USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 740 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 82 THR OG1 : rot 98:sc= 0.914 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= -0.0949 USER MOD Set 2.1: A 67 HIS :FLIP no HE2:sc= -0.0998 F(o=-2.5,f=-0.1) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= -0.0173 USER MOD Set 3.2: A 37 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 23 HIS :FLIP no HD1:sc= 0.146 F(o=-1.5!,f=0.15) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -75:sc= 0.523 USER MOD Single : A 33 SER OG : rot 180:sc=-0.00621 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 0.0066 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.646 K(o=0.65,f=-0.82) USER MOD Single : A 49 THR OG1 : rot -14:sc= 0.443 USER MOD Single : A 51 TYR OH : rot 165:sc= -1.97 USER MOD Single : A 54 SER OG : rot -150:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.7 K(o=-1.7,f=-3.5!) USER MOD Single : A 61 THR OG1 : rot -45:sc= 0.00367 USER MOD Single : A 62 ASN : amide:sc=-0.00058 X(o=-0.00058,f=0) USER MOD Single : A 63 THR OG1 : rot -61:sc= 1.04 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.18!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 75:sc= 0.761 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 94 MET CE :methyl -121:sc= -5.62! (180deg=-6.14!) USER MOD Single : A 95 THR OG1 : rot 152:sc= -0.754 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -5.46! C(o=-8.1!,f=-5.5!) USER MOD Single : A 101 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.3!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -139:sc= -0.778! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.364 -0.584 -13.337 1.00 0.00 N ATOM 203 CA ASP A 16 17.205 0.096 -12.367 1.00 0.00 C ATOM 204 C ASP A 16 16.463 0.190 -11.032 1.00 0.00 C ATOM 205 O ASP A 16 16.957 -0.280 -10.008 1.00 0.00 O ATOM 206 CB ASP A 16 17.537 1.517 -12.824 1.00 0.00 C ATOM 207 CG ASP A 16 18.748 2.152 -12.138 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.729 2.204 -10.889 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.665 2.571 -12.877 1.00 0.00 O ATOM 0 HA ASP A 16 18.128 -0.474 -12.264 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.713 1.504 -13.900 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.667 2.150 -12.651 1.00 0.00 H new ATOM 214 N VAL A 17 15.288 0.799 -11.087 1.00 0.00 N ATOM 215 CA VAL A 17 14.473 0.961 -9.895 1.00 0.00 C ATOM 216 C VAL A 17 14.477 -0.345 -9.098 1.00 0.00 C ATOM 217 O VAL A 17 14.880 -1.388 -9.611 1.00 0.00 O ATOM 218 CB VAL A 17 13.065 1.420 -10.282 1.00 0.00 C ATOM 219 CG1 VAL A 17 13.015 2.938 -10.465 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.581 0.699 -11.542 1.00 0.00 C ATOM 0 H VAL A 17 14.881 1.186 -11.938 1.00 0.00 H new ATOM 0 HA VAL A 17 14.888 1.736 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 17 12.391 1.159 -9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.004 3.238 -10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.298 3.426 -9.533 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.708 3.232 -11.253 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.578 1.043 -11.796 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.259 0.915 -12.368 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.561 -0.376 -11.361 1.00 0.00 H new ATOM 230 N PRO A 18 14.014 -0.243 -7.824 1.00 0.00 N ATOM 231 CA PRO A 18 13.961 -1.403 -6.951 1.00 0.00 C ATOM 232 C PRO A 18 12.802 -2.326 -7.335 1.00 0.00 C ATOM 233 O PRO A 18 12.062 -2.040 -8.275 1.00 0.00 O ATOM 234 CB PRO A 18 13.827 -0.834 -5.548 1.00 0.00 C ATOM 235 CG PRO A 18 13.343 0.596 -5.723 1.00 0.00 C ATOM 236 CD PRO A 18 13.529 0.976 -7.183 1.00 0.00 C ATOM 0 HA PRO A 18 14.850 -2.029 -7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.120 -1.416 -4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.782 -0.862 -5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.295 0.682 -5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.906 1.271 -5.078 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.592 1.311 -7.627 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.243 1.792 -7.292 1.00 0.00 H new ATOM 244 N GLY A 19 12.682 -3.413 -6.588 1.00 0.00 N ATOM 245 CA GLY A 19 11.626 -4.380 -6.839 1.00 0.00 C ATOM 246 C GLY A 19 10.510 -4.254 -5.800 1.00 0.00 C ATOM 247 O GLY A 19 10.281 -3.174 -5.257 1.00 0.00 O ATOM 0 H GLY A 19 13.298 -3.646 -5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.217 -4.227 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.038 -5.389 -6.815 1.00 0.00 H new ATOM 251 N PRO A 20 9.826 -5.403 -5.548 1.00 0.00 N ATOM 252 CA PRO A 20 8.739 -5.431 -4.585 1.00 0.00 C ATOM 253 C PRO A 20 9.276 -5.396 -3.152 1.00 0.00 C ATOM 254 O PRO A 20 10.162 -6.172 -2.798 1.00 0.00 O ATOM 255 CB PRO A 20 7.968 -6.703 -4.899 1.00 0.00 C ATOM 256 CG PRO A 20 8.912 -7.572 -5.715 1.00 0.00 C ATOM 257 CD PRO A 20 10.069 -6.700 -6.173 1.00 0.00 C ATOM 0 HA PRO A 20 8.089 -4.559 -4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.663 -7.211 -3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.059 -6.481 -5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.277 -8.406 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.393 -7.999 -6.573 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.027 -7.117 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.096 -6.617 -7.259 1.00 0.00 H new ATOM 265 N VAL A 21 8.716 -4.488 -2.367 1.00 0.00 N ATOM 266 CA VAL A 21 9.127 -4.341 -0.981 1.00 0.00 C ATOM 267 C VAL A 21 8.999 -5.690 -0.270 1.00 0.00 C ATOM 268 O VAL A 21 8.727 -6.707 -0.906 1.00 0.00 O ATOM 269 CB VAL A 21 8.315 -3.232 -0.309 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.839 -1.851 -0.707 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.827 -3.368 -0.633 1.00 0.00 C ATOM 0 H VAL A 21 7.981 -3.846 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 21 10.173 -4.040 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 21 8.433 -3.337 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.244 -1.081 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.881 -1.755 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.766 -1.732 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.273 -2.567 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.682 -3.302 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.464 -4.332 -0.276 1.00 0.00 H new ATOM 281 N GLY A 22 9.201 -5.655 1.039 1.00 0.00 N ATOM 282 CA GLY A 22 9.111 -6.862 1.843 1.00 0.00 C ATOM 283 C GLY A 22 7.715 -7.480 1.750 1.00 0.00 C ATOM 284 O GLY A 22 7.044 -7.357 0.727 1.00 0.00 O ATOM 0 H GLY A 22 9.427 -4.809 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.855 -7.584 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.341 -6.629 2.883 1.00 0.00 H new ATOM 288 N HIS A 23 7.318 -8.131 2.834 1.00 0.00 N ATOM 289 CA HIS A 23 6.013 -8.768 2.888 1.00 0.00 C ATOM 290 C HIS A 23 4.993 -7.799 3.488 1.00 0.00 C ATOM 291 O HIS A 23 5.110 -7.409 4.649 1.00 0.00 O ATOM 292 CB HIS A 23 6.088 -10.095 3.646 1.00 0.00 C ATOM 293 CG HIS A 23 7.477 -10.683 3.720 1.00 0.00 C ATOM 294 ND1 HIS A 23 8.585 -10.268 4.398 1.00 0.00 N flip ATOM 295 CD2 HIS A 23 7.842 -11.833 3.042 1.00 0.00 C flip ATOM 296 CE1 HIS A 23 9.573 -11.118 4.148 1.00 0.00 C flip ATOM 297 NE2 HIS A 23 9.114 -12.089 3.307 1.00 0.00 N flip ATOM 0 H HIS A 23 7.877 -8.231 3.681 1.00 0.00 H new ATOM 0 HA HIS A 23 5.681 -9.011 1.879 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.714 -9.945 4.659 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.425 -10.814 3.165 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.199 -12.422 2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.575 -11.052 4.545 1.00 0.00 H new ATOM 0 HE2 HIS A 23 9.655 -12.874 2.946 1.00 0.00 H new ATOM 305 N LEU A 24 4.015 -7.438 2.670 1.00 0.00 N ATOM 306 CA LEU A 24 2.975 -6.522 3.106 1.00 0.00 C ATOM 307 C LEU A 24 2.222 -7.136 4.288 1.00 0.00 C ATOM 308 O LEU A 24 2.065 -8.354 4.363 1.00 0.00 O ATOM 309 CB LEU A 24 2.071 -6.140 1.932 1.00 0.00 C ATOM 310 CG LEU A 24 2.165 -4.689 1.457 1.00 0.00 C ATOM 311 CD1 LEU A 24 3.300 -4.516 0.446 1.00 0.00 C ATOM 312 CD2 LEU A 24 0.824 -4.206 0.900 1.00 0.00 C ATOM 0 H LEU A 24 3.921 -7.763 1.708 1.00 0.00 H new ATOM 0 HA LEU A 24 3.413 -5.588 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.306 -6.793 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.038 -6.343 2.214 1.00 0.00 H new ATOM 0 HG LEU A 24 2.401 -4.063 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.345 -3.476 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.246 -4.794 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.118 -5.155 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.919 -3.172 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.534 -4.832 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.063 -4.270 1.677 1.00 0.00 H new ATOM 324 N SER A 25 1.777 -6.266 5.182 1.00 0.00 N ATOM 325 CA SER A 25 1.045 -6.707 6.357 1.00 0.00 C ATOM 326 C SER A 25 -0.050 -5.696 6.702 1.00 0.00 C ATOM 327 O SER A 25 -0.080 -4.596 6.151 1.00 0.00 O ATOM 328 CB SER A 25 1.983 -6.902 7.549 1.00 0.00 C ATOM 329 OG SER A 25 3.275 -7.346 7.146 1.00 0.00 O ATOM 0 H SER A 25 1.909 -5.257 5.116 1.00 0.00 H new ATOM 0 HA SER A 25 0.584 -7.669 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.076 -5.963 8.094 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.549 -7.628 8.237 1.00 0.00 H new ATOM 0 HG SER A 25 3.844 -7.457 7.936 1.00 0.00 H new ATOM 335 N PHE A 26 -0.922 -6.104 7.612 1.00 0.00 N ATOM 336 CA PHE A 26 -2.016 -5.247 8.037 1.00 0.00 C ATOM 337 C PHE A 26 -2.346 -5.471 9.514 1.00 0.00 C ATOM 338 O PHE A 26 -2.116 -6.555 10.047 1.00 0.00 O ATOM 339 CB PHE A 26 -3.234 -5.623 7.191 1.00 0.00 C ATOM 340 CG PHE A 26 -3.018 -5.467 5.685 1.00 0.00 C ATOM 341 CD1 PHE A 26 -3.086 -4.235 5.112 1.00 0.00 C ATOM 342 CD2 PHE A 26 -2.758 -6.560 4.918 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.885 -4.090 3.714 1.00 0.00 C ATOM 344 CE2 PHE A 26 -2.558 -6.415 3.520 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.626 -5.183 2.947 1.00 0.00 C ATOM 0 H PHE A 26 -0.893 -7.017 8.067 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.740 -4.200 7.909 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.506 -6.657 7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.078 -5.003 7.493 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.293 -3.367 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.704 -7.538 5.373 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.938 -3.112 3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.352 -7.283 2.911 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.474 -5.073 1.883 1.00 0.00 H new ATOM 355 N SER A 27 -2.880 -4.429 10.133 1.00 0.00 N ATOM 356 CA SER A 27 -3.244 -4.498 11.538 1.00 0.00 C ATOM 357 C SER A 27 -4.285 -3.425 11.863 1.00 0.00 C ATOM 358 O SER A 27 -4.557 -2.550 11.042 1.00 0.00 O ATOM 359 CB SER A 27 -2.015 -4.334 12.434 1.00 0.00 C ATOM 360 OG SER A 27 -1.705 -5.533 13.139 1.00 0.00 O ATOM 0 H SER A 27 -3.070 -3.531 9.687 1.00 0.00 H new ATOM 0 HA SER A 27 -3.673 -5.481 11.732 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.160 -4.039 11.826 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.191 -3.529 13.147 1.00 0.00 H new ATOM 0 HG SER A 27 -0.914 -5.388 13.699 1.00 0.00 H new ATOM 366 N GLU A 28 -4.840 -3.527 13.061 1.00 0.00 N ATOM 367 CA GLU A 28 -5.845 -2.576 13.505 1.00 0.00 C ATOM 368 C GLU A 28 -6.816 -2.260 12.365 1.00 0.00 C ATOM 369 O GLU A 28 -7.005 -1.098 12.010 1.00 0.00 O ATOM 370 CB GLU A 