USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= -1.59 K(o=-3.5,f=-6) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.92 K(o=-3.5,f=-9!) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -127:sc= -1.13 (180deg=-5.17!) USER MOD Set 2.2: A 62 GLN :FLIP amide:sc= 0.00216 F(o=-2,f=-1.1) USER MOD Set 3.1: A 30 MET CE :methyl 169:sc= -0.739 (180deg=-1.86) USER MOD Set 3.2: A 44 MET CE :methyl -115:sc= -0.713 (180deg=-0.713) USER MOD Single : A 16 THR OG1 : rot 47:sc= 0.92 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -6:sc= 0.938 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 43 SER OG : rot 150:sc= -0.0826 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 46 ASN : amide:sc= -0.624 X(o=-0.62,f=-0.55) USER MOD Single : A 51 ASN : amide:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 54 THR OG1 : rot 65:sc= 0.397 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.014) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 15:sc= 0.216 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -114:sc= -0.264 (180deg=-0.772) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -155:sc= -3.68! (180deg=-6.09!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.949 -2.085 -5.020 1.00 0.00 N ATOM 191 CA THR A 16 -10.793 -1.017 -4.499 1.00 0.00 C ATOM 192 C THR A 16 -11.667 -1.515 -3.354 1.00 0.00 C ATOM 193 O THR A 16 -12.729 -2.097 -3.579 1.00 0.00 O ATOM 194 CB THR A 16 -11.695 -0.427 -5.600 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.531 -1.451 -6.149 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.860 0.201 -6.705 1.00 0.00 C ATOM 0 HA THR A 16 -10.126 -0.238 -4.130 1.00 0.00 H new ATOM 0 HB THR A 16 -12.317 0.348 -5.153 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.938 -1.966 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.519 0.611 -7.471 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.247 1.000 -6.288 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.215 -0.557 -7.149 1.00 0.00 H new ATOM 204 N ILE A 17 -11.215 -1.282 -2.127 1.00 0.00 N ATOM 205 CA ILE A 17 -11.958 -1.706 -0.946 1.00 0.00 C ATOM 206 C ILE A 17 -12.101 -0.563 0.053 1.00 0.00 C ATOM 207 O ILE A 17 -11.108 -0.018 0.535 1.00 0.00 O ATOM 208 CB ILE A 17 -11.275 -2.898 -0.250 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.184 -4.090 -1.205 1.00 0.00 C ATOM 210 CG2 ILE A 17 -12.035 -3.281 1.011 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.081 -5.064 -0.852 1.00 0.00 C ATOM 0 H ILE A 17 -10.338 -0.802 -1.924 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.947 -2.012 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.264 -2.604 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.138 -4.618 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.022 -3.722 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.540 -4.125 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.054 -2.433 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.056 -3.560 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.075 -5.883 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.120 -4.551 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.252 -5.461 0.149 1.00 0.00 H new ATOM 223 N ILE A 18 -13.344 -0.206 0.360 1.00 0.00 N ATOM 224 CA ILE A 18 -13.617 0.871 1.304 1.00 0.00 C ATOM 225 C ILE A 18 -13.806 0.328 2.717 1.00 0.00 C ATOM 226 O ILE A 18 -14.571 -0.612 2.935 1.00 0.00 O ATOM 227 CB ILE A 18 -14.872 1.668 0.901 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.714 2.228 -0.514 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.128 2.791 1.895 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.515 3.137 -0.674 1.00 0.00 C ATOM 0 H ILE A 18 -14.177 -0.646 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.753 1.535 1.284 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.730 0.996 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.628 1.399 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.616 2.779 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.018 3.345 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.279 2.370 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.271 3.464 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.466 3.497 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.609 3.986 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.605 2.584 -0.439 1.00 0.00 H new ATOM 242 N LEU A 19 -13.105 0.928 3.673 1.00 0.00 N ATOM 243 CA LEU A 19 -13.197 0.506 5.067 1.00 0.00 C ATOM 244 C LEU A 19 -14.168 1.391 5.841 1.00 0.00 C ATOM 245 O LEU A 19 -14.164 2.616 5.717 1.00 0.00 O ATOM 246 CB LEU A 19 -11.816 0.548 5.724 1.00 0.00 C ATOM 247 CG LEU A 19 -11.606 -0.400 6.905 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.683 -1.848 6.446 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.271 -0.123 7.580 1.00 0.00 C ATOM 0 H LEU A 19 -12.467 1.707 3.509 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.572 -0.517 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.067 0.322 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.628 1.567 6.064 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.400 -0.227 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.531 -2.509 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.663 -2.039 6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.910 -2.035 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.138 -0.807 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.463 -0.268 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.253 0.904 7.944 1.00 0.00 H new ATOM 261 N PRO A 20 -15.020 0.759 6.661 1.00 0.00 N ATOM 262 CA PRO A 20 -16.012 1.470 7.474 1.00 0.00 C ATOM 263 C PRO A 20 -15.370 2.273 8.600 1.00 0.00 C ATOM 264 O PRO A 20 -14.146 2.340 8.707 1.00 0.00 O ATOM 265 CB PRO A 20 -16.875 0.343 8.046 1.00 0.00 C ATOM 266 CG PRO A 20 -15.985 -0.852 8.051 1.00 0.00 C ATOM 267 CD PRO A 20 -15.081 -0.699 6.859 1.00 0.00 C ATOM 0 HA PRO A 20 -16.572 2.199 6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.222 0.582 9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.761 0.174 7.434 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.408 -0.905 8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.566 -1.772 7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.094 -1.121 7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.483 -1.207 5.982 1.00 0.00 H new ATOM 275 N GLU A 21 -16.204 2.880 9.438 1.00 0.00 N ATOM 276 CA GLU A 21 -15.716 3.678 10.556 1.00 0.00 C ATOM 277 C GLU A 21 -15.626 2.838 11.827 1.00 0.00 C ATOM 278 O GLU A 21 -15.505 3.372 12.930 1.00 0.00 O ATOM 279 CB GLU A 21 -16.632 4.881 10.791 1.00 0.00 C ATOM 280 CG GLU A 21 -18.065 4.499 11.123 1.00 0.00 C ATOM 281 CD GLU A 21 -18.919 5.698 11.488 1.00 0.00 C ATOM 282 OE1 GLU A 21 -18.969 6.050 12.685 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.538 6.284 10.575 1.00 0.00 O ATOM 0 H GLU A 21 -17.220 2.834 9.364 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.717 4.034 10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.227 5.482 11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.629 5.509 9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.508 3.989 10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.066 3.791 11.952 1.00 0.00 H new ATOM 290 N ASP A 22 -15.686 1.521 11.663 1.00 0.00 N ATOM 291 CA ASP A 22 -15.611 0.606 12.796 1.00 0.00 C ATOM 292 C ASP A 22 -14.218 -0.005 12.910 1.00 0.00 C ATOM 293 O ASP A 22 -13.894 -0.656 13.903 1.00 0.00 O ATOM 294 CB ASP A 22 -16.657 -0.502 12.655 1.00 0.00 C ATOM 295 CG ASP A 22 -16.705 -1.411 13.867 1.00 0.00 C ATOM 296 OD1 ASP A 22 -15.899 -2.363 13.926 1.00 0.00 O ATOM 297 OD2 ASP A 22 -17.549 -1.170 14.756 1.00 0.00 O ATOM 0 H ASP A 22 -15.786 1.063 10.757 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.815 1.174 13.704 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.639 -0.053 12.502 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.436 -1.096 11.768 1.00 0.00 H new ATOM 302 N ILE A 23 -13.398 0.209 11.886 1.00 0.00 N ATOM 303 CA ILE A 23 -12.040 -0.320 11.871 1.00 0.00 C ATOM 304 C ILE A 23 -11.028 0.751 12.263 1.00 0.00 C ATOM 305 O ILE A 23 -11.225 1.934 11.986 1.00 0.00 O ATOM 306 CB ILE A 23 -11.669 -0.879 10.485 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.921 -1.376 9.759 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.650 -2.001 10.622 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.817 -2.239 10.620 1.00 0.00 C ATOM 0 H ILE A 23 -13.651 0.745 11.056 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.009 -1.130 12.600 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.223 -0.079 9.895 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.490 -0.517 9.404 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.619 -1.944 8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.398 -2.386 9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.750 -1.618 11.103 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.072 -2.804 11.227 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.684 -2.555 10.040 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.264 -3.117 10.954 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.149 -1.668 11.487 1.00 0.00 H new ATOM 321 N GLU A 24 -9.945 0.328 12.907 1.00 0.00 N ATOM 322 CA GLU A 24 -8.902 1.252 13.335 1.00 0.00 C ATOM 323 C GLU A 24 -7.704 1.194 12.392 1.00 0.00 C ATOM 324 O GLU A 24 -7.005 0.182 12.318 1.00 0.00 O ATOM 325 CB GLU A 24 -8.457 0.927 14.763 1.00 0.00 C ATOM 326 CG GLU A 24 -7.135 1.570 15.149 1.00 0.00 C ATOM 327 CD GLU A 24 -6.811 1.397 16.620 1.00 0.00 C ATOM 328 OE1 GLU A 24 -7.711 1.621 17.456 1.00 0.00 O ATOM 329 OE2 GLU A 24 -5.658 1.037 16.936 1.00 0.00 O ATOM 0 H GLU A 24 -9.767 -0.648 13.144 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.313 2.261 13.311 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.229 1.256 15.459 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.371 -0.154 14.871 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.335 1.134 14.551 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.169 2.633 14.911 1.00 0.00 H new ATOM 336 N LEU A 25 -7.472 2.286 11.672 1.00 0.00 N ATOM 337 CA LEU A 25 -6.359 2.362 10.733 1.00 0.00 C ATOM 338 C LEU A 25 -5.105 2.900 11.415 1.00 0.00 C ATOM 339 O LEU A 25 -5.031 4.079 11.762 1.00 0.00 O ATOM 340 CB LEU A 25 -6.728 3.252 9.544 1.00 0.00 C ATOM 341 CG LEU A 25 -7.705 2.650 8.533 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.071 3.674 7.471 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.111 1.404 7.894 1.00 0.00 C ATOM 0 H LEU A 25 -8.040 3.132 11.721 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.151 1.354 10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.158 4.177 9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.812 3.520 9.018 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.615 2.364 9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.767 