USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 816 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 108 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 112 THR OG1 : rot 83:sc= 1.25 USER MOD Set 2.1: A 103 ASN : amide:sc= -1.82! C(o=-2.4!,f=-9.3!) USER MOD Set 2.2: A 105 THR OG1 : rot -100:sc= -0.589 USER MOD Set 3.1: A 22 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 72 LYS NZ :NH3+ -176:sc= -1.38 (180deg=-1.43!) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= -0.979 (180deg=-0.995) USER MOD Single : A 23 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.037) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -82:sc= 1.06 USER MOD Single : A 44 HIS : no HD1:sc= -3.05! C(o=-3!,f=-4.2!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.602 USER MOD Single : A 55 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.24) USER MOD Single : A 58 MET CE :methyl 148:sc= -0.176 (180deg=-0.802) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -178:sc= -3.17! USER MOD Single : A 71 ASN : amide:sc= -4.28! C(o=-4.3!,f=-11!) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 76 ASN : amide:sc= -2.65! C(o=-2.7!,f=-4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -7.13! C(o=-7.1!,f=-8.8!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.425 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 95 ASN : amide:sc= -0.605 K(o=-0.61,f=-5.4!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 251 N PRO A 18 10.795 -24.785 -10.453 1.00 0.00 N ATOM 252 CA PRO A 18 11.506 -23.599 -9.965 1.00 0.00 C ATOM 253 C PRO A 18 10.625 -22.713 -9.092 1.00 0.00 C ATOM 254 O PRO A 18 10.061 -21.724 -9.563 1.00 0.00 O ATOM 255 CB PRO A 18 11.896 -22.866 -11.251 1.00 0.00 C ATOM 256 CG PRO A 18 10.890 -23.305 -12.258 1.00 0.00 C ATOM 257 CD PRO A 18 10.541 -24.724 -11.902 1.00 0.00 C ATOM 0 HA PRO A 18 12.355 -23.863 -9.334 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.872 -21.785 -11.113 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.908 -23.125 -11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.007 -22.667 -12.231 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.296 -23.244 -13.268 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.502 -24.953 -12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.157 -25.438 -12.448 1.00 0.00 H new ATOM 265 N LEU A 19 10.510 -23.072 -7.818 1.00 0.00 N ATOM 266 CA LEU A 19 9.697 -22.308 -6.878 1.00 0.00 C ATOM 267 C LEU A 19 9.887 -20.809 -7.087 1.00 0.00 C ATOM 268 O LEU A 19 8.918 -20.054 -7.147 1.00 0.00 O ATOM 269 CB LEU A 19 10.056 -22.684 -5.440 1.00 0.00 C ATOM 270 CG LEU A 19 9.635 -24.082 -4.987 1.00 0.00 C ATOM 271 CD1 LEU A 19 10.785 -24.784 -4.281 1.00 0.00 C ATOM 272 CD2 LEU A 19 8.417 -24.004 -4.078 1.00 0.00 C ATOM 0 H LEU A 19 10.969 -23.887 -7.412 1.00 0.00 H new ATOM 0 HA LEU A 19 8.650 -22.551 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.136 -22.595 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.601 -21.954 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 19 9.368 -24.664 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.466 -25.778 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.630 -24.873 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.084 -24.205 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.131 -25.008 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.656 -23.405 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.590 -23.543 -4.617 1.00 0.00 H new ATOM 284 N GLU A 20 11.143 -20.387 -7.198 1.00 0.00 N ATOM 285 CA GLU A 20 11.459 -18.978 -7.401 1.00 0.00 C ATOM 286 C GLU A 20 10.722 -18.425 -8.617 1.00 0.00 C ATOM 287 O GLU A 20 10.091 -17.370 -8.549 1.00 0.00 O ATOM 288 CB GLU A 20 12.968 -18.791 -7.577 1.00 0.00 C ATOM 289 CG GLU A 20 13.760 -18.998 -6.297 1.00 0.00 C ATOM 290 CD GLU A 20 15.134 -18.360 -6.352 1.00 0.00 C ATOM 291 OE1 GLU A 20 15.447 -17.715 -7.374 1.00 0.00 O ATOM 292 OE2 GLU A 20 15.897 -18.507 -5.374 1.00 0.00 O ATOM 0 H GLU A 20 11.957 -21.000 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 20 11.132 -18.428 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.326 -19.489 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.160 -17.787 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.203 -18.581 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.867 -20.066 -6.109 1.00 0.00 H new ATOM 299 N LYS A 21 10.807 -19.145 -9.731 1.00 0.00 N ATOM 300 CA LYS A 21 10.148 -18.729 -10.963 1.00 0.00 C ATOM 301 C LYS A 21 8.640 -18.616 -10.763 1.00 0.00 C ATOM 302 O LYS A 21 7.992 -17.739 -11.337 1.00 0.00 O ATOM 303 CB LYS A 21 10.451 -19.722 -12.088 1.00 0.00 C ATOM 304 CG LYS A 21 9.914 -19.290 -13.441 1.00 0.00 C ATOM 305 CD LYS A 21 8.979 -20.334 -14.029 1.00 0.00 C ATOM 306 CE LYS A 21 7.624 -20.321 -13.339 1.00 0.00 C ATOM 307 NZ LYS A 21 7.522 -21.380 -12.296 1.00 0.00 N ATOM 0 H LYS A 21 11.326 -20.020 -9.805 1.00 0.00 H new ATOM 0 HA LYS A 21 10.534 -17.748 -11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.530 -19.857 -12.161 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.025 -20.692 -11.830 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.384 -18.343 -13.338 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.745 -19.118 -14.125 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.847 -20.147 -15.095 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.428 -21.322 -13.932 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.458 -19.345 -12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.838 -20.464 -14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.590 -21.327 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.638 -22.314 -12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.267 -21.239 -11.584 1.00 0.00 H new ATOM 321 N TYR A 22 8.088 -19.506 -9.946 1.00 0.00 N ATOM 322 CA TYR A 22 6.656 -19.506 -9.672 1.00 0.00 C ATOM 323 C TYR A 22 6.242 -18.234 -8.937 1.00 0.00 C ATOM 324 O TYR A 22 5.241 -17.604 -9.279 1.00 0.00 O ATOM 325 CB TYR A 22 6.275 -20.734 -8.843 1.00 0.00 C ATOM 326 CG TYR A 22 4.991 -20.563 -8.063 1.00 0.00 C ATOM 327 CD1 TYR A 22 4.946 -19.760 -6.930 1.00 0.00 C ATOM 328 CD2 TYR A 22 3.824 -21.205 -8.458 1.00 0.00 C ATOM 329 CE1 TYR A 22 3.775 -19.601 -6.213 1.00 0.00 C ATOM 330 CE2 TYR A 22 2.649 -21.050 -7.748 1.00 0.00 C ATOM 331 CZ TYR A 22 2.630 -20.248 -6.626 1.00 0.00 C ATOM 332 OH TYR A 22 1.461 -20.093 -5.916 1.00 0.00 O ATOM 0 H TYR A 22 8.610 -20.236 -9.462 1.00 0.00 H new ATOM 0 HA TYR A 22 6.129 -19.541 -10.625 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.176 -21.593 -9.506 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.085 -20.959 -8.149 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.841 -19.251 -6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.835 -21.836 -9.335 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.757 -18.973 -5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.750 -21.554 -8.070 1.00 0.00 H new ATOM 0 HH TYR A 22 1.449 -19.208 -5.495 1.00 0.00 H new ATOM 342 N HIS A 23 7.021 -17.862 -7.926 1.00 0.00 N ATOM 343 CA HIS A 23 6.737 -16.665 -7.143 1.00 0.00 C ATOM 344 C HIS A 23 6.896 -15.409 -7.994 1.00 0.00 C ATOM 345 O HIS A 23 6.207 -14.412 -7.780 1.00 0.00 O ATOM 346 CB HIS A 23 7.664 -16.593 -5.929 1.00 0.00 C ATOM 347 CG HIS A 23 7.121 -17.289 -4.719 1.00 0.00 C ATOM 348 ND1 HIS A 23 7.915 -17.984 -3.831 1.00 0.00 N ATOM 349 CD2 HIS A 23 5.855 -17.394 -4.252 1.00 0.00 C ATOM 350 CE1 HIS A 23 7.161 -18.488 -2.871 1.00 0.00 C ATOM 351 NE2 HIS A 23 5.907 -18.144 -3.102 1.00 0.00 N ATOM 0 H HIS A 23 7.853 -18.372 -7.630 1.00 0.00 H new ATOM 0 HA HIS A 23 5.704 -16.722 -6.800 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.626 -17.033 -6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.848 -15.547 -5.684 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.969 -16.968 -4.700 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.510 -19.081 -2.039 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.107 -18.394 -2.521 1.00 0.00 H new ATOM 359 N GLU A 24 7.809 -15.465 -8.959 1.00 0.00 N ATOM 360 CA GLU A 24 8.058 -14.330 -9.841 1.00 0.00 C ATOM 361 C GLU A 24 6.888 -14.116 -10.796 1.00 0.00 C ATOM 362 O GLU A 24 6.467 -12.985 -11.034 1.00 0.00 O ATOM 363 CB GLU A 24 9.347 -14.548 -10.637 1.00 0.00 C ATOM 364 CG GLU A 24 10.610 -14.362 -9.812 1.00 0.00 C ATOM 365 CD GLU A 24 11.130 -12.938 -9.855 1.00 0.00 C ATOM 366 OE1 GLU A 24 11.463 -12.462 -10.961 1.00 0.00 O ATOM 367 OE2 GLU A 24 11.205 -12.301 -8.784 1.00 0.00 O ATOM 0 H GLU A 24 8.388 -16.283 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 24 8.167 -13.439 -9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.341 -15.555 -11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.367 -13.855 -11.478 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.408 -14.640 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.382 -15.038 -10.179 1.00 0.00 H new ATOM 374 N GLU A 25 6.367 -15.212 -11.341 1.00 0.00 N ATOM 375 CA GLU A 25 5.247 -15.144 -12.271 1.00 0.00 C ATOM 376 C GLU A 25 3.955 -14.788 -11.541 1.00 0.00 C ATOM 377 O GLU A 25 3.230 -13.880 -11.948 1.00 0.00 O ATOM 378 CB GLU A 25 5.081 -16.477 -13.003 1.00 0.00 C ATOM 379 CG GLU A 25 3.923 -17.314 -12.488 1.00 0.00 C ATOM 380 CD GLU A 25 3.692 -18.563 -13.317 1.00 0.00 C ATOM 381 OE1 GLU A 25 4.409 -19.562 -13.098 1.00 0.00 O ATOM 382 OE2 GLU A 25 2.793 -18.541 -14.184 1.00 0.00 O ATOM 0 H GLU A 25 6.703 -16.157 -11.154 1.00 0.00 H new ATOM 0 HA GLU A 25 5.460 -14.362 -13.000 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.933 -16.283 -14.065 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.003 -17.051 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.117 -17.599 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.015 -16.710 -12.487 1.00 0.00 H new ATOM 389 N ALA A 26 3.674 -15.510 -10.462 1.00 0.00 N ATOM 390 CA ALA A 26 2.471 -15.270 -9.674 1.00 0.00 C ATOM 391 C ALA A 26 2.497 -13.883 -9.040 1.00 0.00 C ATOM 392 O ALA A 26 1.479 -13.193 -8.991 1.00 0.00 O ATOM 393 CB ALA A 26 2.319 -16.340 -8.603 1.00 0.00 C ATOM 0 H ALA A 26 4.263 -16.266 -10.113 1.00 0.00 H new ATOM 0 HA ALA A 26 1.612 -15.318 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.417 -16.148 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.245 -17.320 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.186 -16.320 -7.943 1.00 0.00 H new ATOM 399 N ASP A 27 3.667 -13.483 -8.554 1.00 0.00 N ATOM 400 CA ASP A 27 3.826 -12.178 -7.922 1.00 0.00 C ATOM 401 C ASP A 27 3.629 -11.056 -8.936 1.00 0.00 C ATOM 402 O ASP A 27 2.948 -10.068 -8.659 1.00 0.00 O ATOM 403 CB ASP A 27 5.209 -12.064 -7.279 1.00 0.00 C ATOM 404 CG ASP A 27 5.450 -10.700 -6.661 1.00 0.00 C ATOM 405 OD1 ASP A 27 4.529 -10.179 -5.999 1.00 0.00 O ATOM 406 OD2 ASP A 27 6.559 -10.155 -6.841 1.00 0.00 O ATOM 0 H ASP A 27 4.519 -14.043 -8.585 1.00 0.00 H new ATOM 0 HA ASP A 27 3.065 -12.082 -7.148 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.314 -12.831 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.973 -12.259 -8.031 1.00 0.00 H new ATOM 411 N ASP A 28 4.229 -11.214 -10.111 1.00 0.00 N ATOM 412 CA ASP A 28 4.119 -10.214 -11.166 1.00 0.00 C ATOM 413 C ASP A 28 2.717 -10.210 -11.767 1.00 0.00 C ATOM 414 O ASP A 28 2.243 -9.183 -12.255 1.00 0.00 O ATOM 415 CB ASP A 28 5.155 -10.481 -12.260 1.00 0.00 C ATOM 416 CG ASP A 28 4.934 -9.622 -13.489 1.00 0.00 C ATOM 417 OD1 ASP A 28 3.857 -9.741 -14.110 1.00 0.00 O ATOM 418 OD2 ASP A 28 5.837 -8.830 -13.829 1.00 0.00 O ATOM 0 H ASP A 28 4.796 -12.025 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 28 4.309 -9.235 -10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.153 -10.294 -11.864 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.117 -11.533 -12.544 1.00 0.00 H new ATOM 423 N TYR A 29 2.059 -11.363 -11.730 1.00 0.00 N ATOM 424 CA TYR A 29 0.713 -11.493 -12.274 1.00 0.00 C ATOM 425 C TYR A 29 -0.298 -10.742 -11.412 1.00 0.00 C ATOM 426 O TYR A 29 -1.091 -9.945 -11.916 1.00 0.00 O ATOM 427 CB TYR A 29 0.320 -12.968 -12.371 1.00 0.00 C ATOM 428 CG TYR A 29 0.225 -13.477 -13.792 1.00 0.00 C ATOM 429 CD1 TYR A 29 -0.880 -13.187 -14.582 1.00 0.00 C ATOM 430 CD2 TYR A 29 1.241 -14.249 -14.343 1.00 0.00 C ATOM 431 CE1 TYR A 29 -0.971 -13.650 -15.881 1.00 0.00 C ATOM 432 CE2 TYR A 29 1.159 -14.715 -15.641 1.00 0.00 C ATOM 433 CZ TYR A 29 0.051 -14.413 -16.405 1.00 0.00 C ATOM 434 OH TYR A 29 -0.034 -14.877 -17.698 1.00 0.00 O ATOM 0 H TYR A 29 2.436 -12.222 -11.329 1.00 0.00 H new ATOM 0 HA TYR A 29 0.708 -11.056 -13.272 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.051 -13.567 -11.828 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.641 -13.113 -11.877 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.682 -12.589 -14.174 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.109 -14.489 -13.747 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.837 -13.416 -16.482 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.958 -15.312 -16.055 1.00 0.00 H new ATOM 0 HH TYR A 29 0.768 -15.397 -17.912 1.00 0.00 H new ATOM 444 N LEU A 30 -0.263 -11.000 -10.110 1.00 0.00 