -4.549 1.00 30.14 C ATOM 1172 CG TRP A 80 6.641 -39.763 -3.945 1.00 34.13 C ATOM 1173 CD1 TRP A 80 6.716 -38.568 -4.601 1.00 50.20 C ATOM 1174 CD2 TRP A 80 6.894 -39.482 -2.564 1.00 42.30 C ATOM 1175 NE1 TRP A 80 7.001 -37.560 -3.711 1.00 62.24 N ATOM 1176 CE2 TRP A 80 7.114 -38.095 -2.455 1.00 44.42 C ATOM 1177 CE3 TRP A 80 6.955 -40.266 -1.409 1.00 14.21 C ATOM 1178 CZ2 TRP A 80 7.391 -37.478 -1.238 1.00 23.52 C ATOM 1179 CZ3 TRP A 80 7.230 -39.653 -0.201 1.00 52.24 C ATOM 1180 CH2 TRP A 80 7.445 -38.270 -0.123 1.00 34.30 C ATOM 0 H TRP A 80 8.460 -40.938 -5.821 1.00 2.55 H new ATOM 0 HA TRP A 80 7.807 -42.112 -3.329 1.00 11.51 H new ATOM 0 HB2 TRP A 80 6.148 -40.979 -5.612 1.00 30.14 H new ATOM 0 HB3 TRP A 80 5.448 -41.511 -4.097 1.00 30.14 H new ATOM 0 HD1 TRP A 80 6.573 -38.434 -5.663 1.00 50.20 H new ATOM 0 HE1 TRP A 80 7.111 -36.574 -3.947 1.00 62.24 H new ATOM 0 HE3 TRP A 80 6.790 -41.332 -1.459 1.00 14.21 H new ATOM 0 HZ2 TRP A 80 7.557 -36.413 -1.176 1.00 23.52 H new ATOM 0 HZ3 TRP A 80 7.280 -40.250 0.698 1.00 52.24 H new ATOM 0 HH2 TRP A 80 7.657 -37.821 0.836 1.00 34.30 H new ATOM 1191 N GLY A 81 6.646 -43.691 -6.002 1.00 53.04 N ATOM 1192 CA GLY A 81 6.176 -44.987 -6.457 1.00 13.40 C ATOM 1193 C GLY A 81 4.699 -45.196 -6.185 1.00 23.02 C ATOM 1194 O GLY A 81 3.974 -44.245 -5.897 1.00 75.34 O ATOM 0 H GLY A 81 6.662 -42.965 -6.719 1.00 53.04 H new ATOM 0 HA2 GLY A 81 6.362 -45.083 -7.527 1.00 13.40 H new ATOM 0 HA3 GLY A 81 6.748 -45.772 -5.962 1.00 13.40 H new ATOM 1198 N ASN A 82 4.253 -46.445 -6.277 1.00 45.31 N ATOM 1199 CA ASN A 82 2.853 -46.776 -6.041 1.00 11.42 C ATOM 1200 C ASN A 82 2.725 -47.900 -5.017 1.00 52.24 C ATOM 1201 O ASN A 82 1.820 -48.731 -5.102 1.00 61.53 O ATOM 1202 CB ASN A 82 2.176 -47.184 -7.351 1.00 14.53 C ATOM 1203 CG ASN A 82 2.727 -46.430 -8.546 1.00 30.23 C ATOM 1204 OD1 ASN A 82 2.318 -45.176 -8.694 1.00 12.13 O flip ATOM 1205 ND2 ASN A 82 3.512 -46.970 -9.326 1.00 54.43 N flip ATOM 0 H ASN A 82 4.841 -47.244 -6.513 1.00 45.31 H new ATOM 0 HA ASN A 82 2.357 -45.890 -5.645 1.00 11.42 H new ATOM 0 HB2 ASN A 82 2.309 -48.254 -7.507 1.00 14.53 H new ATOM 0 HB3 ASN A 82 1.104 -47.004 -7.274 1.00 14.53 H new ATOM 0 HD21 ASN A 82 3.799 -47.937 -9.173 1.00 54.43 H new ATOM 0 HD22 ASN A 82 3.875 -46.451 -10.125 1.00 54.43 H new ATOM 1212 N LEU A 83 3.635 -47.919 -4.050 1.00 44.44 N ATOM 1213 CA LEU A 83 3.625 -48.940 -3.009 1.00 74.10 C ATOM 1214 C LEU A 83 2.778 -48.497 -1.820 1.00 42.20 C ATOM 1215 O LEU A 83 2.151 -47.438 -1.851 1.00 50.04 O ATOM 1216 CB LEU A 83 5.052 -49.243 -2.549 1.00 52.41 C ATOM 1217 CG LEU A 83 5.955 -48.030 -2.322 1.00 0.10 C ATOM 1218 CD1 LEU A 83 6.548 -47.552 -3.638 1.00 63.13 