3.228 6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.539 4.537 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.170 3.992 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.820 0.989 7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.186 1.665 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.901 0.664 8.666 1.00 0.00 H new ATOM 355 N LYS A 26 -4.120 2.028 11.604 1.00 0.00 N ATOM 356 CA LYS A 26 -2.868 2.415 12.242 1.00 0.00 C ATOM 357 C LYS A 26 -1.893 2.992 11.221 1.00 0.00 C ATOM 358 O LYS A 26 -1.809 2.536 10.080 1.00 0.00 O ATOM 359 CB LYS A 26 -2.235 1.211 12.943 1.00 0.00 C ATOM 360 CG LYS A 26 -3.032 0.715 14.138 1.00 0.00 C ATOM 361 CD LYS A 26 -2.854 -0.780 14.345 1.00 0.00 C ATOM 362 CE LYS A 26 -3.873 -1.578 13.546 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.631 -3.044 13.646 1.00 0.00 N ATOM 0 H LYS A 26 -4.165 1.048 11.324 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.089 3.184 12.982 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.128 0.398 12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.231 1.479 13.272 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.715 1.248 15.035 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.088 0.940 13.991 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.847 -1.072 14.047 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.955 -1.016 15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.876 -1.350 13.906 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.833 -1.274 12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.346 -3.553 13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.684 -3.265 13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.694 -3.339 14.641 1.00 0.00 H new ATOM 377 N PRO A 27 -1.136 4.018 11.638 1.00 0.00 N ATOM 378 CA PRO A 27 -0.151 4.677 10.775 1.00 0.00 C ATOM 379 C PRO A 27 1.049 3.785 10.478 1.00 0.00 C ATOM 380 O PRO A 27 2.003 3.731 11.255 1.00 0.00 O ATOM 381 CB PRO A 27 0.279 5.896 11.595 1.00 0.00 C ATOM 382 CG PRO A 27 0.024 5.510 13.011 1.00 0.00 C ATOM 383 CD PRO A 27 -1.182 4.613 12.984 1.00 0.00 C ATOM 0 HA PRO A 27 -0.567 4.927 9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.331 6.131 11.432 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.293 6.782 11.317 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.885 4.994 13.436 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.157 6.390 13.629 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.133 3.851 13.762 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.103 5.173 13.144 1.00 0.00 H new ATOM 391 N LEU A 28 0.996 3.086 9.349 1.00 0.00 N ATOM 392 CA LEU A 28 2.080 2.196 8.948 1.00 0.00 C ATOM 393 C LEU A 28 3.352 2.985 8.653 1.00 0.00 C ATOM 394 O LEU A 28 4.445 2.592 9.056 1.00 0.00 O ATOM 395 CB LEU A 28 1.672 1.385 7.717 1.00 0.00 C ATOM 396 CG LEU A 28 2.814 0.892 6.829 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.378 -0.323 6.024 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.291 2.003 5.906 1.00 0.00 C ATOM 0 H LEU A 28 0.214 3.119 8.695 1.00 0.00 H new ATOM 0 HA LEU A 28 2.281 1.514 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.098 0.520 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.004 1.996 7.110 1.00 0.00 H new ATOM 0 HG LEU A 28 3.646 0.598 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.204 -0.660 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.087 -1.124 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.530 -0.056 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.104 1.633 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.466 2.329 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.645 2.844 6.502 1.00 0.00 H new ATOM 410 N GLY A 29 3.199 4.102 7.949 1.00 0.00 N ATOM 411 CA GLY A 29 4.343 4.930 7.614 1.00 0.00 C ATOM 412 C GLY A 29 3.986 6.054 6.661 1.00 0.00 C ATOM 413 O GLY A 29 2.847 6.517 6.636 1.00 0.00 O ATOM 0 H GLY A 29 2.304 4.448 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.762 5.352 8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.118 4.309 7.165 1.00 0.00 H new ATOM 417 N MET A 30 4.964 6.494 5.875 1.00 0.00 N ATOM 418 CA MET A 30 4.747 7.571 4.917 1.00 0.00 C ATOM 419 C MET A 30 5.580 7.354 3.657 1.00 0.00 C ATOM 420 O MET A 30 6.686 6.818 3.718 1.00 0.00 O ATOM 421 CB MET A 30 5.095 8.921 5.546 1.00 0.00 C ATOM 422 CG MET A 30 4.290 10.081 4.982 1.00 0.00 C ATOM 423 SD MET A 30 4.624 11.636 5.831 1.00 0.00 S ATOM 424 CE MET A 30 6.333 11.398 6.314 1.00 0.00 C ATOM 0 H MET A 30 5.913 6.121 5.883 1.00 0.00 H new ATOM 0 HA MET A 30 3.693 7.569 4.640 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.930 8.864 6.622 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.156 9.119 5.396 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.517 10.194 3.922 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.227 9.851 5.058 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.744 12.341 6.674 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.386 10.652 7.107 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.910 11.056 5.455 1.00 0.00 H new ATOM 434 N VAL A 31 5.040 7.774 2.517 1.00 0.00 N ATOM 435 CA VAL A 31 5.735 7.626 1.243 1.00 0.00 C ATOM 436 C VAL A 31 7.165 8.146 1.333 1.00 0.00 C ATOM 437 O VAL A 31 7.418 9.199 1.918 1.00 0.00 O ATOM 438 CB VAL A 31 4.999 8.371 0.113 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.832 8.367 -1.159 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.632 7.750 -0.132 1.00 0.00 C ATOM 0 H VAL A 31 4.125 8.219 2.449 1.00 0.00 H new ATOM 0 HA VAL A 31 5.753 6.560 1.014 1.00 0.00 H new ATOM 0 HB VAL A 31 4.852 9.407 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.296 8.898 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.785 8.862 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.013 7.339 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.126 8.289 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.753 6.705 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.036 7.811 0.779 1.00 0.00 H new ATOM 450 N SER A 32 8.098 7.400 0.749 1.00 0.00 N ATOM 451 CA SER A 32 9.504 7.784 0.766 1.00 0.00 C ATOM 452 C SER A 32 10.025 8.003 -0.651 1.00 0.00 C ATOM 453 O SER A 32 10.893 8.844 -0.883 1.00 0.00 O ATOM 454 CB SER A 32 10.339 6.711 1.468 1.00 0.00 C ATOM 455 OG SER A 32 11.472 7.280 2.102 1.00 0.00 O ATOM 0 H SER A 32 7.905 6.527 0.259 1.00 0.00 H new ATOM 0 HA SER A 32 9.592 8.721 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.726 6.194 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.661 5.964 0.743 1.00 0.00 H new ATOM 0 HG SER A 32 11.988 6.574 2.545 1.00 0.00 H new ATOM 461 N SER A 33 9.487 7.239 -1.597 1.00 0.00 N ATOM 462 CA SER A 33 9.899 7.345 -2.992 1.00 0.00 C ATOM 463 C SER A 33 8.879 6.682 -3.912 1.00 0.00 C ATOM 464 O SER A 33 7.940 6.033 -3.449 1.00 0.00 O ATOM 465 CB SER A 33 11.274 6.703 -3.190 1.00 0.00 C ATOM 466 OG SER A 33 12.279 7.427 -2.501 1.00 0.00 O ATOM 0 H SER A 33 8.765 6.540 -1.423 1.00 0.00 H new ATOM 0 HA SER A 33 9.959 8.403 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.253 5.674 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.512 6.666 -4.253 1.00 0.00 H new ATOM 0 HG SER A 33 11.894 8.247 -2.128 1.00 0.00 H new ATOM 472 N ILE A 34 9.070 6.850 -5.216 1.00 0.00 N ATOM 473 CA ILE A 34 8.167 6.268 -6.201 1.00 0.00 C ATOM 474 C ILE A 34 8.942 5.530 -7.287 1.00 0.00 C ATOM 475 O ILE A 34 9.847 6.089 -7.907 1.00 0.00 O ATOM 476 CB ILE A 34 7.281 7.343 -6.858 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.242 7.858 -5.860 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.601 6.783 -8.098 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.812 8.806 -4.829 1.00 0.00 C ATOM 0 H ILE A 34 9.842 7.384 -5.615 1.00 0.00 H new ATOM 0 HA ILE A 34 7.531 5.562 -5.668 1.00 0.00 H new ATOM 0 HB ILE A 34 7.912 8.179 -7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.446 8.364 -6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.789 7.009 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.978 7.554 -8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.357 6.460 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.979 5.932 -7.819 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.019 9.130 -4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.588 8.298 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.240 9.674 -5.330 1.00 0.00 H new ATOM 491 N ILE A 35 8.579 4.272 -7.514 1.00 0.00 N ATOM 492 CA ILE A 35 9.238 3.458 -8.528 1.00 0.00 C ATOM 493 C ILE A 35 8.594 3.656 -9.896 1.00 0.00 C ATOM 494 O ILE A 35 7.437 4.065 -9.994 1.00 0.00 O ATOM 495 CB ILE A 35 9.196 1.962 -8.165 1.00 0.00 C ATOM 496 CG1 ILE A 35 9.990 1.705 -6.882 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.743 1.123 -9.310 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.733 0.342 -6.276 1.00 0.00 C ATOM 0 H ILE A 35 7.832 3.794 -7.009 1.00 0.00 H new ATOM 0 HA ILE A 35 10.277 3.784 -8.567 1.00 0.00 H new ATOM 0 HB ILE A 35 8.159 1.673 -7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.054 1.804 -7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.740 2.473 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.707 0.068 -9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.140 1.288 -10.203 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.775 1.410 -9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.328 0.229 -5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.675 0.247 -6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.010 -0.432 -6.991 1.00 0.00 H new ATOM 510 N GLU A 36 9.349 3.360 -10.949 1.00 0.00 N ATOM 511 CA GLU A 36 8.850 3.505 -12.311 1.00 0.00 C ATOM 512 C GLU A 36 7.350 3.233 -12.373 1.00 0.00 C ATOM 513 O GLU A 36 6.602 3.971 -13.014 1.00 0.00 O ATOM 514 CB GLU A 36 9.591 2.553 -13.253 1.00 0.00 C ATOM 515 CG GLU A 36 11.082 2.831 -13.351 1.00 0.00 C ATOM 516 CD GLU A 36 11.684 2.331 -14.649 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.171 2.707 -15.724 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.668 1.564 -14.591 1.00 0.00 O ATOM 0 H GLU A 36 10.308 3.019 -10.885 1.00 0.00 H new ATOM 0 HA GLU A 36 9.029 4.532 -12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.443 1.529 -12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.151 2.624 -14.248 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.254 3.904 -13.264 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.592 2.358 -12.512 1.00 0.00 H new ATOM 525 N GLN A 37 6.919 2.170 -11.702 1.00 0.00 N ATOM 526 CA GLN A 37 5.509 1.800 -11.681 1.00 0.00 C ATOM 527 C GLN A 37 5.019 1.601 -10.251 1.00 0.00 C ATOM 528 O GLN A 37 3.870 1.905 -9.929 1.00 0.00 O ATOM 529 CB GLN A 37 5.282 0.524 -12.493 1.00 0.00 C ATOM 530 CG GLN A 37 6.435 -0.464 -12.407 1.00 0.00 C ATOM 531 CD GLN A 37 6.510 -1.379 -13.613 1.00 0.00 C ATOM 532 OE1 GLN A 37 5.496 -1.908 -14.070 1.00 0.00 O ATOM 533 NE2 GLN A 37 7.715 -1.571 -14.137 1.00 