N ATOM 445 CA LEU A 30 -1.174 -10.349 -9.175 1.00 0.00 C ATOM 446 C LEU A 30 -0.875 -8.856 -9.074 1.00 0.00 C ATOM 447 O LEU A 30 -1.787 -8.030 -9.054 1.00 0.00 O ATOM 448 CB LEU A 30 -1.069 -10.997 -7.794 1.00 0.00 C ATOM 449 CG LEU A 30 -1.225 -12.517 -7.752 1.00 0.00 C ATOM 450 CD1 LEU A 30 -0.312 -13.119 -6.695 1.00 0.00 C ATOM 451 CD2 LEU A 30 -2.675 -12.897 -7.486 1.00 0.00 C ATOM 0 H LEU A 30 0.387 -11.656 -9.677 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.190 -10.473 -9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.100 -10.739 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.829 -10.556 -7.149 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.937 -12.919 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.437 -14.202 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.725 -12.877 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.568 -12.711 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.768 -13.983 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.990 -12.482 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.307 -12.498 -8.279 1.00 0.00 H new ATOM 463 N ASP A 31 0.408 -8.519 -9.011 1.00 0.00 N ATOM 464 CA ASP A 31 0.828 -7.126 -8.915 1.00 0.00 C ATOM 465 C ASP A 31 0.341 -6.327 -10.120 1.00 0.00 C ATOM 466 O ASP A 31 -0.238 -5.250 -9.971 1.00 0.00 O ATOM 467 CB ASP A 31 2.352 -7.036 -8.811 1.00 0.00 C ATOM 468 CG ASP A 31 2.825 -6.857 -7.382 1.00 0.00 C ATOM 469 OD1 ASP A 31 2.344 -7.600 -6.500 1.00 0.00 O ATOM 470 OD2 ASP A 31 3.677 -5.976 -7.145 1.00 0.00 O ATOM 0 H ASP A 31 1.175 -9.191 -9.025 1.00 0.00 H new ATOM 0 HA ASP A 31 0.384 -6.700 -8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.796 -7.941 -9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.706 -6.201 -9.415 1.00 0.00 H new ATOM 475 N HIS A 32 0.579 -6.861 -11.314 1.00 0.00 N ATOM 476 CA HIS A 32 0.164 -6.197 -12.545 1.00 0.00 C ATOM 477 C HIS A 32 -1.356 -6.189 -12.672 1.00 0.00 C ATOM 478 O HIS A 32 -1.929 -5.327 -13.339 1.00 0.00 O ATOM 479 CB HIS A 32 0.785 -6.891 -13.757 1.00 0.00 C ATOM 480 CG HIS A 32 2.099 -6.306 -14.174 1.00 0.00 C ATOM 481 ND1 HIS A 32 2.220 -5.360 -15.170 1.00 0.00 N ATOM 482 CD2 HIS A 32 3.354 -6.537 -13.722 1.00 0.00 C ATOM 483 CE1 HIS A 32 3.492 -5.035 -15.314 1.00 0.00 C ATOM 484 NE2 HIS A 32 4.202 -5.735 -14.447 1.00 0.00 N ATOM 0 H HIS A 32 1.057 -7.751 -11.455 1.00 0.00 H new ATOM 0 HA HIS A 32 0.513 -5.165 -12.508 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.923 -7.948 -13.529 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.089 -6.834 -14.594 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.636 -7.224 -12.938 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.885 -4.319 -16.020 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.215 -5.688 -14.334 1.00 0.00 H new ATOM 492 N LEU A 33 -2.004 -7.154 -12.029 1.00 0.00 N ATOM 493 CA LEU A 33 -3.459 -7.259 -12.070 1.00 0.00 C ATOM 494 C LEU A 33 -4.109 -6.106 -11.313 1.00 0.00 C ATOM 495 O LEU A 33 -4.951 -5.389 -11.856 1.00 0.00 O ATOM 496 CB LEU A 33 -3.911 -8.594 -11.477 1.00 0.00 C ATOM 497 CG LEU A 33 -4.602 -9.558 -12.441 1.00 0.00 C ATOM 498 CD1 LEU A 33 -4.154 -10.988 -12.180 1.00 0.00 C ATOM 499 CD2 LEU A 33 -6.115 -9.440 -12.320 1.00 0.00 C ATOM 0 H LEU A 33 -1.545 -7.875 -11.473 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.773 -7.208 -13.112 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.039 -9.095 -11.056 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.591 -8.389 -10.650 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.317 -9.290 -13.458 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.657 -11.660 -12.876 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.075 -11.062 -12.319 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.408 -11.268 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.591 -10.133 -13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.418 -9.681 -11.301 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.421 -8.421 -12.559 1.00 0.00 H new ATOM 511 N LEU A 34 -3.713 -5.932 -10.057 1.00 0.00 N ATOM 512 CA LEU A 34 -4.256 -4.864 -9.225 1.00 0.00 C ATOM 513 C LEU A 34 -3.770 -3.500 -9.703 1.00 0.00 C ATOM 514 O LEU A 34 -4.435 -2.485 -9.496 1.00 0.00 O ATOM 515 CB LEU A 34 -3.857 -5.077 -7.763 1.00 0.00 C ATOM 516 CG LEU A 34 -2.376 -5.358 -7.506 1.00 0.00 C ATOM 517 CD1 LEU A 34 -1.662 -4.093 -7.057 1.00 0.00 C ATOM 518 CD2 LEU A 34 -2.215 -6.460 -6.470 1.00 0.00 C ATOM 0 H LEU A 34 -3.018 -6.517 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.343 -4.890 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.142 -4.190 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.438 -5.909 -7.366 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.923 -5.694 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.609 -4.313 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.748 -3.332 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.117 -3.726 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.155 -6.647 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.684 -6.152 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.691 -7.372 -6.832 1.00 0.00 H new ATOM 530 N ASP A 35 -2.608 -3.484 -10.346 1.00 0.00 N ATOM 531 CA ASP A 35 -2.034 -2.245 -10.857 1.00 0.00 C ATOM 532 C ASP A 35 -2.837 -1.723 -12.045 1.00 0.00 C ATOM 533 O ASP A 35 -3.110 -0.527 -12.146 1.00 0.00 O ATOM 534 CB ASP A 35 -0.577 -2.463 -11.268 1.00 0.00 C ATOM 535 CG ASP A 35 0.181 -1.160 -11.430 1.00 0.00 C ATOM 536 OD1 ASP A 35 -0.458 -0.139 -11.760 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.413 -1.162 -11.227 1.00 0.00 O ATOM 0 H ASP A 35 -2.045 -4.315 -10.526 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.071 -1.502 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.079 -3.078 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.546 -3.017 -12.206 1.00 0.00 H new ATOM 542 N SER A 36 -3.211 -2.629 -12.943 1.00 0.00 N ATOM 543 CA SER A 36 -3.978 -2.260 -14.127 1.00 0.00 C ATOM 544 C SER A 36 -5.422 -1.933 -13.759 1.00 0.00 C ATOM 545 O SER A 36 -6.021 -1.009 -14.310 1.00 0.00 O ATOM 546 CB SER A 36 -3.947 -3.393 -15.155 1.00 0.00 C ATOM 547 OG SER A 36 -3.974 -2.884 -16.477 1.00 0.00 O ATOM 0 H SER A 36 -2.995 -3.623 -12.873 1.00 0.00 H new ATOM 0 HA SER A 36 -3.521 -1.371 -14.562 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.049 -3.994 -15.012 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.800 -4.053 -14.999 1.00 0.00 H new ATOM 0 HG SER A 36 -3.952 -3.628 -17.115 1.00 0.00 H new ATOM 553 N LEU A 37 -5.975 -2.697 -12.823 1.00 0.00 N ATOM 554 CA LEU A 37 -7.349 -2.489 -12.379 1.00 0.00 C ATOM 555 C LEU A 37 -7.469 -1.208 -11.560 1.00 0.00 C ATOM 556 O LEU A 37 -8.433 -0.457 -11.704 1.00 0.00 O ATOM 557 CB LEU A 37 -7.823 -3.684 -11.550 1.00 0.00 C ATOM 558 CG LEU A 37 -8.530 -4.798 -12.322 1.00 0.00 C ATOM 559 CD1 LEU A 37 -9.545 -4.214 -13.293 1.00 0.00 C ATOM 560 CD2 LEU A 37 -7.518 -5.661 -13.061 1.00 0.00 C ATOM 0 H LEU A 37 -5.493 -3.466 -12.357 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.980 -2.393 -13.263 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.960 -4.113 -11.041 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.499 -3.319 -10.777 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.061 -5.427 -11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.038 -5.022 -13.833 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.289 -3.640 -12.740 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.036 -3.561 -14.002 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.040 -6.449 -13.605 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.958 -5.044 -13.764 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.830 -6.109 -12.344 1.00 0.00 H new ATOM 572 N GLU A 38 -6.482 -0.964 -10.703 1.00 0.00 N ATOM 573 CA GLU A 38 -6.477 0.228 -9.863 1.00 0.00 C ATOM 574 C GLU A 38 -6.331 1.489 -10.710 1.00 0.00 C ATOM 575 O GLU A 38 -6.966 2.507 -10.439 1.00 0.00 O ATOM 576 CB GLU A 38 -5.343 0.153 -8.839 1.00 0.00 C ATOM 577 CG GLU A 38 -5.626 -0.794 -7.686 1.00 0.00 C ATOM 578 CD GLU A 38 -6.077 -0.069 -6.433 1.00 0.00 C ATOM 579 OE1 GLU A 38 -6.638 1.039 -6.557 1.00 0.00 O ATOM 580 OE2 GLU A 38 -5.868 -0.611 -5.327 1.00 0.00 O ATOM 0 H GLU A 38 -5.676 -1.576 -10.572 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.430 0.274 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.430 -0.164 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.157 1.151 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.395 -1.506 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.727 -1.370 -7.465 1.00 0.00 H new ATOM 587 N GLU A 39 -5.488 1.412 -11.735 1.00 0.00 N ATOM 588 CA GLU A 39 -5.257 2.548 -12.619 1.00 0.00 C ATOM 589 C GLU A 39 -6.462 2.787 -13.524 1.00 0.00 C ATOM 590 O GLU A 39 -6.764 3.925 -13.887 1.00 0.00 O ATOM 591 CB GLU A 39 -4.006 2.315 -13.470 1.00 0.00 C ATOM 592 CG GLU A 39 -2.795 3.103 -13.000 1.00 0.00 C ATOM 593 CD GLU A 39 -1.781 3.328 -14.105 1.00 0.00 C ATOM 594 OE1 GLU A 39 -1.165 2.338 -14.554 1.00 0.00 O ATOM 595 OE2 GLU A 39 -1.603 4.492 -14.520 1.00 0.00 O ATOM 0 H GLU A 39 -4.954 0.576 -11.973 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.107 3.432 -12.000 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.763 1.252 -13.461 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.225 2.583 -14.504 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.122 4.067 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.318 2.572 -12.177 1.00 0.00 H new ATOM 602 N LEU A 40 -7.147 1.708 -13.884 1.00 0.00 N ATOM 603 CA LEU A 40 -8.320 1.799 -14.747 1.00 0.00 C ATOM 604 C LEU A 40 -9.520 2.343 -13.979 1.00 0.00 C ATOM 605 O LEU A 40 -10.422 2.944 -14.562 1.00 0.00 O ATOM 606 CB LEU A 40 -8.655 0.425 -15.332 1.00 0.00 C ATOM 607 CG LEU A 40 -7.727 -0.077 -16.438 1.00 0.00 C ATOM 608 CD1 LEU A 40 -7.968 -1.555 -16.706 1.00 0.00 C ATOM 609 CD2 LEU A 40 -7.923 0.736 -17.709 1.00 0.00 C ATOM 0 H LEU A 40 -6.911 0.760 -13.592 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.090 2.487 -15.560 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.649 -0.304 -14.522 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.671 0.457 -15.725 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.696 0.048 -16.106 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.299 -1.895 -17.496 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.776 -2.126 -15.797 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.002 -1.705 -17.017 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.254 0.364 -18.485 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.956 0.643 -18.045 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.700 1.784 -17.509 1.00 0.00 H new ATOM 621 N SER A 41 -9.523 2.131 -12.667 1.00 0.00 N ATOM 622 CA SER A 41 -10.612 2.599 -11.818 1.00 0.00 C ATOM 623 C SER A 41 -10.343 4.016 -11.321 1.00 0.00 C ATOM 624 O SER A 41 -11.269 4.749 -10.974 1.00 0.00 O ATOM 625 CB SER A 41 -10.802 1.656 -10.629 1.00 0.00 C ATOM 626 OG SER A 41 -9.566 1.381 -9.993 1.00 0.00 O ATOM 0 H SER A 41 -8.783 1.638 -12.168 1.00 0.00 H new ATOM 0 HA SER A 41 -11.525 2.609 -12.413 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.491 2.103 -9.913 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.255 0.725 -10.968 1.00 0.00 H new ATOM 0 HG SER A 41 -9.101 0.667 -10.477 1.00 0.00 H new ATOM 632 N GLU A 42 -9.069 4.393 -11.289 1.00 0.00 N ATOM 633 CA GLU A 42 -8.677 5.722 -10.833 1.00 0.00 C ATOM 634 C GLU A 42 -8.557 6.687 -12.008 1.00 0.00 C ATOM 635 O GLU A 42 -8.987 7.837 -11.928 1.00 0.00 O ATOM 636 CB GLU A 42 -7.350 5.654 -10.075 1.00 0.00 C ATOM 637 CG GLU A 42 -6.922 6.984 -9.477 1.00 0.00 C ATOM 638 CD GLU A 42 -6.481 6.859 -8.032 1.00 0.00 C ATOM 639 OE1 GLU A 42 -5.411 6.263 -7.788 1.00 0.00 O ATOM 640 OE2 GLU A 42 -7.206 7.356 -7.145 1.00 0.00 O ATOM 0 H GLU A 42 -8.291 3.798 -11.573 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.452 6.091 -10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.435 4.917 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.572 5.303 -10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.105 7.398 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.750 7.690 -9.540 1.00 0.00 H new ATOM 647 N ALA A 43 -7.967 6.210 -13.100 1.00 0.00 N ATOM 648 CA ALA A 43 -7.790 7.029 -14.293 1.00 0.00 C ATOM 649 C ALA A 43 -9.125 7.291 -14.981 1.00 0.00 C ATOM 650 O ALA A 43 -9.338 8.357 -15.560 1.00 0.00 O ATOM 651 CB ALA A 43 -6.821 6.357 -15.255 1.00 0.00 C ATOM 0 H ALA A 43 -7.604 5.261 -13.183 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.374 7.989 -13.987 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.698 6.979 -16.141 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.855 6.226 -14.767 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.215 5.383 -15.547 1.00 0.00 H new ATOM 657 N HIS A 44 -10.023 6.313 -14.914 1.00 0.00 N ATOM 658 CA HIS A 44 -11.338 6.439 -15.532 1.00 0.00 C ATOM 659 C HIS A 44 -12.061 5.095 -15.551 1.00 0.00 C ATOM 660 O HIS A 44 -11.936 4.310 -16.491 1.00 0.00 O ATOM 661 CB HIS A 44 -11.207 6.981 -16.955 1.00 0.00 C ATOM 662 CG HIS A 44 -12.354 6.612 -17.845 1.00 0.00 C ATOM 663 ND1 HIS A 44 -13.601 6.271 -17.363 1.00 0.00 N ATOM 664 CD2 HIS A 44 -12.439 6.534 -19.193 1.00 0.00 C ATOM 665 CE1 HIS A 44 -14.402 5.997 -18.377 1.00 0.00 C ATOM 666 NE2 HIS A 44 -13.722 6.150 -19.499 1.00 0.00 N ATOM 0 H HIS A 44 -9.864 5.425 -14.438 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.925 7.139 -14.938 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.124 8.067 -16.915 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.282 6.606 -17.394 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.646 6.736 -19.897 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -15.437 5.699 -18.301 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -14.090 6.006 -20.440 1.00 0.00 H new ATOM 674 N PRO A 45 -12.833 4.823 -14.489 1.00 0.00 N ATOM 675 CA PRO A 45 -13.590 3.574 -14.360 1.00 0.00 C ATOM 676 C PRO A 45 -14.749 3.494 -15.348 1.00 0.00 C ATOM 677 O PRO A 45 -14.587 3.022 -16.473 1.00 0.00 O ATOM 678 CB PRO A 45 -14.114 3.623 -12.923 1.00 0.00 C ATOM 679 CG PRO A 45 -14.169 5.074 -12.589 1.00 0.00 C ATOM 680 CD PRO A 45 -13.028 5.713 -13.332 1.00 0.00 C ATOM 0 HA PRO A 45 -12.974 2.700 -14.573 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.098 3.161 -12.845 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.454 3.085 -12.242 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.123 5.508 -12.890 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.072 5.231 -11.515 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.270 6.729 -13.643 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.131 5.773 -12.716 1.00 0.00 H new ATOM 688 N ASP A 46 -15.918 3.959 -14.920 1.00 0.00 N ATOM 689 CA ASP A 46 -17.104 3.942 -15.767 1.00 0.00 C ATOM 690 C ASP A 46 -18.346 4.334 -14.972 1.00 0.00 C ATOM 691 O ASP A 46 -19.258 4.971 -15.500 1.00 0.00 O ATOM 692 CB ASP A 46 -17.296 2.556 -16.385 1.00 0.00 C ATOM 693 CG ASP A 46 -17.394 2.604 -17.897 1.00 0.00 C ATOM 694 OD1 ASP A 46 -17.994 3.565 -18.423 1.00 0.00 O ATOM 695 OD2 ASP A 46 -16.869 1.682 -18.555 1.00 0.00 O ATOM 0 H ASP A 46 -16.069 4.352 -13.991 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.960 4.671 -16.565 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.462 1.915 -16.098 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -18.201 2.103 -15.980 1.00 0.00 H new ATOM 700 N CYS A 47 -18.374 3.948 -13.701 1.00 0.00 N ATOM 701 CA CYS A 47 -19.505 4.258 -12.833 1.00 0.00 C ATOM 702 C CYS A 47 -19.053 4.409 -11.385 1.00 0.00 C ATOM 703 O CYS A 47 -19.124 5.497 -10.812 1.00 0.00 O ATOM 704 CB CYS A 47 -20.569 3.164 -12.937 1.00 0.00 C ATOM 705 SG CYS A 47 -22.188 3.758 -13.479 1.00 0.00 S ATOM 0 H CYS A 47 -17.627 3.420 -13.249 1.00 0.00 H new ATOM 0 HA CYS A 47 -19.935 5.205 -13.161 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -20.222 2.400 -13.633 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -20.677 2.684 -11.965 1.00 0.00 H new ATOM 0 HG CYS A 47 -23.019 2.760 -13.538 1.00 0.00 H new ATOM 711 N ILE A 48 -18.590 3.311 -10.797 1.00 0.00 N ATOM 712 CA ILE A 48 -18.128 3.321 -9.415 1.00 0.00 C ATOM 713 C ILE A 48 -17.585 1.956 -9.006 1.00 0.00 C ATOM 714 O ILE A 48 -18.069 1.325 -8.066 1.00 0.00 O ATOM 715 CB ILE A 48 -19.255 3.724 -8.447 1.00 0.00 C ATOM 716 CG1 ILE A 48 -20.619 3.368 -9.042 1.00 0.00 C ATOM 717 CG2 ILE A 48 -19.180 5.211 -8.135 1.00 0.00 C ATOM 718 CD1 ILE A 48 -21.693 3.142 -8.000 1.00 0.00 C ATOM 0 H ILE A 48 -18.525 2.403 -11.257 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.328 4.059 -9.356 1.00 0.00 H new ATOM 0 HB ILE A 48 -19.129 3.171 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.935 4.169 -9.710 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.518 2.468 -9.649 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.984 5.480 -7.449 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -18.219 5.438 -7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.284 5.782 -9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.633 2.894 -8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.399 2.321 -7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.822 4.048 -7.408 1.00 0.00 H new ATOM 730 N PRO A 49 -16.556 1.488 -9.727 1.00 0.00 N ATOM 731 CA PRO A 49 -15.923 0.194 -9.456 1.00 0.00 C ATOM 732 C PRO A 49 -15.136 0.195 -8.150 1.00 0.00 C ATOM 733 O PRO A 49 -14.834 1.253 -7.597 1.00 0.00 O ATOM 734 CB PRO A 49 -14.982 0.003 -10.648 1.00 0.00 C ATOM 735 CG PRO A 49 -14.685 1.384 -11.121 1.00 0.00 C ATOM 736 CD PRO A 49 -15.929 2.187 -10.861 1.00 0.00 C ATOM 0 HA PRO A 49 -16.658 -0.603 -9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.072 -0.519 -10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.451 -0.592 -11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.831 1.804 -10.589 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.433 1.388 -12.181 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -15.695 3.223 -10.615 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.584 2.207 -11.732 1.00 0.00 H new ATOM 744 N ASP A 50 -14.805 -0.996 -7.663 1.00 0.00 N ATOM 745 CA ASP A 50 -14.051 -1.132 -6.423 1.00 0.00 C ATOM 746 C ASP A 50 -12.837 -2.034 -6.621 1.00 0.00 C ATOM 747 O ASP A 50 -12.887 -3.003 -7.379 1.00 0.00 O ATOM 748 CB ASP A 50 -14.945 -1.694 -5.316 1.00 0.00 C ATOM 749 CG ASP A 50 -14.995 -0.792 -4.098 1.00 0.00 C ATOM 750 OD1 ASP A 50 -14.133 -0.949 -3.208 1.00 0.00 O ATOM 751 OD2 ASP A 50 -15.895 0.071 -4.036 1.00 0.00 O ATOM 0 H ASP A 50 -15.047 -1.881 -8.108 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.701 -0.142 -6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.954 -1.833 -5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.579 -2.677 -5.021 1.00 0.00 H new ATOM 756 N VAL A 51 -11.746 -1.710 -5.934 1.00 0.00 N ATOM 757 CA VAL A 51 -10.519 -2.491 -6.034 1.00 0.00 C ATOM 758 C VAL A 51 -10.148 -3.106 -4.690 1.00 0.00 C ATOM 759 O VAL A 51 -10.336 -2.490 -3.642 1.00 0.00 O ATOM 760 CB VAL A 51 -9.344 -1.629 -6.534 1.00 0.00 C ATOM 761 CG1 VAL A 51 -9.701 -0.949 -7.847 1.00 0.00 C ATOM 762 CG2 VAL A 51 -8.951 -0.603 -5.481 1.00 0.00 C ATOM 0 H VAL A 51 -11.687 -0.912 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.708 -3.287 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.488 -2.280 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.859 -0.345 -8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.929 -1.705 -8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.571 -0.309 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.120 -0.003 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.801 0.046 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.650 -1.116 -4.568 1.00 0.00 H new ATOM 772 N GLU A 52 -9.620 -4.326 -4.729 1.00 0.00 N ATOM 773 CA GLU A 52 -9.222 -5.025 -3.512 1.00 0.00 C ATOM 774 C GLU A 52 -8.091 -6.009 -3.795 1.00 0.00 C ATOM 775 O GLU A 52 -8.179 -6.828 -4.711 1.00 0.00 O ATOM 776 CB GLU A 52 -10.418 -5.765 -2.909 1.00 0.00 C ATOM 777 CG GLU A 52 -11.758 -5.310 -3.463 1.00 0.00 C ATOM 778 CD GLU A 52 -12.927 -6.041 -2.833 1.00 0.00 C ATOM 779 OE1 GLU A 52 -12.736 -6.656 -1.763 1.00 0.00 O ATOM 780 OE2 GLU A 52 -14.034 -5.998 -3.410 1.00 0.00 O ATOM 0 H GLU A 52 -9.458 -4.850 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.865 -4.283 -2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.303 -6.833 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.414 -5.624 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.871 -4.239 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.774 -5.468 -4.541 1.00 0.00 H new ATOM 787 N LEU A 53 -7.028 -5.922 -3.003 1.00 0.00 N ATOM 788 CA LEU A 53 -5.877 -6.804 -3.167 1.00 0.00 C ATOM 789 C LEU A 53 -5.542 -7.511 -1.858 1.00 0.00 C ATOM 790 O LEU A 53 -5.172 -6.872 -0.873 1.00 0.00 O ATOM 791 CB LEU A 53 -4.665 -6.009 -3.655 1.00 0.00 C ATOM 792 CG LEU A 53 -3.305 -6.687 -3.487 1.00 0.00 C ATOM 793 CD1 LEU A 53 -2.858 -6.633 -2.034 1.00 0.00 C ATOM 794 CD2 LEU A 53 -3.363 -8.126 -3.976 1.00 0.00 C ATOM 0 H LEU A 53 -6.939 -5.250 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.132 -7.558 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.807 -5.781 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.642 -5.057 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.574 -6.149 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.888 -7.120 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.776 -5.593 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.589 -7.147 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.386 -8.593 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.106 -8.677 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.638 -8.141 -5.031 1.00 0.00 H new ATOM 806 N SER A 54 -5.672 -8.834 -1.855 1.00 0.00 N ATOM 807 CA SER A 54 -5.384 -9.628 -0.667 1.00 0.00 C ATOM 808 C SER A 54 -4.144 -10.490 -0.877 1.00 0.00 C ATOM 809 O SER A 54 -3.685 -10.674 -2.005 1.00 0.00 O ATOM 810 CB SER A 54 -6.582 -10.514 -0.317 1.00 0.00 C ATOM 811 OG SER A 54 -7.748 -10.087 -0.999 1.00 0.00 O ATOM 0 H SER A 54 -5.975 -9.378 -2.663 1.00 0.00 H new ATOM 0 HA SER A 54 -5.193 -8.944 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.362 -11.549 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.756 -10.488 0.759 1.00 0.00 H new ATOM 0 HG SER A 54 -8.499 -10.670 -0.760 1.00 0.00 H new ATOM 817 N HIS A 55 -3.605 -11.018 0.218 1.00 0.00 N ATOM 818 CA HIS A 55 -2.417 -11.862 0.155 1.00 0.00 C ATOM 819 C HIS A 55 -2.614 -13.005 -0.836 1.00 0.00 C ATOM 820 O HIS A 55 -2.992 -14.112 -0.455 1.00 0.00 O ATOM 821 CB HIS A 55 -2.090 -12.423 1.539 1.00 0.00 C ATOM 822 CG HIS A 55 -2.111 -11.390 2.624 1.00 0.00 C ATOM 823 ND1 HIS A 55 -2.456 -11.676 3.928 1.00 0.00 N ATOM 824 CD2 HIS A 55 -1.826 -10.067 2.593 1.00 0.00 C ATOM 825 CE1 HIS A 55 -2.384 -10.573 4.652 1.00 0.00 C ATOM 826 NE2 HIS A 55 -2.003 -9.582 3.866 1.00 0.00 N ATOM 0 H HIS A 55 -3.972 -10.876 1.159 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.584 -11.248 -0.186 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.806 -13.208 1.782 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.105 -12.888 1.510 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.517 -9.499 1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.600 -10.495 5.707 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -1.863 -8.614 4.157 1.00 0.00 H new ATOM 834 N GLY A 56 -2.357 -12.728 -2.111 1.00 0.00 N ATOM 835 CA GLY A 56 -2.513 -13.742 -3.137 1.00 0.00 C ATOM 836 C GLY A 56 -3.842 -13.636 -3.859 1.00 0.00 C ATOM 837 O GLY A 56 -4.092 -14.360 -4.823 1.00 0.00 O ATOM 0 H GLY A 56 -2.043 -11.819 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.702 -13.651 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.427 -14.730 -2.684 1.00 0.00 H new ATOM 841 N VAL A 57 -4.697 -12.733 -3.392 1.00 0.00 N ATOM 842 CA VAL A 57 -6.008 -12.535 -4.000 1.00 0.00 C ATOM 843 C VAL A 57 -6.129 -11.141 -4.605 1.00 0.00 C ATOM 844 O VAL A 57 -5.481 -10.198 -4.151 1.00 0.00 O ATOM 845 CB VAL A 57 -7.139 -12.737 -2.973 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.453 -13.036 -3.678 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.781 -13.850 -2.000 1.00 0.00 C ATOM 0 H VAL A 57 -4.506 -12.126 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.106 -13.280 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.261 -11.814 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.240 -13.176 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.713 -12.203 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.349 -13.944 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.590 -13.980 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.631 -14.779 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.864 -13.590 -1.471 1.00 0.00 H new ATOM 857 N MET A 58 -6.963 -11.018 -5.632 1.00 0.00 N ATOM 858 CA MET A 58 -7.171 -9.737 -6.298 1.00 0.00 C ATOM 859 C MET A 58 -8.653 -9.500 -6.570 1.00 0.00 C ATOM 860 O MET A 58 -9.157 -9.822 -7.647 1.00 0.00 O ATOM 861 CB MET A 58 -6.385 -9.688 -7.610 1.00 0.00 C ATOM 862 CG MET A 58 -5.666 -8.368 -7.838 1.00 0.00 C ATOM 863 SD MET A 58 -6.573 -7.264 -8.938 1.00 0.00 S ATOM 864 CE MET A 58 -7.318 -6.145 -7.755 1.00 0.00 C ATOM 0 H MET A 58 -7.506 -11.789 -6.021 1.00 0.00 H new ATOM 0 HA MET A 58 -6.811 -8.949 -5.637 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.654 -10.497 -7.617 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.068 -9.869 -8.440 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.511 -7.873 -6.879 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.680 -8.564 -8.259 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.410 -5.154 -8.200 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.306 -6.512 -7.479 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.691 -6.086 -6.865 1.00 0.00 H new ATOM 874 N THR A 59 -9.347 -8.934 -5.588 1.00 0.00 N ATOM 875 CA THR A 59 -10.771 -8.655 -5.721 1.00 0.00 C ATOM 876 C THR A 59 -11.007 -7.282 -6.339 1.00 0.00 C ATOM 877 O THR A 59 -10.339 -6.308 -5.987 1.00 0.00 O ATOM 878 CB THR A 59 -11.486 -8.721 -4.358 1.00 0.00 