28 -5.194 -1.300 14.040 1.00 0.00 C ATOM 371 CG GLU A 28 -4.405 -1.582 15.320 1.00 0.00 C ATOM 372 CD GLU A 28 -5.339 -1.695 16.526 1.00 0.00 C ATOM 373 OE1 GLU A 28 -5.876 -2.806 16.726 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.496 -0.668 17.221 1.00 0.00 O ATOM 0 H GLU A 28 -4.613 -4.254 13.739 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.408 -3.027 14.322 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.530 -0.882 13.284 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.961 -0.552 14.239 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.839 -2.506 15.206 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.682 -0.784 15.489 1.00 0.00 H new ATOM 381 N ILE A 29 -7.406 -3.316 11.823 1.00 0.00 N ATOM 382 CA ILE A 29 -8.353 -3.165 10.731 1.00 0.00 C ATOM 383 C ILE A 29 -9.738 -2.855 11.302 1.00 0.00 C ATOM 384 O ILE A 29 -10.157 -3.460 12.288 1.00 0.00 O ATOM 385 CB ILE A 29 -8.323 -4.397 9.823 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.885 -4.816 9.514 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.137 -4.159 8.550 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.816 -5.627 8.219 1.00 0.00 C ATOM 0 H ILE A 29 -7.247 -4.279 12.120 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.074 -2.323 10.097 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.792 -5.225 10.355 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.255 -3.931 9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.490 -5.408 10.339 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.099 -5.049 7.922 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.172 -3.945 8.815 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.720 -3.313 8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.782 -5.912 8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.427 -6.524 8.318 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.189 -5.024 7.391 1.00 0.00 H new ATOM 400 N LEU A 30 -10.410 -1.913 10.658 1.00 0.00 N ATOM 401 CA LEU A 30 -11.740 -1.514 11.089 1.00 0.00 C ATOM 402 C LEU A 30 -12.760 -1.921 10.024 1.00 0.00 C ATOM 403 O LEU A 30 -12.841 -3.091 9.652 1.00 0.00 O ATOM 404 CB LEU A 30 -11.768 -0.023 11.430 1.00 0.00 C ATOM 405 CG LEU A 30 -10.949 0.401 12.651 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.330 -0.426 13.880 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.450 0.334 12.356 1.00 0.00 C ATOM 0 H LEU A 30 -10.059 -1.414 9.841 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.014 -2.032 12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.409 0.534 10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.804 0.273 11.592 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.185 1.441 12.877 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.733 -0.105 14.734 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.388 -0.282 14.102 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.141 -1.481 13.682 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.891 0.640 13.240 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.177 -0.687 12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.212 1.001 11.527 1.00 0.00 H new ATOM 419 N ASP A 31 -13.512 -0.933 9.563 1.00 0.00 N ATOM 420 CA ASP A 31 -14.524 -1.173 8.547 1.00 0.00 C ATOM 421 C ASP A 31 -14.121 -0.462 7.254 1.00 0.00 C ATOM 422 O ASP A 31 -14.407 -0.946 6.160 1.00 0.00 O ATOM 423 CB ASP A 31 -15.884 -0.626 8.984 1.00 0.00 C ATOM 424 CG ASP A 31 -15.831 0.692 9.761 1.00 0.00 C ATOM 425 OD1 ASP A 31 -15.335 1.677 9.173 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.289 0.684 10.924 1.00 0.00 O ATOM 0 H ASP A 31 -13.441 0.036 9.874 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.601 -2.250 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.503 -0.484 8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.379 -1.375 9.602 1.00 0.00 H new ATOM 431 N THR A 32 -13.463 0.676 7.422 1.00 0.00 N ATOM 432 CA THR A 32 -13.018 1.459 6.282 1.00 0.00 C ATOM 433 C THR A 32 -11.645 2.073 6.560 1.00 0.00 C ATOM 434 O THR A 32 -11.258 3.051 5.922 1.00 0.00 O ATOM 435 CB THR A 32 -14.097 2.498 5.972 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.071 3.372 7.097 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.507 1.903 5.995 1.00 0.00 C ATOM 0 H THR A 32 -13.227 1.074 8.331 1.00 0.00 H new ATOM 0 HA THR A 32 -12.886 0.833 5.399 1.00 0.00 H new ATOM 0 HB THR A 32 -13.905 2.939 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.500 2.934 7.861 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.235 2.682 5.769 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.580 1.111 5.250 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.712 1.491 6.983 1.00 0.00 H new ATOM 445 N SER A 33 -10.946 1.474 7.513 1.00 0.00 N ATOM 446 CA SER A 33 -9.624 1.950 7.883 1.00 0.00 C ATOM 447 C SER A 33 -8.766 0.783 8.374 1.00 0.00 C ATOM 448 O SER A 33 -9.201 -0.001 9.217 1.00 0.00 O ATOM 449 CB SER A 33 -9.711 3.035 8.959 1.00 0.00 C ATOM 450 OG SER A 33 -10.872 2.889 9.771 1.00 0.00 O ATOM 0 H SER A 33 -11.270 0.663 8.040 1.00 0.00 H new ATOM 0 HA SER A 33 -9.158 2.388 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.821 2.994 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.721 4.016 8.484 1.00 0.00 H new ATOM 0 HG SER A 33 -10.890 3.599 10.446 1.00 0.00 H new ATOM 456 N LEU A 34 -7.562 0.703 7.826 1.00 0.00 N ATOM 457 CA LEU A 34 -6.639 -0.355 8.198 1.00 0.00 C ATOM 458 C LEU A 34 -5.203 0.149 8.046 1.00 0.00 C ATOM 459 O LEU A 34 -4.932 1.024 7.225 1.00 0.00 O ATOM 460 CB LEU A 34 -6.932 -1.627 7.399 1.00 0.00 C ATOM 461 CG LEU A 34 -6.861 -1.494 5.877 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.411 -1.536 5.390 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.727 -2.553 5.192 1.00 0.00 C ATOM 0 H LEU A 34 -7.205 1.354 7.127 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.773 -0.626 9.245 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.227 -2.398 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.928 -1.979 7.667 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.266 -0.520 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.389 -1.439 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.852 -0.715 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.957 -2.484 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.658 -2.435 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.377 -3.546 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.764 -2.433 5.505 1.00 0.00 H new ATOM 475 N LYS A 35 -4.320 -0.424 8.850 1.00 0.00 N ATOM 476 CA LYS A 35 -2.918 -0.043 8.815 1.00 0.00 C ATOM 477 C LYS A 35 -2.161 -0.986 7.878 1.00 0.00 C ATOM 478 O LYS A 35 -2.375 -2.197 7.904 1.00 0.00 O ATOM 479 CB LYS A 35 -2.341 0.009 10.232 1.00 0.00 C ATOM 480 CG LYS A 35 -1.128 0.939 10.296 1.00 0.00 C ATOM 481 CD LYS A 35 0.159 0.186 9.951 1.00 0.00 C ATOM 482 CE LYS A 35 0.782 -0.434 11.203 1.00 0.00 C ATOM 483 NZ LYS A 35 0.909 -1.900 11.047 1.00 0.00 N ATOM 0 H LYS A 35 -4.548 -1.149 9.530 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.807 0.964 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.106 0.355 10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.052 -0.993 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.265 1.769 9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.046 1.368 11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.057 -0.595 9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.870 0.868 9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.763 0.005 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.166 -0.207 12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.334 -2.305 11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.032 -2.316 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.515 -2.111 10.229 1.00 0.00 H new ATOM 497 N VAL A 36 -1.291 -0.395 7.072 1.00 0.00 N ATOM 498 CA VAL A 36 -0.501 -1.167 6.128 1.00 0.00 C ATOM 499 C VAL A 36 0.971 -1.117 6.540 1.00 0.00 C ATOM 500 O VAL A 36 1.443 -0.100 7.046 1.00 0.00 O ATOM 501 CB VAL A 36 -0.741 -0.658 4.705 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.229 -1.310 3.718 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.193 -0.886 4.279 1.00 0.00 C ATOM 0 H VAL A 36 -1.116 0.610 7.053 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.807 -2.213 6.141 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.554 0.416 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.037 -0.931 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.254 -1.074 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.089 -2.391 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.337 -0.515 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.419 -1.952 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.859 -0.353 4.958 1.00 0.00 H new ATOM 513 N SER A 37 1.656 -2.227 6.309 1.00 0.00 N ATOM 514 CA SER A 37 3.065 -2.322 6.650 1.00 0.00 C ATOM 515 C SER A 37 3.807 -3.136 5.588 1.00 0.00 C ATOM 516 O SER A 37 3.184 -3.837 4.791 1.00 0.00 O ATOM 517 CB SER A 37 3.256 -2.953 8.031 1.00 0.00 C ATOM 518 OG SER A 37 4.065 -4.124 7.975 1.00 0.00 O ATOM 0 H SER A 37 1.261 -3.069 5.890 1.00 0.00 H new ATOM 0 HA SER A 37 3.478 -1.314 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.716 -2.227 8.701 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.283 -3.204 8.453 1.00 0.00 H new ATOM 0 HG SER A 37 4.165 -4.496 8.876 1.00 0.00 H new ATOM 524 N TRP A 38 5.126 -3.017 5.611 1.00 0.00 N ATOM 525 CA TRP A 38 5.959 -3.733 4.659 1.00 0.00 C ATOM 526 C TRP A 38 7.410 -3.637 5.136 1.00 0.00 C ATOM 527 O TRP A 38 7.688 -3.039 6.174 1.00 0.00 O ATOM 528 CB TRP A 38 5.759 -3.194 3.241 1.00 0.00 C ATOM 529 CG TRP A 38 6.042 -1.698 3.097 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.215 -1.101 2.845 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.082 -0.626 3.209 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.082 0.271 2.785 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.744 0.569 3.014 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.701 -0.665 3.466 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.105 1.814 3.055 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.077 0.587 3.505 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.729 1.800 3.310 1.00 0.00 C ATOM 0 H TRP A 38 5.639 -2.436 6.274 1.00 0.00 H new ATOM 0 HA TRP A 38 5.676 -4.785 4.613 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.409 -3.743 2.560 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.733 -3.390 2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.148 -1.628 2.706 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.828 0.943 2.606 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.163 -1.589 3.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.645 2.736 2.