USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 764 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 102 GLN : amide:sc= -1.77! K(o=-3.8!,f=-1.4) USER MOD Set 1.2: A 103 ASN : amide:sc= -2.01! K(o=-3.8!,f=-0.048) USER MOD Set 2.1: A 79 TYR OH : rot 165:sc= -0.137 USER MOD Set 2.2: A 88 SER OG : rot -68:sc= 0.085 USER MOD Set 3.1: A 17 TYR OH : rot -150:sc= 1.12 USER MOD Set 3.2: A 64 TYR OH : rot -112:sc= 1.93 USER MOD Set 4.1: A 37 THR OG1 : rot -149:sc= 2.3 USER MOD Set 4.2: A 48 THR OG1 : rot 119:sc= 1.24 USER MOD Set 5.1: A 20 THR OG1 : rot -86:sc= 0.68 USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= 0.597 USER MOD Single : A 14 THR OG1 : rot 34:sc= 0.00729 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.08) USER MOD Single : A 35 SER OG : rot -10:sc= 0.697 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 170:sc= -0.012 (180deg=-0.293) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 62 MET CE :methyl -163:sc= -0.0582 (180deg=-0.373) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 101:sc= 0.955 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 160:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.396 USER MOD Single : A 78 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.3) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= 1.23 (180deg=1.07) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 1.17 (180deg=0.987) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot -79:sc= 0.366 USER MOD Single : A 105 GLN : amide:sc= 0.388 K(o=0.39,f=-5.9!) USER MOD Single : A 107 LYS NZ :NH3+ 139:sc= 1.24 (180deg=0.311) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 172:sc= -4.39! (180deg=-4.49!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 9.035 13.193 -13.237 1.00 0.00 N ATOM 205 CA THR A 14 9.029 12.156 -12.217 1.00 0.00 C ATOM 206 C THR A 14 7.632 11.865 -11.655 1.00 0.00 C ATOM 207 O THR A 14 6.886 12.775 -11.289 1.00 0.00 O ATOM 208 CB THR A 14 10.006 12.545 -11.108 1.00 0.00 C ATOM 209 OG1 THR A 14 11.350 12.431 -11.595 1.00 0.00 O ATOM 210 CG2 THR A 14 9.832 11.704 -9.850 1.00 0.00 C ATOM 0 HA THR A 14 9.349 11.225 -12.685 1.00 0.00 H new ATOM 0 HB THR A 14 9.792 13.577 -10.829 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.373 12.659 -12.548 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.551 12.024 -9.096 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.821 11.832 -9.464 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.999 10.654 -10.089 1.00 0.00 H new ATOM 218 N PRO A 15 7.249 10.571 -11.630 1.00 0.00 N ATOM 219 CA PRO A 15 5.996 10.123 -11.016 1.00 0.00 C ATOM 220 C PRO A 15 5.925 10.490 -9.538 1.00 0.00 C ATOM 221 O PRO A 15 6.777 10.081 -8.749 1.00 0.00 O ATOM 222 CB PRO A 15 6.021 8.599 -11.177 1.00 0.00 C ATOM 223 CG PRO A 15 7.427 8.248 -11.530 1.00 0.00 C ATOM 224 CD PRO A 15 8.006 9.452 -12.215 1.00 0.00 C ATOM 0 HA PRO A 15 5.131 10.593 -11.483 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.714 8.104 -10.256 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.331 8.277 -11.957 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.000 7.996 -10.638 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.457 7.377 -12.185 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.075 9.547 -12.026 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.877 9.401 -13.296 1.00 0.00 H new ATOM 232 N PHE A 16 4.893 11.239 -9.169 1.00 0.00 N ATOM 233 CA PHE A 16 4.760 11.766 -7.813 1.00 0.00 C ATOM 234 C PHE A 16 4.621 10.654 -6.767 1.00 0.00 C ATOM 235 O PHE A 16 4.988 10.846 -5.614 1.00 0.00 O ATOM 236 CB PHE A 16 3.558 12.726 -7.727 1.00 0.00 C ATOM 237 CG PHE A 16 2.220 12.080 -7.987 1.00 0.00 C ATOM 238 CD1 PHE A 16 1.765 11.887 -9.282 1.00 0.00 C ATOM 239 CD2 PHE A 16 1.416 11.674 -6.932 1.00 0.00 C ATOM 240 CE1 PHE A 16 0.538 11.298 -9.519 1.00 0.00 C ATOM 241 CE2 PHE A 16 0.188 11.085 -7.164 1.00 0.00 C ATOM 242 CZ PHE A 16 -0.251 10.897 -8.458 1.00 0.00 C ATOM 0 H PHE A 16 4.130 11.498 -9.794 1.00 0.00 H new ATOM 0 HA PHE A 16 5.677 12.311 -7.589 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.542 13.179 -6.736 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.703 13.534 -8.444 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.377 12.201 -10.115 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.754 11.820 -5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.196 11.151 -10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.427 10.772 -6.333 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.211 10.437 -8.642 1.00 0.00 H new ATOM 252 N TYR A 17 4.102 9.496 -7.169 1.00 0.00 N ATOM 253 CA TYR A 17 3.827 8.425 -6.221 1.00 0.00 C ATOM 254 C TYR A 17 4.997 7.449 -6.099 1.00 0.00 C ATOM 255 O TYR A 17 5.015 6.599 -5.208 1.00 0.00 O ATOM 256 CB TYR A 17 2.556 7.672 -6.635 1.00 0.00 C ATOM 257 CG TYR A 17 2.723 6.753 -7.832 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.605 7.234 -9.132 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.999 5.399 -7.657 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.760 6.392 -10.220 1.00 0.00 C ATOM 261 CE2 TYR A 17 3.155 4.554 -8.739 1.00 0.00 C ATOM 262 CZ TYR A 17 3.034 5.052 -10.017 1.00 0.00 C ATOM 263 OH TYR A 17 3.188 4.208 -11.096 1.00 0.00 O ATOM 0 H TYR A 17 3.866 9.278 -8.137 1.00 0.00 H new ATOM 0 HA TYR A 17 3.681 8.883 -5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.208 7.082 -5.787 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.776 8.400 -6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.389 8.280 -9.295 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.093 5.002 -6.657 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.667 6.780 -11.223 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.371 3.507 -8.583 1.00 0.00 H new ATOM 0 HH TYR A 17 2.904 3.304 -10.847 1.00 0.00 H new ATOM 273 N TYR A 18 5.973 7.567 -6.987 1.00 0.00 N ATOM 274 CA TYR A 18 7.078 6.617 -7.015 1.00 0.00 C ATOM 275 C TYR A 18 8.000 6.813 -5.815 1.00 0.00 C ATOM 276 O TYR A 18 8.399 7.935 -5.499 1.00 0.00 O ATOM 277 CB TYR A 18 7.869 6.746 -8.318 1.00 0.00 C ATOM 278 CG TYR A 18 8.991 5.739 -8.448 1.00 0.00 C ATOM 279 CD1 TYR A 18 8.727 4.417 -8.786 1.00 0.00 C ATOM 280 CD2 TYR A 18 10.312 6.107 -8.224 1.00 0.00 C ATOM 281 CE1 TYR A 18 9.748 3.491 -8.900 1.00 0.00 C ATOM 282 CE2 TYR A 18 11.340 5.187 -8.335 1.00 0.00 C ATOM 283 CZ TYR A 18 11.051 3.880 -8.672 1.00 0.00 C ATOM 284 OH TYR A 18 12.070 2.959 -8.785 1.00 0.00 O ATOM 0 H TYR A 18 6.024 8.303 -7.692 1.00 0.00 H new ATOM 0 HA TYR A 18 6.656 5.613 -6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.187 6.628 -9.160 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.285 7.751 -8.383 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.707 4.108 -8.963 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.541 7.129 -7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.526 2.468 -9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.362 5.490 -8.159 1.00 0.00 H new ATOM 0 HH TYR A 18 12.927 3.394 -8.594 1.00 0.00 H new ATOM 294 N GLY A 19 8.332 5.713 -5.151 1.00 0.00 N ATOM 295 CA GLY A 19 9.228 5.774 -4.015 1.00 0.00 C ATOM 296 C GLY A 19 8.692 5.018 -2.819 1.00 0.00 C ATOM 297 O GLY A 19 7.772 4.207 -2.950 1.00 0.00 O ATOM 0 H GLY A 19 7.995 4.778 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.197 5.363 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.392 6.816 -3.740 1.00 0.00 H new ATOM 301 N THR A 20 9.273 5.276 -1.660 1.00 0.00 N ATOM 302 CA THR A 20 8.840 4.646 -0.428 1.00 0.00 C ATOM 303 C THR A 20 8.214 5.683 0.501 1.00 0.00 C ATOM 304 O THR A 20 8.803 6.733 0.767 1.00 0.00 O ATOM 305 CB THR A 20 10.019 3.945 0.280 1.00 0.00 C ATOM 306 OG1 THR A 20 10.602 2.971 -0.598 1.00 0.00 O ATOM 307 CG2 THR A 20 9.567 3.261 1.564 1.00 0.00 C ATOM 0 H THR A 20 10.053 5.924 -1.548 1.00 0.00 H new ATOM 0 HA THR A 20 8.094 3.891 -0.677 1.00 0.00 H new ATOM 0 HB THR A 20 10.757 4.705 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.119 2.123 -0.513 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.421 2.777 2.038 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.147 4.003 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.809 2.513 1.331 1.00 0.00 H new ATOM 315 N TRP A 21 7.013 5.392 0.968 1.00 0.00 N ATOM 316 CA TRP A 21 6.281 6.299 1.835 1.00 0.00 C ATOM 317 C TRP A 21 6.055 5.637 3.186 1.00 0.00 C ATOM 318 O TRP A 21 5.988 4.408 3.275 1.00 0.00 O ATOM 319 CB TRP A 21 4.934 6.663 1.200 1.00 0.00 C ATOM 320 CG TRP A 21 5.040 7.160 -0.215 1.00 0.00 C ATOM 321 CD1 TRP A 21 5.262 6.407 -1.333 1.00 0.00 C ATOM 322 CD2 TRP A 21 4.909 8.513 -0.667 1.00 0.00 C ATOM 323 NE1 TRP A 21 5.298 7.209 -2.446 1.00 0.00 N ATOM 324 CE2 TRP A 21 5.081 8.505 -2.065 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.668 9.729 -0.028 1.00 0.00 C ATOM 326 CZ2 TRP A 21 5.022 9.666 -2.829 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.608 10.881 -0.787 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.783 10.843 -2.175 1.00 0.00 C ATOM 0 H TRP A 21 6.519 4.525 0.758 1.00 0.00 H new ATOM 0 HA TRP A 21 6.862 7.211 1.972 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.286 5.787 1.219 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.452 7.429 1.808 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.391 5.335 -1.340 1.00 0.00 H new ATOM 0 HE1 TRP A 21 5.460 6.891 -3.401 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.531 9.769 1.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 5.160 9.639 -3.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.423 11.828 -0.301 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.728 11.761 -2.741 1.00 0.00 H new ATOM 339 N ASP A 22 5.954 6.434 4.236 1.00 0.00 N ATOM 340 CA ASP A 22 5.699 5.894 5.565 1.00 0.00 C ATOM 341 C ASP A 22 4.198 5.811 5.799 1.00 0.00 C ATOM 342 O ASP A 22 3.477 6.777 5.551 1.00 0.00 O ATOM 343 CB ASP A 22 6.362 6.756 6.644 1.00 0.00 C ATOM 344 CG ASP A 22 6.291 6.125 8.024 1.00 0.00 C ATOM 345 OD1 ASP A 22 5.236 6.218 8.686 1.00 0.00 O ATOM 346 OD2 ASP A 22 7.302 5.539 8.459 1.00 0.00 O ATOM 0 H ASP A 22 6.043 7.449 4.198 1.00 0.00 H new ATOM 0 HA ASP A 22 6.130 4.895 5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.406 6.923 6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.879 7.733 6.670 1.00 0.00 H new ATOM 351 N GLU A 23 3.744 4.651 6.262 1.00 0.00 N ATOM 352 CA GLU A 23 2.320 4.379 6.462 1.00 0.00 C ATOM 353 C GLU A 23 1.640 5.444 7.314 1.00 0.00 C ATOM 354 O GLU A 23 0.628 6.019 6.911 1.00 0.00 O ATOM 355 CB GLU A 23 2.147 3.011 7.126 1.00 0.00 C ATOM 356 CG GLU A 23 1.817 1.891 6.155 1.00 0.00 C ATOM 357 CD GLU A 23 0.343 1.851 5.819 1.00 0.00 C ATOM 358 OE1 GLU A 23 -0.437 1.334 6.642 1.00 0.00 O ATOM 359 OE2 GLU A 23 -0.046 2.337 4.743 1.00 0.00 O ATOM 0 H GLU A 23 4.352 3.870 6.510 1.00 0.00 H new ATOM 0 HA GLU A 23 1.846 4.390 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.064 2.758 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.354 3.078 7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.394 2.022 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.117 0.936 6.587 1.00 0.00 H new ATOM 366 N GLY A 24 2.197 5.701 8.490 1.00 0.00 N ATOM 367 CA GLY A 24 1.543 6.586 9.433 1.00 0.00 C ATOM 368 C GLY A 24 0.164 6.078 9.808 1.00 0.00 C ATOM 369 O GLY A 24 -0.764 6.861 10.010 1.00 0.00 O ATOM 0 H GLY A 24 3.086 5.314 8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.154 6.679 10.331 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.459 7.583 9.000 1.00 0.00 H new ATOM 373 N ARG A 25 0.037 4.758 9.885 1.00 0.00 N ATOM 374 CA ARG A 25 -1.221 4.104 10.161 1.00 0.00 C ATOM 375 C ARG A 25 -1.275 3.723 11.630 1.00 0.00 C ATOM 376 O ARG A 25 -0.244 3.451 12.248 1.00 0.00 O ATOM 377 CB ARG A 25 -1.339 2.845 9.296 1.00 0.00 C ATOM 378 CG ARG A 25 -2.694 2.152 9.345 1.00 0.00 C ATOM 379 CD ARG A 25 -3.560 2.538 8.155 1.00 0.00 C ATOM 380 NE ARG A 25 -2.875 2.291 6.885 1.00 0.00 N ATOM 381 CZ ARG A 25 -3.466 2.287 5.693 1.00 0.00 C ATOM 