C ATOM 879 OG1 THR A 59 -10.575 -9.168 -3.348 1.00 0.00 O ATOM 880 CG2 THR A 59 -12.683 -9.659 -4.420 1.00 0.00 C ATOM 0 H THR A 59 -8.946 -8.660 -4.691 1.00 0.00 H new ATOM 0 HA THR A 59 -11.183 -9.422 -6.377 1.00 0.00 H new ATOM 0 HB THR A 59 -11.841 -7.721 -4.109 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.037 -9.206 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.172 -9.690 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.388 -9.300 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.347 -10.660 -4.689 1.00 0.00 H new ATOM 888 N LEU A 60 -11.960 -7.209 -7.262 1.00 0.00 N ATOM 889 CA LEU A 60 -12.285 -5.953 -7.929 1.00 0.00 C ATOM 890 C LEU A 60 -13.764 -5.899 -8.297 1.00 0.00 C ATOM 891 O LEU A 60 -14.242 -6.695 -9.104 1.00 0.00 O ATOM 892 CB LEU A 60 -11.428 -5.785 -9.186 1.00 0.00 C ATOM 893 CG LEU A 60 -11.901 -4.726 -10.183 1.00 0.00 C ATOM 894 CD1 LEU A 60 -11.068 -3.460 -10.053 1.00 0.00 C ATOM 895 CD2 LEU A 60 -11.836 -5.266 -11.604 1.00 0.00 C ATOM 0 H LEU A 60 -12.521 -8.005 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.072 -5.137 -7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.412 -5.538 -8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.381 -6.745 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.938 -4.478 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.419 -2.718 -10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.165 -3.063 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.022 -3.691 -10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.176 -4.500 -12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.809 -5.542 -11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.477 -6.144 -11.689 1.00 0.00 H new ATOM 907 N GLU A 61 -14.482 -4.952 -7.701 1.00 0.00 N ATOM 908 CA GLU A 61 -15.907 -4.794 -7.967 1.00 0.00 C ATOM 909 C GLU A 61 -16.136 -3.964 -9.228 1.00 0.00 C ATOM 910 O GLU A 61 -15.442 -2.975 -9.467 1.00 0.00 O ATOM 911 CB GLU A 61 -16.601 -4.132 -6.775 1.00 0.00 C ATOM 912 CG GLU A 61 -17.477 -2.951 -7.159 1.00 0.00 C ATOM 913 CD GLU A 61 -18.289 -2.423 -5.993 1.00 0.00 C ATOM 914 OE1 GLU A 61 -18.716 -3.240 -5.150 1.00 0.00 O ATOM 915 OE2 GLU A 61 -18.498 -1.194 -5.922 1.00 0.00 O ATOM 0 H GLU A 61 -14.101 -4.283 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.334 -5.785 -8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.212 -4.875 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.845 -3.797 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.850 -2.151 -7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.152 -3.250 -7.961 1.00 0.00 H new ATOM 922 N ILE A 62 -17.112 -4.375 -10.030 1.00 0.00 N ATOM 923 CA ILE A 62 -17.432 -3.670 -11.265 1.00 0.00 C ATOM 924 C ILE A 62 -18.941 -3.578 -11.470 1.00 0.00 C ATOM 925 O ILE A 62 -19.594 -4.531 -11.896 1.00 0.00 O ATOM 926 CB ILE A 62 -16.801 -4.362 -12.488 1.00 0.00 C ATOM 927 CG1 ILE A 62 -15.333 -4.692 -12.212 1.00 0.00 C ATOM 928 CG2 ILE A 62 -16.929 -3.479 -13.720 1.00 0.00 C ATOM 929 CD1 ILE A 62 -14.408 -3.504 -12.356 1.00 0.00 C ATOM 0 H ILE A 62 -17.695 -5.192 -9.847 1.00 0.00 H new ATOM 0 HA ILE A 62 -17.018 -2.666 -11.172 1.00 0.00 H new ATOM 0 HB ILE A 62 -17.334 -5.294 -12.676 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -15.243 -5.092 -11.202 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -15.011 -5.478 -12.896 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -16.479 -3.981 -14.576 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -17.983 -3.289 -13.924 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -16.417 -2.533 -13.544 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.384 -3.813 -12.146 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.469 -3.117 -13.373 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -14.704 -2.725 -11.653 1.00 0.00 H new ATOM 941 N PRO A 63 -19.509 -2.403 -11.162 1.00 0.00 N ATOM 942 CA PRO A 63 -20.947 -2.156 -11.306 1.00 0.00 C ATOM 943 C PRO A 63 -21.380 -2.094 -12.767 1.00 0.00 C ATOM 944 O PRO A 63 -22.205 -1.262 -13.144 1.00 0.00 O ATOM 945 CB PRO A 63 -21.143 -0.796 -10.632 1.00 0.00 C ATOM 946 CG PRO A 63 -19.816 -0.127 -10.736 1.00 0.00 C ATOM 947 CD PRO A 63 -18.791 -1.223 -10.649 1.00 0.00 C ATOM 0 HA PRO A 63 -21.544 -2.955 -10.866 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -21.919 -0.215 -11.130 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -21.448 -0.910 -9.592 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -19.726 0.417 -11.676 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.681 0.598 -9.934 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.909 -0.997 -11.249 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.450 -1.374 -9.625 1.00 0.00 H new ATOM 955 N ALA A 64 -20.820 -2.980 -13.584 1.00 0.00 N ATOM 956 CA ALA A 64 -21.151 -3.027 -15.002 1.00 0.00 C ATOM 957 C ALA A 64 -21.379 -4.462 -15.465 1.00 0.00 C ATOM 958 O ALA A 64 -22.269 -4.731 -16.272 1.00 0.00 O ATOM 959 CB ALA A 64 -20.049 -2.374 -15.824 1.00 0.00 C ATOM 0 H ALA A 64 -20.135 -3.675 -13.288 1.00 0.00 H new ATOM 0 HA ALA A 64 -22.077 -2.473 -15.152 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.310 -2.417 -16.881 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.936 -1.333 -15.520 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.111 -2.904 -15.660 1.00 0.00 H new ATOM 965 N PHE A 65 -20.568 -5.381 -14.951 1.00 0.00 N ATOM 966 CA PHE A 65 -20.680 -6.789 -15.313 1.00 0.00 C ATOM 967 C PHE A 65 -20.838 -7.659 -14.070 1.00 0.00 C ATOM 968 O PHE A 65 -21.342 -8.779 -14.143 1.00 0.00 O ATOM 969 CB PHE A 65 -19.449 -7.232 -16.108 1.00 0.00 C ATOM 970 CG PHE A 65 -18.388 -6.175 -16.209 1.00 0.00 C ATOM 971 CD1 PHE A 65 -18.586 -5.048 -16.991 1.00 0.00 C ATOM 972 CD2 PHE A 65 -17.192 -6.307 -15.522 1.00 0.00 C ATOM 973 CE1 PHE A 65 -17.611 -4.073 -17.086 1.00 0.00 C ATOM 974 CE2 PHE A 65 -16.214 -5.335 -15.613 1.00 0.00 C ATOM 975 CZ PHE A 65 -16.423 -4.217 -16.397 1.00 0.00 C ATOM 0 H PHE A 65 -19.826 -5.176 -14.282 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.568 -6.910 -15.934 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -19.023 -8.119 -15.639 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -19.760 -7.521 -17.112 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -19.513 -4.930 -17.532 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -17.022 -7.179 -14.908 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -17.778 -3.199 -17.699 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -15.287 -5.449 -15.071 1.00 0.00 H new ATOM 0 HZ PHE A 65 -15.659 -3.457 -16.471 1.00 0.00 H new ATOM 985 N GLY A 66 -20.401 -7.136 -12.929 1.00 0.00 N ATOM 986 CA GLY A 66 -20.502 -7.878 -11.686 1.00 0.00 C ATOM 987 C GLY A 66 -19.296 -7.675 -10.790 1.00 0.00 C ATOM 988 O GLY A 66 -18.938 -6.543 -10.464 1.00 0.00 O ATOM 0 H GLY A 66 -19.979 -6.212 -12.843 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.402 -7.569 -11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.611 -8.940 -11.908 1.00 0.00 H new ATOM 992 N THR A 67 -18.667 -8.776 -10.389 1.00 0.00 N ATOM 993 CA THR A 67 -17.496 -8.714 -9.523 1.00 0.00 C ATOM 994 C THR A 67 -16.341 -9.522 -10.103 1.00 0.00 C ATOM 995 O THR A 67 -16.475 -10.718 -10.362 1.00 0.00 O ATOM 996 CB THR A 67 -17.815 -9.237 -8.109 1.00 0.00 C ATOM 997 OG1 THR A 67 -19.099 -8.764 -7.690 1.00 0.00 O ATOM 998 CG2 THR A 67 -16.754 -8.789 -7.115 1.00 0.00 C ATOM 0 H THR A 67 -18.949 -9.721 -10.650 1.00 0.00 H new ATOM 0 HA THR A 67 -17.206 -7.665 -9.457 1.00 0.00 H new ATOM 0 HB THR A 67 -17.823 -10.326 -8.141 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.295 -9.102 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 67 -17.000 -9.170 -6.124 1.00 0.00 H new ATOM 0 HG22 THR A 67 -15.782 -9.176 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 67 -16.719 -7.700 -7.087 1.00 0.00 H new ATOM 1006 N TYR A 68 -15.206 -8.861 -10.303 1.00 0.00 N ATOM 1007 CA TYR A 68 -14.026 -9.518 -10.854 1.00 0.00 C ATOM 1008 C TYR A 68 -13.070 -9.941 -9.743 1.00 0.00 C ATOM 1009 O TYR A 68 -12.694 -9.136 -8.891 1.00 0.00 O ATOM 1010 CB TYR A 68 -13.309 -8.587 -11.833 1.00 0.00 C ATOM 1011 CG TYR A 68 -13.501 -8.969 -13.283 1.00 0.00 C ATOM 1012 CD1 TYR A 68 -13.204 -10.251 -13.730 1.00 0.00 C ATOM 1013 CD2 TYR A 68 -13.980 -8.049 -14.207 1.00 0.00 C ATOM 1014 CE1 TYR A 68 -13.377 -10.604 -15.054 1.00 0.00 C ATOM 1015 CE2 TYR A 68 -14.158 -8.394 -15.533 1.00 0.00 C ATOM 1016 CZ TYR A 68 -13.854 -9.672 -15.951 1.00 0.00 C ATOM 1017 OH TYR A 68 -14.030 -10.021 -17.271 1.00 0.00 O ATOM 0 H TYR A 68 -15.078 -7.871 -10.092 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.353 -10.411 -11.386 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -13.669 -7.569 -11.683 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -12.243 -8.585 -11.605 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.831 -10.984 -13.030 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.217 -7.046 -13.883 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.140 -11.604 -15.385 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.533 -7.667 -16.238 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.343 -9.242 -17.776 1.00 0.00 H new ATOM 1027 N VAL A 69 -12.678 -11.211 -9.761 1.00 0.00 N ATOM 1028 CA VAL A 69 -11.763 -11.743 -8.758 1.00 0.00 C ATOM 1029 C VAL A 69 -10.603 -12.486 -9.411 1.00 0.00 C ATOM 1030 O VAL A 69 -10.788 -13.209 -10.390 1.00 0.00 O ATOM 1031 CB VAL A 69 -12.487 -12.695 -7.787 1.00 0.00 C ATOM 1032 CG1 VAL A 69 -11.797 -12.702 -6.432 1.00 0.00 C ATOM 1033 CG2 VAL A 69 -13.950 -12.302 -7.648 1.00 0.00 C ATOM 0 H VAL A 69 -12.980 -11.891 -10.459 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.376 -10.891 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.443 -13.705 -8.195 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.323 -13.380 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.766 -13.035 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.807 -11.696 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.446 -12.985 -6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -14.018 -11.285 -7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -14.435 -12.355 -8.623 1.00 0.00 H new ATOM 1043 N ILE A 70 -9.407 -12.304 -8.861 1.00 0.00 N ATOM 1044 CA ILE A 70 -8.217 -12.959 -9.389 1.00 0.00 C ATOM 1045 C ILE A 70 -7.267 -13.361 -8.266 1.00 0.00 C ATOM 1046 O ILE A 70 -6.727 -12.509 -7.561 1.00 0.00 O ATOM 1047 CB ILE A 70 -7.466 -12.049 -10.380 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -8.460 -11.266 -11.240 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -6.535 -12.874 -11.255 1.00 0.00 C ATOM 1050 CD1 ILE A 70 -8.858 -9.934 -10.643 1.00 0.00 C ATOM 0 H ILE A 70 -9.237 -11.709 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.555 -13.853 -9.913 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.865 -11.338 -9.814 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.023 -11.098 -12.224 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.355 -11.871 -11.388 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.012 -12.217 -11.950 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.809 -13.391 -10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.116 -13.606 -11.816 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.564 -9.434 -11.306 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.325 -10.096 -9.671 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.972 -9.311 -10.521 1.00 0.00 H new ATOM 1062 N ASN A 71 -7.066 -14.665 -8.107 1.00 0.00 N ATOM 1063 CA ASN A 71 -6.179 -15.181 -7.070 1.00 0.00 C ATOM 1064 C ASN A 71 -5.017 -15.955 -7.684 1.00 0.00 C ATOM 1065 O ASN A 71 -5.107 -16.443 -8.811 1.00 0.00 O ATOM 1066 CB ASN A 71 -6.956 -16.083 -6.108 1.00 0.00 C ATOM 1067 CG ASN A 71 -6.045 -16.987 -5.301 1.00 0.00 C ATOM 1068 OD1 ASN A 71 -5.972 -18.192 -5.545 1.00 0.00 O ATOM 1069 ND2 ASN A 71 -5.343 -16.409 -4.333 1.00 0.00 N ATOM 0 H ASN A 71 -7.505 -15.384 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.775 -14.333 -6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.544 -15.465 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.660 -16.693 -6.674 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.713 -16.967 -3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.434 -15.407 -4.165 1.00 0.00 H new ATOM 1076 N LYS A 72 -3.925 -16.064 -6.935 1.00 0.00 N ATOM 1077 CA LYS A 72 -2.744 -16.779 -7.402 1.00 0.00 C ATOM 1078 C LYS A 72 -2.189 -17.687 -6.309 1.00 0.00 C ATOM 1079 O LYS A 72 -0.988 -17.952 -6.261 1.00 0.00 O ATOM 1080 CB LYS A 72 -1.667 -15.790 -7.853 1.00 0.00 C ATOM 1081 CG LYS A 72 -0.507 -16.443 -8.583 1.00 0.00 C ATOM 1082 CD LYS A 72 -0.992 -17.442 -9.621 1.00 0.00 C ATOM 1083 CE LYS A 72 -1.005 -18.859 -9.068 1.00 0.00 C ATOM 1084 NZ LYS A 72 0.336 -19.272 -8.570 1.00 0.00 N ATOM 0 H LYS A 72 -3.834 -15.665 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.038 -17.398 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.121 -15.044 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.284 -15.260 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.096 -15.676 