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.015 0.613 3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.176 2.727 3.355 1.00 0.00 H new ATOM 548 N GLN A 39 8.297 -4.235 4.354 1.00 0.00 N ATOM 549 CA GLN A 39 9.712 -4.224 4.683 1.00 0.00 C ATOM 550 C GLN A 39 10.528 -3.699 3.500 1.00 0.00 C ATOM 551 O GLN A 39 9.971 -3.373 2.452 1.00 0.00 O ATOM 552 CB GLN A 39 10.188 -5.616 5.102 1.00 0.00 C ATOM 553 CG GLN A 39 10.496 -5.663 6.599 1.00 0.00 C ATOM 554 CD GLN A 39 11.579 -6.700 6.905 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.766 -6.453 6.772 1.00 0.00 O ATOM 556 NE2 GLN A 39 11.105 -7.871 7.320 1.00 0.00 N ATOM 0 H GLN A 39 8.063 -4.730 3.494 1.00 0.00 H new ATOM 0 HA GLN A 39 9.863 -3.554 5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.422 -6.354 4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.079 -5.885 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.823 -4.680 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.589 -5.905 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.099 -8.011 7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.748 -8.629 7.549 1.00 0.00 H new ATOM 565 N GLU A 40 11.835 -3.632 3.707 1.00 0.00 N ATOM 566 CA GLU A 40 12.733 -3.152 2.670 1.00 0.00 C ATOM 567 C GLU A 40 13.025 -4.266 1.663 1.00 0.00 C ATOM 568 O GLU A 40 13.307 -5.399 2.049 1.00 0.00 O ATOM 569 CB GLU A 40 14.028 -2.607 3.276 1.00 0.00 C ATOM 570 CG GLU A 40 14.090 -1.083 3.159 1.00 0.00 C ATOM 571 CD GLU A 40 15.192 -0.509 4.052 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.581 -1.221 5.002 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.620 0.629 3.763 1.00 0.00 O ATOM 0 H GLU A 40 12.294 -3.902 4.577 1.00 0.00 H new ATOM 0 HA GLU A 40 12.244 -2.333 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.093 -2.898 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.885 -3.049 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.274 -0.801 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.128 -0.654 3.440 1.00 0.00 H new ATOM 580 N PRO A 41 12.946 -3.895 0.357 1.00 0.00 N ATOM 581 CA PRO A 41 13.198 -4.850 -0.709 1.00 0.00 C ATOM 582 C PRO A 41 14.695 -5.136 -0.846 1.00 0.00 C ATOM 583 O PRO A 41 15.524 -4.274 -0.559 1.00 0.00 O ATOM 584 CB PRO A 41 12.598 -4.217 -1.954 1.00 0.00 C ATOM 585 CG PRO A 41 12.447 -2.737 -1.639 1.00 0.00 C ATOM 586 CD PRO A 41 12.615 -2.562 -0.138 1.00 0.00 C ATOM 0 HA PRO A 41 12.748 -5.824 -0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.244 -4.368 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.634 -4.665 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.194 -2.154 -2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.469 -2.376 -1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.405 -1.847 0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.701 -2.185 0.321 1.00 0.00 H new ATOM 594 N GLY A 42 14.995 -6.350 -1.284 1.00 0.00 N ATOM 595 CA GLY A 42 16.377 -6.761 -1.462 1.00 0.00 C ATOM 596 C GLY A 42 16.949 -6.209 -2.769 1.00 0.00 C ATOM 597 O GLY A 42 18.145 -6.332 -3.028 1.00 0.00 O ATOM 0 H GLY A 42 14.304 -7.062 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.976 -6.410 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.439 -7.849 -1.465 1.00 0.00 H new ATOM 601 N GLU A 43 16.067 -5.614 -3.559 1.00 0.00 N ATOM 602 CA GLU A 43 16.469 -5.043 -4.833 1.00 0.00 C ATOM 603 C GLU A 43 16.549 -3.519 -4.731 1.00 0.00 C ATOM 604 O GLU A 43 16.247 -2.812 -5.691 1.00 0.00 O ATOM 605 CB GLU A 43 15.514 -5.468 -5.950 1.00 0.00 C ATOM 606 CG GLU A 43 15.977 -6.774 -6.601 1.00 0.00 C ATOM 607 CD GLU A 43 17.281 -6.568 -7.375 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.196 -6.015 -8.492 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.333 -6.969 -6.831 1.00 0.00 O ATOM 0 H GLU A 43 15.075 -5.515 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 43 17.460 -5.423 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.510 -5.595 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.457 -4.682 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.121 -7.536 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.204 -7.143 -7.275 1.00 0.00 H new ATOM 616 N LYS A 44 16.958 -3.057 -3.558 1.00 0.00 N ATOM 617 CA LYS A 44 17.081 -1.629 -3.318 1.00 0.00 C ATOM 618 C LYS A 44 17.628 -0.950 -4.575 1.00 0.00 C ATOM 619 O LYS A 44 17.221 0.160 -4.912 1.00 0.00 O ATOM 620 CB LYS A 44 17.918 -1.368 -2.064 1.00 0.00 C ATOM 621 CG LYS A 44 17.225 -1.921 -0.817 1.00 0.00 C ATOM 622 CD LYS A 44 17.816 -1.310 0.455 1.00 0.00 C ATOM 623 CE LYS A 44 16.926 -1.598 1.666 1.00 0.00 C ATOM 624 NZ LYS A 44 17.682 -2.339 2.701 1.00 0.00 N ATOM 0 H LYS A 44 17.208 -3.646 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 44 16.103 -1.190 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.899 -1.830 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.082 -0.297 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.157 -1.707 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.332 -3.005 -0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.813 -1.715 0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.926 -0.233 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.552 -0.662 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.057 -2.179 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.225 -2.207 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.696 -3.351 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.657 -1.980 2.743 1.00 0.00 H new ATOM 638 N ASN A 45 18.543 -1.646 -5.234 1.00 0.00 N ATOM 639 CA ASN A 45 19.151 -1.124 -6.446 1.00 0.00 C ATOM 640 C ASN A 45 19.384 0.380 -6.288 1.00 0.00 C ATOM 641 O ASN A 45 19.047 1.161 -7.177 1.00 0.00 O ATOM 642 CB ASN A 45 18.237 -1.336 -7.655 1.00 0.00 C ATOM 643 CG ASN A 45 18.559 -2.655 -8.360 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.650 -2.871 -8.862 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.551 -3.523 -8.371 1.00 0.00 N ATOM 0 H ASN A 45 18.878 -2.567 -4.951 1.00 0.00 H new ATOM 0 HA ASN A 45 20.091 -1.652 -6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.196 -1.336 -7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.354 -0.508 -8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.666 -4.432 -8.818 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.663 -3.279 -7.932 1.00 0.00 H new ATOM 652 N GLY A 46 19.958 0.741 -5.150 1.00 0.00 N ATOM 653 CA GLY A 46 20.240 2.137 -4.864 1.00 0.00 C ATOM 654 C GLY A 46 19.772 2.514 -3.457 1.00 0.00 C ATOM 655 O GLY A 46 19.530 1.642 -2.625 1.00 0.00 O ATOM 0 H GLY A 46 20.236 0.091 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.310 2.322 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.742 2.770 -5.598 1.00 0.00 H new ATOM 659 N ILE A 47 19.657 3.816 -3.235 1.00 0.00 N ATOM 660 CA ILE A 47 19.222 4.319 -1.944 1.00 0.00 C ATOM 661 C ILE A 47 17.754 4.741 -2.034 1.00 0.00 C ATOM 662 O ILE A 47 17.432 5.753 -2.655 1.00 0.00 O ATOM 663 CB ILE A 47 20.153 5.433 -1.461 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.491 4.862 -0.986 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.478 6.284 -0.383 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.279 3.770 0.065 1.00 0.00 C ATOM 0 H ILE A 47 19.858 4.537 -3.928 1.00 0.00 H new ATOM 0 HA ILE A 47 19.283 3.534 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 47 20.364 6.091 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.038 4.453 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.103 5.661 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.162 7.068 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.574 6.737 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.217 5.654 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.245 3.381 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.753 4.188 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.687 2.962 -0.364 1.00 0.00 H new ATOM 678 N LEU A 48 16.903 3.944 -1.405 1.00 0.00 N ATOM 679 CA LEU A 48 15.477 4.222 -1.407 1.00 0.00 C ATOM 680 C LEU A 48 15.237 5.639 -0.884 1.00 0.00 C ATOM 681 O LEU A 48 15.673 5.982 0.214 1.00 0.00 O ATOM 682 CB LEU A 48 14.720 3.143 -0.629 1.00 0.00 C ATOM 683 CG LEU A 48 15.012 1.696 -1.031 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.394 0.715 -0.033 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.553 1.422 -2.464 1.00 0.00 C ATOM 0 H LEU A 48 17.174 3.106 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 48 15.083 4.186 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.950 3.258 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.651 3.322 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 48 16.091 1.545 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.616 -0.306 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.811 0.893 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.314 0.858 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.772 0.387 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.480 1.596 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.079 2.088 -3.148 1.00 0.00 H new ATOM 697 N THR A 49 14.546 6.426 -1.696 1.00 0.00 N ATOM 698 CA THR A 49 14.243 7.799 -1.329 1.00 0.00 C ATOM 699 C THR A 49 12.858 7.886 -0.685 1.00 0.00 C ATOM 700 O THR A 49 12.526 8.888 -0.053 1.00 0.00 O ATOM 701 CB THR A 49 14.386 8.666 -2.582 1.00 0.00 C ATOM 702 OG1 THR A 49 13.388 8.165 -3.466 1.00 0.00 O ATOM 703 CG2 THR A 49 15.701 8.412 -3.322 1.00 0.00 C ATOM 0 H THR A 49 14.187 6.139 -2.607 1.00 0.00 H new ATOM 0 HA THR A 49 14.940 8.170 -0.578 1.00 0.00 H new ATOM 0 HB THR A 49 14.323 9.718 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.061 7.303 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.752 9.052 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.539 8.635 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.750 7.367 -3.629 1.00 0.00 H new ATOM 711 N GLY A 50 12.088 6.824 -0.867 1.00 0.00 N ATOM 712 CA GLY A 50 10.746 6.768 -0.312 1.00 0.00 C ATOM 713 C GLY A 50 9.970 5.575 -0.873 1.00 0.00 C ATOM 714 O GLY A 50 10.533 4.741 -1.581 1.00 0.00 O ATOM 0 H GLY A 50 12.368 5.995 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.801 6.693 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.215 7.692 -0.541 1.00 0.00 H new ATOM 718 N TYR A 51 8.690 5.531 -0.535 1.00 0.00 N ATOM 719 CA TYR A 51 7.831 4.453 -0.996 1.00 0.00 C ATOM 720 C TYR A 51 6.487 4.996 -1.489 1.00 0.00 C ATOM 721 O TYR A 51 5.935 5.924 -0.900 1.00 0.00 O ATOM 722 CB TYR A 51 7.590 3.556 0.220 1.00 0.00 C ATOM 723 CG TYR A 51 8.835 2.806 0.696 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.285 1.703 -0.001 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.510 3.232 1.822 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.457 0.996 0.447 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.682 2.526 2.270 1.00 0.00 C ATOM 728 CZ TYR A 51 11.098 1.443 1.560 1.00 0.00 C ATOM 729 OH TYR A 51 12.205 0.776 1.983 1.00 0.00 O ATOM 0 H TYR A 51 8.227 6.224 0.053 1.00 0.00 H new ATOM 0 HA TYR A 51 8.297 3.918 -1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.211 4.166 1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.813 2.832 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.758 1.370 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.159 4.095 2.367 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.819 0.131 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.219 2.849 3.150 1.00 0.00 H new ATOM 0 HH TYR A 51 12.693 1.328 2.629 1.00 0.00 H new ATOM 739 N ARG A 52 6.000 4.393 -2.563 1.00 0.00 N ATOM 740 CA ARG A 52 4.732 4.804 -3.142 1.00 0.00 C ATOM 741 C ARG A 52 3.646 3.775 -2.825 1.00 0.00 C ATOM 742 O ARG A 52 3.640 2.681 -3.387 1.00 0.00 O ATOM 743 CB ARG A 52 4.846 4.966 -4.659 1.00 0.00 C ATOM 744 CG ARG A 52 3.470 5.192 -5.290 1.00 0.00 C ATOM 745 CD ARG A 52 3.528 6.292 -6.352 1.00 0.00 C ATOM 746 NE ARG A 52 4.108 5.758 -7.604 1.00 0.00 N ATOM 747 CZ ARG A 52 3.431 5.007 -8.484 1.00 0.00 C ATOM 748 NH1 ARG A 52 2.148 4.698 -8.254 1.00 0.00 N ATOM 749 NH2 ARG A 52 4.038 4.565 -9.594 1.00 0.00 N ATOM 0 H ARG A 52 6.460 3.623 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 52 4.464 5.766 -2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.499 5.807 -4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.306 4.077 -5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.116 