0.00 N ATOM 0 H GLN A 37 7.526 1.550 -11.166 1.00 0.00 H new ATOM 0 HA GLN A 37 4.940 2.614 -12.130 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.371 0.038 -12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.120 0.791 -13.537 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.372 0.084 -12.313 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.326 -1.066 -11.505 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.529 -1.113 -13.726 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.827 -2.177 -14.950 1.00 0.00 H new ATOM 542 N LEU A 38 5.897 1.088 -9.396 1.00 0.00 N ATOM 543 CA LEU A 38 5.554 0.848 -7.999 1.00 0.00 C ATOM 544 C LEU A 38 5.827 2.086 -7.150 1.00 0.00 C ATOM 545 O LEU A 38 6.383 3.072 -7.633 1.00 0.00 O ATOM 546 CB LEU A 38 6.349 -0.341 -7.456 1.00 0.00 C ATOM 547 CG LEU A 38 6.281 -1.627 -8.281 1.00 0.00 C ATOM 548 CD1 LEU A 38 4.972 -1.698 -9.052 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.467 -1.714 -9.231 1.00 0.00 C ATOM 0 H LEU A 38 6.852 0.830 -9.646 1.00 0.00 H new ATOM 0 HA LEU A 38 4.489 0.621 -7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.394 -0.044 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.994 -0.560 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 38 6.324 -2.476 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.942 -2.620 -9.633 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.136 -1.682 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.899 -0.843 -9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.403 -2.635 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.455 -0.859 -9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.394 -1.710 -8.657 1.00 0.00 H new ATOM 561 N VAL A 39 5.434 2.026 -5.882 1.00 0.00 N ATOM 562 CA VAL A 39 5.638 3.141 -4.965 1.00 0.00 C ATOM 563 C VAL A 39 6.349 2.685 -3.696 1.00 0.00 C ATOM 564 O VAL A 39 6.040 1.627 -3.145 1.00 0.00 O ATOM 565 CB VAL A 39 4.302 3.805 -4.582 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.527 4.900 -3.550 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.609 4.359 -5.817 1.00 0.00 C ATOM 0 H VAL A 39 4.972 1.217 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 39 6.260 3.869 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 39 3.654 3.049 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.572 5.358 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.977 4.470 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.193 5.658 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.667 4.824 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.250 5.102 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.413 3.548 -6.519 1.00 0.00 H new ATOM 577 N ILE A 40 7.302 3.489 -3.236 1.00 0.00 N ATOM 578 CA ILE A 40 8.055 3.169 -2.030 1.00 0.00 C ATOM 579 C ILE A 40 7.495 3.908 -0.819 1.00 0.00 C ATOM 580 O ILE A 40 7.212 5.104 -0.886 1.00 0.00 O ATOM 581 CB ILE A 40 9.546 3.520 -2.188 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.115 2.870 -3.451 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.328 3.078 -0.960 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.142 1.359 -3.393 1.00 0.00 C ATOM 0 H ILE A 40 7.571 4.367 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 40 7.958 2.095 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 40 9.641 4.602 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.521 3.182 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.128 3.237 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.380 3.333 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.936 3.584 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.229 2.000 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.557 0.967 -4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.760 1.038 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.128 0.982 -3.261 1.00 0.00 H new ATOM 596 N ILE A 41 7.340 3.188 0.286 1.00 0.00 N ATOM 597 CA ILE A 41 6.817 3.776 1.513 1.00 0.00 C ATOM 598 C ILE A 41 7.707 3.442 2.706 1.00 0.00 C ATOM 599 O ILE A 41 8.043 2.281 2.936 1.00 0.00 O ATOM 600 CB ILE A 41 5.385 3.291 1.804 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.480 3.550 0.597 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.833 3.980 3.043 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.329 2.576 0.486 1.00 0.00 C ATOM 0 H ILE A 41 7.569 2.197 0.357 1.00 0.00 H new ATOM 0 HA ILE A 41 6.803 4.856 1.364 1.00 0.00 H new ATOM 0 HB ILE A 41 5.412 2.217 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.083 4.563 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.078 3.499 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.820 3.626 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.466 3.750 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.817 5.058 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.730 2.819 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.718 1.562 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.708 2.643 1.379 1.00 0.00 H new ATOM 615 N GLU A 42 8.084 4.469 3.462 1.00 0.00 N ATOM 616 CA GLU A 42 8.934 4.283 4.632 1.00 0.00 C ATOM 617 C GLU A 42 8.093 4.035 5.881 1.00 0.00 C ATOM 618 O GLU A 42 6.952 4.486 5.974 1.00 0.00 O ATOM 619 CB GLU A 42 9.828 5.507 4.840 1.00 0.00 C ATOM 620 CG GLU A 42 10.708 5.415 6.075 1.00 0.00 C ATOM 621 CD GLU A 42 11.334 6.746 6.445 1.00 0.00 C ATOM 622 OE1 GLU A 42 10.684 7.524 7.174 1.00 0.00 O ATOM 623 OE2 GLU A 42 12.473 7.009 6.006 1.00 0.00 O ATOM 0 H GLU A 42 7.815 5.437 3.285 1.00 0.00 H new ATOM 0 HA GLU A 42 9.562 3.409 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.461 5.638 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.201 6.396 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.114 5.051 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.496 4.683 5.901 1.00 0.00 H new ATOM 630 N SER A 43 8.667 3.315 6.840 1.00 0.00 N ATOM 631 CA SER A 43 7.970 3.003 8.082 1.00 0.00 C ATOM 632 C SER A 43 8.475 3.881 9.223 1.00 0.00 C ATOM 633 O SER A 43 9.562 4.452 9.147 1.00 0.00 O ATOM 634 CB SER A 43 8.156 1.527 8.439 1.00 0.00 C ATOM 635 OG SER A 43 9.397 1.311 9.088 1.00 0.00 O ATOM 0 H SER A 43 9.613 2.937 6.780 1.00 0.00 H new ATOM 0 HA SER A 43 6.909 3.203 7.935 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.342 1.201 9.087 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.105 0.922 7.534 1.00 0.00 H new ATOM 0 HG SER A 43 9.315 0.555 9.707 1.00 0.00 H new ATOM 641 N MET A 44 7.676 3.982 10.281 1.00 0.00 N ATOM 642 CA MET A 44 8.041 4.790 11.439 1.00 0.00 C ATOM 643 C MET A 44 8.559 3.910 12.573 1.00 0.00 C ATOM 644 O MET A 44 9.757 3.885 12.856 1.00 0.00 O ATOM 645 CB MET A 44 6.839 5.605 11.919 1.00 0.00 C ATOM 646 CG MET A 44 6.135 6.362 10.804 1.00 0.00 C ATOM 647 SD MET A 44 6.944 7.923 10.405 1.00 0.00 S ATOM 648 CE MET A 44 6.143 8.333 8.857 1.00 0.00 C ATOM 0 H MET A 44 6.773 3.515 10.360 1.00 0.00 H new ATOM 0 HA MET A 44 8.836 5.472 11.139 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.125 4.936 12.400 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.171 6.315 12.676 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.100 5.737 9.912 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.103 6.557 11.097 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.878 8.318 8.052 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.361 7.603 8.648 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.702 9.327 8.928 1.00 0.00 H new ATOM 658 N THR A 45 7.648 3.190 13.221 1.00 0.00 N ATOM 659 CA THR A 45 8.013 2.311 14.325 1.00 0.00 C ATOM 660 C THR A 45 6.802 1.537 14.833 1.00 0.00 C ATOM 661 O THR A 45 5.675 1.778 14.405 1.00 0.00 O ATOM 662 CB THR A 45 8.629 3.103 15.493 1.00 0.00 C ATOM 663 OG1 THR A 45 9.010 2.208 16.544 1.00 0.00 O ATOM 664 CG2 THR A 45 7.646 4.133 16.028 1.00 0.00 C ATOM 0 H THR A 45 6.652 3.199 13.000 1.00 0.00 H new ATOM 0 HA THR A 45 8.754 1.610 13.941 1.00 0.00 H new ATOM 0 HB THR A 45 9.511 3.626 15.123 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.402 2.719 17.282 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.104 4.679 16.852 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.381 4.830 15.233 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.747 3.628 16.382 1.00 0.00 H new ATOM 672 N ASN A 46 7.044 0.606 15.750 1.00 0.00 N ATOM 673 CA ASN A 46 5.972 -0.205 16.318 1.00 0.00 C ATOM 674 C ASN A 46 5.130 -0.841 15.217 1.00 0.00 C ATOM 675 O ASN A 46 3.921 -1.024 15.371 1.00 0.00 O ATOM 676 CB ASN A 46 5.085 0.649 17.226 1.00 0.00 C ATOM 677 CG ASN A 46 4.074 -0.181 17.993 1.00 0.00 C ATOM 678 OD1 ASN A 46 2.869 0.059 17.915 1.00 0.00 O ATOM 679 ND2 ASN A 46 4.562 -1.164 18.741 1.00 0.00 N ATOM 0 H ASN A 46 7.972 0.394 16.116 1.00 0.00 H new ATOM 0 HA ASN A 46 6.426 -1.001 16.909 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.711 1.196 17.931 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.560 1.390 16.624 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.930 -1.756 19.281 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.568 -1.327 18.776 1.00 0.00 H new ATOM 686 N LEU A 47 5.775 -1.176 14.105 1.00 0.00 N ATOM 687 CA LEU A 47 5.086 -1.793 12.977 1.00 0.00 C ATOM 688 C LEU A 47 4.937 -3.297 13.185 1.00 0.00 C ATOM 689 O LEU A 47 5.900 -4.006 13.478 1.00 0.00 O ATOM 690 CB LEU A 47 5.846 -1.520 11.678 1.00 0.00 C ATOM 691 CG LEU A 47 5.494 -0.219 10.955 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.384 0.917 11.437 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.620 -0.395 9.449 1.00 0.00 C ATOM 0 H LEU A 47 6.774 -1.031 13.960 1.00 0.00 H new ATOM 0 HA LEU A 47 4.091 -1.354 12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.913 -1.512 11.900 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.669 -2.351 10.995 1.00 0.00 H new ATOM 0 HG LEU A 47 4.459 0.034 11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.119 1.835 10.912 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.244 1.059 12.509 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.427 0.672 11.236 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.366 0.541 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.644 -0.672 9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.940 -1.180 9.116 1.00 0.00 H new ATOM 705 N PRO A 48 3.702 -3.797 13.030 1.00 0.00 N ATOM 706 CA PRO A 48 3.399 -5.221 13.194 1.00 0.00 C ATOM 707 C PRO A 48 3.991 -6.073 12.075 1.00 0.00 C ATOM 708 O PRO A 48 4.270 -5.591 10.977 1.00 0.00 O ATOM 709 CB PRO A 48 1.869 -5.266 13.147 1.00 0.00 C ATOM 710 CG PRO A 48 1.479 -4.060 12.364 1.00 0.00 C ATOM 711 CD PRO A 48 2.508 -3.010 12.681 1.00 0.00 C ATOM 0 HA PRO A 48 3.823 -5.624 14.113 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.514 -6.180 12.670 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.441 -5.243 14.149 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.460 -4.278 11.296 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.480 -3.723 12.639 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.692 -2.357 11.828 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.191 -2.373 13.507 1.00 0.00 H new ATOM 719 N PRO A 49 4.187 -7.369 12.358 1.00 0.00 N ATOM 720 CA PRO A 49 4.747 -8.315 11.388 1.00 0.00 C ATOM 721 C PRO A 49 3.783 -8.609 10.243 1.00 0.00 C ATOM 722 O PRO A 49 3.108 -9.639 10.236 1.00 0.00 O ATOM 723 CB PRO A 49 4.989 -9.576 12.221 1.00 0.00 C ATOM 724 CG PRO A 49 4.018 -9.478 13.347 1.00 0.00 C ATOM 725 CD PRO A 49 3.877 -8.012 13.646 1.00 0.00 C ATOM 0 HA PRO A 49 5.646 -7.925 10.910 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.822 -10.478 11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.015 -9.619 12.586 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.058 -9.914 13.073 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.378 -10.022 14.221 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.871 -7.766 13.986 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.565 -7.694 14.430 1.00 0.00 H new ATOM 733 N VAL A 50 3.725 -7.700 9.276 1.00 0.00 N ATOM 734 CA VAL A 50 2.845 -7.863 8.125 1.00 0.00 C ATOM 735 C VAL A 50 3.617 -8.366 6.910 1.00 0.00 C ATOM 736 O VAL A 50 4.686 -7.853 6.586 1.00 0.00 O ATOM 737 CB VAL A 50 2.144 -6.540 7.762 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.879 -6.362 8.588 1.00 0.00 C ATOM 739 CG2 VAL A 50 3.090 -5.365 7.960 1.00 0.00 C ATOM 0 H VAL A 50 4.277 -6.842 9.266 1.00 0.00 H new ATOM 0 HA VAL A 50 2.092 -8.600 8.404 1.00 0.00 H new ATOM 0 HB VAL A 50 1.860 -6.575 6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.397 -5.422 8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.197 -7.189 8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.135 -6.347 9.647 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.579 -4.438 7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.406 -5.324 9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.964 -5.490 7.321 1.00 0.00 H new ATOM 749 N ASN A 51 3.066 -9.375 6.242 1.00 0.00 N ATOM 750 CA ASN A 51 3.703 -9.948 5.062 1.00 0.00 C ATOM 751 C ASN A 51 3.222 -9.253 3.792 1.00 0.00 C ATOM 752 O ASN A 51 2.334 -8.402 3.838 1.00 0.00 O ATOM 753 CB ASN A 51 3.411 -11.448 4.978 1.00 0.00 C ATOM 754 CG ASN A 51 3.703 -12.168 6.281 1.00 0.00 C ATOM 755 OD1 ASN A 51 2.871 -12.922 6.785 1.00 0.00 O ATOM 756 ND2 ASN A 51 4.889 -11.936 6.832 1.00 0.00 N ATOM 0 H ASN A 51 2.181 -9.812 6.498 1.00 0.00 H new ATOM 0 HA ASN A 51 4.779 -9.798 5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.365 -11.597 4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.010 -11.888 4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.142 -12.391 7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.547 -11.303 6.378 1.00 0.00 H new ATOM 763 N GLU A 52 3.814 -9.623 2.661 1.00 0.00 N ATOM 764 CA GLU A 52 3.445 -9.035 1.379 1.00 0.00 C ATOM 765 C GLU A 52 1.935 -9.093 1.167 1.00 0.00 C ATOM 766 O GLU A 52 1.305 -8.088 0.839 1.00 0.00 O ATOM 767 CB GLU A 52 4.159 -9.759 0.236 1.00 0.00 C ATOM 768 CG GLU A 52 5.675 -9.694 0.327 1.00 0.00 C ATOM 769 CD GLU A 52 6.355 -10.780 -0.484 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.915 -11.946 -0.401 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.326 -10.464 -1.202 1.00 0.00 O ATOM 0 H GLU A 52 4.550 -10.327 2.606 1.00 0.00 H new ATOM 0 HA GLU A 52 3.753 -7.990 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.848 -10.804 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.841 -9.325 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.015 -8.719 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.977 -9.782 1.371 1.00 0.00 H new ATOM 778 N GLU A 53 1.362 -10.278 1.357 1.00 0.00 N ATOM 779 CA GLU A 53 -0.074 -10.468 1.186 1.00 0.00 C ATOM 780 C GLU A 53 -0.856 -9.363 1.890 1.00 0.00 C ATOM 781 O GLU A 53 -2.016 -9.104 1.566 1.00 0.00 O ATOM 782 CB GLU A 53 -0.498 -11.834 1.729 1.00 0.00 C ATOM 783 CG GLU A 53 -0.444 -12.944 0.693 1.00 0.00 C ATOM 784 CD GLU A 53 -0.815 -14.297 1.268 1.00 0.00 C ATOM 785 OE1 GLU A 53 -2.025 -14.592 1.361 1.00 0.00 O ATOM 786 OE2 GLU A 53 0.106 -15.062 1.626 1.00 0.00 O ATOM 0 H GLU A 53 1.870 -11.120 1.629 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.297 -10.424 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.147 -12.099 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.513 -11.761 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.121 -12.704 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.560 -12.995 0.273 1.00 0.00 H new ATOM 793 N THR A 54 -0.214 -8.713 2.856 1.00 0.00 N ATOM 794 CA THR A 54 -0.849 -7.638 3.607 1.00 0.00 C ATOM 795 C THR A 54 -1.247 -6.487 2.690 1.00 0.00 C ATOM 796 O THR A 54 -0.442 -6.011 1.889 1.00 0.00 O ATOM 797 CB THR A 54 0.080 -7.101 4.713 1.00 0.00 C ATOM 798 OG1 THR A 54 0.459 -8.164 5.594 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.605 -5.998 5.506 1.00 0.00 C ATOM 0 H THR A 54 0.746 -8.913 3.136 1.00 0.00 H new ATOM 0 HA THR A 54 -1.744 -8.059 4.066 1.00 0.00 H new ATOM 0 HB THR A 54 0.971 -6.688 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.000 -8.818 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.070 -5.634 6.281 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.866 -5.177 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.510 -6.391 5.968 1.00 0.00 H new ATOM 807 N VAL A 55 -2.493 -6.043 2.813 1.00 0.00 N ATOM 808 CA VAL A 55 -2.998 -4.946 1.996 1.00 0.00 C ATOM 809 C VAL A 55 -2.748 -3.600 2.667 1.00 0.00 C ATOM 810 O VAL A 55 -2.795 -3.488 3.893 1.00 0.00 O ATOM 811 CB VAL A 55 -4.506 -5.097 1.721 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.963 -4.090 0.677 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.827 -6.518 1.281 1.00 0.00 C ATOM 0 H VAL A 55 -3.172 -6.426 3.471 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.458 -4.983 1.050 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.048 -4.896 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.031 -4.212 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.769 -3.080 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.417 -4.255 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.897 -6.607 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.276 -6.750 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.539 -7.216 2.067 1.00 0.00 H new ATOM 823 N ILE A 56 -2.482 -2.581 1.857 1.00 0.00 N ATOM 824 CA ILE A 56 -2.226 -1.242 2.373 1.00 0.00 C ATOM 825 C ILE A 56 -3.379 -0.299 2.051 1.00 0.00 C ATOM 826 O ILE A 56 -3.771 -0.152 0.893 1.00 0.00 O ATOM 827 CB ILE A 56 -0.923 -0.657 1.798 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.233 -1.641 1.991 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.606 0.678 2.456 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.485 -2.000 3.439 1.00 0.00 C ATOM 0 H ILE A 56 -2.438 -2.657 0.841 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.127 -1.334 3.455 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.058 -0.490 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.022 -2.552 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.141 -1.210 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.318 1.079 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.421 1.378 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.487 0.535 3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.318 -2.701 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.728 -1.098 4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.409 -2.460 3.861 1.00 0.00 H new ATOM 842 N PHE A 57 -3.920 0.341 3.083 1.00 0.00 N ATOM 843 CA PHE A 57 -5.029 1.272 2.910 1.00 0.00 C ATOM 844 C PHE A 57 -4.530 2.714 2.885 1.00 0.00 C ATOM 845 O PHE A 57 -3.484 3.031 3.452 1.00 0.00 O ATOM 846 CB PHE A 57 -6.052 1.093 4.033 1.00 0.00 C ATOM 847 CG PHE A 57 -6.882 -0.151 3.896 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.279 -1.388 3.739 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.266 -0.083 3.924 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.040 -2.535 3.612 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.032 -1.226 3.798 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.419 -2.454 3.643 1.00 0.00 C ATOM 0 H PHE A 57 -3.608 0.232 4.048 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.507 1.056 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.529 1.068 4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.712 1.960 4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.201 -1.457 3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.751 0.874 4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.557 -3.493 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.110 -1.159 3.821 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.016 -3.349 3.546 1.00 0.00 H new ATOM 862 N LYS A 58 -5.285 3.584 2.224 1.00 0.00 N ATOM 863 CA LYS A 58 -4.922 4.992 2.125 1.00 0.00 C ATOM 864 C LYS A 58 -5.548 5.797 3.259 1.00 0.00 C ATOM 865 O LYS A 58 -6.382 5.287 4.008 1.00 0.00 O ATOM 866 CB LYS A 58 -5.369 5.561 0.776 1.00 0.00 C ATOM 867 CG LYS A 58 -4.401 5.268 -0.358 1.00 0.00 C ATOM 868 CD LYS A 58 -5.123 5.144 -1.689 1.00 0.00 C ATOM 869 CE LYS A 58 -6.005 6.354 -1.960 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.629 6.294 -3.311 1.00 0.00 N ATOM 0 H LYS A 58 -6.153 3.338 1.748 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.838 5.068 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.346 5.150 0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.491 6.640 0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.658 6.064 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.862 4.344 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.393 5.038 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.733 4.240 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.786 6.411 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.410 7.263 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.429 7.176 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.237 5.489 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.658 6.176 -3.213 1.00 0.00 H new ATOM 884 N SER A 59 -5.141 7.056 3.380 1.00 0.00 N ATOM 885 CA SER A 59 -5.661 7.930 4.426 1.00 0.00 C ATOM 886 C SER A 59 -7.158 8.164 4.244 1.00 0.00 C ATOM 887 O SER A 59 -7.870 8.467 5.202 1.00 0.00 O ATOM 888 CB SER A 59 -4.919 9.269 4.416 1.00 0.00 C ATOM 889 OG SER A 59 -5.223 10.011 3.248 1.00 0.00 O ATOM 0 H SER A 59 -4.453 7.494 2.767 1.00 0.00 H new ATOM 0 HA SER A 59 -5.502 7.441 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.192 9.847 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.845 9.094 4.470 1.00 0.00 H new ATOM 0 HG SER A 59 -4.738 10.863 3.266 1.00 0.00 H new ATOM 895 N ASP A 60 -7.627 8.021 3.010 1.00 0.00 N ATOM 896 CA ASP A 60 -9.039 8.215 2.702 1.00 0.00 C ATOM 897 C ASP A 60 -9.809 6.905 2.835 1.00 0.00 C ATOM 898 O ASP A 60 -10.899 6.755 2.282 1.00 0.00 O ATOM 899 