C ATOM 1219 CD2 LEU A 83 5.181 -46.908 -1.645 1.00 43.11 C ATOM 0 H LEU A 83 4.390 -47.238 -3.965 1.00 44.44 H new ATOM 0 HA LEU A 83 3.186 -49.846 -3.427 1.00 74.10 H new ATOM 0 HB2 LEU A 83 5.000 -49.811 -1.620 1.00 52.41 H new ATOM 0 HB3 LEU A 83 5.523 -49.888 -3.291 1.00 52.41 H new ATOM 0 HG LEU A 83 6.773 -48.328 -1.666 1.00 0.10 H new ATOM 0 HD11 LEU A 83 7.188 -46.688 -3.456 1.00 63.13 H new ATOM 0 HD12 LEU A 83 7.138 -48.353 -4.084 1.00 63.13 H new ATOM 0 HD13 LEU A 83 5.744 -47.272 -4.319 1.00 63.13 H new ATOM 0 HD21 LEU A 83 5.839 -46.053 -1.491 1.00 43.11 H new ATOM 0 HD22 LEU A 83 4.343 -46.612 -2.276 1.00 43.11 H new ATOM 0 HD23 LEU A 83 4.806 -47.254 -0.682 1.00 43.11 H new ATOM 1231 N VAL A 84 2.767 -49.313 -0.771 1.00 72.31 N ATOM 1232 CA VAL A 84 2.000 -49.004 0.430 1.00 24.11 C ATOM 1233 C VAL A 84 2.867 -48.302 1.469 1.00 1.13 C ATOM 1234 O VAL A 84 4.094 -48.393 1.434 1.00 64.44 O ATOM 1235 CB VAL A 84 1.398 -50.277 1.055 1.00 44.31 C ATOM 1236 CG1 VAL A 84 0.335 -49.916 2.081 1.00 23.34 C ATOM 1237 CG2 VAL A 84 0.823 -51.180 -0.026 1.00 3.41 C ATOM 0 H VAL A 84 3.281 -50.193 -0.728 1.00 72.31 H new ATOM 0 HA VAL A 84 1.191 -48.340 0.127 1.00 24.11 H new ATOM 0 HB VAL A 84 2.192 -50.821 1.566 1.00 44.31 H new ATOM 0 HG11 VAL A 84 -0.079 -50.828 2.512 1.00 23.34 H new ATOM 0 HG12 VAL A 84 0.782 -49.312 2.871 1.00 23.34 H new ATOM 0 HG13 VAL A 84 -0.461 -49.350 1.597 1.00 23.34 H new ATOM 0 HG21 VAL A 84 0.402 -52.074 0.433 1.00 3.41 H new ATOM 0 HG22 VAL A 84 0.041 -50.647 -0.567 1.00 3.41 H new ATOM 0 HG23 VAL A 84 1.614 -51.466 -0.720 1.00 3.41 H new ATOM 1247 N TYR A 85 2.221 -47.602 2.395 1.00 52.54 N ATOM 1248 CA TYR A 85 2.933 -46.882 3.444 1.00 55.41 C ATOM 1249 C TYR A 85 2.278 -47.112 4.803 1.00 43.02 C ATOM 1250 O TYR A 85 1.063 -47.285 4.899 1.00 42.22 O ATOM 1251 CB TYR A 85 2.969 -45.385 3.130 1.00 12.11 C ATOM 1252 CG TYR A 85 1.924 -44.585 3.875 1.00 41.42 C ATOM 1253 CD1 TYR A 85 0.725 -44.235 3.267 1.00 74.45 C ATOM 1254 CD2 TYR A 85 2.137 -44.177 5.186 1.00 52.23 C ATOM 1255 CE1 TYR A 85 -0.233 -43.504 3.943 1.00 44.24 C ATOM 1256 CE2 TYR A 85 1.185 -43.446 5.870 1.00 72.21 C ATOM 1257 CZ TYR A 85 0.002 -43.112 5.244 1.00 11.01 C ATOM 1258 OH TYR A 85 -0.948 -42.383 5.922 1.00 74.13 O ATOM 0 H TYR A 85 1.205 -47.518 2.440 1.00 52.54 H new ATOM 0 HA TYR A 85 3.953 -47.263 3.483 1.00 55.41 H new ATOM 0 HB2 TYR A 85 3.957 -44.994 3.375 1.00 12.11 H new ATOM 0 HB3 TYR A 85 2.827 -45.243 2.059 1.00 12.11 H new ATOM 0 HD1 TYR A 85 0.538 -44.540 2.248 1.00 74.45 H new ATOM 0 HD2 TYR A 85 3.063 -44.436 5.679 1.00 52.23 H new ATOM 0 HE1 TYR A 85 -1.160 -43.241 3.455 1.00 44.24 H new ATOM 0 HE2 TYR A 85 1.366 -43.138 