382 NH1 ARG A 25 -4.789 2.363 5.600 1.00 0.00 N ATOM 383 NH2 ARG A 25 -2.725 2.170 4.595 1.00 0.00 N ATOM 0 H ARG A 25 0.816 4.113 9.755 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.046 4.778 9.931 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.122 3.112 8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.574 2.135 9.609 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.551 1.071 9.357 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.206 2.416 10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.491 1.971 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.827 3.592 8.226 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.872 2.109 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.357 2.425 6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.237 2.360 4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.711 2.084 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.170 2.166 3.677 1.00 0.00 H new ATOM 397 N ALA A 26 -2.467 3.713 12.180 1.00 0.00 N ATOM 398 CA ALA A 26 -2.668 3.305 13.565 1.00 0.00 C ATOM 399 C ALA A 26 -3.596 2.092 13.658 1.00 0.00 C ATOM 400 O ALA A 26 -4.794 2.229 13.915 1.00 0.00 O ATOM 401 CB ALA A 26 -3.212 4.460 14.394 1.00 0.00 C ATOM 0 H ALA A 26 -3.321 3.983 11.692 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.698 3.016 13.970 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.354 4.133 15.424 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.505 5.289 14.371 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.167 4.786 13.981 1.00 0.00 H new ATOM 407 N PRO A 27 -3.062 0.892 13.394 1.00 0.00 N ATOM 408 CA PRO A 27 -3.774 -0.359 13.557 1.00 0.00 C ATOM 409 C PRO A 27 -3.387 -1.039 14.864 1.00 0.00 C ATOM 410 O PRO A 27 -2.820 -0.405 15.757 1.00 0.00 O ATOM 411 CB PRO A 27 -3.264 -1.159 12.358 1.00 0.00 C ATOM 412 CG PRO A 27 -1.869 -0.658 12.113 1.00 0.00 C ATOM 413 CD PRO A 27 -1.710 0.637 12.884 1.00 0.00 C ATOM 0 HA PRO A 27 -4.858 -0.252 13.596 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.267 -2.228 12.569 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.897 -1.005 11.484 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.134 -1.393 12.442 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.702 -0.494 11.049 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.987 0.538 13.693 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.362 1.447 12.243 1.00 0.00 H new ATOM 421 N GLY A 28 -3.704 -2.315 14.992 1.00 0.00 N ATOM 422 CA GLY A 28 -3.210 -3.069 16.106 1.00 0.00 C ATOM 423 C GLY A 28 -1.936 -3.798 15.742 1.00 0.00 C ATOM 424 O GLY A 28 -1.526 -3.795 14.582 1.00 0.00 O ATOM 0 H GLY A 28 -4.294 -2.836 14.343 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.024 -2.402 16.948 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.965 -3.786 16.428 1.00 0.00 H new ATOM 428 N PRO A 29 -1.300 -4.434 16.714 1.00 0.00 N ATOM 429 CA PRO A 29 -0.070 -5.188 16.498 1.00 0.00 C ATOM 430 C PRO A 29 -0.322 -6.512 15.783 1.00 0.00 C ATOM 431 O PRO A 29 -1.220 -7.271 16.150 1.00 0.00 O ATOM 432 CB PRO A 29 0.435 -5.445 17.917 1.00 0.00 C ATOM 433 CG PRO A 29 -0.803 -5.459 18.753 1.00 0.00 C ATOM 434 CD PRO A 29 -1.737 -4.466 18.110 1.00 0.00 C ATOM 0 HA PRO A 29 0.635 -4.648 15.866 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.970 -6.392 17.983 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.125 -4.666 18.241 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.247 -6.454 18.780 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.583 -5.180 19.784 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.777 -4.780 18.197 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.660 -3.484 18.576 1.00 0.00 H new ATOM 442 N THR A 30 0.475 -6.780 14.765 1.00 0.00 N ATOM 443 CA THR A 30 0.425 -8.048 14.059 1.00 0.00 C ATOM 444 C THR A 30 1.301 -9.084 14.758 1.00 0.00 C ATOM 445 O THR A 30 1.490 -10.198 14.266 1.00 0.00 O ATOM 446 CB THR A 30 0.896 -7.858 12.614 1.00 0.00 C ATOM 447 OG1 THR A 30 1.979 -6.917 12.589 1.00 0.00 O ATOM 448 CG2 THR A 30 -0.240 -7.362 11.734 1.00 0.00 C ATOM 0 H THR A 30 1.172 -6.128 14.405 1.00 0.00 H new ATOM 0 HA THR A 30 -0.605 -8.406 14.058 1.00 0.00 H new ATOM 0 HB THR A 30 1.232 -8.819 12.225 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.284 -6.794 11.666 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.120 -7.235 10.713 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.052 -8.089 11.745 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.603 -6.406 12.112 1.00 0.00 H new ATOM 456 N ASP A 31 1.812 -8.687 15.922 1.00 0.00 N ATOM 457 CA ASP A 31 2.712 -9.507 16.730 1.00 0.00 C ATOM 458 C ASP A 31 4.062 -9.655 16.043 1.00 0.00 C ATOM 459 O ASP A 31 4.311 -10.620 15.314 1.00 0.00 O ATOM 460 CB ASP A 31 2.103 -10.878 17.042 1.00 0.00 C ATOM 461 CG ASP A 31 3.002 -11.738 17.907 1.00 0.00 C ATOM 462 OD1 ASP A 31 3.600 -11.205 18.865 1.00 0.00 O ATOM 463 OD2 ASP A 31 3.112 -12.954 17.634 1.00 0.00 O ATOM 0 H ASP A 31 1.610 -7.776 16.335 1.00 0.00 H new ATOM 0 HA ASP A 31 2.862 -8.995 17.681 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.147 -10.739 17.546 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.898 -11.400 16.108 1.00 0.00 H new ATOM 468 N GLY A 32 4.911 -8.663 16.251 1.00 0.00 N ATOM 469 CA GLY A 32 6.231 -8.667 15.654 1.00 0.00 C ATOM 470 C GLY A 32 6.535 -7.364 14.943 1.00 0.00 C ATOM 471 O GLY A 32 7.660 -6.863 14.990 1.00 0.00 O ATOM 0 H GLY A 32 4.708 -7.847 16.828 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.979 -8.841 16.428 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.307 -9.493 14.946 1.00 0.00 H new ATOM 475 N VAL A 33 5.524 -6.810 14.290 1.00 0.00 N ATOM 476 CA VAL A 33 5.676 -5.560 13.561 1.00 0.00 C ATOM 477 C VAL A 33 5.170 -4.391 14.398 1.00 0.00 C ATOM 478 O VAL A 33 4.144 -4.498 15.072 1.00 0.00 O ATOM 479 CB VAL A 33 4.898 -5.587 12.231 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.285 -4.416 11.351 1.00 0.00 C ATOM 481 CG2 VAL A 33 5.112 -6.905 11.501 1.00 0.00 C ATOM 0 H VAL A 33 4.586 -7.209 14.250 1.00 0.00 H new ATOM 0 HA VAL A 33 6.738 -5.436 13.350 1.00 0.00 H new ATOM 0 HB VAL A 33 3.837 -5.498 12.464 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.721 -4.459 10.419 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.061 -3.483 11.868 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.352 -4.462 11.132 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.552 -6.898 10.566 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.173 -7.035 11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.764 -7.728 12.126 1.00 0.00 H new ATOM 491 N LYS A 34 5.903 -3.287 14.369 1.00 0.00 N ATOM 492 CA LYS A 34 5.490 -2.079 15.059 1.00 0.00 C ATOM 493 C LYS A 34 4.670 -1.198 14.130 1.00 0.00 C ATOM 494 O LYS A 34 3.681 -0.585 14.532 1.00 0.00 O ATOM 495 CB LYS A 34 6.711 -1.290 15.518 1.00 0.00 C ATOM 496 CG LYS A 34 7.640 -2.039 16.452 1.00 0.00 C ATOM 497 CD LYS A 34 8.808 -1.155 16.846 1.00 0.00 C ATOM 498 CE LYS A 34 9.796 -1.880 17.739 1.00 0.00 C ATOM 499 NZ LYS A 34 10.929 -1.001 18.125 1.00 0.00 N ATOM 0 H LYS A 34 6.790 -3.206 13.872 1.00 0.00 H new ATOM 0 HA LYS A 34 4.890 -2.370 15.922 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.276 -0.979 14.639 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.372 -0.382 16.017 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.096 -2.354 17.342 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.006 -2.943 15.965 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.319 -0.808 15.948 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.435 -0.270 17.362 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.286 -2.233 18.636 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.177 -2.760 17.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.443 -1.427 18.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.574 -0.891 17.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.565 -0.069 18.407 1.00 0.00 H new ATOM 513 N SER A 35 5.100 -1.163 12.884 1.00 0.00 N ATOM 514 CA SER A 35 4.578 -0.241 11.881 1.00 0.00 C ATOM 515 C SER A 35 5.074 -0.681 10.510 1.00 0.00 C ATOM 516 O SER A 35 5.923 -1.568 10.418 1.00 0.00 O ATOM 517 CB SER A 35 5.045 1.196 12.167 1.00 0.00 C ATOM 518 OG SER A 35 4.578 1.662 13.423 1.00 0.00 O ATOM 0 H SER A 35 5.831 -1.780 12.530 1.00 0.00 H new ATOM 0 HA SER A 35 3.489 -0.256 11.911 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.134 1.235 12.147 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.688 1.858 11.378 1.00 0.00 H new ATOM 0 HG SER A 35 3.920 1.031 13.782 1.00 0.00 H new ATOM 524 N ALA A 36 4.575 -0.070 9.451 1.00 0.00 N ATOM 525 CA ALA A 36 4.952 -0.480 8.111 1.00 0.00 C ATOM 526 C ALA A 36 5.251 0.716 7.222 1.00 0.00 C ATOM 527 O ALA A 36 4.925 1.853 7.557 1.00 0.00 O ATOM 528 CB ALA A 36 3.849 -1.331 7.497 1.00 0.00 C ATOM 0 H ALA A 36 3.913 0.705 9.491 1.00 0.00 H new ATOM 0 HA ALA A 36 5.865 -1.071 8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.140 -1.634 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.689 -2.217 8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.927 -0.752 7.448 1.00 0.00 H new ATOM 534 N THR A 37 5.899 0.444 6.106 1.00 0.00 N ATOM 535 CA THR A 37 6.119 1.433 5.073 1.00 0.00 C ATOM 536 C THR A 37 5.646 0.864 3.745 1.00 0.00 C ATOM 537 O THR A 37 5.551 -0.356 3.589 1.00 0.00 O ATOM 538 CB THR A 37 7.607 1.838 4.975 1.00 0.00 C ATOM 539 OG1 THR A 37 8.425 0.670 4.841 1.00 0.00 O ATOM 540 CG2 THR A 37 8.036 2.633 6.197 1.00 0.00 C ATOM 0 H THR A 37 6.289 -0.474 5.891 1.00 0.00 H new ATOM 0 HA THR A 37 5.555 2.331 5.325 1.00 0.00 H new ATOM 0 HB THR A 37 7.732 2.469 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.298 0.833 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.087 2.906 6.103 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.432 3.537 6.273 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.897 2.027 7.092 1.00 0.00 H new ATOM 548 N VAL A 38 5.330 1.723 2.796 1.00 0.00 N ATOM 549 CA VAL A 38 4.852 1.254 1.510 1.00 0.00 C ATOM 550 C VAL A 38 5.755 1.740 0.380 1.00 0.00 C ATOM 551 O VAL A 38 6.033 2.931 0.252 1.00 0.00 O ATOM 552 CB VAL A 38 3.383 1.679 1.256 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.227 3.189 1.302 1.00 0.00 C ATOM 554 CG2 VAL A 38 2.886 1.141 -0.073 1.00 0.00 C ATOM 0 H VAL A 38 5.394 2.737 2.888 1.00 0.00 H new ATOM 0 HA VAL A 38 4.883 0.165 1.531 1.00 0.00 H new ATOM 0 HB VAL A 38 2.777 1.251 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.185 3.453 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.528 3.556 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.855 3.643 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.853 1.453 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.508 1.531 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.940 0.052 -0.068 1.00 0.00 H new ATOM 564 N THR A 39 6.233 0.803 -0.419 1.00 0.00 N ATOM 565 CA THR A 39 7.072 1.128 -1.554 1.00 0.00 C ATOM 566 C THR A 39 6.303 0.915 -2.852 1.00 0.00 C ATOM 567 O THR A 39 5.812 -0.186 -3.124 1.00 0.00 O ATOM 568 CB THR A 39 8.358 0.272 -1.561 1.00 0.00 C ATOM 569 OG1 THR A 39 9.089 0.476 -0.341 1.00 0.00 O ATOM 570 CG2 THR A 39 9.245 0.626 -2.746 1.00 0.00 C ATOM 0 H THR A 39 6.052 -0.194 -0.300 1.00 0.00 H new ATOM 0 HA THR A 39 7.359 2.176 -1.471 1.00 0.00 H new ATOM 0 HB THR A 39 8.066 -0.775 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.902 -0.071 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.143 0.008 -2.726 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.702 0.446 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.527 1.677 -2.688 1.00 0.00 H new ATOM 578 N PHE A 40 6.196 1.967 -3.650 1.00 0.00 N ATOM 579 CA PHE A 40 5.504 1.880 -4.922 1.00 0.00 C ATOM 580 C PHE A 40 6.514 1.761 -6.045 1.00 0.00 C ATOM 581 O PHE A 40 7.340 2.651 -6.256 1.00 0.00 O ATOM 582 CB PHE A 40 4.616 3.106 -5.149 1.00 0.00 C ATOM 583 CG PHE A 40 3.430 3.181 -4.228 1.00 0.00 C ATOM 584 CD1 PHE