CB ASP A 60 -9.202 8.776 1.288 1.00 0.00 C ATOM 900 CG ASP A 60 -10.526 9.489 1.097 1.00 0.00 C ATOM 901 OD1 ASP A 60 -11.544 9.004 1.633 1.00 0.00 O ATOM 902 OD2 ASP A 60 -10.543 10.533 0.413 1.00 0.00 O ATOM 0 H ASP A 60 -7.050 7.771 2.206 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.447 8.929 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.386 9.468 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.123 7.963 0.566 1.00 0.00 H new ATOM 907 N ARG A 61 -9.235 5.959 3.570 1.00 0.00 N ATOM 908 CA ARG A 61 -9.866 4.661 3.774 1.00 0.00 C ATOM 909 C ARG A 61 -10.092 3.951 2.442 1.00 0.00 C ATOM 910 O ARG A 61 -11.173 3.421 2.186 1.00 0.00 O ATOM 911 CB ARG A 61 -11.198 4.827 4.507 1.00 0.00 C ATOM 912 CG ARG A 61 -11.077 5.563 5.831 1.00 0.00 C ATOM 913 CD ARG A 61 -12.196 5.181 6.787 1.00 0.00 C ATOM 914 NE ARG A 61 -13.432 5.905 6.501 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.687 7.129 6.951 1.00 0.00 C ATOM 916 NH1 ARG A 61 -12.797 7.760 7.705 1.00 0.00 N ATOM 917 NH2 ARG A 61 -14.834 7.723 6.648 1.00 0.00 N ATOM 0 H ARG A 61 -8.333 6.067 4.035 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.197 4.052 4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.892 5.367 3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.629 3.842 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.114 5.336 6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.100 6.638 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.380 4.109 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.884 5.387 7.811 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.138 5.446 5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.915 7.306 7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.995 8.700 8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.521 7.240 6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.029 8.663 6.994 1.00 0.00 H new ATOM 931 N GLN A 62 -9.065 3.946 1.598 1.00 0.00 N ATOM 932 CA GLN A 62 -9.152 3.303 0.293 1.00 0.00 C ATOM 933 C GLN A 62 -7.974 2.360 0.071 1.00 0.00 C ATOM 934 O GLN A 62 -6.822 2.791 0.024 1.00 0.00 O ATOM 935 CB GLN A 62 -9.194 4.356 -0.816 1.00 0.00 C ATOM 936 CG GLN A 62 -10.600 4.820 -1.161 1.00 0.00 C ATOM 937 CD GLN A 62 -10.611 6.132 -1.921 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.033 6.129 -3.116 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.133 7.137 -1.439 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.163 4.380 1.795 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.072 2.719 0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.601 5.218 -0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.725 3.948 -1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.095 4.054 -1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.177 4.931 -0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.566 7.094 -0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.132 8.013 -1.962 1.00 0.00 H new ATOM 948 N ALA A 63 -8.271 1.072 -0.065 1.00 0.00 N ATOM 949 CA ALA A 63 -7.237 0.068 -0.284 1.00 0.00 C ATOM 950 C ALA A 63 -6.367 0.429 -1.484 1.00 0.00 C ATOM 951 O ALA A 63 -6.724 0.149 -2.628 1.00 0.00 O ATOM 952 CB ALA A 63 -7.865 -1.303 -0.479 1.00 0.00 C ATOM 0 H ALA A 63 -9.220 0.699 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.599 0.041 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.081 -2.043 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.438 -1.570 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.527 -1.280 -1.345 1.00 0.00 H new ATOM 958 N ALA A 64 -5.225 1.052 -1.214 1.00 0.00 N ATOM 959 CA ALA A 64 -4.304 1.450 -2.272 1.00 0.00 C ATOM 960 C ALA A 64 -3.800 0.236 -3.046 1.00 0.00 C ATOM 961 O ALA A 64 -3.696 0.269 -4.272 1.00 0.00 O ATOM 962 CB ALA A 64 -3.134 2.228 -1.688 1.00 0.00 C ATOM 0 H ALA A 64 -4.915 1.292 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.844 2.093 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.454 2.519 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.506 3.121 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.603 1.602 -0.971 1.00 0.00 H new ATOM 968 N GLY A 65 -3.488 -0.834 -2.322 1.00 0.00 N ATOM 969 CA GLY A 65 -2.998 -2.043 -2.958 1.00 0.00 C ATOM 970 C GLY A 65 -2.228 -2.931 -2.001 1.00 0.00 C ATOM 971 O GLY A 65 -1.988 -2.558 -0.852 1.00 0.00 O ATOM 0 H GLY A 65 -3.566 -0.885 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.840 -2.601 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.355 -1.774 -3.796 1.00 0.00 H new ATOM 975 N LYS A 66 -1.841 -4.111 -2.473 1.00 0.00 N ATOM 976 CA LYS A 66 -1.094 -5.057 -1.652 1.00 0.00 C ATOM 977 C LYS A 66 0.408 -4.832 -1.792 1.00 0.00 C ATOM 978 O LYS A 66 0.885 -4.405 -2.844 1.00 0.00 O ATOM 979 CB LYS A 66 -1.445 -6.494 -2.045 1.00 0.00 C ATOM 980 CG LYS A 66 -2.656 -7.047 -1.313 1.00 0.00 C ATOM 981 CD LYS A 66 -2.776 -8.551 -1.491 1.00 0.00 C ATOM 982 CE LYS A 66 -4.060 -9.084 -0.874 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.553 -10.298 -1.583 1.00 0.00 N ATOM 0 H LYS A 66 -2.032 -4.436 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.372 -4.894 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.631 -6.533 -3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.587 -7.136 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.580 -6.810 -0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.559 -6.563 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.752 -8.796 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.919 -9.043 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.887 -9.321 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.826 -8.309 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.429 -10.631 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.742 -10.066 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.832 -11.046 -1.533 1.00 0.00 H new ATOM 997 N ILE A 67 1.147 -5.124 -0.728 1.00 0.00 N ATOM 998 CA ILE A 67 2.595 -4.956 -0.734 1.00 0.00 C ATOM 999 C ILE A 67 3.229 -5.699 -1.905 1.00 0.00 C ATOM 1000 O ILE A 67 3.195 -6.928 -1.966 1.00 0.00 O ATOM 1001 CB ILE A 67 3.226 -5.455 0.579 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.050 -4.412 1.684 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.700 -5.772 0.371 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.135 -4.990 3.079 1.00 0.00 C ATOM 0 H ILE A 67 0.767 -5.478 0.150 1.00 0.00 H new ATOM 0 HA ILE A 67 2.788 -3.888 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 67 2.717 -6.369 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.814 -3.642 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.084 -3.923 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.132 -6.124 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.802 -6.547 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.223 -4.873 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.001 -4.194 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.354 -5.739 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.111 -5.454 3.222 1.00 0.00 H new ATOM 1016 N PHE A 68 3.810 -4.945 -2.833 1.00 0.00 N ATOM 1017 CA PHE A 68 4.453 -5.532 -4.002 1.00 0.00 C ATOM 1018 C PHE A 68 5.830 -6.084 -3.646 1.00 0.00 C ATOM 1019 O PHE A 68 6.300 -7.047 -4.251 1.00 0.00 O ATOM 1020 CB PHE A 68 4.582 -4.491 -5.117 1.00 0.00 C ATOM 1021 CG PHE A 68 5.468 -4.930 -6.247 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.014 -5.841 -7.187 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.754 -4.430 -6.371 1.00 0.00 C ATOM 1024 CE1 PHE A 68 5.828 -6.246 -8.228 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.572 -4.832 -7.410 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.108 -5.740 -8.340 1.00 0.00 C ATOM 0 H PHE A 68 3.848 -3.926 -2.798 1.00 0.00 H new ATOM 0 HA PHE A 68 3.830 -6.355 -4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.590 -4.266 -5.510 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.975 -3.566 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.013 -6.239 -7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.122 -3.718 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.463 -6.958 -8.954 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.573 -4.436 -7.494 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.745 -6.054 -9.154 1.00 0.00 H new ATOM 1036 N GLU A 69 6.472 -5.466 -2.659 1.00 0.00 N ATOM 1037 CA GLU A 69 7.796 -5.894 -2.223 1.00 0.00 C ATOM 1038 C GLU A 69 8.221 -5.148 -0.961 1.00 0.00 C ATOM 1039 O GLU A 69 7.767 -4.032 -0.705 1.00 0.00 O ATOM 1040 CB GLU A 69 8.822 -5.666 -3.334 1.00 0.00 C ATOM 1041 CG GLU A 69 10.263 -5.777 -2.864 1.00 0.00 C ATOM 1042 CD GLU A 69 11.228 -6.049 -4.002 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.164 -7.154 -4.581 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.047 -5.159 -4.312 1.00 0.00 O ATOM 0 H GLU A 69 6.097 -4.668 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 69 7.749 -6.959 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.651 -6.392 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.664 -4.677 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.550 -4.853 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.341 -6.577 -2.128 1.00 0.00 H new ATOM 1051 N ILE A 70 9.094 -5.772 -0.178 1.00 0.00 N ATOM 1052 CA ILE A 70 9.581 -5.167 1.056 1.00 0.00 C ATOM 1053 C ILE A 70 11.101 -5.250 1.146 1.00 0.00 C ATOM 1054 O ILE A 70 11.693 -6.297 0.885 1.00 0.00 O ATOM 1055 CB ILE A 70 8.967 -5.845 2.295 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.442 -5.885 2.178 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.388 -5.114 3.561 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.770 -6.651 3.296 1.00 0.00 C ATOM 0 H ILE A 70 9.479 -6.696 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 70 9.277 -4.120 1.036 1.00 0.00 H new ATOM 0 HB ILE A 70 9.335 -6.869 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.060 -4.864 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.171 -6.337 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.946 -5.605 4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.474 -5.133 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.045 -4.080 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.690 -6.638 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.124 -7.682 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.011 -6.186 4.252 1.00 0.00 H new ATOM 1070 N PHE A 71 11.727 -4.139 1.519 1.00 0.00 N ATOM 1071 CA PHE A 71 13.179 -4.085 1.645 1.00 0.00 C ATOM 1072 C PHE A 71 13.592 -3.155 2.782 1.00 0.00 C ATOM 1073 O PHE A 71 12.757 -2.474 3.376 1.00 0.00 O ATOM 1074 CB PHE A 71 13.809 -3.614 0.332 1.00 0.00 C ATOM 1075 CG PHE A 71 13.276 -2.295 -0.149 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.622 -1.117 0.493 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.429 -2.232 -1.244 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.134 0.099 0.053 