6.889 1.00 72.21 H new ATOM 0 HH TYR A 85 -1.621 -42.054 5.290 1.00 74.13 H new ATOM 1268 N VAL A 86 3.094 -47.112 5.852 1.00 31.45 N ATOM 1269 CA VAL A 86 2.596 -47.320 7.207 1.00 2.52 C ATOM 1270 C VAL A 86 2.637 -46.025 8.011 1.00 30.05 C ATOM 1271 O VAL A 86 3.663 -45.347 8.066 1.00 24.53 O ATOM 1272 CB VAL A 86 3.413 -48.396 7.946 1.00 35.35 C ATOM 1273 CG1 VAL A 86 2.839 -48.642 9.334 1.00 63.42 C ATOM 1274 CG2 VAL A 86 3.448 -49.685 7.139 1.00 23.01 C ATOM 0 H VAL A 86 4.102 -46.970 5.790 1.00 31.45 H new ATOM 0 HA VAL A 86 1.563 -47.657 7.117 1.00 2.52 H new ATOM 0 HB VAL A 86 4.436 -48.037 8.060 1.00 35.35 H new ATOM 0 HG11 VAL A 86 3.429 -49.405 9.842 1.00 63.42 H new ATOM 0 HG12 VAL A 86 2.870 -47.717 9.910 1.00 63.42 H new ATOM 0 HG13 VAL A 86 1.807 -48.980 9.246 1.00 63.42 H new ATOM 0 HG21 VAL A 86 4.029 -50.435 7.676 1.00 23.01 H new ATOM 0 HG22 VAL A 86 2.432 -50.050 6.993 1.00 23.01 H new ATOM 0 HG23 VAL A 86 3.908 -49.495 6.169 1.00 23.01 H new ATOM 1284 N VAL A 87 1.513 -45.687 8.636 1.00 41.14 N ATOM 1285 CA VAL A 87 1.420 -44.474 9.439 1.00 1.12 C ATOM 1286 C VAL A 87 2.181 -44.625 10.752 1.00 53.31 C ATOM 1287 O VAL A 87 2.204 -45.701 11.347 1.00 13.14 O ATOM 1288 CB VAL A 87 -0.046 -44.115 9.746 1.00 20.14 C ATOM 1289 CG1 VAL A 87 -0.745 -43.607 8.495 1.00 41.42 C ATOM 1290 CG2 VAL A 87 -0.778 -45.317 10.325 1.00 50.40 C ATOM 0 H VAL A 87 0.654 -46.237 8.601 1.00 41.14 H new ATOM 0 HA VAL A 87 1.867 -43.671 8.853 1.00 1.12 H new ATOM 0 HB VAL A 87 -0.059 -43.317 10.489 1.00 20.14 H new ATOM 0 HG11 VAL A 87 -1.780 -43.359 8.732 1.00 41.42 H new ATOM 0 HG12 VAL A 87 -0.233 -42.717 8.128 1.00 41.42 H new ATOM 0 HG13 VAL A 87 -0.724 -44.380 7.727 1.00 41.42 H new ATOM 0 HG21 VAL A 87 -1.812 -45.046 10.536 1.00 50.40 H new ATOM 0 HG22 VAL A 87 -0.757 -46.136 9.607 1.00 50.40 H new ATOM 0 HG23 VAL A 87 -0.290 -45.631 11.248 1.00 50.40 H new ATOM 1300 N ASN A 88 2.802 -43.538 11.198 1.00 41.44 N ATOM 1301 CA ASN A 88 3.564 -43.549 12.441 1.00 45.32 C ATOM 1302 C ASN A 88 3.481 -42.196 13.142 1.00 32.53 C ATOM 1303 O ASN A 88 3.404 -41.153 12.494 1.00 42.42 O ATOM 1304 CB ASN A 88 5.027 -43.902 12.163 1.00 30.33 C ATOM 1305 CG ASN A 88 5.176 -44.895 11.027 1.00 22.51 C ATOM 1306 OD1 ASN A 88 5.600 -44.408 9.867 1.00 42.02 O flip ATOM 1307 ND2 ASN A 88 4.913 -46.087 11.191 1.00 4.21 N flip ATOM 0 H ASN A 88 2.792 -42.639 10.717 1.00 41.44 H new ATOM 0 HA ASN A 88 3.132 -44.305 13.096 1.00 45.32 H new ATOM 0 HB2 ASN A 88 5.578 -42.993 11.922 1.00 30.33 H new ATOM 0 HB3 ASN A 88 5.476 -44.317 13.066 1.00 30.33 H new ATOM 0 HD21 ASN A 88 4.590 -46.418 12.100 1.00 4.21 H new ATOM 0 HD22 ASN A 88 5.018 -46.744 10.418 1.00 4.21 H new