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.138 -16.948 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.995 -17.169 -9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.347 -17.399 -10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.730 -18.926 -8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.332 -19.549 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.302 -20.265 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.036 -19.168 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.608 -18.671 -7.766 1.00 0.00 H new ATOM 1098 N GLN A 73 -3.071 -18.161 -5.435 1.00 0.00 N ATOM 1099 CA GLN A 73 -2.668 -19.039 -4.344 1.00 0.00 C ATOM 1100 C GLN A 73 -3.767 -20.047 -4.022 1.00 0.00 C ATOM 1101 O GLN A 73 -4.047 -20.348 -2.862 1.00 0.00 O ATOM 1102 CB GLN A 73 -2.333 -18.218 -3.097 1.00 0.00 C ATOM 1103 CG GLN A 73 -0.929 -18.463 -2.567 1.00 0.00 C ATOM 1104 CD GLN A 73 -0.667 -17.747 -1.257 1.00 0.00 C ATOM 1105 OE1 GLN A 73 -1.531 -17.036 -0.741 1.00 0.00 O ATOM 1106 NE2 GLN A 73 0.529 -17.931 -0.710 1.00 0.00 N ATOM 0 H GLN A 73 -4.069 -17.952 -5.462 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.780 -19.585 -4.661 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.445 -17.159 -3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.054 -18.452 -2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.779 -19.534 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.202 -18.133 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.215 -18.528 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.762 -17.475 0.172 1.00 0.00 H new ATOM 1115 N PRO A 74 -4.406 -20.582 -5.073 1.00 0.00 N ATOM 1116 CA PRO A 74 -5.484 -21.565 -4.928 1.00 0.00 C ATOM 1117 C PRO A 74 -4.976 -22.912 -4.426 1.00 0.00 C ATOM 1118 O PRO A 74 -3.776 -23.186 -4.417 1.00 0.00 O ATOM 1119 CB PRO A 74 -6.037 -21.697 -6.349 1.00 0.00 C ATOM 1120 CG PRO A 74 -4.901 -21.316 -7.235 1.00 0.00 C ATOM 1121 CD PRO A 74 -4.124 -20.269 -6.485 1.00 0.00 C ATOM 0 HA PRO A 74 -6.227 -21.251 -4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.372 -22.714 -6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.895 -21.043 -6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.275 -22.180 -7.460 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.262 -20.927 -8.187 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.058 -20.326 -6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.450 -19.262 -6.746 1.00 0.00 H new ATOM 1129 N PRO A 75 -5.910 -23.775 -3.999 1.00 0.00 N ATOM 1130 CA PRO A 75 -5.580 -25.110 -3.489 1.00 0.00 C ATOM 1131 C PRO A 75 -5.079 -26.043 -4.586 1.00 0.00 C ATOM 1132 O PRO A 75 -5.677 -27.085 -4.847 1.00 0.00 O ATOM 1133 CB PRO A 75 -6.911 -25.613 -2.925 1.00 0.00 C ATOM 1134 CG PRO A 75 -7.951 -24.866 -3.687 1.00 0.00 C ATOM 1135 CD PRO A 75 -7.359 -23.516 -3.982 1.00 0.00 C ATOM 0 HA PRO A 75 -4.775 -25.078 -2.755 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.017 -26.689 -3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.987 -25.418 -1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.210 -25.388 -4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -8.868 -24.771 -3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.708 -23.124 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.627 -22.784 -3.220 1.00 0.00 H new ATOM 1143 N ASN A 76 -3.978 -25.660 -5.225 1.00 0.00 N ATOM 1144 CA ASN A 76 -3.398 -26.463 -6.295 1.00 0.00 C ATOM 1145 C ASN A 76 -2.507 -25.611 -7.193 1.00 0.00 C ATOM 1146 O ASN A 76 -2.453 -25.813 -8.406 1.00 0.00 O ATOM 1147 CB ASN A 76 -4.502 -27.118 -7.126 1.00 0.00 C ATOM 1148 CG ASN A 76 -4.759 -28.556 -6.718 1.00 0.00 C ATOM 1149 OD1 ASN A 76 -3.852 -29.256 -6.268 1.00 0.00 O ATOM 1150 ND2 ASN A 76 -5.999 -29.003 -6.874 1.00 0.00 N ATOM 0 H ASN A 76 -3.470 -24.799 -5.020 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.786 -27.241 -5.840 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.422 -26.543 -7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.226 -27.086 -8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.231 -29.962 -6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.719 -28.387 -7.251 1.00 0.00 H new ATOM 1157 N LYS A 77 -1.808 -24.656 -6.589 1.00 0.00 N ATOM 1158 CA LYS A 77 -0.917 -23.772 -7.332 1.00 0.00 C ATOM 1159 C LYS A 77 -1.471 -23.486 -8.723 1.00 0.00 C ATOM 1160 O LYS A 77 -1.158 -24.191 -9.682 1.00 0.00 O ATOM 1161 CB LYS A 77 0.476 -24.396 -7.444 1.00 0.00 C ATOM 1162 CG LYS A 77 1.271 -23.897 -8.638 1.00 0.00 C ATOM 1163 CD LYS A 77 1.329 -24.937 -9.744 1.00 0.00 C ATOM 1164 CE LYS A 77 2.656 -25.680 -9.742 1.00 0.00 C ATOM 1165 NZ LYS A 77 2.724 -26.691 -8.651 1.00 0.00 N ATOM 0 H LYS A 77 -1.841 -24.474 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.844 -22.830 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.034 -24.184 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.375 -25.479 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.818 -22.982 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.283 -23.644 -8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.513 -25.648 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.184 -24.452 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.797 -26.173 -10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.472 -24.966 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.644 -27.176 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.615 -26.217 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.961 -27.387 -8.775 1.00 0.00 H new ATOM 1179 N GLN A 78 -2.295 -22.447 -8.825 1.00 0.00 N ATOM 1180 CA GLN A 78 -2.891 -22.068 -10.101 1.00 0.00 C ATOM 1181 C GLN A 78 -3.473 -20.660 -10.033 1.00 0.00 C ATOM 1182 O GLN A 78 -3.459 -20.023 -8.979 1.00 0.00 O ATOM 1183 CB GLN A 78 -3.982 -23.066 -10.494 1.00 0.00 C ATOM 1184 CG GLN A 78 -3.499 -24.156 -11.436 1.00 0.00 C ATOM 1185 CD GLN A 78 -3.387 -25.507 -10.758 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -4.336 -25.982 -10.133 1.00 0.00 O ATOM 1187 NE2 GLN A 78 -2.222 -26.134 -10.877 1.00 0.00 N ATOM 0 H GLN A 78 -2.565 -21.854 -8.040 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.107 -22.081 -10.858 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.382 -23.528 -9.592 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.803 -22.527 -10.966 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.186 -24.233 -12.279 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.527 -23.876 -11.841 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.463 -25.703 -11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.087 -27.046 -10.441 1.00 0.00 H new ATOM 1196 N ILE A 79 -3.984 -20.181 -11.162 1.00 0.00 N ATOM 1197 CA ILE A 79 -4.572 -18.849 -11.229 1.00 0.00 C ATOM 1198 C ILE A 79 -6.095 -18.920 -11.231 1.00 0.00 C ATOM 1199 O ILE A 79 -6.702 -19.424 -12.176 1.00 0.00 O ATOM 1200 CB ILE A 79 -4.102 -18.090 -12.484 1.00 0.00 C ATOM 1201 CG1 ILE A 79 -2.952 -17.144 -12.134 1.00 0.00 C ATOM 1202 CG2 ILE A 79 -5.260 -17.319 -13.101 1.00 0.00 C ATOM 1203 CD1 ILE A 79 -2.533 -16.251 -13.281 1.00 0.00 C ATOM 0 H ILE A 79 -4.003 -20.695 -12.043 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.238 -18.311 -10.342 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.742 -18.814 -13.215 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.248 -16.522 -11.289 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.094 -17.733 -11.810 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.912 -16.788 -13.987 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.051 -18.014 -13.382 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.647 -16.602 -12.377 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.714 -15.608 -12.961 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.205 -16.865 -14.120 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.378 -15.636 -13.590 1.00 0.00 H new ATOM 1215 N TRP A 80 -6.706 -18.409 -10.169 1.00 0.00 N ATOM 1216 CA TRP A 80 -8.160 -18.412 -10.049 1.00 0.00 C ATOM 1217 C TRP A 80 -8.755 -17.122 -10.602 1.00 0.00 C ATOM 1218 O TRP A 80 -8.507 -16.036 -10.075 1.00 0.00 O ATOM 1219 CB TRP A 80 -8.571 -18.592 -8.586 1.00 0.00 C ATOM 1220 CG TRP A 80 -8.840 -20.019 -8.216 1.00 0.00 C ATOM 1221 CD1 TRP A 80 -8.059 -21.102 -8.504 1.00 0.00 C ATOM 1222 CD2 TRP A 80 -9.970 -20.518 -7.492 1.00 0.00 C ATOM 1223 NE1 TRP A 80 -8.635 -22.244 -8.002 1.00 0.00 N ATOM 1224 CE2 TRP A 80 -9.807 -21.912 -7.376 1.00 0.00 C ATOM 1225 CE3 TRP A 80 -11.101 -19.923 -6.928 1.00 0.00 C ATOM 1226 CZ2 TRP A 80 -10.735 -22.718 -6.720 1.00 0.00 C ATOM 1227 CZ3 TRP A 80 -12.021 -20.723 -6.278 1.00 0.00 C ATOM 1228 CH2 TRP A 80 -11.834 -22.108 -6.178 1.00 0.00 C ATOM 0 H TRP A 80 -6.218 -17.987 -9.379 1.00 0.00 H new ATOM 0 HA TRP A 80 -8.546 -19.247 -10.633 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -7.782 -18.200 -7.944 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.465 -17.999 -8.392 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -7.126 -21.066 -9.047 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -8.252 -23.186 -8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -11.254 -18.856 -6.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -10.592 -23.786 -6.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -12.899 -20.273 -5.839 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -12.571 -22.706 -5.663 1.00 0.00 H new ATOM 1239 N LEU A 81 -9.540 -17.246 -11.666 1.00 0.00 N ATOM 1240 CA LEU A 81 -10.171 -16.088 -12.291 1.00 0.00 C ATOM 1241 C LEU A 81 -11.687 -16.143 -12.132 1.00 0.00 C ATOM 1242 O LEU A 81 -12.369 -16.885 -12.838 1.00 0.00 O ATOM 1243 CB LEU A 81 -9.804 -16.022 -13.774 1.00 0.00 C ATOM 1244 CG LEU A 81 -9.728 -14.622 -14.385 1.00 0.00 C ATOM 1245 CD1 LEU A 81 -11.122 -14.096 -14.690 1.00 0.00 C ATOM 1246 CD2 LEU A 81 -8.990 -13.672 -13.452 1.00 0.00 C ATOM 0 H LEU A 81 -9.755 -18.137 -12.114 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.804 -15.191 -11.792 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.839 -16.509 -13.911 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.536 -16.602 -14.335 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.173 -14.685 -15.321 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.048 -13.099 -15.124 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.616 -14.763 -15.396 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.703 -14.048 -13.769 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.945 -12.681 -13.903 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.518 -13.614 -12.500 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.978 -14.040 -13.284 1.00 0.00 H new ATOM 1258 N ALA A 82 -12.208 -15.350 -11.201 1.00 0.00 N ATOM 1259 CA ALA A 82 -13.644 -15.304 -10.953 1.00 0.00 C ATOM 1260 C ALA A 82 -14.306 -14.197 -11.765 1.00 0.00 C ATOM 1261 O ALA A 82 -14.323 -13.037 -11.353 1.00 0.00 O ATOM 1262 CB ALA A 82 -13.917 -15.109 -9.469 1.00 0.00 C ATOM 0 H ALA A 82 -11.657 -14.731 -10.606 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.073 -16.255 -11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.993 -15.076 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.485 -15.938 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.468 -14.173 -9.136 1.00 0.00 H new ATOM 1268 N SER A 83 -14.851 -14.562 -12.922 1.00 0.00 N ATOM 1269 CA SER A 83 -15.511 -13.598 -13.794 1.00 0.00 C ATOM 1270 C SER A 83 -16.563 -12.802 -13.026 1.00 0.00 C ATOM 1271 O SER A 83 -16.912 -13.121 -11.890 1.00 0.00 O ATOM 1272 CB SER A 83 -16.162 -14.313 -14.980 1.00 0.00 C ATOM 1273 OG SER A 83 -15.508 -13.987 -16.193 1.00 0.00 O ATOM 0 H SER A 83 -14.848 -15.518 -13.277 1.00 0.00 H new ATOM 0 HA SER A 83 -14.756 -12.906 -14.166 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.127 -15.391 -14.823 1.00 0.00 H new ATOM 0 HB3 SER A 83 -17.214 -14.034 -15.044 1.00 0.00 H new ATOM 0 HG SER A 83 -15.942 -14.458 -16.935 1.00 0.00 H new ATOM 1279 N PRO A 84 -17.080 -11.741 -13.662 1.00 0.00 N ATOM 1280 CA PRO A 84 -18.100 -10.877 -13.059 1.00 0.00 C ATOM 1281 C PRO A 84 -19.448 -11.577 -12.925 1.00 0.00 C ATOM 1282 O PRO A 84 -20.357 -11.074 -12.264 1.00 0.00 O ATOM 1283 CB PRO A 84 -18.200 -9.707 -14.042 1.00 0.00 C ATOM 1284 CG PRO A 84 -17.754 -10.270 -15.347 1.00 0.00 C ATOM 1285 CD PRO A 84 -16.711 -11.302 -15.018 1.00 0.00 C ATOM 0 HA PRO A 84 -17.833 -10.578 -12.045 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -19.220 -9.327 -14.103 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.567 -8.875 -13.733 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -18.590 -10.718 -15.885 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.343 -9.490 -15.988 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.728 -12.130 -15.727 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.706 -10.880 -15.044 1.00 0.00 H new ATOM 1293 N LEU A 85 -19.570 -12.739 -13.556 1.00 0.00 N ATOM 1294 CA LEU A 85 -20.808 -13.510 -13.507 1.00 0.00 C ATOM 1295 C LEU A 85 -20.539 -14.990 -13.760 1.00 0.00 C ATOM 1296 O LEU A 85 -21.145 -15.857 -13.131 1.00 0.00 O ATOM 1297 CB LEU A 85 -21.805 -12.977 -14.539 