4.265 -5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.752 5.465 -4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.527 6.679 -6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.129 7.126 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 52 5.083 5.975 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.686 5.034 -7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.633 4.127 -8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.015 4.800 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.523 3.993 -10.264 1.00 0.00 H new ATOM 763 N ILE A 53 2.753 4.161 -1.926 1.00 0.00 N ATOM 764 CA ILE A 53 1.664 3.286 -1.528 1.00 0.00 C ATOM 765 C ILE A 53 0.386 3.704 -2.257 1.00 0.00 C ATOM 766 O ILE A 53 0.183 4.885 -2.534 1.00 0.00 O ATOM 767 CB ILE A 53 1.524 3.264 -0.004 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.500 2.216 0.437 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.188 4.656 0.535 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.336 2.216 1.959 1.00 0.00 C ATOM 0 H ILE A 53 2.762 5.069 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 53 1.876 2.258 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 53 2.484 2.976 0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.461 2.420 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.817 1.229 0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.094 4.613 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.983 5.352 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.247 4.996 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.397 1.462 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.293 1.988 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.005 3.198 2.288 1.00 0.00 H new ATOM 782 N SER A 54 -0.442 2.712 -2.548 1.00 0.00 N ATOM 783 CA SER A 54 -1.695 2.962 -3.241 1.00 0.00 C ATOM 784 C SER A 54 -2.721 1.889 -2.869 1.00 0.00 C ATOM 785 O SER A 54 -2.537 0.714 -3.183 1.00 0.00 O ATOM 786 CB SER A 54 -1.489 2.997 -4.756 1.00 0.00 C ATOM 787 OG SER A 54 -0.215 2.483 -5.134 1.00 0.00 O ATOM 0 H SER A 54 -0.270 1.734 -2.317 1.00 0.00 H new ATOM 0 HA SER A 54 -2.069 3.937 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.273 2.416 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.586 4.023 -5.111 1.00 0.00 H new ATOM 0 HG SER A 54 0.085 2.924 -5.956 1.00 0.00 H new ATOM 793 N TRP A 55 -3.780 2.332 -2.207 1.00 0.00 N ATOM 794 CA TRP A 55 -4.835 1.425 -1.790 1.00 0.00 C ATOM 795 C TRP A 55 -6.007 1.585 -2.760 1.00 0.00 C ATOM 796 O TRP A 55 -6.224 2.666 -3.304 1.00 0.00 O ATOM 797 CB TRP A 55 -5.228 1.674 -0.332 1.00 0.00 C ATOM 798 CG TRP A 55 -5.905 3.025 -0.092 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.145 3.400 -0.436 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.325 4.174 0.562 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.405 4.700 -0.053 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.263 5.185 0.573 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.049 4.352 1.125 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.026 6.445 1.135 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.827 5.616 1.683 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.762 6.645 1.703 1.00 0.00 C ATOM 0 H TRP A 55 -3.930 3.307 -1.949 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.491 0.391 -1.826 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.900 0.880 -0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.335 1.611 0.290 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.852 2.764 -0.949 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.275 5.211 -0.202 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.299 3.575 1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.777 7.221 1.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.862 5.806 2.129 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.514 7.594 2.155 1.00 0.00 H new ATOM 817 N GLU A 56 -6.731 0.491 -2.949 1.00 0.00 N ATOM 818 CA GLU A 56 -7.875 0.496 -3.844 1.00 0.00 C ATOM 819 C GLU A 56 -8.673 -0.800 -3.693 1.00 0.00 C ATOM 820 O GLU A 56 -8.116 -1.839 -3.340 1.00 0.00 O ATOM 821 CB GLU A 56 -7.435 0.703 -5.295 1.00 0.00 C ATOM 822 CG GLU A 56 -6.790 -0.566 -5.858 1.00 0.00 C ATOM 823 CD GLU A 56 -6.315 -0.347 -7.296 1.00 0.00 C ATOM 824 OE1 GLU A 56 -7.161 0.072 -8.115 1.00 0.00 O ATOM 825 OE2 GLU A 56 -5.117 -0.605 -7.543 1.00 0.00 O ATOM 0 H GLU A 56 -6.547 -0.405 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.521 1.331 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.296 0.979 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.727 1.530 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.946 -0.858 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.507 -1.387 -5.829 1.00 0.00 H new ATOM 832 N GLU A 57 -9.966 -0.697 -3.967 1.00 0.00 N ATOM 833 CA GLU A 57 -10.846 -1.848 -3.865 1.00 0.00 C ATOM 834 C GLU A 57 -10.298 -3.011 -4.695 1.00 0.00 C ATOM 835 O GLU A 57 -9.310 -2.855 -5.411 1.00 0.00 O ATOM 836 CB GLU A 57 -12.269 -1.490 -4.297 1.00 0.00 C ATOM 837 CG GLU A 57 -13.131 -1.114 -3.090 1.00 0.00 C ATOM 838 CD GLU A 57 -14.546 -1.678 -3.229 1.00 0.00 C ATOM 839 OE1 GLU A 57 -14.653 -2.833 -3.693 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.489 -0.941 -2.867 1.00 0.00 O ATOM 0 H GLU A 57 -10.424 0.166 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.885 -2.159 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.241 -0.658 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.718 -2.335 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.672 -1.495 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.176 -0.029 -2.995 1.00 0.00 H new ATOM 847 N TYR A 58 -10.963 -4.150 -4.571 1.00 0.00 N ATOM 848 CA TYR A 58 -10.554 -5.338 -5.301 1.00 0.00 C ATOM 849 C TYR A 58 -10.413 -5.043 -6.795 1.00 0.00 C ATOM 850 O TYR A 58 -9.328 -5.179 -7.359 1.00 0.00 O ATOM 851 CB TYR A 58 -11.673 -6.363 -5.099 1.00 0.00 C ATOM 852 CG TYR A 58 -11.580 -7.576 -6.027 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.492 -8.421 -5.951 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.585 -7.825 -6.939 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.405 -9.563 -6.823 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.498 -8.967 -7.812 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.412 -9.780 -7.711 1.00 0.00 C ATOM 858 OH TYR A 58 -11.329 -10.858 -8.535 1.00 0.00 O ATOM 0 H TYR A 58 -11.782 -4.276 -3.976 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.589 -5.695 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.654 -6.707 -4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.634 -5.872 -5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.705 -8.226 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.437 -7.164 -6.998 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.559 -10.232 -6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.277 -9.173 -8.531 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.118 -10.888 -9.115 1.00 0.00 H new ATOM 868 N ASN A 59 -11.525 -4.643 -7.395 1.00 0.00 N ATOM 869 CA ASN A 59 -11.539 -4.327 -8.813 1.00 0.00 C ATOM 870 C ASN A 59 -12.252 -2.990 -9.026 1.00 0.00 C ATOM 871 O ASN A 59 -12.993 -2.825 -9.993 1.00 0.00 O ATOM 872 CB ASN A 59 -12.290 -5.396 -9.608 1.00 0.00 C ATOM 873 CG ASN A 59 -12.110 -5.188 -11.113 1.00 0.00 C ATOM 874 OD1 ASN A 59 -11.733 -4.124 -11.578 1.00 0.00 O ATOM 875 ND2 ASN A 59 -12.398 -6.259 -11.846 1.00 0.00 N ATOM 0 H ASN A 59 -12.423 -4.531 -6.924 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.506 -4.280 -9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.927 -6.385 -9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.350 -5.363 -9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.308 -6.221 -12.861 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.708 -7.119 -11.393 1.00 0.00 H new ATOM 882 N ARG A 60 -12.003 -2.069 -8.106 1.00 0.00 N ATOM 883 CA ARG A 60 -12.612 -0.752 -8.181 1.00 0.00 C ATOM 884 C ARG A 60 -11.534 0.333 -8.156 1.00 0.00 C ATOM 885 O ARG A 60 -11.245 0.902 -7.104 1.00 0.00 O ATOM 886 CB ARG A 60 -13.581 -0.527 -7.018 1.00 0.00 C ATOM 887 CG ARG A 60 -15.018 -0.378 -7.522 1.00 0.00 C ATOM 888 CD ARG A 60 -15.982 -0.121 -6.363 1.00 0.00 C ATOM 889 NE ARG A 60 -17.234 0.483 -6.870 1.00 0.00 N ATOM 890 CZ ARG A 60 -18.365 0.577 -6.158 1.00 0.00 C ATOM 891 NH1 ARG A 60 -18.409 0.106 -4.904 1.00 0.00 N ATOM 892 NH2 ARG A 60 -19.454 1.140 -6.700 1.00 0.00 N ATOM 0 H ARG A 60 -11.388 -2.209 -7.305 1.00 0.00 H new ATOM 0 HA ARG A 60 -13.167 -0.695 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.521 -1.364 -6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.291 0.367 -6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -15.074 0.445 -8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.316 -1.282 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -16.202 -1.056 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.518 0.543 -5.634 1.00 0.00 H new ATOM 0 HE ARG A 60 -17.236 0.851 -7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -17.581 -0.324 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -19.270 0.178 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -19.422 1.497 -7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -20.315 1.211 -6.158 1.00 0.00 H new ATOM 906 N THR A 61 -10.969 0.588 -9.327 1.00 0.00 N ATOM 907 CA THR A 61 -9.930 1.595 -9.453 1.00 0.00 C ATOM 908 C THR A 61 -10.472 2.972 -9.064 1.00 0.00 C ATOM 909 O THR A 61 -9.739 3.803 -8.529 1.00 0.00 O ATOM 910 CB THR A 61 -9.386 1.538 -10.882 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.832 0.229 -10.990 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.189 2.468 -11.091 1.00 0.00 C ATOM 0 H THR A 61 -11.211 0.114 -10.197 1.00 0.00 H new ATOM 0 HA THR A 61 -9.105 1.399 -8.768 1.00 0.00 H new ATOM 0 HB THR A 61 -10.178 1.803 -11.583 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.309 0.028 -10.186 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.842 2.389 -12.121 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.487 3.496 -10.887 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.384 2.182 -10.414 1.00 0.00 H new ATOM 920 N ASN A 62 -11.750 3.172 -9.349 1.00 0.00 N ATOM 921 CA ASN A 62 -12.399 4.434 -9.036 1.00 0.00 C ATOM 922 C ASN A 62 -12.053 4.838 -7.601 1.00 0.00 C ATOM 923 O ASN A 62 -12.095 6.018 -7.257 1.00 0.00 O ATOM 924 CB ASN A 62 -13.920 4.312 -9.139 1.00 0.00 C ATOM 925 CG ASN A 62 -14.433 4.931 -10.441 1.00 0.00 C ATOM 926 OD1 ASN A 62 -14.149 4.467 -11.533 1.00 0.00 O ATOM 927 ND2 ASN A 62 -15.202 6.001 -10.265 1.00 0.00 N ATOM 0 H ASN A 62 -12.354 2.481 -9.794 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.048 5.180 -9.750 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.208 3.262 -9.093 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.387 4.808 -8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.594 6.486 -11.072 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.400 6.337 -9.323 1.00 0.00 H new ATOM 934 N THR A 63 -11.719 3.835 -6.802 1.00 0.00 N ATOM 935 CA THR A 63 -11.366 4.071 -5.412 1.00 0.00 C ATOM 936 C THR A 63 -9.866 3.856 -5.199 1.00 0.00 C ATOM 937 O THR A 63 -9.462 3.156 -4.272 1.00 0.00 O ATOM 938 CB THR A 63 -12.240 3.165 -4.542 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.732 1.856 -4.785 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.687 3.100 -5.034 1.00 0.00 C ATOM 0 H THR A 63 -11.685 2.857 -7.091 1.00 0.00 H new ATOM 0 HA THR A 63 -11.558 5.105 -5.125 1.00 0.00 H new ATOM 0 HB THR A 63 -12.222 3.523 