A 40 2.293 2.434 -4.485 1.00 0.00 C ATOM 585 CD2 PHE A 40 3.449 4.005 -3.114 1.00 0.00 C ATOM 586 CE1 PHE A 40 1.195 2.504 -3.647 1.00 0.00 C ATOM 587 CE2 PHE A 40 2.354 4.080 -2.271 1.00 0.00 C ATOM 588 CZ PHE A 40 1.225 3.328 -2.539 1.00 0.00 C ATOM 0 H PHE A 40 6.580 2.888 -3.438 1.00 0.00 H new ATOM 0 HA PHE A 40 4.867 0.996 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.218 4.006 -5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.263 3.100 -6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.263 1.789 -5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.328 4.595 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.315 1.915 -3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.381 4.725 -1.405 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.369 3.385 -1.883 1.00 0.00 H new ATOM 598 N THR A 41 6.453 0.645 -6.748 1.00 0.00 N ATOM 599 CA THR A 41 7.342 0.397 -7.864 1.00 0.00 C ATOM 600 C THR A 41 6.585 0.658 -9.165 1.00 0.00 C ATOM 601 O THR A 41 5.391 0.960 -9.135 1.00 0.00 O ATOM 602 CB THR A 41 7.883 -1.050 -7.809 1.00 0.00 C ATOM 603 OG1 THR A 41 8.026 -1.444 -6.437 1.00 0.00 O ATOM 604 CG2 THR A 41 9.240 -1.171 -8.496 1.00 0.00 C ATOM 0 H THR A 41 5.791 -0.108 -6.562 1.00 0.00 H new ATOM 0 HA THR A 41 8.200 1.068 -7.813 1.00 0.00 H new ATOM 0 HB THR A 41 7.175 -1.695 -8.330 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.367 -2.362 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.587 -2.202 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.145 -0.880 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.958 -0.517 -8.001 1.00 0.00 H new ATOM 612 N GLU A 42 7.266 0.553 -10.294 1.00 0.00 N ATOM 613 CA GLU A 42 6.701 0.917 -11.574 1.00 0.00 C ATOM 614 C GLU A 42 5.489 0.060 -11.952 1.00 0.00 C ATOM 615 O GLU A 42 4.506 0.580 -12.482 1.00 0.00 O ATOM 616 CB GLU A 42 7.793 0.827 -12.633 1.00 0.00 C ATOM 617 CG GLU A 42 8.959 1.761 -12.348 1.00 0.00 C ATOM 618 CD GLU A 42 10.045 1.699 -13.397 1.00 0.00 C ATOM 619 OE1 GLU A 42 9.966 2.461 -14.382 1.00 0.00 O ATOM 620 OE2 GLU A 42 10.998 0.905 -13.232 1.00 0.00 O ATOM 0 H GLU A 42 8.226 0.212 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 42 6.330 1.940 -11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.158 -0.199 -12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.369 1.067 -13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.588 2.784 -12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.387 1.511 -11.377 1.00 0.00 H new ATOM 627 N ASP A 43 5.537 -1.237 -11.669 1.00 0.00 N ATOM 628 CA ASP A 43 4.441 -2.128 -12.059 1.00 0.00 C ATOM 629 C ASP A 43 3.947 -2.964 -10.888 1.00 0.00 C ATOM 630 O ASP A 43 2.981 -3.719 -11.016 1.00 0.00 O ATOM 631 CB ASP A 43 4.880 -3.054 -13.196 1.00 0.00 C ATOM 632 CG ASP A 43 5.180 -2.308 -14.480 1.00 0.00 C ATOM 633 OD1 ASP A 43 4.241 -2.075 -15.270 1.00 0.00 O ATOM 634 OD2 ASP A 43 6.358 -1.957 -14.705 1.00 0.00 O ATOM 0 H ASP A 43 6.307 -1.693 -11.180 1.00 0.00 H new ATOM 0 HA ASP A 43 3.620 -1.496 -12.398 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.767 -3.606 -12.886 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.097 -3.789 -13.383 1.00 0.00 H new ATOM 639 N GLU A 44 4.598 -2.825 -9.747 1.00 0.00 N ATOM 640 CA GLU A 44 4.265 -3.625 -8.585 1.00 0.00 C ATOM 641 C GLU A 44 4.292 -2.797 -7.306 1.00 0.00 C ATOM 642 O GLU A 44 4.928 -1.746 -7.240 1.00 0.00 O ATOM 643 CB GLU A 44 5.226 -4.816 -8.459 1.00 0.00 C ATOM 644 CG GLU A 44 6.704 -4.441 -8.441 1.00 0.00 C ATOM 645 CD GLU A 44 7.268 -4.164 -9.821 1.00 0.00 C ATOM 646 OE1 GLU A 44 7.756 -5.117 -10.463 1.00 0.00 O ATOM 647 OE2 GLU A 44 7.247 -2.995 -10.263 1.00 0.00 O ATOM 0 H GLU A 44 5.361 -2.164 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 44 3.250 -3.997 -8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.992 -5.360 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.048 -5.499 -9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.840 -3.558 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.271 -5.249 -7.979 1.00 0.00 H new ATOM 654 N VAL A 45 3.580 -3.277 -6.298 1.00 0.00 N ATOM 655 CA VAL A 45 3.572 -2.648 -4.987 1.00 0.00 C ATOM 656 C VAL A 45 4.259 -3.559 -3.976 1.00 0.00 C ATOM 657 O VAL A 45 4.006 -4.765 -3.945 1.00 0.00 O ATOM 658 CB VAL A 45 2.135 -2.336 -4.506 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.153 -1.663 -3.143 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.405 -1.470 -5.519 1.00 0.00 C ATOM 0 H VAL A 45 2.994 -4.109 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 45 4.111 -1.704 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 45 1.599 -3.280 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.131 -1.454 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.629 -2.323 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.712 -0.729 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.397 -1.263 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.943 -0.531 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.351 -1.994 -6.473 1.00 0.00 H new ATOM 670 N VAL A 46 5.148 -2.989 -3.176 1.00 0.00 N ATOM 671 CA VAL A 46 5.869 -3.753 -2.171 1.00 0.00 C ATOM 672 C VAL A 46 5.640 -3.162 -0.786 1.00 0.00 C ATOM 673 O VAL A 46 5.885 -1.974 -0.558 1.00 0.00 O ATOM 674 CB VAL A 46 7.385 -3.783 -2.460 1.00 0.00 C ATOM 675 CG1 VAL A 46 8.118 -4.637 -1.433 1.00 0.00 C ATOM 676 CG2 VAL A 46 7.654 -4.292 -3.870 1.00 0.00 C ATOM 0 H VAL A 46 5.387 -1.998 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 46 5.486 -4.773 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 46 7.763 -2.763 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.184 -4.642 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.960 -4.224 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.735 -5.657 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.728 -4.305 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.256 -5.301 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.171 -3.634 -4.593 1.00 0.00 H new ATOM 686 N GLU A 47 5.164 -3.986 0.131 1.00 0.00 N ATOM 687 CA GLU A 47 4.972 -3.562 1.503 1.00 0.00 C ATOM 688 C GLU A 47 6.128 -4.009 2.375 1.00 0.00 C ATOM 689 O GLU A 47 6.622 -5.135 2.257 1.00 0.00 O ATOM 690 CB GLU A 47 3.654 -4.089 2.057 1.00 0.00 C ATOM 691 CG GLU A 47 2.471 -3.224 1.681 1.00 0.00 C ATOM 692 CD GLU A 47 1.139 -3.922 1.877 1.00 0.00 C ATOM 693 OE1 GLU A 47 0.603 -3.882 3.003 1.00 0.00 O ATOM 694 OE2 GLU A 47 0.621 -4.509 0.904 1.00 0.00 O ATOM 0 H GLU A 47 4.903 -4.955 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 47 4.937 -2.473 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.489 -5.101 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.721 -4.152 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.489 -2.313 2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.566 -2.922 0.638 1.00 0.00 H new ATOM 701 N THR A 48 6.558 -3.112 3.231 1.00 0.00 N ATOM 702 CA THR A 48 7.658 -3.372 4.137 1.00 0.00 C ATOM 703 C THR A 48 7.209 -3.234 5.588 1.00 0.00 C ATOM 704 O THR A 48 6.739 -2.177 6.006 1.00 0.00 O ATOM 705 CB THR A 48 8.827 -2.410 3.860 1.00 0.00 C ATOM 706 OG1 THR A 48 8.370 -1.304 3.069 1.00 0.00 O ATOM 707 CG2 THR A 48 9.958 -3.120 3.138 1.00 0.00 C ATOM 0 H THR A 48 6.156 -2.179 3.321 1.00 0.00 H new ATOM 0 HA THR A 48 7.994 -4.395 3.970 1.00 0.00 H new ATOM 0 HB THR A 48 9.203 -2.047 4.816 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.494 -0.471 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.771 -2.417 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.322 -3.943 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.595 -3.510 2.187 1.00 0.00 H new ATOM 715 N GLU A 49 7.338 -4.308 6.351 1.00 0.00 N ATOM 716 CA GLU A 49 6.942 -4.293 7.752 1.00 0.00 C ATOM 717 C GLU A 49 8.162 -4.109 8.646 1.00 0.00 C ATOM 718 O GLU A 49 9.167 -4.794 8.480 1.00 0.00 O ATOM 719 CB GLU A 49 6.225 -5.587 8.123 1.00 0.00 C ATOM 720 CG GLU A 49 5.040 -5.912 7.229 1.00 0.00 C ATOM 721 CD GLU A 49 4.222 -7.072 7.754 1.00 0.00 C ATOM 722 OE1 GLU A 49 4.757 -8.195 7.821 1.00 0.00 O ATOM 723 OE2 GLU A 49 3.038 -6.854 8.097 1.00 0.00 O ATOM 0 H GLU A 49 7.713 -5.199 6.026 1.00 0.00 H new ATOM 0 HA GLU A 49 6.259 -3.457 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.937 -6.411 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.881 -5.517 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.403 -5.032 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.398 -6.148 6.227 1.00 0.00 H new ATOM 730 N VAL A 50 8.068 -3.190 9.594 1.00 0.00 N ATOM 731 CA VAL A 50 9.187 -2.895 10.479 1.00 0.00 C ATOM 732 C VAL A 50 9.145 -3.785 11.713 1.00 0.00 C ATOM 733 O VAL A 50 8.240 -3.683 12.547 1.00 0.00 O ATOM 734 CB VAL A 50 9.188 -1.416 10.920 1.00 0.00 C ATOM 735 CG1 VAL A 50 10.430 -1.099 11.743 1.00 0.00 C ATOM 736 CG2 VAL A 50 9.086 -0.490 9.716 1.00 0.00 C ATOM 0 H VAL A 50 7.230 -2.636 9.771 1.00 0.00 H new ATOM 0 HA VAL A 50 10.100 -3.092 9.917 1.00 0.00 H new ATOM 0 HB VAL A 50 8.313 -1.250 11.548 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.410 -0.051 12.043 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.449 -1.731 12.631 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.321 -1.288 11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.089 0.547 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.936 -0.659 9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.161 -0.694 9.177 1.00 0.00 H new ATOM 746 N MET A 51 10.135 -4.653 11.814 1.00 0.00 N ATOM 747 CA MET A 51 10.251 -5.576 12.922 1.00 0.00 C ATOM 748 C MET A 51 11.516 -5.279 13.725 1.00 0.00 C ATOM 749 O MET A 51 12.585 -5.069 13.150 1.00 0.00 O ATOM 750 CB MET A 51 10.298 -7.001 12.388 1.00 0.00 C ATOM 751 CG MET A 51 9.012 -7.454 11.713 1.00 0.00 C ATOM 752 SD MET A 51 9.095 -9.163 11.142 1.00 0.00 S ATOM 753 CE MET A 51 7.534 -9.302 10.270 1.00 0.00 C ATOM 0 H MET A 51 10.883 -4.736 11.126 1.00 0.00 H new ATOM 0 HA MET A 51 9.387 -5.461 13.577 1.00 0.00 H new ATOM 0 HB2 MET A 51 11.118 -7.084 11.675 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.522 -7.679 13.212 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.182 -7.348 12.412 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.801 -6.801 10.866 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.512 -10.237 9.710 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.714 -9.289 10.988 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.426 -8.464 9.581 1.00 0.00 H new ATOM 763 N GLU A 52 11.395 -5.275 15.045 1.00 0.00 N ATOM 764 CA GLU A 52 12.519 -4.940 15.916 1.00 0.00 C ATOM 765 C GLU A 52 13.573 -6.047 15.900 1.00 0.00 C ATOM 766 O GLU A 52 13.257 -7.224 16.079 1.00 0.00 O ATOM 767 CB GLU A 52 12.029 -4.694 17.343 1.00 0.00 C ATOM 768 CG GLU A 52 13.128 -4.272 18.305 1.00 0.00 C ATOM 769 CD GLU A 52 12.590 -3.856 19.656 1.00 0.00 C ATOM 770 OE1 GLU A 52 12.157 -2.694 19.789 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.593 -4.685 20.591 1.00 0.00 O ATOM 0 H GLU A 52 10.531 -5.500 15.539 1.00 0.00 H new ATOM 0 HA GLU A 52 12.980 -4.027 15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.259 -3.923 17.325 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.560 -5.604 17.718 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.828 -5.097 18.435 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.688 -3.444 17.870 1.00 0.00 H new ATOM 778 N GLY A 53 14.823 -5.660 15.664 1.00 0.00 N ATOM 779 CA GLY A 53 15.912 -6.618 15.620 1.00 0.00 C ATOM 780 C GLY A 53 16.119 -7.192 14.232 1.00 0.00 C ATOM 781 O GLY A 53 17.228 -7.590 13.867 1.00 0.00 O ATOM 0 H GLY A 53 15.102 -4.692 15.501 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.831 -6.135 15.952 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.708 -7.429 16.319 1.00 0.00 H new ATOM 785 N ARG A 54 15.044 -7.222 13.456 1.00 0.00 N ATOM 786 CA ARG A 54 15.076 -7.753 12.101 1.00 0.00 C ATOM 787 C ARG A 54 15.334 -6.632 11.110 1.00 0.00 C ATOM 788 O ARG A 54 16.342 -6.613 10.404 1.00 