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.938 -1.019 -1.689 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.290 0.147 -1.039 1.00 0.00 C ATOM 0 H PHE A 71 11.252 -3.264 1.739 1.00 0.00 H new ATOM 0 HA PHE A 71 13.536 -5.089 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.888 -3.534 0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.636 -4.368 -0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.281 -1.149 1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.149 -3.141 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.412 1.010 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.280 -0.983 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.906 1.096 -1.384 1.00 0.00 H new ATOM 1090 N GLY A 72 14.888 -3.134 3.080 1.00 0.00 N ATOM 1091 CA GLY A 72 15.390 -2.286 4.146 1.00 0.00 C ATOM 1092 C GLY A 72 15.726 -3.068 5.400 1.00 0.00 C ATOM 1093 O GLY A 72 15.839 -4.294 5.381 1.00 0.00 O ATOM 0 H GLY A 72 15.599 -3.689 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.280 -1.761 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.645 -1.527 4.384 1.00 0.00 H new ATOM 1097 N PRO A 73 15.895 -2.352 6.521 1.00 0.00 N ATOM 1098 CA PRO A 73 16.224 -2.967 7.811 1.00 0.00 C ATOM 1099 C PRO A 73 15.062 -3.773 8.382 1.00 0.00 C ATOM 1100 O PRO A 73 14.119 -4.112 7.669 1.00 0.00 O ATOM 1101 CB PRO A 73 16.534 -1.766 8.707 1.00 0.00 C ATOM 1102 CG PRO A 73 15.779 -0.634 8.099 1.00 0.00 C ATOM 1103 CD PRO A 73 15.775 -0.888 6.617 1.00 0.00 C ATOM 0 HA PRO A 73 17.047 -3.677 7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.217 -1.946 9.734 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.604 -1.559 8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.763 -0.588 8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.253 0.320 8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.858 -0.529 6.150 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.604 -0.384 6.121 1.00 0.00 H new ATOM 1111 N VAL A 74 15.138 -4.076 9.675 1.00 0.00 N ATOM 1112 CA VAL A 74 14.092 -4.841 10.343 1.00 0.00 C ATOM 1113 C VAL A 74 13.281 -3.957 11.284 1.00 0.00 C ATOM 1114 O VAL A 74 12.248 -4.374 11.807 1.00 0.00 O ATOM 1115 CB VAL A 74 14.681 -6.018 11.142 1.00 0.00 C ATOM 1116 CG1 VAL A 74 15.456 -5.511 12.348 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.578 -6.975 11.570 1.00 0.00 C ATOM 0 H VAL A 74 15.913 -3.803 10.280 1.00 0.00 H new ATOM 0 HA VAL A 74 13.439 -5.232 9.563 1.00 0.00 H new ATOM 0 HB VAL A 74 15.373 -6.561 10.499 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.865 -6.357 12.900 1.00 0.00 H new ATOM 0 HG12 VAL A 74 16.271 -4.869 12.013 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.789 -4.943 12.996 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.012 -7.801 12.134 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.860 -6.446 12.196 1.00 0.00 H new ATOM 0 HG23 VAL A 74 13.071 -7.365 10.687 1.00 0.00 H new ATOM 1127 N ALA A 75 13.756 -2.734 11.494 1.00 0.00 N ATOM 1128 CA ALA A 75 13.074 -1.790 12.371 1.00 0.00 C ATOM 1129 C ALA A 75 12.514 -0.612 11.580 1.00 0.00 C ATOM 1130 O ALA A 75 11.529 0.007 11.982 1.00 0.00 O ATOM 1131 CB ALA A 75 14.021 -1.297 13.455 1.00 0.00 C ATOM 0 H ALA A 75 14.610 -2.374 11.069 1.00 0.00 H new ATOM 0 HA ALA A 75 12.239 -2.308 12.842 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.498 -0.593 14.102 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.369 -2.144 14.046 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.875 -0.801 12.994 1.00 0.00 H new ATOM 1137 N HIS A 76 13.150 -0.307 10.452 1.00 0.00 N ATOM 1138 CA HIS A 76 12.715 0.798 9.605 1.00 0.00 C ATOM 1139 C HIS A 76 12.646 0.366 8.143 1.00 0.00 C ATOM 1140 O HIS A 76 13.117 1.060 7.242 1.00 0.00 O ATOM 1141 CB HIS A 76 13.664 1.986 9.753 1.00 0.00 C ATOM 1142 CG HIS A 76 13.862 2.422 11.172 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.959 3.215 11.849 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.866 2.170 12.044 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.400 3.432 13.075 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.555 2.809 13.219 1.00 0.00 N ATOM 0 H HIS A 76 13.967 -0.809 10.104 1.00 0.00 H new ATOM 0 HA HIS A 76 11.717 1.098 9.925 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.631 1.723 9.324 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.276 2.825 9.175 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.748 1.577 11.852 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.901 4.019 13.831 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.124 2.803 14.066 1.00 0.00 H new ATOM 1154 N PRO A 77 12.045 -0.809 7.900 1.00 0.00 N ATOM 1155 CA PRO A 77 11.900 -1.359 6.549 1.00 0.00 C ATOM 1156 C PRO A 77 10.910 -0.566 5.703 1.00 0.00 C ATOM 1157 O PRO A 77 9.983 0.051 6.228 1.00 0.00 O ATOM 1158 CB PRO A 77 11.376 -2.776 6.798 1.00 0.00 C ATOM 1159 CG PRO A 77 10.692 -2.700 8.119 1.00 0.00 C ATOM 1160 CD PRO A 77 11.459 -1.689 8.925 1.00 0.00 C ATOM 0 HA PRO A 77 12.837 -1.327 5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.687 -3.087 6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.189 -3.502 6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.651 -2.398 8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.689 -3.672 8.613 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.807 -1.138 9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.228 -2.162 9.536 1.00 0.00 H new ATOM 1168 N PHE A 78 11.112 -0.587 4.389 1.00 0.00 N ATOM 1169 CA PHE A 78 10.237 0.131 3.470 1.00 0.00 C ATOM 1170 C PHE A 78 9.390 -0.841 2.654 1.00 0.00 C ATOM 1171 O PHE A 78 9.892 -1.845 2.149 1.00 0.00 O ATOM 1172 CB PHE A 78 11.062 1.017 2.534 1.00 0.00 C ATOM 1173 CG PHE A 78 12.227 1.682 3.210 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.347 0.950 3.569 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.201 3.039 3.487 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.421 1.559 4.190 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.271 3.654 4.108 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.382 2.913 4.462 1.00 0.00 C ATOM 0 H PHE A 78 11.874 -1.093 3.937 1.00 0.00 H new ATOM 0 HA PHE A 78 9.570 0.760 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.430 0.412 1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.414 1.783 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.381 -0.109 3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.334 3.623 3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.289 0.977 4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.239 4.713 4.317 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.218 3.391 4.950 1.00 0.00 H new ATOM 1188 N TYR A 79 8.104 -0.535 2.529 1.00 0.00 N ATOM 1189 CA TYR A 79 7.186 -1.383 1.777 1.00 0.00 C ATOM 1190 C TYR A 79 6.905 -0.792 0.399 1.00 0.00 C ATOM 1191 O TYR A 79 6.896 0.426 0.222 1.00 0.00 O ATOM 1192 CB TYR A 79 5.875 -1.558 2.546 1.00 0.00 C ATOM 1193 CG TYR A 79 6.065 -2.059 3.960 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.355 -1.180 4.996 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.952 -3.411 4.260 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.530 -1.633 6.289 1.00 0.00 C ATOM 1197 CE2 TYR A 79 6.124 -3.873 5.551 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.413 -2.980 6.562 1.00 0.00 C ATOM 1199 OH TYR A 79 6.585 -3.436 7.849 1.00 0.00 O ATOM 0 H TYR A 79 7.673 0.294 2.938 1.00 0.00 H new ATOM 0 HA TYR A 79 7.656 -2.358 1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.350 -0.603 2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.236 -2.256 2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.445 -0.124 4.787 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.726 -4.113 3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.757 -0.936 7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.033 -4.927 5.767 1.00 0.00 H new ATOM 0 HH TYR A 79 6.468 -4.409 7.870 1.00 0.00 H new ATOM 1209 N VAL A 80 6.675 -1.666 -0.576 1.00 0.00 N ATOM 1210 CA VAL A 80 6.391 -1.234 -1.939 1.00 0.00 C ATOM 1211 C VAL A 80 4.950 -1.546 -2.326 1.00 0.00 C ATOM 1212 O VAL A 80 4.359 -2.509 -1.837 1.00 0.00 O ATOM 1213 CB VAL A 80 7.340 -1.906 -2.950 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.142 -1.319 -4.339 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.786 -1.760 -2.501 1.00 0.00 C ATOM 0 H VAL A 80 6.680 -2.678 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 80 6.546 -0.155 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 80 7.103 -2.969 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.820 -1.806 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.113 -1.481 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.351 -0.249 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.443 -2.240 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.039 -0.702 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.914 -2.233 -1.527 1.00 0.00 H new ATOM 1225 N LEU A 81 4.389 -0.725 -3.208 1.00 0.00 N ATOM 1226 CA LEU A 81 3.016 -0.913 -3.663 1.00 0.00 C ATOM 1227 C LEU A 81 2.973 -1.208 -5.159 1.00 0.00 C ATOM 1228 O LEU A 81 3.711 -0.608 -5.941 1.00 0.00 O ATOM 1229 CB LEU A 81 2.180 0.329 -3.352 1.00 0.00 C ATOM 1230 CG LEU A 81 1.632 0.431 -1.928 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.550 1.497 -1.847 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.093 -0.916 -1.467 1.00 0.00 C ATOM 0 H LEU A 81 4.864 0.077 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 81 2.597 -1.767 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.789 1.211 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.340 0.360 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 81 2.447 0.720 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.172 1.555 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.968 2.462 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.266 1.239 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.707 -0.825 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.291 -1.234 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.895 -1.654 -1.486 1.00 0.00 H new ATOM 1244 N ARG A 82 2.103 -2.133 -5.550 1.00 0.00 N ATOM 1245 CA ARG A 82 1.963 -2.506 -6.952 1.00 0.00 C ATOM 1246 C ARG A 82 1.035 -1.538 -7.682 1.00 0.00 C ATOM 1247 O ARG A 82 0.003 -1.130 -7.150 1.00 0.00 O ATOM 1248 CB ARG A 82 1.424 -3.933 -7.071 1.00 0.00 C ATOM 1249 CG ARG A 82 1.908 -4.665 -8.312 1.00 0.00 C ATOM 1250 CD ARG A 82 1.366 -6.084 -8.368 1.00 0.00 C ATOM 1251 NE ARG A 82 1.714 -6.850 -7.174 1.00 0.00 N ATOM 1252 CZ ARG A 82 1.584 -8.169 -7.084 1.00 0.00 C ATOM 1253 NH1 ARG A 82 1.117 -8.865 -8.111 1.00 0.00 N ATOM 1254 NH2 ARG A 82 1.922 -8.795 -5.963 1.00 0.00 N ATOM 0 H ARG A 82 1.484 -2.638 -4.915 1.00 0.00 H new ATOM 0 HA ARG A 82 2.949 -2.457 -7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.719 -4.499 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.334 -3.901 -7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.596 -4.120 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.998 -4.690 -8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.282 -6.054 -8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.761 -6.588 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 82 2.076 -6.345 -6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.856 -8.388 -8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.019 -9.878 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.282 -8.263 -5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.822 -9.808 -5.894 1.00 0.00 H new ATOM 1268 N PHE A 83 1.411 -1.175 -8.904 1.00 0.00 N ATOM 1269 CA PHE A 83 0.615 -0.254 -9.706 1.00 0.00 C ATOM 1270 C PHE A 83 0.948 -0.396 -11.189 1.00 0.00 C ATOM 1271 O PHE A 83 2.110 -0.316 -11.585 1.00 0.00 O ATOM 1272 CB PHE A 83 0.854 1.188 -9.255 1.00 0.00 C ATOM 1273 CG PHE A 83 0.141 1.544 -7.981 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.234 1.717 -7.967 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.845 1.706 -6.799 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.893 2.044 -6.797 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.191 2.032 -5.626 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.179 2.203 -5.625 1.00 0.00 C ATOM 0 H PHE A 83 2.262 -1.505 -9.360 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.436 -0.503 -9.562 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.924 1.345 -9.119 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.530 1.866 -10.045 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.797 1.595 -8.881 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.917 1.576 -6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.965 2.175 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.751 2.153 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.691 2.461 -4.710 1.00 0.00 H new ATOM 1288 N ASN A 84 -0.081 -0.609 -12.002 1.00 0.00 N ATOM 1289 CA ASN A 84 0.102 -0.764 -13.441 1.00 0.00 C ATOM 1290 C ASN A 84 1.157 0.206 -13.963 1.00 0.00 C ATOM 1291 O ASN A 84 2.179 -0.208 -14.511 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.223 -0.537 -14.172 1.00 0.00 C ATOM 1293 CG ASN A 84 -2.313 -1.481 -13.702 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -3.452 -1.071 -13.480 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -1.966 -2.754 -13.548 1.00 0.00 N ATOM 0 H ASN A 84 -1.050 -0.678 -11.690 1.00 0.00 H new ATOM 0 HA ASN A 84 0.444 -1.781 -13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.547 0.492 -14.019 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.071 -0.667 -15.243 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.656 -3.436 -13.234 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.010 -3.049 -13.744 1.00 0.00 H new ATOM 1302 N SER A 85 0.902 1.499 -13.789 1.00 0.00 N ATOM 1303 CA SER A 85 1.828 2.529 -14.245 1.00 0.00 C ATOM 1304 C SER A 85 1.764 3.756 -13.341 1.00 0.00 C ATOM 1305 O SER A 85 1.049 3.766 -12.339 1.00 0.00 O ATOM 1306 CB SER A 85 1.510 2.928 -15.688 1.00 0.00 C ATOM 1307 OG SER A 85 2.034 1.983 -16.605 1.00 0.00 O ATOM 0 H SER A 85 0.062 1.858 -13.336 1.00 0.00 H new ATOM 0 HA SER A 85 2.837 2.120 -14.202 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.431 3.006 -15.818 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.928 3.913 -15.897 1.00 0.00 H new ATOM 0 HG SER A 85 2.272 1.161 -16.127 1.00 0.00 H new ATOM 1313 N SER A 86 2.518 4.789 -13.702 1.00 0.00 N ATOM 1314 CA SER A 86 2.552 6.020 -12.921 1.00 0.00 C ATOM 1315 C SER A 86 1.145 6.575 -12.722 1.00 0.00 C ATOM 1316 O SER A 86 0.741 6.884 -11.601 1.00 0.00 O ATOM 1317 CB SER A 86 3.431 7.064 -13.614 1.00 0.00 C ATOM 1318 OG SER A 86 4.779 6.956 -13.192 1.00 0.00 O ATOM 0 H SER A 86 3.113 4.798 -14.530 1.00 0.00 H new ATOM 0 HA SER A 86 2.975 5.790 -11.943 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.373 6.933 -14.695 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.056 8.064 -13.393 1.00 0.00 H new ATOM 0 HG SER A 86 5.320 7.632 -13.650 1.00 0.00 H new ATOM 1324 N ASP A 87 0.404 6.699 -13.817 1.00 0.00 N ATOM 1325 CA ASP A 87 -0.959 7.216 -13.764 1.00 0.00 C ATOM 1326 C ASP A 87 -1.757 6.532 -12.658 1.00 0.00 C ATOM 1327 O ASP A 87 -2.412 7.193 -11.852 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.656 7.016 -15.111 1.00 0.00 C ATOM 1329 CG ASP A 87 -2.372 5.683 -15.200 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -3.495 5.577 -14.664 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -1.810 4.745 -15.804 1.00 0.00 O ATOM 0 H ASP A 87 0.724 6.449 -14.753 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.908 8.283 -13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.373 7.822 -15.269 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.919 7.084 -15.912 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.697 5.205 -12.627 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.414 4.431 -11.619 1.00 0.00 C ATOM 1338 C HIS A 88 -2.274 5.070 -10.241 1.00 0.00 C ATOM 1339 O HIS A 88 -3.238 5.143 -9.479 1.00 0.00 O ATOM 1340 CB HIS A 88 -1.894 2.994 -11.583 1.00 0.00 C ATOM 1341 CG HIS A 88 -2.891 2.009 -11.057 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -2.981 0.711 -11.515 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -3.845 2.137 -10.105 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -3.948 0.084 -10.868 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.487 0.927 -10.007 1.00 0.00 N ATOM 0 H HIS A 88 -1.160 4.643 -13.287 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.470 4.420 -11.889 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.599 2.698 -12.590 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.997 2.956 -10.964 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.061 3.025 -9.530 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.246 -0.943 -11.018 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.256 0.714 -9.372 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.067 5.531 -9.929 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.801 6.164 -8.643 1.00 0.00 C ATOM 1355 C ILE A 89 -1.461 7.536 -8.559 1.00 0.00 C ATOM 1356 O ILE A 89 -2.316 7.773 -7.707 1.00 0.00 O ATOM 1357 CB ILE A 89 0.710 6.317 -8.392 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.373 4.942 -8.286 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.959 7.129 -7.130 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.764 4.354 -9.624 1.00 0.00 C ATOM 0 H ILE A 89 -0.259 5.478 -10.549 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.223 5.513 -7.878 1.00 0.00 H new ATOM 0 HB ILE A 89 1.151 6.849 -9.235 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.262 5.024 -7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.691 4.257 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.032 7.228 -6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.516 8.119 -7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.507 6.623 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.228 3.379 -9.472 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.875 4.240 -10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.471 5.019 -10.121 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.056 8.436 -9.450 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.609 9.786 -9.477 1.00 0.00 C ATOM 1374 C GLU A 90 -3.101 9.769 -9.156 1.00 0.00 C ATOM 1375 O GLU A 90 -3.594 10.609 -8.403 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.378 10.428 -10.846 1.00 0.00 C ATOM 1377 CG GLU A 90 0.089 10.551 -11.221 1.00 0.00 C ATOM 1378 CD GLU A 90 0.305 11.391 -12.465 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.136 10.964 -13.552 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.915 12.475 -12.351 1.00 0.00 O ATOM 0 H GLU A 90 -0.348 8.255 -10.162 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.098 10.376 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.890 9.838 -11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.831 11.420 -10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.637 10.993 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.503 9.556 -11.383 1.00 0.00 H new ATOM 1387 N SER A 91 -3.814 8.807 -9.733 1.00 0.00 N ATOM 1388 CA SER A 91 -5.250 8.683 -9.512 1.00 0.00 C ATOM 1389 C SER A 91 -5.557 8.494 -8.030 1.00 0.00 C ATOM 1390 O SER A 91 -6.313 9.265 -7.437 1.00 0.00 O ATOM 1391 CB SER A 91 -5.810 7.507 -10.315 1.00 0.00 C ATOM 1392 OG SER A 91 -7.217 7.416 -10.171 1.00 0.00 O ATOM 0 H SER A 91 -3.421 8.102 -10.357 1.00 0.00 H new ATOM 0 HA SER A 91 -5.726 9.604 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.556 7.628 -11.368 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.346 6.579 -9.979 1.00 0.00 H new ATOM 0 HG SER A 91 -7.551 6.658 -10.695 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.966 7.463 -7.436 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.174 7.171 -6.023 1.00 0.00 C ATOM 1400 C LYS A 92 -4.830 8.382 -5.161 1.00 0.00 C ATOM 1401 O LYS A 92 -5.436 8.603 -4.114 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.325 5.971 -5.598 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.540 4.739 -6.460 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.782 3.972 -6.037 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.679 2.499 -6.401 1.00 0.00 C ATOM 1406 NZ LYS A 92 -7.020 1.869 -6.547 1.00 0.00 N ATOM 0 H LYS A 92 -4.338 6.815 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.228 6.932 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.272 6.250 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.554 5.723 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.633 5.036 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.668 4.088 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.924 4.073 -4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.660 4.406 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.125 2.393 -7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.113 1.974 -5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.907 0.865 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.540 1.947 -5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.551 2.354 -7.298 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.852 9.164 -5.610 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.446 10.343 -4.868 1.00 0.00 C ATOM 1422 C GLY A 93 -2.175 10.118 -4.073 1.00 0.00 C ATOM 1423 O GLY A 93 -1.647 11.045 -3.459 1.00 0.00 O ATOM 0 H GLY A 93 -3.334 9.002 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.296 11.171 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.248 10.636 -4.190 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.683 8.883 -4.084 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.467 8.540 -3.357 1.00 0.00 C ATOM 1429 C ILE A 94 0.712 9.386 -3.828 1.00 0.00 C ATOM 1430 O ILE A 94 0.939 9.540 -5.028 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.114 7.050 -3.523 