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.837 1.635 -5.734 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.264 2.444 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.121 4.100 -5.020 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.708 2.710 -6.052 1.00 0.00 H new ATOM 948 N ARG A 64 -9.083 4.471 -6.072 1.00 0.00 N ATOM 949 CA ARG A 64 -7.637 4.356 -5.991 1.00 0.00 C ATOM 950 C ARG A 64 -7.028 5.662 -5.476 1.00 0.00 C ATOM 951 O ARG A 64 -7.574 6.740 -5.709 1.00 0.00 O ATOM 952 CB ARG A 64 -7.033 4.024 -7.357 1.00 0.00 C ATOM 953 CG ARG A 64 -5.619 3.459 -7.209 1.00 0.00 C ATOM 954 CD ARG A 64 -4.567 4.536 -7.478 1.00 0.00 C ATOM 955 NE ARG A 64 -3.220 3.925 -7.539 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.749 3.252 -8.597 1.00 0.00 C ATOM 957 NH1 ARG A 64 -3.511 3.099 -9.689 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.515 2.731 -8.564 1.00 0.00 N ATOM 0 H ARG A 64 -9.422 5.051 -6.839 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.408 3.546 -5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.665 3.301 -7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.007 4.922 -7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.487 3.060 -6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.481 2.629 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.787 5.045 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.598 5.290 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.613 4.023 -6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.451 3.495 -9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.151 2.586 -10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.935 2.847 -7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.156 2.218 -9.370 1.00 0.00 H new ATOM 972 N VAL A 65 -5.906 5.523 -4.787 1.00 0.00 N ATOM 973 CA VAL A 65 -5.217 6.679 -4.237 1.00 0.00 C ATOM 974 C VAL A 65 -3.708 6.504 -4.422 1.00 0.00 C ATOM 975 O VAL A 65 -3.229 5.388 -4.618 1.00 0.00 O ATOM 976 CB VAL A 65 -5.621 6.882 -2.775 1.00 0.00 C ATOM 977 CG1 VAL A 65 -5.004 5.805 -1.881 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.239 8.282 -2.291 1.00 0.00 C ATOM 0 H VAL A 65 -5.456 4.628 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.506 7.585 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.705 6.789 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.307 5.973 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.347 4.823 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.917 5.851 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.537 8.401 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.161 8.415 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.747 9.029 -2.901 1.00 0.00 H new ATOM 988 N THR A 66 -3.002 7.623 -4.353 1.00 0.00 N ATOM 989 CA THR A 66 -1.558 7.607 -4.510 1.00 0.00 C ATOM 990 C THR A 66 -0.897 8.491 -3.451 1.00 0.00 C ATOM 991 O THR A 66 -0.966 9.717 -3.529 1.00 0.00 O ATOM 992 CB THR A 66 -1.234 8.030 -5.944 1.00 0.00 C ATOM 993 OG1 THR A 66 -1.662 6.927 -6.737 1.00 0.00 O ATOM 994 CG2 THR A 66 0.272 8.114 -6.204 1.00 0.00 C ATOM 0 H THR A 66 -3.403 8.547 -4.190 1.00 0.00 H new ATOM 0 HA THR A 66 -1.153 6.607 -4.352 1.00 0.00 H new ATOM 0 HB THR A 66 -1.692 8.998 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.490 7.118 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.447 8.418 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.717 8.846 -5.530 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.726 7.138 -6.032 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.270 7.835 -2.485 1.00 0.00 N ATOM 1003 CA HIS A 67 0.403 8.546 -1.412 1.00 0.00 C ATOM 1004 C HIS A 67 1.915 8.343 -1.531 1.00 0.00 C ATOM 1005 O HIS A 67 2.372 7.478 -2.276 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.147 8.121 -0.049 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.277 8.986 0.455 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.369 8.675 1.210 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.359 10.342 0.188 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.079 9.781 1.396 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.455 10.815 0.763 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.214 6.818 -2.424 1.00 0.00 H new ATOM 0 HA HIS A 67 0.207 9.615 -1.500 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.494 7.090 -0.114 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.663 8.139 0.680 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.601 7.750 1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.650 10.916 -0.390 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.000 9.850 1.957 1.00 0.00 H new ATOM 1019 N TYR A 68 2.649 9.156 -0.786 1.00 0.00 N ATOM 1020 CA TYR A 68 4.100 9.077 -0.798 1.00 0.00 C ATOM 1021 C TYR A 68 4.662 9.073 0.625 1.00 0.00 C ATOM 1022 O TYR A 68 4.191 9.818 1.483 1.00 0.00 O ATOM 1023 CB TYR A 68 4.585 10.334 -1.522 1.00 0.00 C ATOM 1024 CG TYR A 68 4.469 10.259 -3.046 1.00 0.00 C ATOM 1025 CD1 TYR A 68 5.155 9.285 -3.743 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.679 11.165 -3.723 1.00 0.00 C ATOM 1027 CE1 TYR A 68 5.046 9.215 -5.177 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.570 11.095 -5.157 1.00 0.00 C ATOM 1029 CZ TYR A 68 4.259 10.123 -5.814 1.00 0.00 C ATOM 1030 OH TYR A 68 4.156 10.056 -7.168 1.00 0.00 O ATOM 0 H TYR A 68 2.266 9.873 -0.170 1.00 0.00 H new ATOM 0 HA TYR A 68 4.430 8.160 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.011 11.190 -1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.626 10.515 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.773 8.576 -3.213 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.142 11.927 -3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.578 8.458 -5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.955 11.798 -5.699 1.00 0.00 H new ATOM 0 HH TYR A 68 3.560 10.766 -7.486 1.00 0.00 H new ATOM 1040 N LEU A 69 5.660 8.227 0.831 1.00 0.00 N ATOM 1041 CA LEU A 69 6.290 8.117 2.135 1.00 0.00 C ATOM 1042 C LEU A 69 7.811 8.116 1.964 1.00 0.00 C ATOM 1043 O LEU A 69 8.317 7.827 0.881 1.00 0.00 O ATOM 1044 CB LEU A 69 5.756 6.897 2.888 1.00 0.00 C ATOM 1045 CG LEU A 69 4.246 6.662 2.798 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.895 5.214 3.144 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.483 7.661 3.671 1.00 0.00 C ATOM 0 H LEU A 69 6.048 7.611 0.116 1.00 0.00 H new ATOM 0 HA LEU A 69 6.038 8.979 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.265 6.010 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.026 6.996 3.939 1.00 0.00 H new ATOM 0 HG LEU A 69 3.935 6.831 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.816 5.074 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.395 4.542 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.223 4.993 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.413 7.472 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.793 7.547 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.699 8.676 3.337 1.00 0.00 H new ATOM 1059 N PRO A 70 8.515 8.451 3.078 1.00 0.00 N ATOM 1060 CA PRO A 70 9.967 8.492 3.061 1.00 0.00 C ATOM 1061 C PRO A 70 10.555 7.079 3.072 1.00 0.00 C ATOM 1062 O PRO A 70 9.818 6.096 3.126 1.00 0.00 O ATOM 1063 CB PRO A 70 10.353 9.305 4.286 1.00 0.00 C ATOM 1064 CG PRO A 70 9.133 9.296 5.193 1.00 0.00 C ATOM 1065 CD PRO A 70 7.950 8.800 4.378 1.00 0.00 C ATOM 0 HA PRO A 70 10.364 8.950 2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.216 8.869 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.626 10.323 4.009 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.302 8.649 6.054 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.938 10.296 5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.478 7.938 4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.184 9.570 4.283 1.00 0.00 H new ATOM 1073 N ASN A 71 11.878 7.023 3.022 1.00 0.00 N ATOM 1074 CA ASN A 71 12.574 5.747 3.025 1.00 0.00 C ATOM 1075 C ASN A 71 12.812 5.305 4.471 1.00 0.00 C ATOM 1076 O ASN A 71 13.658 4.451 4.731 1.00 0.00 O ATOM 1077 CB ASN A 71 13.934 5.859 2.335 1.00 0.00 C ATOM 1078 CG ASN A 71 14.888 6.743 3.143 1.00 0.00 C ATOM 1079 OD1 ASN A 71 15.401 6.360 4.181 1.00 0.00 O ATOM 1080 ND2 ASN A 71 15.094 7.944 2.610 1.00 0.00 N ATOM 0 H ASN A 71 12.486 7.841 2.979 1.00 0.00 H new ATOM 0 HA ASN A 71 11.957 5.025 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.367 4.866 2.214 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.806 6.275 1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.714 8.608 3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.632 8.201 1.737 1.00 0.00 H new ATOM 1087 N VAL A 72 12.050 5.907 5.373 1.00 0.00 N ATOM 1088 CA VAL A 72 12.168 5.586 6.785 1.00 0.00 C ATOM 1089 C VAL A 72 10.883 4.903 7.257 1.00 0.00 C ATOM 1090 O VAL A 72 10.888 4.187 8.257 1.00 0.00 O ATOM 1091 CB VAL A 72 12.501 6.849 7.583 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.735 7.549 7.010 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.303 7.800 7.629 1.00 0.00 C ATOM 0 H VAL A 72 11.349 6.615 5.153 1.00 0.00 H new ATOM 0 HA VAL A 72 12.988 4.887 6.951 1.00 0.00 H new ATOM 0 HB VAL A 72 12.730 6.549 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.950 8.443 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.589 6.873 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.546 7.830 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.566 8.689 8.202 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.029 8.090 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.459 7.299 8.104 1.00 0.00 H new ATOM 1103 N THR A 73 9.813 5.147 6.515 1.00 0.00 N ATOM 1104 CA THR A 73 8.524 4.564 6.845 1.00 0.00 C ATOM 1105 C THR A 73 8.217 3.388 5.916 1.00 0.00 C ATOM 1106 O THR A 73 8.564 3.417 4.736 1.00 0.00 O ATOM 1107 CB THR A 73 7.474 5.675 6.786 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.690 6.421 7.980 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.047 5.141 6.933 1.00 0.00 C ATOM 0 H THR A 73 9.812 5.741 5.686 1.00 0.00 H new ATOM 0 HA THR A 73 8.524 4.150 7.853 1.00 0.00 H new ATOM 0 HB THR A 73 7.566 6.211 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.052 7.163 8.022 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.341 5.970 6.884 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.837 4.438 6.127 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.945 4.634 7.893 1.00 0.00 H new ATOM 1117 N LEU A 74 7.570 2.381 6.483 1.00 0.00 N ATOM 1118 CA LEU A 74 7.213 1.196 5.720 1.00 0.00 C ATOM 1119 C LEU A 74 5.784 0.780 6.074 1.00 0.00 C ATOM 1120 O LEU A 74 5.345 -0.312 5.715 1.00 0.00 O ATOM 1121 CB LEU A 74 8.247 0.089 5.934 1.00 0.00 C ATOM 1122 CG LEU A 74 9.697 0.549 6.096 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.422 -0.286 7.154 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.430 0.533 4.753 1.00 0.00 C ATOM 0 H LEU A 74 7.283 2.361 7.462 1.00 0.00 H new ATOM 0 HA LEU A 74 7.228 1.411 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.965 -0.478 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.196 -0.597 5.088 1.00 0.00 H new ATOM 0 HG LEU A 74 9.691 1.581 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.451 0.061 7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.913 -0.181 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.419 -1.334 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.459 0.864 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.428 -0.479 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.927 1.203 4.056 1.00 0.00 H new ATOM 1136 N GLU A 75 5.097 1.671 6.773 