0.00 O ATOM 789 CB ARG A 54 13.730 -8.394 11.766 1.00 0.00 C ATOM 790 CG ARG A 54 13.203 -9.312 12.844 1.00 0.00 C ATOM 791 CD ARG A 54 13.841 -10.688 12.775 1.00 0.00 C ATOM 792 NE ARG A 54 13.396 -11.545 13.868 1.00 0.00 N ATOM 793 CZ ARG A 54 13.262 -12.867 13.777 1.00 0.00 C ATOM 794 NH1 ARG A 54 13.469 -13.489 12.622 1.00 0.00 N ATOM 795 NH2 ARG A 54 12.890 -13.563 14.840 1.00 0.00 N ATOM 0 H ARG A 54 14.128 -6.880 13.747 1.00 0.00 H new ATOM 0 HA ARG A 54 15.872 -8.495 12.037 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.999 -7.606 11.584 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.828 -8.958 10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.395 -8.871 13.822 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.122 -9.407 12.744 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.594 -11.156 11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.926 -10.588 12.810 1.00 0.00 H new ATOM 0 HE ARG A 54 13.173 -11.103 14.760 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.733 -12.954 11.795 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.364 -14.502 12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.707 -13.087 15.723 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.786 -14.576 14.776 1.00 0.00 H new ATOM 809 N GLY A 55 14.396 -5.702 11.078 1.00 0.00 N ATOM 810 CA GLY A 55 14.435 -4.611 10.128 1.00 0.00 C ATOM 811 C GLY A 55 13.131 -4.528 9.372 1.00 0.00 C ATOM 812 O GLY A 55 12.097 -4.974 9.874 1.00 0.00 O ATOM 0 H GLY A 55 13.592 -5.684 11.706 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.621 -3.672 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.259 -4.757 9.430 1.00 0.00 H new ATOM 816 N GLU A 56 13.160 -3.964 8.180 1.00 0.00 N ATOM 817 CA GLU A 56 11.981 -3.932 7.341 1.00 0.00 C ATOM 818 C GLU A 56 11.904 -5.193 6.498 1.00 0.00 C ATOM 819 O GLU A 56 12.865 -5.578 5.831 1.00 0.00 O ATOM 820 CB GLU A 56 11.989 -2.688 6.461 1.00 0.00 C ATOM 821 CG GLU A 56 11.848 -1.398 7.253 1.00 0.00 C ATOM 822 CD GLU A 56 11.752 -0.164 6.376 1.00 0.00 C ATOM 823 OE1 GLU A 56 12.794 0.265 5.836 1.00 0.00 O ATOM 824 OE2 GLU A 56 10.637 0.388 6.243 1.00 0.00 O ATOM 0 H GLU A 56 13.985 -3.523 7.773 1.00 0.00 H new ATOM 0 HA GLU A 56 11.097 -3.891 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.918 -2.658 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.175 -2.755 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.959 -1.460 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.703 -1.295 7.922 1.00 0.00 H new ATOM 831 N VAL A 57 10.752 -5.830 6.542 1.00 0.00 N ATOM 832 CA VAL A 57 10.531 -7.077 5.840 1.00 0.00 C ATOM 833 C VAL A 57 9.688 -6.831 4.599 1.00 0.00 C ATOM 834 O VAL A 57 8.585 -6.293 4.680 1.00 0.00 O ATOM 835 CB VAL A 57 9.833 -8.098 6.758 1.00 0.00 C ATOM 836 CG1 VAL A 57 9.456 -9.359 5.992 1.00 0.00 C ATOM 837 CG2 VAL A 57 10.728 -8.438 7.942 1.00 0.00 C ATOM 0 H VAL A 57 9.942 -5.497 7.066 1.00 0.00 H new ATOM 0 HA VAL A 57 11.497 -7.484 5.541 1.00 0.00 H new ATOM 0 HB VAL A 57 8.913 -7.648 7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.965 -10.061 6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.777 -9.102 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.355 -9.818 5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.224 -9.161 8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.663 -8.865 7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.938 -7.532 8.511 1.00 0.00 H new ATOM 847 N GLN A 58 10.233 -7.212 3.453 1.00 0.00 N ATOM 848 CA GLN A 58 9.617 -6.949 2.173 1.00 0.00 C ATOM 849 C GLN A 58 8.726 -8.105 1.749 1.00 0.00 C ATOM 850 O GLN A 58 9.141 -9.263 1.790 1.00 0.00 O ATOM 851 CB GLN A 58 10.720 -6.740 1.143 1.00 0.00 C ATOM 852 CG GLN A 58 11.766 -5.738 1.592 1.00 0.00 C ATOM 853 CD GLN A 58 12.954 -5.668 0.659 1.00 0.00 C ATOM 854 OE1 GLN A 58 13.321 -6.655 0.022 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.568 -4.498 0.577 1.00 0.00 N ATOM 0 H GLN A 58 11.119 -7.714 3.391 1.00 0.00 H new ATOM 0 HA GLN A 58 8.993 -6.058 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.204 -7.695 0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.276 -6.400 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.309 -4.751 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.111 -6.004 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.230 -3.705 1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.379 -4.389 -0.032 1.00 0.00 H new ATOM 864 N LEU A 59 7.505 -7.788 1.356 1.00 0.00 N ATOM 865 CA LEU A 59 6.599 -8.789 0.818 1.00 0.00 C ATOM 866 C LEU A 59 6.842 -8.973 -0.674 1.00 0.00 C ATOM 867 O LEU A 59 7.354 -8.071 -1.340 1.00 0.00 O ATOM 868 CB LEU A 59 5.141 -8.391 1.069 1.00 0.00 C ATOM 869 CG LEU A 59 4.720 -8.363 2.537 1.00 0.00 C ATOM 870 CD1 LEU A 59 3.290 -7.863 2.675 1.00 0.00 C ATOM 871 CD2 LEU A 59 4.866 -9.744 3.161 1.00 0.00 C ATOM 0 H LEU A 59 7.117 -6.845 1.399 1.00 0.00 H new ATOM 0 HA LEU A 59 6.792 -9.734 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.971 -7.404 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.494 -9.087 0.535 1.00 0.00 H new ATOM 0 HG LEU A 59 5.376 -7.674 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.009 -7.850 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.216 -6.855 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.619 -8.525 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.562 -9.705 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.235 -10.454 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.906 -10.064 3.098 1.00 0.00 H new ATOM 883 N PRO A 60 6.502 -10.155 -1.205 1.00 0.00 N ATOM 884 CA PRO A 60 6.639 -10.461 -2.633 1.00 0.00 C ATOM 885 C PRO A 60 6.017 -9.387 -3.524 1.00 0.00 C ATOM 886 O PRO A 60 4.972 -8.822 -3.191 1.00 0.00 O ATOM 887 CB PRO A 60 5.882 -11.779 -2.788 1.00 0.00 C ATOM 888 CG PRO A 60 5.935 -12.416 -1.444 1.00 0.00 C ATOM 889 CD PRO A 60 5.976 -11.296 -0.440 1.00 0.00 C ATOM 0 HA PRO A 60 7.685 -10.512 -2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.853 -11.608 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.345 -12.413 -3.544 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.064 -13.051 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.815 -13.052 -1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.986 -11.084 -0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.619 -11.541 0.406 1.00 0.00 H new ATOM 897 N PHE A 61 6.659 -9.116 -4.657 1.00 0.00 N ATOM 898 CA PHE A 61 6.187 -8.087 -5.577 1.00 0.00 C ATOM 899 C PHE A 61 4.783 -8.409 -6.065 1.00 0.00 C ATOM 900 O PHE A 61 4.549 -9.446 -6.691 1.00 0.00 O ATOM 901 CB PHE A 61 7.117 -7.964 -6.781 1.00 0.00 C ATOM 902 CG PHE A 61 8.566 -7.785 -6.425 1.00 0.00 C ATOM 903 CD1 PHE A 61 9.094 -6.519 -6.238 1.00 0.00 C ATOM 904 CD2 PHE A 61 9.401 -8.881 -6.285 1.00 0.00 C ATOM 905 CE1 PHE A 61 10.424 -6.348 -5.913 1.00 0.00 C ATOM 906 CE2 PHE A 61 10.736 -8.715 -5.961 1.00 0.00 C ATOM 907 CZ PHE A 61 11.247 -7.446 -5.776 1.00 0.00 C ATOM 0 H PHE A 61 7.507 -9.595 -4.960 1.00 0.00 H new ATOM 0 HA PHE A 61 6.176 -7.141 -5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.014 -8.856 -7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.797 -7.118 -7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.457 -5.654 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.006 -9.876 -6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.820 -5.354 -5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.377 -9.577 -5.853 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.289 -7.313 -5.525 1.00 0.00 H new ATOM 917 N MET A 62 3.854 -7.524 -5.772 1.00 0.00 N ATOM 918 CA MET A 62 2.471 -7.708 -6.176 1.00 0.00 C ATOM 919 C MET A 62 2.105 -6.713 -7.262 1.00 0.00 C ATOM 920 O MET A 62 2.219 -5.504 -7.072 1.00 0.00 O ATOM 921 CB MET A 62 1.537 -7.563 -4.974 1.00 0.00 C ATOM 922 CG MET A 62 1.646 -8.717 -3.984 1.00 0.00 C ATOM 923 SD MET A 62 0.480 -8.585 -2.615 1.00 0.00 S ATOM 924 CE MET A 62 1.083 -7.105 -1.804 1.00 0.00 C ATOM 0 H MET A 62 4.030 -6.664 -5.252 1.00 0.00 H new ATOM 0 HA MET A 62 2.356 -8.715 -6.576 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.761 -6.629 -4.459 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.508 -7.493 -5.328 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.475 -9.656 -4.510 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.661 -8.753 -3.587 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.678 -7.053 -0.794 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.172 -7.134 -1.757 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.767 -6.227 -2.367 1.00 0.00 H new ATOM 934 N ALA A 63 1.680 -7.230 -8.401 1.00 0.00 N ATOM 935 CA ALA A 63 1.379 -6.399 -9.555 1.00 0.00 C ATOM 936 C ALA A 63 0.063 -5.656 -9.380 1.00 0.00 C ATOM 937 O ALA A 63 -0.851 -6.136 -8.707 1.00 0.00 O ATOM 938 CB ALA A 63 1.334 -7.250 -10.810 1.00 0.00 C ATOM 0 H ALA A 63 1.535 -8.228 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 63 2.171 -5.656 -9.649 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.108 -6.619 -11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.301 -7.732 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.561 -8.012 -10.706 1.00 0.00 H new ATOM 944 N TYR A 64 -0.021 -4.478 -9.977 1.00 0.00 N ATOM 945 CA TYR A 64 -1.243 -3.696 -9.948 1.00 0.00 C ATOM 946 C TYR A 64 -1.590 -3.226 -11.356 1.00 0.00 C ATOM 947 O TYR A 64 -0.730 -3.182 -12.236 1.00 0.00 O ATOM 948 CB TYR A 64 -1.107 -2.495 -8.998 1.00 0.00 C ATOM 949 CG TYR A 64 -0.132 -1.423 -9.460 1.00 0.00 C ATOM 950 CD1 TYR A 64 -0.553 -0.375 -10.276 1.00 0.00 C ATOM 951 CD2 TYR A 64 1.202 -1.450 -9.071 1.00 0.00 C ATOM 952 CE1 TYR A 64 0.326 0.607 -10.693 1.00 0.00 C ATOM 953 CE2 TYR A 64 2.088 -0.467 -9.485 1.00 0.00 C ATOM 954 CZ TYR A 64 1.643 0.558 -10.293 1.00 0.00 C ATOM 955 OH TYR A 64 2.522 1.534 -10.710 1.00 0.00 O ATOM 0 H TYR A 64 0.746 -4.043 -10.489 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.049 -4.327 -9.575 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.089 -2.041 -8.867 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.790 -2.857 -8.020 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.586 -0.329 -10.589 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.554 -2.249 -8.436 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.018 1.409 -11.329 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.122 -0.504 -9.176 1.00 0.00 H new ATOM 0 HH TYR A 64 3.182 1.141 -11.319 1.00 0.00 H new ATOM 965 N LYS A 65 -2.847 -2.870 -11.562 1.00 0.00 N ATOM 966 CA LYS A 65 -3.293 -2.376 -12.852 1.00 0.00 C ATOM 967 C LYS A 65 -3.881 -0.985 -12.696 1.00 0.00 C ATOM 968 O LYS A 65 -4.514 -0.673 -11.687 1.00 0.00 O ATOM 969 CB LYS A 65 -4.325 -3.330 -13.463 1.00 0.00 C ATOM 970 CG LYS A 65 -5.626 -3.410 -12.676 1.00 0.00 C ATOM 971 CD LYS A 65 -6.470 -4.613 -13.080 1.00 0.00 C ATOM 972 CE LYS A 65 -6.889 -4.562 -14.541 1.00 0.00 C ATOM 973 NZ LYS A 65 -7.789 -5.693 -14.890 1.00 0.00 N ATOM 0 H LYS A 65 -3.577 -2.914 -10.851 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.437 -2.323 -13.525 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.546 -3.009 -14.481 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.890 -4.327 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.401 -3.467 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.200 -2.497 -12.832 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.905 -5.527 -12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.359 -4.657 -12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.395 -3.618 -14.743 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.003 -4.591 -15.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.056 -5.628 -15.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.297 -6.593 -14.