USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 972 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 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.0149 X(o=-0.015,f=0.48) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.462 F(o=-1.6!,f=-0.46) USER MOD Single : A 22 ASN : amide:sc= -7.54! C(o=-7.5!,f=-13!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 34 MET CE :methyl 168:sc= -2.32! (180deg=-2.61!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0217 (180deg=-0.446) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.47! USER MOD Single : A 51 TYR OH : rot 180:sc= -2.92! USER MOD Single : A 53 SER OG : rot 180:sc= -1.16 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot -82:sc= -0.492 USER MOD Single : A 57 CYS SG : rot 180:sc= -3.57! USER MOD Single : A 60 TYR OH : rot 8:sc= -0.248 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 70 ASN : amide:sc= -2.98 X(o=-3,f=-3.1!) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= -0.574 (180deg=-1.65!) USER MOD Single : A 81 ASN : amide:sc= -2.36! C(o=-2.4!,f=-6.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -1.39 F(o=-2,f=-1.4) USER MOD Single : A 84 ASN : amide:sc= -0.785 K(o=-0.79,f=-1.6) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0.326 (180deg=0.102) USER MOD Single : A 94 THR OG1 : rot -160:sc= -0.754 USER MOD Single : A 97 SER OG : rot -14:sc= 1.13 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -168:sc= -2.15 (180deg=-2.31!) USER MOD Single : A 108 THR OG1 : rot 72:sc= 0.644 USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 MET CE :methyl -127:sc= -0.0368 (180deg=-0.302) USER MOD Single : A 126 SER OG : rot 84:sc= -3.14! USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.623 F(o=-2.1,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 240 N GLY A 17 -5.270 -18.130 6.200 1.00 0.00 N ATOM 241 CA GLY A 17 -5.008 -16.695 6.199 1.00 0.00 C ATOM 242 C GLY A 17 -3.517 -16.409 6.056 1.00 0.00 C ATOM 243 O GLY A 17 -2.753 -16.547 7.012 1.00 0.00 O ATOM 0 HA2 GLY A 17 -5.552 -16.224 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.379 -16.254 7.124 1.00 0.00 H new ATOM 247 N HIS A 18 -3.110 -16.008 4.856 1.00 0.00 N ATOM 248 CA HIS A 18 -1.709 -15.700 4.596 1.00 0.00 C ATOM 249 C HIS A 18 -1.594 -14.630 3.513 1.00 0.00 C ATOM 250 O HIS A 18 -2.528 -14.415 2.741 1.00 0.00 O ATOM 251 CB HIS A 18 -0.968 -16.963 4.153 1.00 0.00 C ATOM 252 CG HIS A 18 -1.508 -17.424 2.827 1.00 0.00 C ATOM 253 ND1 HIS A 18 -1.447 -16.874 1.572 1.00 0.00 N flip ATOM 254 CD2 HIS A 18 -2.218 -18.606 2.690 1.00 0.00 C flip ATOM 255 CE1 HIS A 18 -2.107 -17.701 0.666 1.00 0.00 C flip ATOM 256 NE2 HIS A 18 -2.552 -18.729 1.392 1.00 0.00 N flip ATOM 0 H HIS A 18 -3.727 -15.889 4.052 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.260 -15.324 5.515 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.100 -16.761 4.072 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.088 -17.748 4.899 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.459 -19.301 3.480 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.232 -17.544 -0.395 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.081 -19.513 1.009 1.00 0.00 H new ATOM 264 N ILE A 19 -0.448 -13.959 3.465 1.00 0.00 N ATOM 265 CA ILE A 19 -0.232 -12.911 2.473 1.00 0.00 C ATOM 266 C ILE A 19 0.959 -13.247 1.582 1.00 0.00 C ATOM 267 O ILE A 19 1.816 -14.051 1.949 1.00 0.00 O ATOM 268 CB ILE A 19 0.014 -11.574 3.174 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.664 -11.585 4.546 1.00 0.00 C ATOM 270 CG2 ILE A 19 -0.567 -10.439 2.330 