1.00 0.00 N ATOM 1137 CA GLU A 75 3.727 1.410 7.179 1.00 0.00 C ATOM 1138 C GLU A 75 2.902 2.697 7.125 1.00 0.00 C ATOM 1139 O GLU A 75 3.438 3.790 7.301 1.00 0.00 O ATOM 1140 CB GLU A 75 3.678 0.786 8.576 1.00 0.00 C ATOM 1141 CG GLU A 75 4.115 1.793 9.641 1.00 0.00 C ATOM 1142 CD GLU A 75 5.500 1.444 10.190 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.599 0.388 10.852 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.429 2.241 9.936 1.00 0.00 O ATOM 0 H GLU A 75 5.464 2.576 7.069 1.00 0.00 H new ATOM 0 HA GLU A 75 3.293 0.694 6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.666 0.442 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.326 -0.090 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.131 2.796 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.390 1.805 10.455 1.00 0.00 H new ATOM 1151 N TYR A 76 1.611 2.525 6.880 1.00 0.00 N ATOM 1152 CA TYR A 76 0.707 3.660 6.800 1.00 0.00 C ATOM 1153 C TYR A 76 -0.739 3.227 7.052 1.00 0.00 C ATOM 1154 O TYR A 76 -1.097 2.075 6.815 1.00 0.00 O ATOM 1155 CB TYR A 76 0.825 4.193 5.371 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.081 5.390 5.076 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.378 5.185 4.650 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.397 6.674 5.237 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.231 6.312 4.372 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.456 7.801 4.960 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.728 7.564 4.541 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.534 8.628 4.280 1.00 0.00 O ATOM 0 H TYR A 76 1.170 1.617 6.734 1.00 0.00 H new ATOM 0 HA TYR A 76 0.964 4.410 7.548 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.860 4.480 5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.587 3.390 4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.753 4.180 4.525 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.411 6.834 5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.247 6.166 4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.094 8.811 5.082 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.042 9.459 4.445 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.532 4.176 7.530 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.930 3.908 7.817 1.00 0.00 C ATOM 1174 C ARG A 77 -3.808 4.352 6.645 1.00 0.00 C ATOM 1175 O ARG A 77 -3.747 5.505 6.222 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.381 4.634 9.086 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.696 4.054 9.612 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.878 4.950 9.240 1.00 0.00 C ATOM 1179 NE ARG A 77 -6.607 5.360 10.461 1.00 0.00 N ATOM 1180 CZ ARG A 77 -6.174 6.298 11.314 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -5.014 6.928 11.086 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -6.901 6.605 12.397 1.00 0.00 N ATOM 0 H ARG A 77 -1.232 5.131 7.725 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.037 2.834 7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.610 4.549 9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.506 5.696 8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.848 3.056 9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.643 3.947 10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.523 5.831 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.550 4.418 8.567 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.494 4.900 10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.460 6.694 10.262 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.685 7.642 11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.784 6.125 12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.572 7.319 13.047 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.602 3.413 6.153 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.491 3.693 5.038 1.00 0.00 C ATOM 1198 C VAL A 78 -6.875 4.062 5.574 1.00 0.00 C ATOM 1199 O VAL A 78 -7.263 3.622 6.656 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.519 2.501 4.079 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.507 2.740 2.936 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.120 2.197 3.541 1.00 0.00 C ATOM 0 H VAL A 78 -4.649 2.457 6.506 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.127 4.546 4.465 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.859 1.629 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.507 1.878 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.508 2.884 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.211 3.629 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.168 1.346 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.739 3.067 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.454 1.962 4.371 1.00 0.00 H new ATOM 1212 N THR A 79 -7.582 4.866 4.794 1.00 0.00 N ATOM 1213 CA THR A 79 -8.915 5.299 5.177 1.00 0.00 C ATOM 1214 C THR A 79 -9.741 5.645 3.937 1.00 0.00 C ATOM 1215 O THR A 79 -9.187 5.996 2.896 1.00 0.00 O ATOM 1216 CB THR A 79 -8.770 6.466 6.156 1.00 0.00 C ATOM 1217 OG1 THR A 79 -8.023 7.437 5.429 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.875 6.123 7.348 1.00 0.00 C ATOM 0 H THR A 79 -7.257 5.229 3.898 1.00 0.00 H new ATOM 0 HA THR A 79 -9.461 4.500 5.679 1.00 0.00 H new ATOM 0 HB THR A 79 -9.755 6.762 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.884 8.229 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.806 6.985 8.011 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.301 5.280 7.892 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.879 5.859 6.991 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.053 5.534 4.088 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.960 5.831 2.993 1.00 0.00 C ATOM 1228 C GLY A 80 -12.262 4.574 2.175 1.00 0.00 C ATOM 1229 O GLY A 80 -12.471 4.652 0.965 1.00 0.00 O ATOM 0 H GLY A 80 -11.509 5.242 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.888 6.245 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.520 6.592 2.348 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.274 3.445 2.867 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.547 2.173 2.220 1.00 0.00 C ATOM 1235 C LEU A 81 -14.028 1.827 2.388 1.00 0.00 C ATOM 1236 O LEU A 81 -14.877 2.716 2.420 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.600 1.091 2.744 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.163 1.537 3.026 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.471 0.574 3.993 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.376 1.708 1.726 1.00 0.00 C ATOM 0 H LEU A 81 -12.099 3.384 3.870 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.355 2.242 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.020 0.683 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.571 0.278 2.018 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.197 2.512 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.452 0.913 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.020 0.547 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.448 -0.425 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.359 2.025 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.348 0.759 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.860 2.462 1.104 1.00 0.00 H new ATOM 1252 N THR A 82 -14.292 0.533 2.490 1.00 0.00 N ATOM 1253 CA THR A 82 -15.656 0.059 2.653 1.00 0.00 C ATOM 1254 C THR A 82 -15.706 -1.083 3.671 1.00 0.00 C ATOM 1255 O THR A 82 -14.761 -1.863 3.780 1.00 0.00 O ATOM 1256 CB THR A 82 -16.189 -0.334 1.273 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.916 0.803 0.459 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.714 -0.455 1.247 1.00 0.00 C ATOM 0 H THR A 82 -13.585 -0.202 2.463 1.00 0.00 H new ATOM 0 HA THR A 82 -16.300 0.841 3.056 1.00 0.00 H new ATOM 0 HB THR A 82 -15.745 -1.282 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.084 0.657 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.040 -0.736 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 82 -18.031 -1.218 1.959 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.160 0.502 1.519 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.817 -1.143 4.390 1.00 0.00 N ATOM 1267 CA ALA A 83 -17.002 -2.176 5.396 1.00 0.00 C ATOM 1268 C ALA A 83 -17.164 -3.531 4.705 1.00 0.00 C ATOM 1269 O ALA A 83 -17.784 -3.622 3.646 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.203 -1.823 6.276 1.00 0.00 C ATOM 0 H ALA A 83 -17.598 -0.494 4.296 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.129 -2.239 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.342 -2.598 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.026 -0.866 6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.099 -1.753 5.659 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.595 -4.551 5.332 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.669 -5.897 4.790 1.00 0.00 C ATOM 1278 C LEU A 84 -16.488 -5.842 3.272 1.00 0.00 C ATOM 1279 O LEU A 84 -17.318 -6.359 2.525 1.00 0.00 O ATOM 1280 CB LEU A 84 -17.965 -6.582 5.231 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.223 -6.622 6.739 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.355 -7.594 7.075 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.940 -6.948 7.506 1.00 0.00 C ATOM 0 H LEU A 84 -16.081 -4.472 6.210 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.860 -6.512 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.802 -6.074 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.957 -7.606 4.856 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.545 -5.631 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.518 -7.604 8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.269 -7.276 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.086 -8.596 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.151 -6.970 8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.564 -7.921 7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.189 -6.185 7.300 1.00 0.00 H new ATOM 1295 N THR A 85 -15.398 -5.211 2.860 1.00 0.00 N ATOM 1296 CA THR A 85 -15.098 -5.082 1.444 1.00 0.00 C ATOM 1297 C THR A 85 -13.639 -5.453 1.173 1.00 0.00 C ATOM 1298 O THR A 85 -12.763 -5.184 1.994 1.00 0.00 O ATOM 1299 CB THR A 85 -15.453 -3.658 1.014 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.874 -3.672 0.905 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.974 -3.338 -0.404 1.00 0.00 C ATOM 0 H THR A 85 -14.712 -4.784 3.482 1.00 0.00 H new ATOM 0 HA THR A 85 -15.693 -5.774 0.848 1.00 0.00 H new ATOM 0 HB THR A 85 -15.014 -2.948 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.271 -3.658 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.251 -2.315 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.890 -3.443 -0.454 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.439 -4.027 -1.109 1.00 0.00 H new ATOM 1309 N THR A 86 -13.422 -6.065 0.018 1.00 0.00 N ATOM 1310 CA THR A 86 -12.084 -6.475 -0.372 1.00 0.00 C ATOM 1311 C THR A 86 -11.327 -5.302 -0.997 1.00 0.00 C ATOM 1312 O THR A 86 -11.873 -4.579 -1.829 1.00 0.00 O ATOM 1313 CB THR A 86 -12.213 -7.681 -1.305 1.00 0.00 C ATOM 1314 OG1 THR A 86 -12.845 -8.675 -0.503 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.857 -8.295 -1.659 1.00 0.00 C ATOM 0 H THR A 86 -14.151 -6.287 -0.660 1.00 0.00 H new ATOM 0 HA THR A 86 -11.495 -6.776 0.494 1.00 0.00 H new ATOM 0 HB THR A 86 -12.725 -7.379 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.969 -9.491 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.005 -9.147 -2.323 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.239 -7.549 