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.645 -5.650 -14.301 1.00 0.00 H new ATOM 987 N VAL A 66 -3.656 -0.157 -13.695 1.00 0.00 N ATOM 988 CA VAL A 66 -4.078 1.233 -13.648 1.00 0.00 C ATOM 989 C VAL A 66 -5.445 1.405 -14.294 1.00 0.00 C ATOM 990 O VAL A 66 -5.616 1.177 -15.493 1.00 0.00 O ATOM 991 CB VAL A 66 -3.048 2.149 -14.343 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.538 3.589 -14.389 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.707 2.071 -13.633 1.00 0.00 C ATOM 0 H VAL A 66 -3.180 -0.423 -14.557 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.147 1.522 -12.599 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.925 1.801 -15.368 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.792 4.211 -14.884 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.476 3.637 -14.943 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.697 3.952 -13.374 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.991 2.722 -14.135 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.824 2.390 -12.597 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.342 1.044 -13.657 1.00 0.00 H new ATOM 1003 N ILE A 67 -6.416 1.795 -13.487 1.00 0.00 N ATOM 1004 CA ILE A 67 -7.776 1.999 -13.965 1.00 0.00 C ATOM 1005 C ILE A 67 -7.979 3.461 -14.343 1.00 0.00 C ATOM 1006 O ILE A 67 -8.423 3.782 -15.448 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.812 1.606 -12.893 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.409 0.286 -12.228 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -10.196 1.494 -13.519 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.364 -0.171 -11.148 1.00 0.00 C ATOM 0 H ILE A 67 -6.289 1.978 -12.492 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.921 1.363 -14.838 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.842 2.381 -12.127 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.342 -0.489 -12.992 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.414 0.396 -11.797 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.920 1.216 -12.753 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.477 2.453 -13.954 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.182 0.733 -14.299 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.012 -1.112 -10.725 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.414 0.584 -10.363 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.356 -0.315 -11.576 1.00 0.00 H new ATOM 1022 N SER A 68 -7.638 4.344 -13.417 1.00 0.00 N ATOM 1023 CA SER A 68 -7.734 5.775 -13.655 1.00 0.00 C ATOM 1024 C SER A 68 -6.385 6.431 -13.393 1.00 0.00 C ATOM 1025 O SER A 68 -5.577 5.917 -12.620 1.00 0.00 O ATOM 1026 CB SER A 68 -8.802 6.397 -12.761 1.00 0.00 C ATOM 1027 OG SER A 68 -10.003 5.631 -12.777 1.00 0.00 O ATOM 0 H SER A 68 -7.291 4.093 -12.491 1.00 0.00 H new ATOM 0 HA SER A 68 -8.018 5.939 -14.694 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.428 6.468 -11.740 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.012 7.413 -13.095 1.00 0.00 H new ATOM 0 HG SER A 68 -10.049 5.079 -11.969 1.00 0.00 H new ATOM 1033 N GLN A 69 -6.155 7.562 -14.030 1.00 0.00 N ATOM 1034 CA GLN A 69 -4.852 8.213 -13.989 1.00 0.00 C ATOM 1035 C GLN A 69 -4.982 9.728 -14.098 1.00 0.00 C ATOM 1036 O GLN A 69 -5.893 10.245 -14.747 1.00 0.00 O ATOM 1037 CB GLN A 69 -3.974 7.683 -15.129 1.00 0.00 C ATOM 1038 CG GLN A 69 -2.583 8.298 -15.180 1.00 0.00 C ATOM 1039 CD GLN A 69 -1.863 8.026 -16.486 1.00 0.00 C ATOM 1040 OE1 GLN A 69 -1.983 8.793 -17.442 1.00 0.00 O ATOM 1041 NE2 GLN A 69 -1.102 6.944 -16.536 1.00 0.00 N ATOM 0 H GLN A 69 -6.854 8.054 -14.586 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.389 7.984 -13.029 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.878 6.602 -15.027 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.477 7.870 -16.078 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.662 9.375 -15.033 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.988 7.906 -14.355 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.029 6.334 -15.722 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.589 6.721 -17.389 1.00 0.00 H new ATOM 1050 N SER A 70 -4.070 10.429 -13.447 1.00 0.00 N ATOM 1051 CA SER A 70 -3.946 11.860 -13.589 1.00 0.00 C ATOM 1052 C SER A 70 -2.482 12.249 -13.407 1.00 0.00 C ATOM 1053 O SER A 70 -1.761 11.607 -12.641 1.00 0.00 O ATOM 1054 CB SER A 70 -4.812 12.572 -12.551 1.00 0.00 C ATOM 1055 OG SER A 70 -4.766 13.977 -12.718 1.00 0.00 O ATOM 0 H SER A 70 -3.395 10.016 -12.804 1.00 0.00 H new ATOM 0 HA SER A 70 -4.285 12.159 -14.581 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.843 12.227 -12.636 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.470 12.311 -11.549 1.00 0.00 H new ATOM 0 HG SER A 70 -5.543 14.384 -12.281 1.00 0.00 H new ATOM 1061 N THR A 71 -2.043 13.273 -14.123 1.00 0.00 N ATOM 1062 CA THR A 71 -0.687 13.778 -13.973 1.00 0.00 C ATOM 1063 C THR A 71 -0.548 14.544 -12.663 1.00 0.00 C ATOM 1064 O THR A 71 0.550 14.679 -12.119 1.00 0.00 O ATOM 1065 CB THR A 71 -0.298 14.688 -15.152 1.00 0.00 C ATOM 1066 OG1 THR A 71 -1.303 15.694 -15.351 1.00 0.00 O ATOM 1067 CG2 THR A 71 -0.116 13.877 -16.430 1.00 0.00 C ATOM 0 H THR A 71 -2.606 13.770 -14.813 1.00 0.00 H new ATOM 0 HA THR A 71 -0.013 12.922 -13.962 1.00 0.00 H new ATOM 0 HB THR A 71 0.650 15.169 -14.912 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.046 16.269 -16.102 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.158 14.543 -17.248 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.672 13.139 -16.283 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.049 13.368 -16.674 1.00 0.00 H new ATOM 1075 N ASP A 72 -1.676 15.046 -12.171 1.00 0.00 N ATOM 1076 CA ASP A 72 -1.729 15.729 -10.888 1.00 0.00 C ATOM 1077 C ASP A 72 -3.164 15.776 -10.385 1.00 0.00 C ATOM 1078 O ASP A 72 -3.861 16.780 -10.537 1.00 0.00 O ATOM 1079 CB ASP A 72 -1.162 17.145 -10.988 1.00 0.00 C ATOM 1080 CG ASP A 72 -1.074 17.823 -9.636 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -0.137 17.510 -8.876 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -1.946 18.666 -9.326 1.00 0.00 O ATOM 0 H ASP A 72 -2.575 14.990 -12.650 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.115 15.170 -10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.170 17.106 -11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.790 17.740 -11.651 1.00 0.00 H new ATOM 1087 N GLY A 73 -3.618 14.662 -9.840 1.00 0.00 N ATOM 1088 CA GLY A 73 -4.950 14.600 -9.283 1.00 0.00 C ATOM 1089 C GLY A 73 -5.185 13.317 -8.521 1.00 0.00 C ATOM 1090 O GLY A 73 -5.020 13.273 -7.300 1.00 0.00 O ATOM 0 H GLY A 73 -3.085 13.795 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.105 15.450 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.683 14.685 -10.085 1.00 0.00 H new ATOM 1094 N SER A 74 -5.566 12.270 -9.234 1.00 0.00 N ATOM 1095 CA SER A 74 -5.825 10.992 -8.625 1.00 0.00 C ATOM 1096 C SER A 74 -5.414 9.860 -9.557 1.00 0.00 C ATOM 1097 O SER A 74 -5.470 9.991 -10.779 1.00 0.00 O ATOM 1098 CB SER A 74 -7.307 10.865 -8.308 1.00 0.00 C ATOM 1099 OG SER A 74 -7.770 11.975 -7.553 1.00 0.00 O ATOM 0 H SER A 74 -5.702 12.289 -10.245 1.00 0.00 H new ATOM 0 HA SER A 74 -5.242 10.924 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.875 10.791 -9.236 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.485 9.945 -7.752 1.00 0.00 H new ATOM 0 HG SER A 74 -8.726 11.867 -7.365 1.00 0.00 H new ATOM 1105 N ILE A 75 -4.997 8.760 -8.967 1.00 0.00 N ATOM 1106 CA ILE A 75 -4.691 7.547 -9.704 1.00 0.00 C ATOM 1107 C ILE A 75 -5.424 6.380 -9.058 1.00 0.00 C ATOM 1108 O ILE A 75 -5.408 6.226 -7.838 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.172 7.242 -9.735 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.395 8.428 -10.321 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -2.901 5.972 -10.539 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -0.928 8.143 -10.559 1.00 0.00 C ATOM 0 H ILE A 75 -4.859 8.679 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.016 7.692 -10.734 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.831 7.083 -8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.856 8.721 -11.264 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.485 9.278 -9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.830 5.771 -10.552 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.422 5.132 -10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.257 6.105 -11.561 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.448 9.029 -10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.451 7.880 -9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.827 7.314 -11.260 1.00 0.00 H new ATOM 1124 N GLU A 76 -6.085 5.578 -9.868 1.00 0.00 N ATOM 1125 CA GLU A 76 -6.836 4.448 -9.364 1.00 0.00 C ATOM 1126 C GLU A 76 -6.211 3.160 -9.860 1.00 0.00 C ATOM 1127 O GLU A 76 -6.044 2.961 -11.065 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.286 4.529 -9.813 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.166 3.429 -9.258 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.591 3.542 -9.751 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -10.791 3.703 -10.973 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.520 3.465 -8.922 1.00 0.00 O ATOM 0 H GLU A 76 -6.117 5.689 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.811 4.466 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.695 5.494 -9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.321 4.493 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.759 2.459 -9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.155 3.470 -8.169 1.00 0.00 H new ATOM 1139 N ILE A 77 -5.866 2.298 -8.930 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.182 1.059 -9.248 1.00 0.00 C ATOM 1141 C ILE A 77 -5.819 -0.112 -8.515 1.00 0.00 C ATOM 1142 O ILE A 77 -6.351 0.047 -7.420 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.681 1.122 -8.884 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -3.501 1.433 -7.392 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -2.966 2.161 -9.743 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.061 1.399 -6.931 1.00 0.00 C ATOM 0 H ILE A 77 -6.049 2.432 -7.936 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.275 0.915 -10.324 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.236 0.148 -9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.916 2.419 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.077 0.714 -6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.910 2.192 -9.473 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.064 1.893 -10.795 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.412 3.141 -9.575 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.014 1.629 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.646 0.407 -7.107 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.483 2.137 -7.487 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.764 -1.276 -9.125 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.283 -2.489 -8.515 1.00 0.00 C ATOM 1160 C GLN A 78 -5.189 -3.541 -8.466 1.00 0.00 C ATOM 1161 O GLN A 78 -4.432 -3.696 -9.427 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.505 -2.994 -9.295 1.00 0.00 C ATOM 1163 CG GLN A 78 -7.965 -4.388 -8.898 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.279 -4.781 -9.546 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -9.308 -5.247 -10.682 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -10.372 -4.657 -8.805 1.00 0.00 N ATOM 0 H GLN A 78 -5.362 -1.412 -10.052 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.604 -2.276 -7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.329 -2.296 -9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.270 -2.991 -10.359 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.198 -5.111 -9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.071 -4.436 -7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.309 -4.265 -7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.275 -4.953 -9.175 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.084 -4.234 -7.338 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.056 -5.249 -7.153 1.00 0.00 C ATOM 1177 C TYR A 79 -4.434 -6.522 -7.891 