1.00 0.00 C ATOM 1298 CG LEU A 85 -23.146 -12.491 -13.988 1.00 0.00 C ATOM 1299 CD1 LEU A 85 -23.228 -10.974 -14.044 1.00 0.00 C ATOM 1300 CD2 LEU A 85 -24.298 -13.118 -14.760 1.00 0.00 C ATOM 0 H LEU A 85 -18.827 -13.169 -14.108 1.00 0.00 H new ATOM 0 HA LEU A 85 -21.234 -13.403 -12.510 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -21.336 -12.153 -15.076 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -21.998 -13.764 -15.268 1.00 0.00 H new ATOM 0 HG LEU A 85 -23.222 -12.800 -12.945 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -24.189 -10.647 -13.648 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -22.424 -10.544 -13.447 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -23.130 -10.642 -15.078 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -25.245 -12.761 -14.354 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -24.226 -12.840 -15.811 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -24.250 -14.203 -14.668 1.00 0.00 H new ATOM 1312 N SER A 86 -19.625 -15.270 -14.684 1.00 0.00 N ATOM 1313 CA SER A 86 -19.276 -16.645 -15.021 1.00 0.00 C ATOM 1314 C SER A 86 -18.897 -17.432 -13.770 1.00 0.00 C ATOM 1315 O SER A 86 -19.673 -18.252 -13.279 1.00 0.00 O ATOM 1316 CB SER A 86 -18.120 -16.670 -16.022 1.00 0.00 C ATOM 1317 OG SER A 86 -18.514 -17.275 -17.241 1.00 0.00 O ATOM 0 H SER A 86 -19.113 -14.563 -15.212 1.00 0.00 H new ATOM 0 HA SER A 86 -20.149 -17.114 -15.474 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.777 -15.653 -16.211 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.278 -17.216 -15.597 1.00 0.00 H new ATOM 0 HG SER A 86 -17.758 -17.277 -17.865 1.00 0.00 H new ATOM 1323 N GLY A 87 -17.697 -17.176 -13.258 1.00 0.00 N ATOM 1324 CA GLY A 87 -17.235 -17.867 -12.069 1.00 0.00 C ATOM 1325 C GLY A 87 -15.725 -18.000 -12.025 1.00 0.00 C ATOM 1326 O GLY A 87 -15.008 -17.452 -12.863 1.00 0.00 O ATOM 0 H GLY A 87 -17.037 -16.502 -13.646 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.575 -17.329 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.685 -18.859 -12.031 1.00 0.00 H new ATOM 1330 N PRO A 88 -15.221 -18.741 -11.027 1.00 0.00 N ATOM 1331 CA PRO A 88 -13.782 -18.960 -10.853 1.00 0.00 C ATOM 1332 C PRO A 88 -13.195 -19.850 -11.942 1.00 0.00 C ATOM 1333 O PRO A 88 -13.770 -20.880 -12.292 1.00 0.00 O ATOM 1334 CB PRO A 88 -13.691 -19.651 -9.490 1.00 0.00 C ATOM 1335 CG PRO A 88 -15.014 -20.312 -9.312 1.00 0.00 C ATOM 1336 CD PRO A 88 -16.017 -19.423 -9.993 1.00 0.00 C ATOM 0 HA PRO A 88 -13.218 -18.029 -10.913 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.879 -20.378 -9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -13.497 -18.932 -8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.014 -21.309 -9.752 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -15.252 -20.430 -8.255 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -16.834 -19.999 -10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -16.464 -18.713 -9.296 1.00 0.00 H new ATOM 1344 N ASN A 89 -12.046 -19.447 -12.475 1.00 0.00 N ATOM 1345 CA ASN A 89 -11.381 -20.209 -13.525 1.00 0.00 C ATOM 1346 C ASN A 89 -9.993 -20.658 -13.076 1.00 0.00 C ATOM 1347 O ASN A 89 -9.105 -19.835 -12.856 1.00 0.00 O ATOM 1348 CB ASN A 89 -11.270 -19.371 -14.800 1.00 0.00 C ATOM 1349 CG ASN A 89 -12.245 -19.819 -15.873 1.00 0.00 C ATOM 1350 OD1 ASN A 89 -13.407 -20.108 -15.589 1.00 0.00 O ATOM 1351 ND2 ASN A 89 -11.774 -19.878 -17.113 1.00 0.00 N ATOM 0 H ASN A 89 -11.556 -18.597 -12.197 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.981 -21.095 -13.732 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -11.454 -18.324 -14.560 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.253 -19.436 -15.187 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.383 -20.172 -17.876 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.803 -19.629 -17.302 1.00 0.00 H new ATOM 1358 N ARG A 90 -9.815 -21.968 -12.944 1.00 0.00 N ATOM 1359 CA ARG A 90 -8.537 -22.527 -12.521 1.00 0.00 C ATOM 1360 C ARG A 90 -7.573 -22.634 -13.700 1.00 0.00 C ATOM 1361 O ARG A 90 -7.741 -23.481 -14.577 1.00 0.00 O ATOM 1362 CB ARG A 90 -8.742 -23.905 -11.890 1.00 0.00 C ATOM 1363 CG ARG A 90 -9.705 -23.899 -10.714 1.00 0.00 C ATOM 1364 CD ARG A 90 -10.902 -24.801 -10.971 1.00 0.00 C ATOM 1365 NE ARG A 90 -11.357 -25.467 -9.753 1.00 0.00 N ATOM 1366 CZ ARG A 90 -12.447 -26.224 -9.692 1.00 0.00 C ATOM 1367 NH1 ARG A 90 -13.189 -26.412 -10.775 1.00 0.00 N ATOM 1368 NH2 ARG A 90 -12.796 -26.796 -8.547 1.00 0.00 N ATOM 0 H ARG A 90 -10.540 -22.662 -13.124 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.104 -21.856 -11.779 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.114 -24.592 -12.650 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.778 -24.290 -11.557 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.185 -24.229 -9.815 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.048 -22.881 -10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.718 -24.211 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.638 -25.551 -11.717 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.808 -25.344 -8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.923 -25.975 -11.657 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.025 -26.994 -10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.227 -26.655 -7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.633 -27.377 -8.501 1.00 0.00 H new ATOM 1382 N PHE A 91 -6.566 -21.768 -13.714 1.00 0.00 N ATOM 1383 CA PHE A 91 -5.576 -21.763 -14.785 1.00 0.00 C ATOM 1384 C PHE A 91 -4.305 -22.489 -14.355 1.00 0.00 C ATOM 1385 O PHE A 91 -3.821 -22.306 -13.238 1.00 0.00 O ATOM 1386 CB PHE A 91 -5.244 -20.327 -15.195 1.00 0.00 C ATOM 1387 CG PHE A 91 -6.286 -19.697 -16.074 1.00 0.00 C ATOM 1388 CD1 PHE A 91 -7.367 -19.031 -15.520 1.00 0.00 C ATOM 1389 CD2 PHE A 91 -6.185 -19.772 -17.454 1.00 0.00 C ATOM 1390 CE1 PHE A 91 -8.328 -18.450 -16.326 1.00 0.00 C ATOM 1391 CE2 PHE A 91 -7.142 -19.193 -18.265 1.00 0.00 C ATOM 1392 CZ PHE A 91 -8.216 -18.532 -17.700 1.00 0.00 C ATOM 0 H PHE A 91 -6.413 -21.060 -12.996 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.001 -22.288 -15.641 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.123 -19.721 -14.297 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.287 -20.319 -15.717 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.460 -18.965 -14.446 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.349 -20.289 -17.901 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.165 -17.933 -15.882 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.051 -19.257 -19.339 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.966 -18.080 -18.332 1.00 0.00 H new ATOM 1402 N ASP A 92 -3.770 -23.313 -15.249 1.00 0.00 N ATOM 1403 CA ASP A 92 -2.555 -24.067 -14.963 1.00 0.00 C ATOM 1404 C ASP A 92 -1.338 -23.394 -15.591 1.00 0.00 C ATOM 1405 O ASP A 92 -1.452 -22.699 -16.602 1.00 0.00 O ATOM 1406 CB ASP A 92 -2.685 -25.500 -15.481 1.00 0.00 C ATOM 1407 CG ASP A 92 -1.862 -26.484 -14.673 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.273 -26.068 -13.654 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -1.807 -27.670 -15.060 1.00 0.00 O ATOM 0 H ASP A 92 -4.159 -23.476 -16.178 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.417 -24.091 -13.882 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.733 -25.799 -15.455 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.369 -25.537 -16.524 1.00 0.00 H new ATOM 1414 N LEU A 93 -0.174 -23.605 -14.987 1.00 0.00 N ATOM 1415 CA LEU A 93 1.065 -23.018 -15.485 1.00 0.00 C ATOM 1416 C LEU A 93 1.506 -23.696 -16.779 1.00 0.00 C ATOM 1417 O LEU A 93 2.088 -24.782 -16.756 1.00 0.00 O ATOM 1418 CB LEU A 93 2.168 -23.135 -14.432 1.00 0.00 C ATOM 1419 CG LEU A 93 2.875 -21.834 -14.054 1.00 0.00 C ATOM 1420 CD1 LEU A 93 4.168 -22.126 -13.308 1.00 0.00 C ATOM 1421 CD2 LEU A 93 3.151 -20.996 -15.294 1.00 0.00 C ATOM 0 H LEU A 93 -0.062 -24.179 -14.151 1.00 0.00 H new ATOM 0 HA LEU A 93 0.881 -21.964 -15.693 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.736 -23.566 -13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.916 -23.839 -14.795 1.00 0.00 H new ATOM 0 HG LEU A 93 2.219 -21.266 -13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.657 -21.188 -13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.945 -22.684 -12.399 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.829 -22.716 -13.943 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.655 -20.074 -15.005 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.787 -21.558 -15.979 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.209 -20.756 -15.788 1.00 0.00 H new ATOM 1433 N LEU A 94 1.228 -23.048 -17.905 1.00 0.00 N ATOM 1434 CA LEU A 94 1.598 -23.587 -19.209 1.00 0.00 C ATOM 1435 C LEU A 94 2.392 -22.565 -20.015 1.00 0.00 C ATOM 1436 O LEU A 94 1.932 -21.447 -20.242 1.00 0.00 O ATOM 1437 CB LEU A 94 0.347 -24.005 -19.984 1.00 0.00 C ATOM 1438 CG LEU A 94 0.358 -25.420 -20.563 1.00 0.00 C ATOM 1439 CD1 LEU A 94 -0.219 -26.411 -19.564 1.00 0.00 C ATOM 1440 CD2 LEU A 94 -0.417 -25.466 -21.872 1.00 0.00 C ATOM 0 H LEU A 94 0.748 -22.149 -17.941 1.00 0.00 H new ATOM 0 HA LEU A 94 2.227 -24.463 -19.048 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.514 -23.911 -19.322 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.198 -23.300 -20.802 1.00 0.00 H new ATOM 0 HG LEU A 94 1.391 -25.701 -20.765 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.203 -27.412 -19.994 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.378 -26.398 -18.652 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.247 -26.134 -19.329 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.399 -26.481 -22.270 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.449 -25.164 -21.694 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.041 -24.786 -22.590 1.00 0.00 H new ATOM 1452 N ASN A 95 3.586 -22.957 -20.447 1.00 0.00 N ATOM 1453 CA ASN A 95 4.444 -22.075 -21.230 1.00 0.00 C ATOM 1454 C ASN A 95 4.751 -20.793 -20.463 1.00 0.00 C ATOM 1455 O ASN A 95 4.706 -19.697 -21.021 1.00 0.00 O ATOM 1456 CB ASN A 95 3.779 -21.737 -22.566 1.00 0.00 C ATOM 1457 CG ASN A 95 3.154 -22.952 -23.224 1.00 0.00 C ATOM 1458 OD1 ASN A 95 2.131 -23.462 -22.767 1.00 0.00 O ATOM 1459 ND2 ASN A 95 3.768 -23.421 -24.304 1.00 0.00 N ATOM 0 H ASN A 95 3.982 -23.880 -20.268 1.00 0.00 H new ATOM 0 HA ASN A 95 5.382 -22.596 -21.420 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.012 -20.979 -22.406 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.520 -21.304 -23.238 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.394 -24.236 -24.790 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.614 -22.966 -24.648 1.00 0.00 H new ATOM 1466 N GLY A 96 5.063 -20.938 -19.178 1.00 0.00 N ATOM 1467 CA GLY A 96 5.373 -19.784 -18.355 1.00 0.00 C ATOM 1468 C GLY A 96 4.174 -18.880 -18.149 1.00 0.00 C ATOM 1469 O GLY A 96 4.279 -17.835 -17.508 1.00 0.00 O ATOM 0 H GLY A 96 5.106 -21.834 -18.693 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.741 -20.121 -17.386 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.177 -19.215 -18.821 1.00 0.00 H new ATOM 1473 N GLU A 97 3.030 -19.282 -18.696 1.00 0.00 N ATOM 1474 CA GLU A 97 1.807 -18.498 -18.570 1.00 0.00 C ATOM 1475 C GLU A 97 0.643 -19.376 -18.119 1.00 0.00 C ATOM 1476 O GLU A 97 0.531 -20.533 -18.523 1.00 0.00 O ATOM 1477 CB GLU A 97 1.467 -17.826 -19.901 1.00 0.00 C ATOM 1478 CG GLU A 97 -0.005 -17.480 -20.050 1.00 0.00 C ATOM 1479 CD GLU A 97 -0.231 -16.241 -20.894 1.00 0.00 C ATOM 1480 OE1 GLU A 97 0.515 -16.048 -21.876 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -1.154 -15.463 -20.572 1.00 0.00 O ATOM 0 H GLU A 97 2.925 -20.145 -19.230 1.00 0.00 H new ATOM 0 HA GLU A 97 1.974 -17.729 -17.815 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.057 -16.915 -20.000 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.761 -18.486 -20.717 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.528 -18.323 -20.501 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.440 -17.326 -19.062 1.00 0.00 H new ATOM 1488 N TRP A 98 -0.221 -18.816 -17.279 1.00 0.00 N ATOM 1489 CA TRP A 98 -1.376 -19.547 -16.772 1.00 0.00 C ATOM 1490 C TRP A 98 -2.460 -19.660 -17.838 1.00 0.00 C ATOM 1491 O TRP A 98 -3.123 -18.678 -18.169 1.00 0.00 O ATOM 1492 CB TRP A 98 -1.937 -18.856 -15.528 1.00 0.00 C ATOM 1493 CG TRP A 98 -0.880 -18.448 -14.547 1.00 0.00 C ATOM 1494 CD1 TRP A 98 -0.195 -17.267 -14.525 1.00 0.00 C ATOM 1495 CD2 TRP A 98 -0.387 -19.221 -13.448 1.00 0.00 C ATOM 1496 NE1 TRP A 98 0.695 -17.260 -13.478 1.00 0.00 N ATOM 1497 CE2 TRP A 98 0.596 -18.447 -12.801 1.00 0.00 C ATOM 1498 CE3 TRP A 98 -0.681 -20.492 -12.946 1.00 0.00 C ATOM 1499 CZ2 TRP A 98 1.285 -18.903 -11.681 1.00 0.00 C ATOM 1500 CZ3 TRP A 98 0.004 -20.943 -11.834 1.00 0.00 C ATOM 1501 CH2 TRP A 98 0.977 -20.151 -11.211 1.00 0.00 C ATOM 0 H TRP A 98 -0.143 -17.859 -16.935 1.00 0.00 H new ATOM 0 HA TRP A 98 -1.050 -20.552 -16.505 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -2.499 -17.973 -15.834 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -2.641 -19.527 -15.035 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -0.332 -16.458 -15.227 1.00 0.00 H new ATOM 0 HE1 TRP A 98 1.327 -16.495 -13.243 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -1.430 -21.110 -13.