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.359 -8.627 -0.748 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.082 -5.149 -0.572 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.244 -4.076 -1.080 1.00 0.00 C ATOM 1325 C TYR A 87 -7.819 -4.568 -1.339 1.00 0.00 C ATOM 1326 O TYR A 87 -7.390 -5.568 -0.766 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.211 -3.011 0.019 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.374 -2.019 -0.041 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.552 -2.295 0.622 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.245 -0.847 -0.759 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.646 -1.361 0.566 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.339 0.087 -0.816 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.486 -0.216 -0.150 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.519 0.666 -0.204 1.00 0.00 O ATOM 0 H TYR A 87 -9.633 -5.750 0.119 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.639 -3.694 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.218 -3.506 0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.273 -2.460 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.653 -3.212 1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.323 -0.631 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.573 -1.565 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.251 1.007 -1.375 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.262 1.438 -0.750 1.00 0.00 H new ATOM 1344 N THR A 88 -7.125 -3.843 -2.204 1.00 0.00 N ATOM 1345 CA THR A 88 -5.757 -4.193 -2.547 1.00 0.00 C ATOM 1346 C THR A 88 -4.820 -3.015 -2.274 1.00 0.00 C ATOM 1347 O THR A 88 -4.991 -1.937 -2.841 1.00 0.00 O ATOM 1348 CB THR A 88 -5.739 -4.659 -4.004 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.975 -6.062 -3.923 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.350 -4.551 -4.636 1.00 0.00 C ATOM 0 H THR A 88 -7.485 -3.014 -2.678 1.00 0.00 H new ATOM 0 HA THR A 88 -5.390 -5.010 -1.925 1.00 0.00 H new ATOM 0 HB THR A 88 -6.448 -4.067 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.981 -6.445 -4.825 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.393 -4.894 -5.670 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.019 -3.513 -4.612 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.647 -5.169 -4.077 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.851 -3.260 -1.404 1.00 0.00 N ATOM 1359 CA ILE A 89 -2.887 -2.233 -1.049 1.00 0.00 C ATOM 1360 C ILE A 89 -1.575 -2.492 -1.792 1.00 0.00 C ATOM 1361 O ILE A 89 -0.929 -3.518 -1.580 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.727 -2.150 0.470 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.088 -2.196 1.168 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -1.919 -0.914 0.870 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.124 -1.370 0.403 1.00 0.00 C ATOM 0 H ILE A 89 -3.713 -4.155 -0.935 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.243 -1.252 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.165 -3.023 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.426 -3.229 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.992 -1.815 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.820 -0.879 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.929 -0.964 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.431 -0.017 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.082 -1.419 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.794 -0.333 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.235 -1.769 -0.605 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.219 -1.545 -2.648 1.00 0.00 N ATOM 1378 CA GLU A 90 0.005 -1.658 -3.423 1.00 0.00 C ATOM 1379 C GLU A 90 1.105 -0.792 -2.808 1.00 0.00 C ATOM 1380 O GLU A 90 0.940 0.419 -2.666 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.237 -1.281 -4.886 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.432 -2.045 -5.459 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.406 -1.095 -6.158 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.613 0.009 -5.611 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -2.922 -1.495 -7.224 1.00 0.00 O ATOM 0 H GLU A 90 -1.757 -0.696 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 90 0.333 -2.697 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.415 -0.209 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.655 -1.500 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.082 -2.797 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.947 -2.575 -4.658 1.00 0.00 H new ATOM 1392 N VAL A 91 2.203 -1.445 -2.458 1.00 0.00 N ATOM 1393 CA VAL A 91 3.331 -0.750 -1.862 1.00 0.00 C ATOM 1394 C VAL A 91 4.519 -0.793 -2.824 1.00 0.00 C ATOM 1395 O VAL A 91 5.014 -1.869 -3.156 1.00 0.00 O ATOM 1396 CB VAL A 91 3.650 -1.350 -0.491 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.903 -0.709 0.110 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.457 -1.214 0.458 1.00 0.00 C ATOM 0 H VAL A 91 2.336 -2.449 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 91 3.087 0.299 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 91 3.850 -2.413 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.107 -1.153 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.752 -0.879 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.743 0.363 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.710 -1.648 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.213 -0.160 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.597 -1.737 0.039 1.00 0.00 H new ATOM 1408 N ALA A 92 4.942 0.390 -3.245 1.00 0.00 N ATOM 1409 CA ALA A 92 6.063 0.500 -4.163 1.00 0.00 C ATOM 1410 C ALA A 92 7.179 1.313 -3.504 1.00 0.00 C ATOM 1411 O ALA A 92 6.940 2.025 -2.529 1.00 0.00 O ATOM 1412 CB ALA A 92 5.587 1.122 -5.478 1.00 0.00 C ATOM 0 H ALA A 92 4.529 1.280 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 92 6.467 -0.485 -4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.428 1.205 -6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.816 0.491 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.178 2.114 -5.284 1.00 0.00 H new ATOM 1418 N ALA A 93 8.373 1.181 -4.062 1.00 0.00 N ATOM 1419 CA ALA A 93 9.526 1.895 -3.540 1.00 0.00 C ATOM 1420 C ALA A 93 9.877 3.047 -4.483 1.00 0.00 C ATOM 1421 O ALA A 93 9.451 3.061 -5.637 1.00 0.00 O ATOM 1422 CB ALA A 93 10.689 0.919 -3.353 1.00 0.00 C ATOM 0 H ALA A 93 8.567 0.590 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 93 9.302 2.325 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.554 1.454 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.398 0.137 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.944 0.469 -4.312 1.00 0.00 H new ATOM 1428 N MET A 94 10.651 3.985 -3.958 1.00 0.00 N ATOM 1429 CA MET A 94 11.064 5.139 -4.739 1.00 0.00 C ATOM 1430 C MET A 94 12.564 5.398 -4.582 1.00 0.00 C ATOM 1431 O MET A 94 13.059 5.540 -3.465 1.00 0.00 O ATOM 1432 CB MET A 94 10.282 6.372 -4.282 1.00 0.00 C ATOM 1433 CG MET A 94 8.803 6.251 -4.656 1.00 0.00 C ATOM 1434 SD MET A 94 7.967 7.798 -4.344 1.00 0.00 S ATOM 1435 CE MET A 94 7.994 7.811 -2.560 1.00 0.00 C ATOM 0 H MET A 94 11.003 3.970 -3.001 1.00 0.00 H new ATOM 0 HA MET A 94 10.857 4.936 -5.790 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.380 6.490 -3.203 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.705 7.266 -4.740 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.706 5.981 -5.708 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.337 5.453 -4.078 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.973 7.857 -2.181 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.475 6.903 -2.197 1.00 0.00 H new ATOM 0 HE3 MET A 94 8.550 8.681 -2.211 1.00 0.00 H new ATOM 1445 N THR A 95 13.245 5.454 -5.717 1.00 0.00 N ATOM 1446 CA THR A 95 14.678 5.694 -5.720 1.00 0.00 C ATOM 1447 C THR A 95 15.007 6.943 -6.539 1.00 0.00 C ATOM 1448 O THR A 95 14.120 7.732 -6.859 1.00 0.00 O ATOM 1449 CB THR A 95 15.368 4.430 -6.235 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.585 4.040 -7.360 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.237 3.254 -5.265 1.00 0.00 C ATOM 0 H THR A 95 12.831 5.337 -6.642 1.00 0.00 H new ATOM 0 HA THR A 95 15.048 5.896 -4.715 1.00 0.00 H new ATOM 0 HB THR A 95 16.423 4.640 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.149 3.555 -7.998 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.744 2.383 -5.679 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.691 3.518 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.183 3.022 -5.114 1.00 0.00 H new ATOM 1459 N SER A 96 16.286 7.084 -6.856 1.00 0.00 N ATOM 1460 CA SER A 96 16.744 8.224 -7.632 1.00 0.00 C ATOM 1461 C SER A 96 16.279 8.090 -9.083 1.00 0.00 C ATOM 1462 O SER A 96 16.331 9.052 -9.847 1.00 0.00 O ATOM 1463 CB SER A 96 18.268 8.354 -7.573 1.00 0.00 C ATOM 1464 OG SER A 96 18.902 7.699 -8.667 1.00 0.00 O ATOM 0 H SER A 96 17.020 6.427 -6.589 1.00 0.00 H new ATOM 0 HA SER A 96 16.312 9.127 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.542 9.409 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.632 7.931 -6.637 1.00 0.00 H new ATOM 0 HG SER A 96 19.873 7.806 -8.594 1.00 0.00 H new ATOM 1470 N LYS A 97 15.835 6.888 -9.420 1.00 0.00 N ATOM 1471 CA LYS A 97 15.360 6.615 -10.766 1.00 0.00 C ATOM 1472 C LYS A 97 13.866 6.931 -10.849 1.00 0.00 C ATOM 1473 O LYS A 97 13.430 7.661 -11.738 1.00 0.00 O ATOM 1474 CB LYS A 97 15.711 5.184 -11.178 1.00 0.00 C ATOM 1475 CG LYS A 97 17.030 5.144 -11.952 1.00 0.00 C ATOM 1476 CD LYS A 97 16.850 5.682 -13.372 1.00 0.00 C ATOM 1477 CE LYS A 97 16.267 4.609 -14.295 1.00 0.00 C ATOM 1478 NZ LYS A 97 17.243 4.244 -15.346 1.00 0.00 N ATOM 0 H LYS A 97 15.794 6.092 -8.784 1.00 0.00 H new ATOM 0 HA LYS A 97 15.862 7.261 -11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.786 4.555 -10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.911 4.773 -11.794 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.781 5.735 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.401 4.120 -11.992 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.191 6.550 -13.355 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.811 6.019 -13.762 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.002 3.726 -13.714 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.349 4.976 -14.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.832 3.515 -15.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.476 5.086 -15.