1.00 0.00 C ATOM 1178 O TYR A 79 -5.606 -6.754 -8.182 1.00 0.00 O ATOM 1179 CB TYR A 79 -3.863 -5.572 -5.668 1.00 0.00 C ATOM 1180 CG TYR A 79 -3.473 -4.387 -4.812 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -2.224 -3.793 -4.936 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -4.351 -3.877 -3.864 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -1.861 -2.722 -4.140 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -3.997 -2.805 -3.069 1.00 0.00 C ATOM 1185 CZ TYR A 79 -2.752 -2.233 -3.210 1.00 0.00 C ATOM 1186 OH TYR A 79 -2.395 -1.174 -2.411 1.00 0.00 O ATOM 0 H TYR A 79 -5.701 -4.110 -6.535 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.123 -4.853 -7.554 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.788 -5.996 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.096 -6.340 -5.573 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.525 -4.174 -5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.326 -4.326 -3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.885 -2.272 -4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.693 -2.417 -2.340 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.195 -0.804 -1.982 1.00 0.00 H new ATOM 1196 N LEU A 80 -3.438 -7.336 -8.201 1.00 0.00 N ATOM 1197 CA LEU A 80 -3.676 -8.623 -8.829 1.00 0.00 C ATOM 1198 C LEU A 80 -3.118 -9.738 -7.957 1.00 0.00 C ATOM 1199 O LEU A 80 -2.349 -9.485 -7.021 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.044 -8.667 -10.225 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.570 -7.620 -11.211 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.849 -7.735 -12.543 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -5.071 -7.775 -11.401 1.00 0.00 C ATOM 0 H LEU A 80 -2.455 -7.126 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.751 -8.766 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.966 -8.538 -10.123 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.208 -9.657 -10.650 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.376 -6.630 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.235 -6.984 -13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.781 -7.576 -12.394 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.013 -8.728 -12.961 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.428 -7.023 -12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.288 -8.769 -11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.574 -7.644 -10.443 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.500 -10.967 -8.259 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.115 -12.081 -7.423 1.00 0.00 C ATOM 1217 C GLY A 81 -4.269 -12.533 -6.559 1.00 0.00 C ATOM 1218 O GLY A 81 -5.423 -12.358 -6.939 1.00 0.00 O ATOM 0 H GLY A 81 -4.070 -11.213 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.777 -12.909 -8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.274 -11.793 -6.792 1.00 0.00 H new ATOM 1222 N PRO A 82 -3.995 -13.116 -5.381 1.00 0.00 N ATOM 1223 CA PRO A 82 -5.043 -13.537 -4.442 1.00 0.00 C ATOM 1224 C PRO A 82 -5.891 -12.360 -3.948 1.00 0.00 C ATOM 1225 O PRO A 82 -6.918 -12.549 -3.291 1.00 0.00 O ATOM 1226 CB PRO A 82 -4.261 -14.160 -3.277 1.00 0.00 C ATOM 1227 CG PRO A 82 -2.879 -13.620 -3.403 1.00 0.00 C ATOM 1228 CD PRO A 82 -2.649 -13.411 -4.872 1.00 0.00 C ATOM 0 HA PRO A 82 -5.750 -14.222 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.703 -13.891 -2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.266 -15.248 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.774 -12.684 -2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.149 -14.315 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.958 -12.589 -5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.225 -14.297 -5.344 1.00 0.00 H new ATOM 1236 N TYR A 83 -5.447 -11.147 -4.260 1.00 0.00 N ATOM 1237 CA TYR A 83 -6.174 -9.936 -3.912 1.00 0.00 C ATOM 1238 C TYR A 83 -6.456 -9.141 -5.185 1.00 0.00 C ATOM 1239 O TYR A 83 -6.085 -7.978 -5.300 1.00 0.00 O ATOM 1240 CB TYR A 83 -5.362 -9.095 -2.920 1.00 0.00 C ATOM 1241 CG TYR A 83 -4.802 -9.900 -1.765 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -5.645 -10.492 -0.832 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -3.432 -10.089 -1.625 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -5.138 -11.244 0.212 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -2.919 -10.843 -0.585 1.00 0.00 C ATOM 1246 CZ TYR A 83 -3.777 -11.417 0.331 1.00 0.00 C ATOM 1247 OH TYR A 83 -3.269 -12.179 1.361 1.00 0.00 O ATOM 0 H TYR A 83 -4.574 -10.978 -4.760 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.118 -10.201 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.540 -8.614 -3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.995 -8.300 -2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.713 -10.363 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.758 -9.640 -2.339 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.807 -11.694 0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.852 -10.982 -0.490 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.291 -12.201 1.300 1.00 0.00 H new ATOM 1257 N TYR A 84 -7.139 -9.789 -6.122 1.00 0.00 N ATOM 1258 CA TYR A 84 -7.341 -9.261 -7.458 1.00 0.00 C ATOM 1259 C TYR A 84 -8.541 -8.321 -7.555 1.00 0.00 C ATOM 1260 O TYR A 84 -8.551 -7.462 -8.427 1.00 0.00 O ATOM 1261 CB TYR A 84 -7.478 -10.410 -8.475 1.00 0.00 C ATOM 1262 CG TYR A 84 -8.627 -11.365 -8.197 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -8.501 -12.388 -7.260 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -9.841 -11.239 -8.866 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -9.547 -13.251 -6.998 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -10.893 -12.099 -8.606 1.00 0.00 C ATOM 1267 CZ TYR A 84 -10.741 -13.102 -7.672 1.00 0.00 C ATOM 1268 OH TYR A 84 -11.789 -13.955 -7.403 1.00 0.00 O ATOM 0 H TYR A 84 -7.569 -10.701 -5.971 1.00 0.00 H new ATOM 0 HA TYR A 84 -6.458 -8.667 -7.695 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.609 -9.984 -9.470 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.547 -10.977 -8.491 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.568 -12.509 -6.729 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.964 -10.457 -9.600 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.430 -14.039 -6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.829 -11.985 -9.132 1.00 0.00 H new ATOM 0 HH TYR A 84 -12.558 -13.715 -7.961 1.00 0.00 H new ATOM 1278 N PRO A 85 -9.595 -8.446 -6.718 1.00 0.00 N ATOM 1279 CA PRO A 85 -10.685 -7.514 -6.798 1.00 0.00 C ATOM 1280 C PRO A 85 -10.481 -6.294 -5.911 1.00 0.00 C ATOM 1281 O PRO A 85 -11.289 -5.365 -5.922 1.00 0.00 O ATOM 1282 CB PRO A 85 -11.905 -8.316 -6.346 1.00 0.00 C ATOM 1283 CG PRO A 85 -11.378 -9.594 -5.761 1.00 0.00 C ATOM 1284 CD PRO A 85 -9.875 -9.478 -5.710 1.00 0.00 C ATOM 0 HA PRO A 85 -10.787 -7.112 -7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -12.484 -7.760 -5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.570 -8.518 -7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.785 -9.756 -4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -11.677 -10.447 -6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.525 -9.183 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.388 -10.423 -5.952 1.00 0.00 H new ATOM 1292 N LEU A 86 -9.397 -6.294 -5.154 1.00 0.00 N ATOM 1293 CA LEU A 86 -9.137 -5.222 -4.206 1.00 0.00 C ATOM 1294 C LEU A 86 -8.354 -4.102 -4.878 1.00 0.00 C ATOM 1295 O LEU A 86 -7.234 -4.308 -5.342 1.00 0.00 O ATOM 1296 CB LEU A 86 -8.366 -5.756 -2.994 1.00 0.00 C ATOM 1297 CG LEU A 86 -8.079 -4.726 -1.898 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -9.378 -4.188 -1.314 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -7.212 -5.337 -0.808 1.00 0.00 C ATOM 0 H LEU A 86 -8.683 -7.023 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.091 -4.824 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.932 -6.579 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.418 -6.169 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.535 -3.893 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.153 -3.458 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.961 -3.711 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.952 -5.009 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.018 -4.591 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.729 -6.189 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.267 -5.669 -1.238 1.00 0.00 H new ATOM 1311 N LYS A 87 -8.950 -2.923 -4.953 1.00 0.00 N ATOM 1312 CA LYS A 87 -8.272 -1.782 -5.535 1.00 0.00 C ATOM 1313 C LYS A 87 -8.004 -0.716 -4.486 1.00 0.00 C ATOM 1314 O LYS A 87 -8.616 -0.711 -3.418 1.00 0.00 O ATOM 1315 CB LYS A 87 -9.077 -1.192 -6.695 1.00 0.00 C ATOM 1316 CG LYS A 87 -10.418 -0.602 -6.299 1.00 0.00 C ATOM 1317 CD LYS A 87 -11.060 0.103 -7.481 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.437 0.646 -7.141 1.00 0.00 C ATOM 1319 NZ LYS A 87 -13.037 1.384 -8.283 1.00 0.00 N ATOM 0 H LYS A 87 -9.895 -2.734 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.317 -2.132 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.481 -0.416 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.243 -1.972 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.077 -1.392 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.284 0.102 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.418 0.921 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.141 -0.592 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.092 -0.177 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.364 1.308 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.051 1.533 -8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.565 2.305 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.915 0.832 -9.156 1.00 0.00 H new ATOM 1333 N SER A 88 -7.095 0.184 -4.806 1.00 0.00 N ATOM 1334 CA SER A 88 -6.716 1.254 -3.917 1.00 0.00 C ATOM 1335 C SER A 88 -6.743 2.581 -4.654 1.00 0.00 C ATOM 1336 O SER A 88 -6.698 2.620 -5.886 1.00 0.00 O ATOM 1337 CB SER A 88 -5.322 1.000 -3.353 1.00 0.00 C ATOM 1338 OG SER A 88 -5.387 0.406 -2.071 1.00 0.00 O ATOM 0 H SER A 88 -6.598 0.190 -5.697 1.00 0.00 H new ATOM 0 HA SER A 88 -7.429 1.293 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.766 0.350 -4.029 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.775 1.941 -3.293 1.00 0.00 H new ATOM 0 HG SER A 88 -5.744 1.054 -1.428 1.00 0.00 H new ATOM 1344 N THR A 89 -6.817 3.661 -3.902 1.00 0.00 N ATOM 1345 CA THR A 89 -6.863 4.983 -4.485 1.00 0.00 C ATOM 1346 C THR A 89 -5.627 5.778 -4.096 1.00 0.00 C ATOM 1347 O THR A 89 -5.174 5.726 -2.953 1.00 0.00 O ATOM 1348 CB THR A 89 -8.112 5.743 -4.028 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.230 4.847 -3.993 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.423 6.903 -4.966 1.00 0.00 C ATOM 0 H THR A 89 -6.847 3.647 -2.883 1.00 0.00 H new ATOM 0 HA THR A 89 -6.896 4.865 -5.568 1.00 0.00 H new ATOM 0 HB THR A 89 -7.923 6.146 -3.033 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.029 5.332 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.314 7.424 -4.617 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.581 7.595 -4.981 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.597 6.521 -5.972 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.103 6.511 -5.053 1.00 0.00 N ATOM 1359 CA LEU A 90 -3.937 7.356 -4.844 1.00 0.00 C ATOM 1360 C LEU A 90 -4.286 8.777 -5.239 1.00 0.00 C ATOM 1361 O LEU A 90 -4.730 9.018 -6.357 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.746 6.868 -5.679 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.211 5.483 -5.318 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.122 5.069 -6.294 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -1.676 5.473 -3.895 1.00 0.00 C ATOM 0 H LEU A 90 -5.471 6.541 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.654 7.313 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.039 6.862 