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.309 6.175 -3.141 1.00 0.00 C ATOM 1433 CG2 ILE A 94 1.101 6.696 -2.678 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.243 4.777 -3.717 1.00 0.00 C ATOM 0 H ILE A 94 -2.108 8.104 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.660 8.744 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 94 0.129 6.864 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.368 6.109 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.225 6.657 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.338 5.640 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.952 7.300 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.885 6.895 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.122 4.213 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.215 4.833 -4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.344 4.277 -3.356 1.00 0.00 H new ATOM 1446 N LYS A 95 1.460 9.930 -2.875 1.00 0.00 N ATOM 1447 CA LYS A 95 2.619 10.758 -3.190 1.00 0.00 C ATOM 1448 C LYS A 95 3.532 10.899 -1.977 1.00 0.00 C ATOM 1449 O LYS A 95 3.207 10.433 -0.885 1.00 0.00 O ATOM 1450 CB LYS A 95 2.168 12.141 -3.667 1.00 0.00 C ATOM 1451 CG LYS A 95 1.198 12.825 -2.719 1.00 0.00 C ATOM 1452 CD LYS A 95 1.905 13.347 -1.480 1.00 0.00 C ATOM 1453 CE LYS A 95 0.992 14.238 -0.651 1.00 0.00 C ATOM 1454 NZ LYS A 95 -0.254 13.530 -0.246 1.00 0.00 N ATOM 0 H LYS A 95 1.285 9.813 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 95 3.178 10.270 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.045 12.775 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.698 12.043 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.706 13.651 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.418 12.122 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.245 12.508 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.792 13.907 -1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.524 14.575 0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.734 15.128 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.072 13.975 -0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.195 12.532 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.366 13.588 0.786 1.00 0.00 H new ATOM 1468 N ILE A 96 4.676 11.546 -2.176 1.00 0.00 N ATOM 1469 CA ILE A 96 5.635 11.751 -1.098 1.00 0.00 C ATOM 1470 C ILE A 96 4.987 12.462 0.086 1.00 0.00 C ATOM 1471 O ILE A 96 4.132 13.330 -0.089 1.00 0.00 O ATOM 1472 CB ILE A 96 6.849 12.570 -1.572 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.493 11.909 -2.793 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.862 12.716 -0.446 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.062 10.537 -2.507 1.00 0.00 C ATOM 0 H ILE A 96 4.961 11.937 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 96 5.974 10.763 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 96 6.508 13.565 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.750 11.827 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.289 12.553 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.715 13.297 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.397 13.226 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.201 11.729 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.502 10.129 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.829 10.615 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.266 9.878 -2.162 1.00 0.00 H new ATOM 1487 N LYS A 97 5.402 12.089 1.292 1.00 0.00 N ATOM 1488 CA LYS A 97 4.866 12.692 2.506 1.00 0.00 C ATOM 1489 C LYS A 97 3.392 12.340 2.684 1.00 0.00 C ATOM 1490 O LYS A 97 2.595 13.169 3.121 1.00 0.00 O ATOM 1491 CB LYS A 97 5.036 14.213 2.463 1.00 0.00 C ATOM 1492 CG LYS A 97 6.477 14.659 2.290 1.00 0.00 C ATOM 1493 CD LYS A 97 7.329 14.268 3.486 1.00 0.00 C ATOM 1494 CE LYS A 97 8.019 12.931 3.265 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.327 12.858 3.974 1.00 0.00 N ATOM 0 H LYS A 97 6.108 11.371 1.454 1.00 0.00 H new ATOM 0 HA LYS A 97 5.422 12.294 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.440 14.614 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.640 14.641 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.891 14.213 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.511 15.740 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.077 15.039 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.704 14.213 4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.372 12.126 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.175 12.775 2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.766 11.932 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.954 13.610 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.176 12.981 4.995 1.00 0.00 H new ATOM 1509 N GLU A 98 3.039 11.104 2.345 1.00 0.00 N ATOM 1510 CA GLU A 98 1.661 10.643 2.468 1.00 0.00 C ATOM 1511 C GLU A 98 1.558 9.501 3.476 1.00 0.00 C ATOM 1512 O GLU A 98 2.016 8.387 3.219 1.00 0.00 O ATOM 1513 CB GLU A 98 1.128 10.187 1.108 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.387 10.090 1.050 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.866 9.022 0.086 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.103 8.067 -0.169 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -2.004 9.142 -0.414 1.00 0.00 O ATOM 0 H GLU A 98 3.687 10.405 1.983 1.00 0.00 H new ATOM 0 HA GLU A 98 1.057 11.477 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.469 10.883 0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.556 9.214 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.772 9.874 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.798 11.054 0.752 1.00 0.00 H new ATOM 1524 N THR A 99 0.952 9.786 4.624 1.00 0.00 N ATOM 1525 CA THR A 99 0.789 8.786 5.672 1.00 0.00 C ATOM 1526 C THR A 99 -0.238 7.733 5.271 1.00 0.00 C ATOM 1527 O THR A 99 -1.352 8.063 4.865 1.00 0.00 O ATOM 1528 CB THR A 99 0.356 9.430 7.002 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.036 10.677 7.187 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.653 8.506 8.173 1.00 0.00 C ATOM 0 H THR A 99 0.566 10.702 4.852 1.00 0.00 H new ATOM 0 HA THR A 99 1.760 8.310 5.808 1.00 0.00 H new ATOM 0 HB THR A 99 -0.719 9.605 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.754 11.081 8.034 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.338 8.983 9.101 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.111 7.569 8.044 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.723 8.303 8.214 1.00 0.00 H new ATOM 1538 N MET A 100 0.143 6.466 5.390 1.00 0.00 N ATOM 1539 CA MET A 100 -0.747 5.365 5.042 1.00 0.00 C ATOM 1540 C MET A 100 -1.087 4.530 6.273 1.00 0.00 C ATOM 1541 O MET A 100 -0.485 4.699 7.334 1.00 0.00 O ATOM 1542 CB MET A 100 -0.104 4.479 3.973 1.00 0.00 C ATOM 1543 CG MET A 100 0.378 5.250 2.754 1.00 0.00 C ATOM 1544 SD MET A 100 -0.953 6.140 1.924 1.00 0.00 S ATOM 1545 CE MET A 100 -1.407 4.961 0.655 1.00 0.00 C ATOM 0 H MET A 100 1.062 6.176 5.725 1.00 0.00 H new ATOM 0 HA MET A 100 -1.670 5.789 4.646 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.739 3.947 4.413 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.825 3.726 3.655 1.00 0.00 H new ATOM 0 HG2 MET A 100 1.149 5.958 3.058 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.841 4.558 2.051 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.865 5.487 -0.183 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.516 4.436 0.311 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.117 4.242 1.064 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.053 3.631 6.124 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.475 2.773 7.225 1.00 0.00 C ATOM 1557 C TYR A 101 -2.902 1.401 6.713 1.00 0.00 C ATOM 1558 O TYR A 101 -2.994 1.177 5.506 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.625 3.423 7.995 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.422 4.899 8.255 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.341 5.804 7.204 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.310 5.388 9.550 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.155 7.154 7.436 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -3.125 6.736 9.792 1.00 0.00 C ATOM 1565 CZ TYR A 101 -3.048 7.614 8.731 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.862 8.957 8.968 1.00 0.00 O ATOM 0 H TYR A 101 -2.559 3.477 5.252 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.626 2.643 7.896 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.550 3.285 7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.750 2.909 8.948 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.425 5.447 6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.369 4.703 10.383 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.094 7.844 6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -3.041 7.100 10.805 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.808 9.114 9.934 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.164 0.486 7.640 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.583 -0.865 7.285 1.00 0.00 C ATOM 1578 C PHE A 102 -4.703 -1.347 8.202 1.00 0.00 C ATOM 1579 O PHE A 102 -5.020 -0.704 9.202 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.395 -1.827 7.363 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.583 -1.675 8.618 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.171 -1.832 9.862 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.231 -1.377 8.552 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.426 -1.692 11.018 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.519 -1.236 9.704 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.079 -1.395 10.939 1.00 0.00 C ATOM 0 H PHE A 102 -3.094 0.655 8.643 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.959 -0.844 6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.762 -2.851 7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.749 -1.665 6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.223 -2.066 9.930 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.242 -1.254 7.589 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.897 -1.815 11.982 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.571 -1.002 9.639 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.505 -1.287 11.841 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.299 -2.482 7.852 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.382 -3.051 8.643 1.00 0.00 C ATOM 1598 C ALA A 103 -6.040 -4.463 9.108 1.00 0.00 C ATOM 1599 O ALA A 103 -6.290 -5.438 8.398 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.675 -3.056 7.841 1.00 0.00 C ATOM 0 H ALA A 103 -5.050 -3.025 7.026 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.518 -2.429 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.476 -3.484 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.935 -2.034 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.541 -3.653 6.939 1.00 0.00 H new