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.036 -18.294 -11.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.215 -21.924 -11.438 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.494 -20.533 -10.343 1.00 0.00 H new ATOM 1512 N VAL A 99 -2.635 -20.865 -18.373 1.00 0.00 N ATOM 1513 CA VAL A 99 -3.640 -21.106 -19.401 1.00 0.00 C ATOM 1514 C VAL A 99 -4.589 -22.226 -18.991 1.00 0.00 C ATOM 1515 O VAL A 99 -4.289 -23.009 -18.089 1.00 0.00 O ATOM 1516 CB VAL A 99 -2.988 -21.468 -20.749 1.00 0.00 C ATOM 1517 CG1 VAL A 99 -1.472 -21.394 -20.646 1.00 0.00 C ATOM 1518 CG2 VAL A 99 -3.432 -22.851 -21.200 1.00 0.00 C ATOM 0 H VAL A 99 -2.094 -21.689 -18.111 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.204 -20.180 -19.515 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.313 -20.744 -21.496 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.029 -21.653 -21.608 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.175 -20.382 -20.370 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.124 -22.094 -19.886 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.962 -23.091 -22.154 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.137 -23.589 -20.454 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.516 -22.866 -21.316 1.00 0.00 H new ATOM 1528 N SER A 100 -5.736 -22.298 -19.659 1.00 0.00 N ATOM 1529 CA SER A 100 -6.731 -23.321 -19.361 1.00 0.00 C ATOM 1530 C SER A 100 -6.768 -24.379 -20.460 1.00 0.00 C ATOM 1531 O SER A 100 -6.910 -24.060 -21.641 1.00 0.00 O ATOM 1532 CB SER A 100 -8.114 -22.686 -19.203 1.00 0.00 C ATOM 1533 OG SER A 100 -8.910 -23.419 -18.288 1.00 0.00 O ATOM 0 H SER A 100 -5.999 -21.660 -20.410 1.00 0.00 H new ATOM 0 HA SER A 100 -6.451 -23.804 -18.425 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.008 -21.658 -18.856 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.612 -22.645 -20.172 1.00 0.00 H new ATOM 0 HG SER A 100 -9.788 -22.992 -18.203 1.00 0.00 H new ATOM 1539 N LEU A 101 -6.638 -25.640 -20.063 1.00 0.00 N ATOM 1540 CA LEU A 101 -6.656 -26.747 -21.012 1.00 0.00 C ATOM 1541 C LEU A 101 -8.026 -26.878 -21.670 1.00 0.00 C ATOM 1542 O LEU A 101 -8.143 -27.379 -22.789 1.00 0.00 O ATOM 1543 CB LEU A 101 -6.288 -28.054 -20.309 1.00 0.00 C ATOM 1544 CG LEU A 101 -6.488 -29.334 -21.122 1.00 0.00 C ATOM 1545 CD1 LEU A 101 -5.869 -29.191 -22.503 1.00 0.00 C ATOM 1546 CD2 LEU A 101 -5.895 -30.529 -20.390 1.00 0.00 C ATOM 0 H LEU A 101 -6.519 -25.921 -19.090 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.919 -26.540 -21.788 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.242 -27.999 -20.008 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.879 -28.131 -19.396 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.558 -29.502 -21.242 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -6.021 -30.111 -23.067 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.341 -28.361 -23.029 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.801 -28.998 -22.405 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.047 -31.431 -20.983 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.827 -30.370 -20.238 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.386 -30.644 -19.423 1.00 0.00 H new ATOM 1558 N ARG A 102 -9.059 -26.423 -20.969 1.00 0.00 N ATOM 1559 CA ARG A 102 -10.421 -26.488 -21.485 1.00 0.00 C ATOM 1560 C ARG A 102 -10.450 -26.186 -22.981 1.00 0.00 C ATOM 1561 O ARG A 102 -11.347 -26.631 -23.696 1.00 0.00 O ATOM 1562 CB ARG A 102 -11.320 -25.503 -20.737 1.00 0.00 C ATOM 1563 CG ARG A 102 -12.802 -25.703 -21.009 1.00 0.00 C ATOM 1564 CD ARG A 102 -13.304 -24.757 -22.088 1.00 0.00 C ATOM 1565 NE ARG A 102 -14.734 -24.491 -21.961 1.00 0.00 N ATOM 1566 CZ ARG A 102 -15.270 -23.826 -20.944 1.00 0.00 C ATOM 1567 NH1 ARG A 102 -14.499 -23.361 -19.971 1.00 0.00 N ATOM 1568 NH2 ARG A 102 -16.581 -23.623 -20.900 1.00 0.00 N ATOM 0 H ARG A 102 -8.979 -26.005 -20.042 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.795 -27.500 -21.329 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.139 -25.600 -19.666 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.042 -24.487 -21.016 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -12.981 -26.734 -21.316 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.366 -25.541 -20.091 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.754 -23.818 -22.031 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.101 -25.186 -23.069 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.355 -24.835 -22.693 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.491 -23.514 -20.002 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.914 -22.851 -19.191 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -17.177 -23.978 -21.648 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.992 -23.112 -20.119 1.00 0.00 H new ATOM 1582 N ASN A 103 -9.464 -25.427 -23.445 1.00 0.00 N ATOM 1583 CA ASN A 103 -9.377 -25.065 -24.855 1.00 0.00 C ATOM 1584 C ASN A 103 -8.158 -24.185 -25.118 1.00 0.00 C ATOM 1585 O ASN A 103 -8.166 -23.349 -26.019 1.00 0.00 O ATOM 1586 CB ASN A 103 -10.649 -24.336 -25.295 1.00 0.00 C ATOM 1587 CG ASN A 103 -11.079 -23.273 -24.303 1.00 0.00 C ATOM 1588 OD1 ASN A 103 -10.669 -23.289 -23.143 1.00 0.00 O ATOM 1589 ND2 ASN A 103 -11.909 -22.341 -24.758 1.00 0.00 N ATOM 0 H ASN A 103 -8.714 -25.050 -22.866 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.272 -25.983 -25.433 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.482 -23.874 -26.268 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.454 -25.060 -25.420 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.232 -21.599 -24.137 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -12.223 -22.367 -25.728 1.00 0.00 H new ATOM 1596 N GLY A 104 -7.111 -24.382 -24.322 1.00 0.00 N ATOM 1597 CA GLY A 104 -5.899 -23.601 -24.484 1.00 0.00 C ATOM 1598 C GLY A 104 -6.161 -22.109 -24.441 1.00 0.00 C ATOM 1599 O GLY A 104 -5.871 -21.391 -25.399 1.00 0.00 O ATOM 0 H GLY A 104 -7.081 -25.068 -23.568 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.192 -23.865 -23.698 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.430 -23.857 -25.434 1.00 0.00 H new ATOM 1603 N THR A 105 -6.714 -21.638 -23.327 1.00 0.00 N ATOM 1604 CA THR A 105 -7.019 -20.222 -23.164 1.00 0.00 C ATOM 1605 C THR A 105 -6.050 -19.561 -22.191 1.00 0.00 C ATOM 1606 O THR A 105 -5.443 -20.227 -21.352 1.00 0.00 O ATOM 1607 CB THR A 105 -8.459 -20.012 -22.660 1.00 0.00 C ATOM 1608 OG1 THR A 105 -8.850 -21.106 -21.823 1.00 0.00 O ATOM 1609 CG2 THR A 105 -9.428 -19.887 -23.826 1.00 0.00 C ATOM 0 H THR A 105 -6.960 -22.217 -22.524 1.00 0.00 H new ATOM 0 HA THR A 105 -6.916 -19.760 -24.146 1.00 0.00 H new ATOM 0 HB THR A 105 -8.487 -19.087 -22.084 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.401 -21.732 -22.338 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.439 -19.739 -23.445 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.145 -19.035 -24.444 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.396 -20.797 -24.425 1.00 0.00 H new ATOM 1617 N LYS A 106 -5.909 -18.244 -22.307 1.00 0.00 N ATOM 1618 CA LYS A 106 -5.015 -17.490 -21.436 1.00 0.00 C ATOM 1619 C LYS A 106 -5.804 -16.549 -20.531 1.00 0.00 C ATOM 1620 O LYS A 106 -6.813 -15.976 -20.943 1.00 0.00 O ATOM 1621 CB LYS A 106 -4.011 -16.692 -22.270 1.00 0.00 C ATOM 1622 CG LYS A 106 -4.217 -16.831 -23.768 1.00 0.00 C ATOM 1623 CD LYS A 106 -3.361 -15.844 -24.543 1.00 0.00 C ATOM 1624 CE LYS A 106 -2.331 -16.557 -25.406 1.00 0.00 C ATOM 1625 NZ LYS A 106 -2.902 -16.980 -26.715 1.00 0.00 N ATOM 0 H LYS A 106 -6.403 -17.677 -22.996 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.474 -18.199 -20.809 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.082 -15.639 -21.998 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.002 -17.019 -22.019 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.972 -17.847 -24.077 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -5.268 -16.669 -24.008 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -3.999 -15.224 -25.173 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -2.854 -15.176 -23.847 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.481 -15.897 -25.577 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.954 -17.431 -24.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -2.169 -17.462 -27.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -3.697 -17.630 -26.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.239 -16.144 -27.233 1.00 0.00 H new ATOM 1639 N LEU A 107 -5.336 -16.392 -19.297 1.00 0.00 N ATOM 1640 CA LEU A 107 -5.997 -15.518 -18.334 1.00 0.00 C ATOM 1641 C LEU A 107 -6.168 -14.113 -18.902 1.00 0.00 C ATOM 1642 O LEU A 107 -7.282 -13.684 -19.206 1.00 0.00 O ATOM 1643 CB LEU A 107 -5.194 -15.461 -17.033 1.00 0.00 C ATOM 1644 CG LEU A 107 -5.935 -14.917 -15.811 1.00 0.00 C ATOM 1645 CD1 LEU A 107 -6.759 -16.013 -15.155 1.00 0.00 C ATOM 1646 CD2 LEU A 107 -4.952 -14.317 -14.816 1.00 0.00 C ATOM 0 H LEU A 107 -4.502 -16.858 -18.940 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.985 -15.928 -18.126 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.842 -16.467 -16.802 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.311 -14.845 -17.201 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.613 -14.130 -16.141 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.279 -15.607 -14.287 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.488 -16.397 -15.869 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.101 -16.822 -14.838 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.496 -13.935 -13.952 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.249 -15.084 -14.491 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.406 -13.502 -15.291 1.00 0.00 H new ATOM 1658 N THR A 108 -5.055 -13.399 -19.045 1.00 0.00 N ATOM 1659 CA THR A 108 -5.081 -12.042 -19.578 1.00 0.00 C ATOM 1660 C THR A 108 -5.907 -11.969 -20.857 1.00 0.00 C ATOM 1661 O THR A 108 -6.390 -10.902 -21.235 1.00 0.00 O ATOM 1662 CB THR A 108 -3.659 -11.526 -19.868 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.694 -10.120 -20.140 1.00 0.00 O ATOM 1664 CG2 THR A 108 -3.048 -12.261 -21.052 1.00 0.00 C ATOM 0 H THR A 108 -4.125 -13.738 -18.799 1.00 0.00 H new ATOM 0 HA THR A 108 -5.540 -11.412 -18.816 1.00 0.00 H new ATOM 0 HB THR A 108 -3.043 -11.710 -18.988 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.786 -9.799 -20.322 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.044 -11.880 -21.238 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.996 -13.327 -20.831 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.666 -12.103 -21.936 1.00 0.00 H new ATOM 1672 N ASP A 109 -6.066 -13.110 -21.519 1.00 0.00 N ATOM 1673 CA ASP A 109 -6.836 -13.175 -22.755 1.00 0.00 C ATOM 1674 C ASP A 109 -8.334 -13.162 -22.464 1.00 0.00 C ATOM 1675 O ASP A 109 -9.094 -12.434 -23.103 1.00 0.00 O ATOM 1676 CB ASP A 109 -6.469 -14.433 -23.544 1.00 0.00 C ATOM 1677 CG ASP A 109 -6.053 -14.122 -24.969 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -5.455 -13.049 -25.191 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -6.328 -14.951 -25.862 1.00 0.00 O ATOM 0 H ASP A 109 -5.672 -14.002 -21.220 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.592 -12.296 -23.352 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.656 -14.952 -23.036 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.322 -15.112 -23.557 1.00 0.00 H new ATOM 1684 N ILE A 110 -8.751 -13.973 -21.498 1.00 0.00 N ATOM 1685 CA ILE A 110 -10.157 -14.054 -21.123 1.00 0.00 C ATOM 1686 C ILE A 110 -10.582 -12.832 -20.315 1.00 0.00 C ATOM 1687 O ILE A 110 -11.731 -12.395 -20.389 1.00 0.00 O ATOM 1688 CB ILE A 110 -10.448 -15.324 -20.302 1.00 0.00 C ATOM 1689 CG1 ILE A 110 -11.057 -16.407 -21.196 1.00 0.00 C ATOM 1690 CG2 ILE A 110 -11.378 -15.003 -19.141 1.00 0.00 C ATOM 1691 CD1 ILE A 110 -10.789 -17.814 -20.709 1.00 0.00 C ATOM 0 H ILE A 110 -8.135 -14.583 -20.961 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.729 -14.091 -22.050 1.00 0.00 H new ATOM 0 HB ILE A 110 -9.509 -15.700 -19.896 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -12.134 -16.252 -21.258 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.660 -16.299 -22.205 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.574 -15.911 -18.570 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.909 -14.262 -18.494 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.317 -14.606 -19.526 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -11.250 -18.529 -21.391 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.714 -17.988 -20.673 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -11.210 -17.940 -19.712 1.00 0.00 H new ATOM 1703 N LEU A 111 -9.647 -12.284 -19.546 1.00 0.00 N ATOM 1704 CA LEU A 111 -9.924 -11.110 -18.726 1.00 0.00 C ATOM 1705 C LEU A 111 -9.976 -9.848 -19.581 