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.935 7.589 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.030 4.767 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.749 4.080 -6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.530 5.041 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.304 5.788 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.299 4.479 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.868 6.199 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.477 5.734 -3.203 1.00 0.00 H new ATOM 1377 N LYS A 91 -4.105 9.711 -4.332 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.462 11.091 -4.601 1.00 0.00 C ATOM 1379 C LYS A 91 -3.340 12.031 -4.202 1.00 0.00 C ATOM 1380 O LYS A 91 -2.529 11.720 -3.331 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.775 11.437 -3.897 1.00 0.00 C ATOM 1382 CG LYS A 91 -6.972 10.779 -4.567 1.00 0.00 C ATOM 1383 CD LYS A 91 -8.026 10.327 -3.573 1.00 0.00 C ATOM 1384 CE LYS A 91 -8.678 11.491 -2.854 1.00 0.00 C ATOM 1385 NZ LYS A 91 -9.870 11.055 -2.084 1.00 0.00 N ATOM 0 H LYS A 91 -3.715 9.544 -3.405 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.612 11.216 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.723 11.119 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.911 12.519 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.420 11.480 -5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.632 9.920 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.791 9.751 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.569 9.661 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.957 11.954 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.970 12.251 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.212 11.843 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.620 10.762 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.614 10.254 -1.472 1.00 0.00 H new ATOM 1399 N ARG A 92 -3.290 13.170 -4.871 1.00 0.00 N ATOM 1400 CA ARG A 92 -2.204 14.123 -4.705 1.00 0.00 C ATOM 1401 C ARG A 92 -2.243 14.793 -3.337 1.00 0.00 C ATOM 1402 O ARG A 92 -3.306 14.952 -2.734 1.00 0.00 O ATOM 1403 CB ARG A 92 -2.285 15.195 -5.788 1.00 0.00 C ATOM 1404 CG ARG A 92 -3.542 16.031 -5.680 1.00 0.00 C ATOM 1405 CD ARG A 92 -3.612 17.112 -6.741 1.00 0.00 C ATOM 1406 NE ARG A 92 -4.802 17.941 -6.563 1.00 0.00 N ATOM 1407 CZ ARG A 92 -5.225 18.850 -7.437 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -4.531 19.093 -8.541 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -6.335 19.536 -7.191 1.00 0.00 N ATOM 0 H ARG A 92 -3.999 13.461 -5.544 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.268 13.571 -4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.413 15.845 -5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.251 14.720 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.414 15.383 -5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.585 16.492 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.719 17.735 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.627 16.655 -7.731 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.346 17.814 -5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.668 18.581 -8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.861 19.791 -9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.861 19.365 -6.334 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.662 20.234 -7.859 1.00 0.00 H new ATOM 1423 N GLY A 93 -1.078 15.180 -2.858 1.00 0.00 N ATOM 1424 CA GLY A 93 -0.986 15.958 -1.654 1.00 0.00 C ATOM 1425 C GLY A 93 -0.181 17.212 -1.894 1.00 0.00 C ATOM 1426 O GLY A 93 0.686 17.237 -2.772 1.00 0.00 O ATOM 0 H GLY A 93 -0.181 14.963 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.985 16.221 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.521 15.366 -0.866 1.00 0.00 H new ATOM 1430 N GLU A 94 -0.463 18.248 -1.131 1.00 0.00 N ATOM 1431 CA GLU A 94 0.208 19.521 -1.297 1.00 0.00 C ATOM 1432 C GLU A 94 1.695 19.408 -0.978 1.00 0.00 C ATOM 1433 O GLU A 94 2.094 18.637 -0.102 1.00 0.00 O ATOM 1434 CB GLU A 94 -0.448 20.574 -0.414 1.00 0.00 C ATOM 1435 CG GLU A 94 -1.873 20.897 -0.826 1.00 0.00 C ATOM 1436 CD GLU A 94 -2.480 22.012 -0.005 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -2.205 23.193 -0.306 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -3.243 21.717 0.934 1.00 0.00 O ATOM 0 H GLU A 94 -1.158 18.233 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 94 0.114 19.823 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.445 20.226 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.148 21.486 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.887 21.178 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.487 20.002 -0.726 1.00 0.00 H new ATOM 1445 N ASN A 95 2.498 20.171 -1.717 1.00 0.00 N ATOM 1446 CA ASN A 95 3.954 20.196 -1.556 1.00 0.00 C ATOM 1447 C ASN A 95 4.585 18.861 -1.948 1.00 0.00 C ATOM 1448 O ASN A 95 5.712 18.560 -1.561 1.00 0.00 O ATOM 1449 CB ASN A 95 4.352 20.572 -0.120 1.00 0.00 C ATOM 1450 CG ASN A 95 3.900 21.969 0.257 1.00 0.00 C ATOM 1451 OD1 ASN A 95 4.585 22.953 -0.018 1.00 0.00 O ATOM 1452 ND2 ASN A 95 2.751 22.066 0.909 1.00 0.00 N ATOM 0 H ASN A 95 2.157 20.794 -2.449 1.00 0.00 H new ATOM 0 HA ASN A 95 4.336 20.963 -2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.918 19.853 0.575 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.435 20.503 -0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.406 22.980 1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.211 21.226 1.119 1.00 0.00 H new ATOM 1459 N GLY A 96 3.859 18.074 -2.737 1.00 0.00 N ATOM 1460 CA GLY A 96 4.398 16.825 -3.246 1.00 0.00 C ATOM 1461 C GLY A 96 4.278 15.682 -2.261 1.00 0.00 C ATOM 1462 O GLY A 96 5.260 15.000 -1.969 1.00 0.00 O ATOM 0 H GLY A 96 2.905 18.280 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.878 16.560 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.448 16.967 -3.503 1.00 0.00 H new ATOM 1466 N THR A 97 3.079 15.474 -1.743 1.00 0.00 N ATOM 1467 CA THR A 97 2.814 14.353 -0.858 1.00 0.00 C ATOM 1468 C THR A 97 1.784 13.416 -1.489 1.00 0.00 C ATOM 1469 O THR A 97 1.237 13.720 -2.550 1.00 0.00 O ATOM 1470 CB THR A 97 2.333 14.829 0.529 1.00 0.00 C ATOM 1471 OG1 THR A 97 1.411 15.920 0.384 1.00 0.00 O ATOM 1472 CG2 THR A 97 3.510 15.264 1.392 1.00 0.00 C ATOM 0 H THR A 97 2.271 16.070 -1.921 1.00 0.00 H new ATOM 0 HA THR A 97 3.748 13.810 -0.715 1.00 0.00 H new ATOM 0 HB THR A 97 1.832 13.994 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.907 16.747 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.145 15.595 2.364 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.192 14.425 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.036 16.084 0.903 1.00 0.00 H new ATOM 1480 N LEU A 98 1.530 12.277 -0.857 1.00 0.00 N ATOM 1481 CA LEU A 98 0.617 11.295 -1.424 1.00 0.00 C ATOM 1482 C LEU A 98 -0.455 10.892 -0.422 1.00 0.00 C ATOM 1483 O LEU A 98 -0.177 10.676 0.761 1.00 0.00 O ATOM 1484 CB LEU A 98 1.383 10.054 -1.892 1.00 0.00 C ATOM 1485 CG LEU A 98 0.537 8.979 -2.576 1.00 0.00 C ATOM 1486 CD1 LEU A 98 -0.026 9.494 -3.893 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.361 7.723 -2.802 1.00 0.00 C ATOM 0 H LEU A 98 1.939 12.013 0.039 1.00 0.00 H new ATOM 0 HA LEU A 98 0.129 11.758 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.165 10.370 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.879 9.608 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.300 8.732 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.624 8.714 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.651 10.367 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.794 9.771 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.746 6.967 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.216 7.958 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.713 7.341 -1.844 1.00 0.00 H new ATOM 1499 N ILE A 99 -1.686 10.821 -0.901 1.00 0.00 N ATOM 1500 CA ILE A 99 -2.793 10.332 -0.106 1.00 0.00 C ATOM 1501 C ILE A 99 -3.225 8.965 -0.622 1.00 0.00 C ATOM 1502 O ILE A 99 -3.746 8.845 -1.732 1.00 0.00 O ATOM 1503 CB ILE A 99 -3.988 11.307 -0.148 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -3.560 12.681 0.373 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.151 10.760 0.665 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -4.661 13.719 0.338 1.00 0.00 C ATOM 0 H ILE A 99 -1.942 11.100 -1.848 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.461 10.250 0.929 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.319 11.414 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.205 12.576 1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.718 13.038 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.985 11.461 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.463 9.800 0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.840 10.627 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.281 14.666 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.001 13.855 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.495 13.385 0.955 1.00 0.00 H new ATOM 1518 N TRP A 100 -2.980 7.938 0.174 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.296 6.575 -0.222 1.00 0.00 C ATOM 1520 C TRP A 100 -4.531 6.082 0.519 1.00 0.00 C ATOM 1521 O TRP A 100 -4.545 6.009 1.749 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.095 5.655 0.048 1.00 0.00 C ATOM 1523 CG TRP A 100 -2.325 4.201 -0.276 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -3.137 3.681 -1.247 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -1.713 3.079 0.371 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -3.073 2.309 -1.229 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -2.203 1.918 -0.251 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -0.795 2.943 1.415 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -1.814 0.641 0.139 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 -0.409 1.674 1.800 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -0.916 0.538 1.163 1.00 0.00 C ATOM 0 H TRP A 100 -2.562 8.022 1.101 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.510 6.558 -1.291 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.245 6.012 -0.533 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -1.820 5.739 1.099 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -3.740 4.264 -1.928 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.591 1.683 -1.846 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.394 3.814 1.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -2.208 -0.238 -0.