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.108 3.874 -14.903 1.00 0.00 H new ATOM 1492 N GLY A 98 13.121 6.364 -9.911 1.00 0.00 N ATOM 1493 CA GLY A 98 11.684 6.576 -9.867 1.00 0.00 C ATOM 1494 C GLY A 98 11.008 5.561 -8.942 1.00 0.00 C ATOM 1495 O GLY A 98 11.416 5.396 -7.794 1.00 0.00 O ATOM 0 H GLY A 98 13.486 5.758 -9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.472 7.587 -9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.269 6.491 -10.871 1.00 0.00 H new ATOM 1499 N GLN A 99 9.987 4.908 -9.478 1.00 0.00 N ATOM 1500 CA GLN A 99 9.251 3.915 -8.715 1.00 0.00 C ATOM 1501 C GLN A 99 9.480 2.520 -9.300 1.00 0.00 C ATOM 1502 O GLN A 99 9.385 2.327 -10.511 1.00 0.00 O ATOM 1503 CB GLN A 99 7.760 4.252 -8.670 1.00 0.00 C ATOM 1504 CG GLN A 99 6.986 3.210 -7.860 1.00 0.00 C ATOM 1505 CD GLN A 99 5.761 2.715 -8.632 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.671 2.573 -7.883 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 5.803 2.477 -9.828 1.00 0.00 N flip ATOM 0 H GLN A 99 9.652 5.047 -10.431 1.00 0.00 H new ATOM 0 HA GLN A 99 9.623 3.924 -7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.620 5.239 -8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.363 4.298 -9.684 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.638 2.368 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.671 3.643 -6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.673 2.608 -10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.968 2.148 -10.312 1.00 0.00 H new ATOM 1516 N GLY A 100 9.778 1.582 -8.412 1.00 0.00 N ATOM 1517 CA GLY A 100 10.022 0.211 -8.825 1.00 0.00 C ATOM 1518 C GLY A 100 8.770 -0.649 -8.636 1.00 0.00 C ATOM 1519 O GLY A 100 7.669 -0.124 -8.485 1.00 0.00 O ATOM 0 H GLY A 100 9.856 1.745 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.327 0.191 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.845 -0.206 -8.245 1.00 0.00 H new ATOM 1523 N GLN A 101 8.982 -1.957 -8.651 1.00 0.00 N ATOM 1524 CA GLN A 101 7.885 -2.895 -8.483 1.00 0.00 C ATOM 1525 C GLN A 101 6.968 -2.440 -7.346 1.00 0.00 C ATOM 1526 O GLN A 101 7.312 -1.533 -6.591 1.00 0.00 O ATOM 1527 CB GLN A 101 8.408 -4.311 -8.233 1.00 0.00 C ATOM 1528 CG GLN A 101 7.465 -5.357 -8.831 1.00 0.00 C ATOM 1529 CD GLN A 101 8.247 -6.560 -9.363 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.409 -6.467 -9.724 1.00 0.00 O ATOM 1531 NE2 GLN A 101 7.547 -7.691 -9.391 1.00 0.00 N ATOM 0 H GLN A 101 9.897 -2.389 -8.777 1.00 0.00 H new ATOM 0 HA GLN A 101 7.305 -2.915 -9.406 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.401 -4.418 -8.670 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.512 -4.480 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.755 -5.687 -8.073 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.885 -4.910 -9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.578 -7.699 -9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 101 7.980 -8.550 -9.730 1.00 0.00 H new ATOM 1540 N VAL A 102 5.818 -3.093 -7.260 1.00 0.00 N ATOM 1541 CA VAL A 102 4.848 -2.767 -6.228 1.00 0.00 C ATOM 1542 C VAL A 102 4.266 -4.060 -5.655 1.00 0.00 C ATOM 1543 O VAL A 102 4.024 -5.016 -6.391 1.00 0.00 O ATOM 1544 CB VAL A 102 3.780 -1.828 -6.791 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.686 -2.615 -7.517 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.184 -0.951 -5.688 1.00 0.00 C ATOM 0 H VAL A 102 5.536 -3.846 -7.888 1.00 0.00 H new ATOM 0 HA VAL A 102 5.328 -2.235 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 102 4.260 -1.172 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.939 -1.924 -7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.127 -3.176 -8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.212 -3.306 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.427 -0.293 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.727 -1.584 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.973 -0.351 -5.234 1.00 0.00 H new ATOM 1556 N SER A 103 4.057 -4.049 -4.346 1.00 0.00 N ATOM 1557 CA SER A 103 3.507 -5.210 -3.666 1.00 0.00 C ATOM 1558 C SER A 103 2.029 -4.978 -3.348 1.00 0.00 C ATOM 1559 O SER A 103 1.698 -4.276 -2.394 1.00 0.00 O ATOM 1560 CB SER A 103 4.285 -5.517 -2.385 1.00 0.00 C ATOM 1561 OG SER A 103 5.287 -6.508 -2.592 1.00 0.00 O ATOM 0 H SER A 103 4.259 -3.255 -3.739 1.00 0.00 H new ATOM 0 HA SER A 103 3.598 -6.071 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.750 -4.603 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.594 -5.857 -1.614 1.00 0.00 H new ATOM 0 HG SER A 103 5.762 -6.674 -1.751 1.00 0.00 H new ATOM 1567 N ALA A 104 1.179 -5.582 -4.165 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.257 -5.450 -3.983 1.00 0.00 C ATOM 1569 C ALA A 104 -0.788 -6.681 -3.245 1.00 0.00 C ATOM 1570 O ALA A 104 -0.703 -7.798 -3.754 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.928 -5.251 -5.343 1.00 0.00 C ATOM 0 H ALA A 104 1.457 -6.164 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.488 -4.576 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.005 -5.152 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.537 -4.348 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.721 -6.111 -5.980 1.00 0.00 H new ATOM 1577 N SER A 105 -1.323 -6.435 -2.059 1.00 0.00 N ATOM 1578 CA SER A 105 -1.868 -7.510 -1.246 1.00 0.00 C ATOM 1579 C SER A 105 -3.363 -7.284 -1.014 1.00 0.00 C ATOM 1580 O SER A 105 -3.778 -6.188 -0.639 1.00 0.00 O ATOM 1581 CB SER A 105 -1.133 -7.616 0.091 1.00 0.00 C ATOM 1582 OG SER A 105 -0.198 -8.691 0.103 1.00 0.00 O ATOM 0 H SER A 105 -1.391 -5.507 -1.641 1.00 0.00 H new ATOM 0 HA SER A 105 -1.728 -8.449 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.612 -6.680 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.858 -7.757 0.893 1.00 0.00 H new ATOM 0 HG SER A 105 0.252 -8.724 0.973 1.00 0.00 H new ATOM 1588 N THR A 106 -4.132 -8.338 -1.247 1.00 0.00 N ATOM 1589 CA THR A 106 -5.572 -8.268 -1.067 1.00 0.00 C ATOM 1590 C THR A 106 -5.927 -8.316 0.420 1.00 0.00 C ATOM 1591 O THR A 106 -5.563 -9.260 1.119 1.00 0.00 O ATOM 1592 CB THR A 106 -6.205 -9.399 -1.880 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.240 -9.684 -2.889 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.437 -8.939 -2.663 1.00 0.00 C ATOM 0 H THR A 106 -3.785 -9.245 -1.559 1.00 0.00 H new ATOM 0 HA THR A 106 -5.971 -7.322 -1.433 1.00 0.00 H new ATOM 0 HB THR A 106 -6.483 -10.214 -1.212 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.569 -10.408 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.847 -9.780 -3.222 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.189 -8.563 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.153 -8.147 -3.355 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.634 -7.285 0.860 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.043 -7.198 2.252 1.00 0.00 C ATOM 1604 C ILE A 107 -8.456 -6.617 2.329 1.00 0.00 C ATOM 1605 O ILE A 107 -8.731 -5.566 1.752 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.010 -6.415 3.065 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.268 -6.562 4.566 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -5.969 -4.948 2.632 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -7.112 -5.400 5.094 1.00 0.00 C ATOM 0 H ILE A 107 -6.934 -6.503 0.277 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.082 -8.191 2.701 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.026 -6.838 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.779 -7.505 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -5.318 -6.598 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.227 -4.414 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.702 -4.887 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.949 -4.496 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.281 -5.529 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -6.587 -4.461 4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.070 -5.381 4.575 1.00 0.00 H new ATOM 1621 N SER A 108 -9.315 -7.326 3.046 1.00 0.00 N ATOM 1622 CA SER A 108 -10.693 -6.893 3.206 1.00 0.00 C ATOM 1623 C SER A 108 -10.885 -6.259 4.585 1.00 0.00 C ATOM 1624 O SER A 108 -10.388 -6.775 5.585 1.00 0.00 O ATOM 1625 CB SER A 108 -11.662 -8.062 3.019 1.00 0.00 C ATOM 1626 OG SER A 108 -12.972 -7.748 3.483 1.00 0.00 O ATOM 0 H SER A 108 -9.084 -8.198 3.523 1.00 0.00 H new ATOM 0 HA SER A 108 -10.910 -6.150 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.706 -8.331 1.964 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.287 -8.934 3.555 1.00 0.00 H new ATOM 0 HG SER A 108 -13.561 -8.519 3.345 1.00 0.00 H new ATOM 1632 N SER A 109 -11.609 -5.149 4.595 1.00 0.00 N ATOM 1633 CA SER A 109 -11.873 -4.439 5.834 1.00 0.00 C ATOM 1634 C SER A 109 -12.309 -5.426 6.920 1.00 0.00 C ATOM 1635 O SER A 109 -12.707 -6.550 6.618 1.00 0.00 O ATOM 1636 CB SER A 109 -12.943 -3.363 5.635 1.00 0.00 C ATOM 1637 OG SER A 109 -14.202 -3.922 5.274 1.00 0.00 O ATOM 0 H SER A 109 -12.021 -4.724 3.764 1.00 0.00 H new ATOM 0 HA SER A 109 -10.953 -3.945 6.148 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.052 -2.787 6.554 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.619 -2.669 4.860 1.00 0.00 H new ATOM 0 HG SER A 109 -14.621 -3.367 4.583 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.219 -4.969 8.160 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.599 -5.798 9.292 1.00 0.00 C ATOM 1645 C GLY A 110 -14.121 -5.896 9.413 1.00 0.00 C ATOM 1646 O GLY A 110 -14.731 -6.823 8.883 1.00 0.00 O ATOM 0 H GLY A 110 -11.889 -4.036 8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.175 -6.795 9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.184 -5.380 10.209 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.690 -4.927 10.115 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.129 -4.892 10.313 1.00 0.00 C ATOM 1652 C VAL A 111 -16.502 -3.629 11.090 1.00 0.00 C ATOM 1653 O VAL A 111 -15.777 -3.214 11.994 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.594 -6.177 11.001 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.884 -6.368 12.343 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.113 -6.185 11.179 1.00 0.00 C ATOM 0 H VAL A 111 -14.180 -4.160 10.554 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.645 -4.848 9.354 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.328 -7.016 10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.233 -7.288 12.811 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.808 -6.429 12.180 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.105 -5.523 12.995 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.417 -7.109 11.670 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.412 -5.334 11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.594 -6.118 10.203 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.663 -3.036 10.701 1.00 0.00 N ATOM 1667 CA PRO A 112 -18.141 -1.828 11.352 1.00 0.00 C ATOM 1668 C PRO A 112 -18.724 -2.142 12.732 1.00 0.00 C ATOM 1669 O PRO A 112 -19.594 -3.002 12.861 1.00 0.00 O ATOM 1670 CB PRO A 112 -19.166 -1.244 10.394 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.563 -2.381 9.465 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.547 -3.498 9.636 1.00 0.00 C ATOM 0 HA PRO A 112 -17.343 -1.111 11.546 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.032 -0.861 10.934 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.745 -0.410 9.833 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.565 -2.737 9.704 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.584 -2.039 8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -19.032 -4.437 9.904 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.995 -3.676 8.713 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.207 -1.410 13.754 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.666 -1.601 15.119 1.00 0.00 C ATOM 1682 C PRO A 113 -20.048 -0.978 15.325 1.00 0.00 C ATOM 1683 O PRO A 113 -20.547 -0.265 14.456 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.593 -0.967 15.988 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.809 -0.040 15.073 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.175 -0.383 13.638 1.00 0.00 C ATOM 0 HA PRO A 113 -18.797 -2.652 15.375 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -18.037 -0.414 16.816 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.944 -1.727 16.423 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.047 1.001 15.289 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.738 -0.162 15.233 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.545 0.492 13.104 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.310 -0.751 13.086 1.00 0.00 H new