1.00 0.00 C ATOM 1706 O LEU A 111 -10.801 -8.963 -19.352 1.00 0.00 O ATOM 1707 CB LEU A 111 -8.857 -10.960 -17.640 1.00 0.00 C ATOM 1708 CG LEU A 111 -9.356 -10.508 -16.267 1.00 0.00 C ATOM 1709 CD1 LEU A 111 -9.622 -9.011 -16.262 1.00 0.00 C ATOM 1710 CD2 LEU A 111 -10.610 -11.276 -15.876 1.00 0.00 C ATOM 0 H LEU A 111 -8.692 -12.634 -19.473 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.897 -11.248 -18.255 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.349 -11.917 -17.523 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.112 -10.244 -17.987 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.580 -10.721 -15.532 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.976 -8.708 -15.277 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.701 -8.477 -16.497 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.379 -8.774 -17.009 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -10.951 -10.941 -14.896 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.392 -11.095 -16.614 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.387 -12.342 -15.838 1.00 0.00 H new ATOM 1722 N THR A 112 -9.091 -9.772 -20.570 1.00 0.00 N ATOM 1723 CA THR A 112 -9.037 -8.620 -21.461 1.00 0.00 C ATOM 1724 C THR A 112 -10.215 -8.617 -22.428 1.00 0.00 C ATOM 1725 O THR A 112 -10.807 -7.572 -22.695 1.00 0.00 O ATOM 1726 CB THR A 112 -7.725 -8.595 -22.267 1.00 0.00 C ATOM 1727 OG1 THR A 112 -6.621 -8.317 -21.399 1.00 0.00 O ATOM 1728 CG2 THR A 112 -7.787 -7.547 -23.368 1.00 0.00 C ATOM 0 H THR A 112 -8.401 -10.495 -20.774 1.00 0.00 H new ATOM 0 HA THR A 112 -9.085 -7.731 -20.832 1.00 0.00 H new ATOM 0 HB THR A 112 -7.588 -9.574 -22.726 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.327 -9.146 -20.968 1.00 0.00 H new ATOM 0 HG21 THR A 112 -6.849 -7.547 -23.924 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.610 -7.778 -24.044 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.946 -6.564 -22.926 1.00 0.00 H new ATOM 1736 N GLU A 113 -10.551 -9.793 -22.949 1.00 0.00 N ATOM 1737 CA GLU A 113 -11.659 -9.924 -23.887 1.00 0.00 C ATOM 1738 C GLU A 113 -12.999 -9.818 -23.164 1.00 0.00 C ATOM 1739 O GLU A 113 -13.950 -9.235 -23.682 1.00 0.00 O ATOM 1740 CB GLU A 113 -11.572 -11.259 -24.631 1.00 0.00 C ATOM 1741 CG GLU A 113 -10.709 -11.204 -25.880 1.00 0.00 C ATOM 1742 CD GLU A 113 -9.393 -10.488 -25.649 1.00 0.00 C ATOM 1743 OE1 GLU A 113 -8.495 -11.085 -25.018 1.00 0.00 O ATOM 1744 OE2 GLU A 113 -9.260 -9.331 -26.099 1.00 0.00 O ATOM 0 H GLU A 113 -10.072 -10.668 -22.737 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.589 -9.110 -24.608 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.172 -12.016 -23.956 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.577 -11.577 -24.908 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.510 -12.219 -26.225 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.258 -10.699 -26.675 1.00 0.00 H new ATOM 1751 N GLU A 114 -13.064 -10.388 -21.965 1.00 0.00 N ATOM 1752 CA GLU A 114 -14.288 -10.359 -21.172 1.00 0.00 C ATOM 1753 C GLU A 114 -14.611 -8.937 -20.723 1.00 0.00 C ATOM 1754 O GLU A 114 -15.732 -8.459 -20.896 1.00 0.00 O ATOM 1755 CB GLU A 114 -14.153 -11.272 -19.952 1.00 0.00 C ATOM 1756 CG GLU A 114 -15.408 -11.337 -19.098 1.00 0.00 C ATOM 1757 CD GLU A 114 -16.498 -12.182 -19.728 1.00 0.00 C ATOM 1758 OE1 GLU A 114 -16.345 -13.421 -19.759 1.00 0.00 O ATOM 1759 OE2 GLU A 114 -17.505 -11.605 -20.190 1.00 0.00 O ATOM 0 H GLU A 114 -12.285 -10.875 -21.522 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.105 -10.719 -21.798 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.900 -12.278 -20.288 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.323 -10.923 -19.337 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.156 -11.746 -18.119 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.785 -10.327 -18.935 1.00 0.00 H new ATOM 1766 N VAL A 115 -13.620 -8.265 -20.144 1.00 0.00 N ATOM 1767 CA VAL A 115 -13.798 -6.898 -19.670 1.00 0.00 C ATOM 1768 C VAL A 115 -14.001 -5.935 -20.834 1.00 0.00 C ATOM 1769 O VAL A 115 -14.695 -4.927 -20.703 1.00 0.00 O ATOM 1770 CB VAL A 115 -12.590 -6.432 -18.836 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -12.871 -5.080 -18.197 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -12.240 -7.468 -17.779 1.00 0.00 C ATOM 0 H VAL A 115 -12.686 -8.646 -19.992 1.00 0.00 H new ATOM 0 HA VAL A 115 -14.688 -6.894 -19.040 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.733 -6.322 -19.501 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -12.006 -4.767 -17.612 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -13.068 -4.343 -18.976 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -13.741 -5.160 -17.545 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -11.384 -7.122 -17.199 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.093 -7.613 -17.116 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -11.992 -8.412 -18.263 1.00 0.00 H new ATOM 1782 N GLU A 116 -13.392 -6.253 -21.972 1.00 0.00 N ATOM 1783 CA GLU A 116 -13.507 -5.415 -23.159 1.00 0.00 C ATOM 1784 C GLU A 116 -14.930 -5.441 -23.708 1.00 0.00 C ATOM 1785 O GLU A 116 -15.524 -4.396 -23.975 1.00 0.00 O ATOM 1786 CB GLU A 116 -12.524 -5.881 -24.236 1.00 0.00 C ATOM 1787 CG GLU A 116 -12.569 -5.044 -25.503 1.00 0.00 C ATOM 1788 CD GLU A 116 -11.867 -3.709 -25.346 1.00 0.00 C ATOM 1789 OE1 GLU A 116 -12.380 -2.856 -24.591 1.00 0.00 O ATOM 1790 OE2 GLU A 116 -10.807 -3.517 -25.977 1.00 0.00 O ATOM 0 H GLU A 116 -12.814 -7.084 -22.097 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.265 -4.391 -22.874 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.513 -5.855 -23.829 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.740 -6.919 -24.488 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.106 -5.600 -26.318 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.608 -4.873 -25.784 1.00 0.00 H new ATOM 1797 N LYS A 117 -15.472 -6.642 -23.876 1.00 0.00 N ATOM 1798 CA LYS A 117 -16.825 -6.807 -24.392 1.00 0.00 C ATOM 1799 C LYS A 117 -17.859 -6.550 -23.300 1.00 0.00 C ATOM 1800 O LYS A 117 -19.048 -6.400 -23.581 1.00 0.00 O ATOM 1801 CB LYS A 117 -17.008 -8.216 -24.961 1.00 0.00 C ATOM 1802 CG LYS A 117 -16.498 -8.368 -26.384 1.00 0.00 C ATOM 1803 CD LYS A 117 -15.762 -9.683 -26.574 1.00 0.00 C ATOM 1804 CE LYS A 117 -16.722 -10.862 -26.595 1.00 0.00 C ATOM 1805 NZ LYS A 117 -16.227 -11.966 -27.463 1.00 0.00 N ATOM 0 H LYS A 117 -14.994 -7.517 -23.662 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.975 -6.078 -25.188 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -16.489 -8.928 -24.320 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -18.066 -8.475 -24.934 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.336 -8.315 -27.079 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -15.832 -7.539 -26.623 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.199 -9.654 -27.507 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.039 -9.816 -25.769 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.863 -11.234 -25.580 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.697 -10.530 -26.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -16.910 -12.750 -27.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -16.117 -11.619 -28.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -15.308 -12.301 -27.109 1.00 0.00 H new ATOM 1819 N ALA A 118 -17.398 -6.499 -22.055 1.00 0.00 N ATOM 1820 CA ALA A 118 -18.282 -6.257 -20.922 1.00 0.00 C ATOM 1821 C ALA A 118 -18.381 -4.767 -20.611 1.00 0.00 C ATOM 1822 O ALA A 118 -19.412 -4.289 -20.138 1.00 0.00 O ATOM 1823 CB ALA A 118 -17.797 -7.023 -19.700 1.00 0.00 C ATOM 0 H ALA A 118 -16.417 -6.622 -21.805 1.00 0.00 H new ATOM 0 HA ALA A 118 -19.278 -6.613 -21.188 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -18.467 -6.833 -18.862 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.786 -8.090 -19.920 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -16.790 -6.696 -19.441 1.00 0.00 H new ATOM 1829 N ILE A 119 -17.301 -4.040 -20.878 1.00 0.00 N ATOM 1830 CA ILE A 119 -17.267 -2.604 -20.627 1.00 0.00 C ATOM 1831 C ILE A 119 -17.661 -1.818 -21.872 1.00 0.00 C ATOM 1832 O ILE A 119 -18.231 -0.731 -21.779 1.00 0.00 O ATOM 1833 CB ILE A 119 -15.871 -2.147 -20.165 1.00 0.00 C ATOM 1834 CG1 ILE A 119 -15.633 -2.552 -18.708 1.00 0.00 C ATOM 1835 CG2 ILE A 119 -15.724 -0.642 -20.333 1.00 0.00 C ATOM 1836 CD1 ILE A 119 -14.203 -2.362 -18.254 1.00 0.00 C ATOM 0 H ILE A 119 -16.439 -4.421 -21.268 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.987 -2.405 -19.833 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.121 -2.637 -20.785 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -16.291 -1.967 -18.065 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -15.910 -3.598 -18.580 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.732 -0.334 -20.002 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.854 -0.379 -21.383 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -16.480 -0.134 -19.735 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.108 -2.669 -17.212 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.541 -2.968 -18.873 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.928 -1.312 -18.349 1.00 0.00 H new ATOM 1848 N SER A 120 -17.355 -2.377 -23.039 1.00 0.00 N ATOM 1849 CA SER A 120 -17.675 -1.727 -24.305 1.00 0.00 C ATOM 1850 C SER A 120 -19.060 -2.141 -24.792 1.00 0.00 C ATOM 1851 O SER A 120 -19.709 -1.415 -25.547 1.00 0.00 O ATOM 1852 CB SER A 120 -16.625 -2.076 -25.361 1.00 0.00 C ATOM 1853 OG SER A 120 -16.717 -1.208 -26.478 1.00 0.00 O ATOM 0 H SER A 120 -16.886 -3.278 -23.134 1.00 0.00 H new ATOM 0 HA SER A 120 -17.673 -0.649 -24.143 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.629 -2.007 -24.924 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.760 -3.108 -25.686 1.00 0.00 H new ATOM 0 HG SER A 120 -16.034 -1.451 -27.138 1.00 0.00 H new ATOM 1859 N LYS A 121 -19.509 -3.313 -24.356 1.00 0.00 N ATOM 1860 CA LYS A 121 -20.817 -3.826 -24.745 1.00 0.00 C ATOM 1861 C LYS A 121 -21.874 -2.728 -24.673 1.00 0.00 C ATOM 1862 O LYS A 121 -22.869 -2.764 -25.397 1.00 0.00 O ATOM 1863 CB LYS A 121 -21.219 -4.995 -23.843 1.00 0.00 C ATOM 1864 CG LYS A 121 -22.675 -4.960 -23.415 1.00 0.00 C ATOM 1865 CD LYS A 121 -23.032 -6.161 -22.555 1.00 0.00 C ATOM 1866 CE LYS A 121 -23.854 -5.754 -21.342 1.00 0.00 C ATOM 1867 NZ LYS A 121 -23.599 -6.643 -20.175 1.00 0.00 N ATOM 0 H LYS A 121 -18.985 -3.926 -23.732 1.00 0.00 H new ATOM 0 HA LYS A 121 -20.751 -4.177 -25.775 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -21.026 -5.931 -24.367 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -20.588 -4.991 -22.954 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -22.870 -4.043 -22.860 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -23.314 -4.940 -24.298 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -23.592 -6.882 -23.150 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -22.120 -6.659 -22.227 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -23.618 -4.724 -21.072 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -24.914 -5.782 -21.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -24.178 -6.332 -19.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -23.848 -7.622 -20.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -22.593 -6.597 -19.917 1.00 0.00 H new ATOM 1881 N SER A 122 -21.651 -1.754 -23.797 1.00 0.00 N ATOM 1882 CA SER A 122 -22.586 -0.648 -23.630 1.00 0.00 C ATOM 1883 C SER A 122 -22.518 0.305 -24.819 1.00 0.00 C ATOM 1884 O SER A 122 -23.546 0.746 -25.333 1.00 0.00 O ATOM 1885 CB SER A 122 -22.285 0.111 -22.336 1.00 0.00 C ATOM 1886 OG SER A 122 -23.479 0.430 -21.642 1.00 0.00 O ATOM 0 H SER A 122 -20.831 -1.708 -23.192 1.00 0.00 H new ATOM 0 HA SER A 122 -23.593 -1.061 -23.575 1.00 0.00 H new ATOM 0 HB2 SER A 122 -21.640 -0.493 -21.698 1.00 0.00 H new ATOM 0 HB3 SER A 122 -21.739 1.026 -22.566 1.00 0.00 H new ATOM 0 HG SER A 122 -23.259 0.913 -20.818 1.00 0.00 H new ATOM 1892 N GLN A 123 -21.301 0.618 -25.249 1.00 0.00 N ATOM 1893 CA GLN A 123 -21.098 1.520 -26.377 1.00 0.00 C ATOM 1894 C GLN A 123 -21.925 2.791 -26.214 1.00 0.00 C ATOM 1895 O GLN A 123 -21.393 3.853 -25.888 1.00 0.00 O ATOM 1896 CB GLN A 123 -21.467 0.822 -27.688 1.00 0.00 C ATOM 1897 CG GLN A 123 -22.193 1.723 -28.673 1.00 0.00 C ATOM 1898 CD GLN A 123 -22.459 1.041 -30.001 1.00 0.00 C ATOM 1899 OE1 GLN A 123 -23.604 0.742 -30.340 1.00 0.00 O ATOM 1900 NE2 GLN A 123 -21.399 0.792 -30.761 1.00 0.00 N ATOM 0 H GLN A 123 -20.440 0.261 -24.834 1.00 0.00 H new ATOM 0 HA GLN A 123 -20.044 1.796 -26.404 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -20.559 0.443 -28.156 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -22.095 -0.041 -27.466 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -23.139 2.043 -28.237 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -21.600 2.622 -28.843 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -20.468 1.057 -30.440 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -21.516 0.335 -31.666 1.00 0.00 H new