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 0.298 1.557 2.608 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.592 -0.440 1.487 1.00 0.00 H new ATOM 1542 N GLU A 101 -5.574 5.769 -0.233 1.00 0.00 N ATOM 1543 CA GLU A 101 -6.773 5.193 0.337 1.00 0.00 C ATOM 1544 C GLU A 101 -6.812 3.702 0.071 1.00 0.00 C ATOM 1545 O GLU A 101 -6.580 3.240 -1.050 1.00 0.00 O ATOM 1546 CB GLU A 101 -8.019 5.880 -0.212 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.344 7.165 0.529 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.480 7.958 -0.086 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -9.217 8.774 -0.990 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -10.638 7.797 0.358 1.00 0.00 O ATOM 0 H GLU A 101 -5.611 5.906 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.756 5.350 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.873 6.100 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.867 5.199 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.599 6.923 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.452 7.791 0.560 1.00 0.00 H new ATOM 1557 N GLN A 102 -7.106 2.962 1.116 1.00 0.00 N ATOM 1558 CA GLN A 102 -7.050 1.509 1.068 1.00 0.00 C ATOM 1559 C GLN A 102 -8.049 0.913 2.052 1.00 0.00 C ATOM 1560 O GLN A 102 -8.026 1.248 3.238 1.00 0.00 O ATOM 1561 CB GLN A 102 -5.623 1.041 1.384 1.00 0.00 C ATOM 1562 CG GLN A 102 -5.365 -0.429 1.091 1.00 0.00 C ATOM 1563 CD GLN A 102 -5.202 -1.261 2.345 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -5.814 -0.982 3.375 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -4.359 -2.277 2.273 1.00 0.00 N ATOM 0 H GLN A 102 -7.389 3.342 2.019 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.316 1.167 0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.920 1.643 0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.416 1.231 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.191 -0.827 0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.466 -0.520 0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.871 -2.474 1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.196 -2.864 3.091 1.00 0.00 H new ATOM 1574 N ASN A 103 -8.940 0.066 1.540 1.00 0.00 N ATOM 1575 CA ASN A 103 -9.956 -0.608 2.355 1.00 0.00 C ATOM 1576 C ASN A 103 -10.897 0.397 3.007 1.00 0.00 C ATOM 1577 O ASN A 103 -11.540 0.098 4.011 1.00 0.00 O ATOM 1578 CB ASN A 103 -9.315 -1.497 3.427 1.00 0.00 C ATOM 1579 CG ASN A 103 -8.976 -2.887 2.920 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -9.832 -3.772 2.883 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -7.724 -3.099 2.555 1.00 0.00 N ATOM 0 H ASN A 103 -8.980 -0.174 0.549 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.535 -1.242 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.407 -1.018 3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.994 -1.581 4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.437 -4.022 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.044 -2.340 2.600 1.00 0.00 H new ATOM 1588 N GLY A 104 -10.982 1.586 2.426 1.00 0.00 N ATOM 1589 CA GLY A 104 -11.873 2.601 2.945 1.00 0.00 C ATOM 1590 C GLY A 104 -11.182 3.572 3.883 1.00 0.00 C ATOM 1591 O GLY A 104 -11.773 4.573 4.287 1.00 0.00 O ATOM 0 H GLY A 104 -10.448 1.865 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.308 3.155 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.696 2.119 3.472 1.00 0.00 H new ATOM 1595 N GLN A 105 -9.936 3.282 4.240 1.00 0.00 N ATOM 1596 CA GLN A 105 -9.178 4.167 5.113 1.00 0.00 C ATOM 1597 C GLN A 105 -8.354 5.142 4.281 1.00 0.00 C ATOM 1598 O GLN A 105 -7.699 4.741 3.318 1.00 0.00 O ATOM 1599 CB GLN A 105 -8.247 3.356 6.017 1.00 0.00 C ATOM 1600 CG GLN A 105 -8.938 2.231 6.766 1.00 0.00 C ATOM 1601 CD GLN A 105 -7.991 1.480 7.682 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -6.788 1.390 7.420 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -8.526 0.929 8.757 1.00 0.00 N ATOM 0 H GLN A 105 -9.433 2.447 3.940 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.881 4.724 5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.444 2.936 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.783 4.028 6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.760 2.640 7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.374 1.535 6.049 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.525 1.027 8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.940 0.406 9.407 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.390 6.413 4.654 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.594 7.429 3.979 1.00 0.00 C ATOM 1614 C ARG A 106 -6.354 7.755 4.802 1.00 0.00 C ATOM 1615 O ARG A 106 -6.457 8.044 5.993 1.00 0.00 O ATOM 1616 CB ARG A 106 -8.411 8.703 3.754 1.00 0.00 C ATOM 1617 CG ARG A 106 -7.675 9.744 2.923 1.00 0.00 C ATOM 1618 CD ARG A 106 -8.516 10.989 2.699 1.00 0.00 C ATOM 1619 NE ARG A 106 -8.700 11.761 3.927 1.00 0.00 N ATOM 1620 CZ ARG A 106 -9.768 12.516 4.175 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -10.734 12.618 3.270 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -9.860 13.180 5.322 1.00 0.00 N ATOM 0 H ARG A 106 -8.962 6.766 5.421 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.292 7.034 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.346 8.445 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.672 9.136 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.747 10.018 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.402 9.313 1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.039 11.616 1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.490 10.701 2.304 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.967 11.719 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.658 12.118 2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.552 13.197 3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.112 13.111 6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.678 13.759 5.512 1.00 0.00 H new ATOM 1636 N LYS A 107 -5.187 7.695 4.185 1.00 0.00 N ATOM 1637 CA LYS A 107 -3.961 8.051 4.878 1.00 0.00 C ATOM 1638 C LYS A 107 -3.159 9.078 4.104 1.00 0.00 C ATOM 1639 O LYS A 107 -3.061 9.018 2.880 1.00 0.00 O ATOM 1640 CB LYS A 107 -3.103 6.819 5.149 1.00 0.00 C ATOM 1641 CG LYS A 107 -3.600 5.958 6.299 1.00 0.00 C ATOM 1642 CD LYS A 107 -3.063 6.412 7.651 1.00 0.00 C ATOM 1643 CE LYS A 107 -3.592 7.773 8.049 1.00 0.00 C ATOM 1644 NZ LYS A 107 -3.075 8.215 9.369 1.00 0.00 N ATOM 0 H LYS A 107 -5.062 7.406 3.215 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.252 8.492 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.063 6.211 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.083 7.139 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.690 5.981 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.306 4.923 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.336 5.681 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.974 6.444 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.315 8.504 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.681 7.742 8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.838 9.227 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.802 8.059 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.223 7.669 9.608 1.00 0.00 H new ATOM 1658 N THR A 108 -2.602 10.021 4.834 1.00 0.00 N ATOM 1659 CA THR A 108 -1.735 11.026 4.253 1.00 0.00 C ATOM 1660 C THR A 108 -0.293 10.724 4.645 1.00 0.00 C ATOM 1661 O THR A 108 0.065 10.789 5.821 1.00 0.00 O ATOM 1662 CB THR A 108 -2.130 12.438 4.730 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.536 12.644 4.522 1.00 0.00 O ATOM 1664 CG2 THR A 108 -1.344 13.506 3.983 1.00 0.00 C ATOM 0 H THR A 108 -2.736 10.113 5.841 1.00 0.00 H new ATOM 0 HA THR A 108 -1.837 10.999 3.168 1.00 0.00 H new ATOM 0 HB THR A 108 -1.898 12.517 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.784 13.541 4.828 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.642 14.492 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.278 13.363 4.159 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.549 13.428 2.915 1.00 0.00 H new ATOM 1672 N MET A 109 0.524 10.386 3.662 1.00 0.00 N ATOM 1673 CA MET A 109 1.871 9.914 3.930 1.00 0.00 C ATOM 1674 C MET A 109 2.919 10.820 3.300 1.00 0.00 C ATOM 1675 O MET A 109 2.685 11.431 2.252 1.00 0.00 O ATOM 1676 CB MET A 109 2.030 8.477 3.427 1.00 0.00 C ATOM 1677 CG MET A 109 1.529 8.258 2.010 1.00 0.00 C ATOM 1678 SD MET A 109 1.533 6.517 1.537 1.00 0.00 S ATOM 1679 CE MET A 109 0.538 5.808 2.849 1.00 0.00 C ATOM 0 H MET A 109 0.278 10.430 2.673 1.00 0.00 H new ATOM 0 HA MET A 109 2.028 9.935 5.008 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.083 8.201 3.475 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.493 7.807 4.099 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.517 8.653 1.921 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.153 8.821 1.316 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.329 4.762 2.623 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.080 5.874 3.793 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.401 6.356 2.931 1.00 0.00 H new ATOM 1689 N THR A 110 4.067 10.910 3.953 1.00 0.00 N ATOM 1690 CA THR A 110 5.164 11.726 3.465 1.00 0.00 C ATOM 1691 C THR A 110 6.177 10.863 2.720 1.00 0.00 C ATOM 1692 O THR A 110 6.313 9.666 2.989 1.00 0.00 O ATOM 1693 CB THR A 110 5.869 12.448 4.626 1.00 0.00 C ATOM 1694 OG1 THR A 110 4.914 12.773 5.648 1.00 0.00 O ATOM 1695 CG2 THR A 110 6.550 13.725 4.145 1.00 0.00 C ATOM 0 H THR A 110 4.262 10.424 4.828 1.00 0.00 H new ATOM 0 HA THR A 110 4.750 12.470 2.785 1.00 0.00 H new ATOM 0 HB THR A 110 6.630 11.780 5.029 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.368 13.231 6.386 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.040 14.215 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.292 13.478 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.805 14.396 3.718 1.00 0.00 H new ATOM 1703 N ARG A 111 6.883 11.475 1.786 1.00 0.00 N ATOM 1704 CA ARG A 111 7.855 10.765 0.970 1.00 0.00 C ATOM 1705 C ARG A 111 9.190 10.683 1.690 1.00 0.00 C ATOM 1706 O ARG A 111 9.751 11.705 2.086 1.00 0.00 O ATOM 1707 CB ARG A 111 8.018 11.470 -0.378 1.00 0.00 C ATOM 1708 CG ARG A 111 9.079 10.857 -1.276 1.00 0.00 C ATOM 1709 CD ARG A 111 9.147 11.578 -2.612 1.00 0.00 C ATOM 1710 NE ARG A 111 10.326 11.195 -3.392 1.00 0.00 N ATOM 1711 CZ ARG A 111 10.636 11.717 -4.578 1.00 0.00 C ATOM 1712 NH1 ARG A 111 9.839 12.615 -5.145 1.00 0.00 N ATOM 1713 NH2 ARG A 111 11.747 11.343 -5.201 1.00 0.00 N ATOM 0 H ARG A 111 6.801 12.469 1.572 1.00 0.00 H new ATOM 0 HA ARG A 111 7.496 9.751 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.062 11.455 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.268 12.516 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.050 10.906 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.857 9.802 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.247 11.359 -3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.161 12.654 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 111 10.948 10.486 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.984 12.909 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.082 13.011 -6.053 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.365 10.655 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.982 11.744 -6.109 1.00 0.00 H new ATOM 1727 N ILE A 112 9.687 9.470 1.869 1.00 0.00 N ATOM 1728 CA ILE A 112 10.975 9.260 2.512 1.00 0.00 C ATOM 1729 C ILE A 112 12.093 9.651 1.549 1.00 0.00 C ATOM 1730 O ILE A 112 11.896 9.647 0.332 1.00 0.00 O ATOM 1731 CB ILE A 112 11.152 7.785 2.947 1.00 0.00 C ATOM 1732 CG1 ILE A 112 9.914 7.298 3.703 1.00 0.00 C ATOM 1733 CG2 ILE A 112 12.395 7.615 3.813 1.00 0.00 C ATOM 1734 CD1 ILE A 112 9.616 8.066 4.974 1.00 0.00 C ATOM 0 H ILE A 112 9.217 8.613 1.577 1.00 0.00 H new ATOM 0 HA ILE A 112 11.019 9.883 3.405 1.00 0.00 H new ATOM 0 HB ILE A 112 11.276 7.182 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.050 7.364 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.046 6.245 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.495 6.569 4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.276 7.920 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.304 8.233 4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.723 7.656 5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.461 7.980 5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.449 9.116 4.734 1.00 0.00 H new ATOM 1746 N GLU A 113 13.247 10.017 2.089 1.00 0.00 N ATOM 1747 CA GLU A 113 14.389 10.396 1.271 1.00 0.00 C ATOM 1748 C GLU A 113 14.982 9.163 0.602 1.00 0.00 C ATOM 1749 O GLU A 113 15.846 8.485 1.165 1.00 0.00 O ATOM 1750 CB GLU A 113 15.459 11.099 2.102 1.00 0.00 C ATOM 1751 CG GLU A 113 15.062 12.479 2.625 1.00 0.00 C ATOM 1752 CD GLU A 113 13.863 12.460 3.556 1.00 0.00 C ATOM 1753 OE1 GLU A 113 13.872 11.692 4.539 1.00 0.00 O ATOM 1754 OE2 GLU A 113 12.895 13.213 3.308 1.00 0.00 O ATOM 0 H GLU A 113 13.417 10.059 3.094 1.00 0.00 H new ATOM 0 HA GLU A 113 14.040 11.092 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 113 15.715 10.464 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 113 16.360 11.201 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.911 12.916 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.842 13.129 1.778 1.00 0.00 H new