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.557 -10.197 5.185 1.00 0.00 C ATOM 0 H ILE A 19 0.339 -14.119 4.094 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.124 -12.839 1.851 1.00 0.00 H new ATOM 0 HB ILE A 19 1.086 -11.422 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.711 -11.869 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.194 -12.329 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.391 -9.487 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.085 -10.429 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.639 -10.591 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.041 -10.208 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.493 -9.931 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.048 -9.463 4.545 1.00 0.00 H new ATOM 283 N VAL A 20 1.005 -12.621 0.410 1.00 0.00 N ATOM 284 CA VAL A 20 2.093 -12.853 -0.533 1.00 0.00 C ATOM 285 C VAL A 20 2.924 -11.586 -0.706 1.00 0.00 C ATOM 286 O VAL A 20 2.388 -10.478 -0.698 1.00 0.00 O ATOM 287 CB VAL A 20 1.524 -13.283 -1.887 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.575 -14.088 -2.654 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.283 -14.151 -1.662 1.00 0.00 C ATOM 0 H VAL A 20 0.304 -11.952 0.092 1.00 0.00 H new ATOM 0 HA VAL A 20 2.732 -13.644 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 20 1.254 -12.399 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.168 -14.393 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.460 -13.472 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.847 -14.973 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.125 -14.459 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.556 -15.034 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.467 -13.579 -1.116 1.00 0.00 H new ATOM 299 N ALA A 21 4.232 -11.756 -0.858 1.00 0.00 N ATOM 300 CA ALA A 21 5.123 -10.613 -1.028 1.00 0.00 C ATOM 301 C ALA A 21 6.102 -10.858 -2.172 1.00 0.00 C ATOM 302 O ALA A 21 6.469 -11.997 -2.455 1.00 0.00 O ATOM 303 CB ALA A 21 5.897 -10.357 0.266 1.00 0.00 C ATOM 0 H ALA A 21 4.696 -12.664 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 21 4.518 -9.739 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.560 -9.502 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.196 -10.148 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.488 -11.238 0.517 1.00 0.00 H new ATOM 309 N ASN A 22 6.522 -9.777 -2.822 1.00 0.00 N ATOM 310 CA ASN A 22 7.460 -9.880 -3.934 1.00 0.00 C ATOM 311 C ASN A 22 8.888 -10.024 -3.420 1.00 0.00 C ATOM 312 O ASN A 22 9.284 -9.359 -2.462 1.00 0.00 O ATOM 313 CB ASN A 22 7.353 -8.637 -4.819 1.00 0.00 C ATOM 314 CG ASN A 22 8.025 -8.893 -6.165 1.00 0.00 C ATOM 315 OD1 ASN A 22 9.216 -9.198 -6.217 1.00 0.00 O ATOM 316 ND2 ASN A 22 7.328 -8.787 -7.263 1.00 0.00 N ATOM 0 H ASN A 22 6.230 -8.825 -2.600 1.00 0.00 H new ATOM 0 HA ASN A 22 7.209 -10.765 -4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.305 -8.378 -4.970 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.824 -7.787 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.770 -8.957 -8.166 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.341 -8.534 -7.218 1.00 0.00 H new ATOM 323 N GLU A 23 9.658 -10.899 -4.061 1.00 0.00 N ATOM 324 CA GLU A 23 11.041 -11.127 -3.659 1.00 0.00 C ATOM 325 C GLU A 23 11.844 -9.831 -3.723 1.00 0.00 C ATOM 326 O GLU A 23 12.761 -9.620 -2.930 1.00 0.00 O ATOM 327 CB GLU A 23 11.685 -12.171 -4.574 1.00 0.00 C ATOM 328 CG GLU A 23 13.104 -12.471 -4.087 1.00 0.00 C ATOM 329 CD GLU A 23 13.076 -12.881 -2.619 1.00 0.00 C ATOM 330 OE1 GLU A 23 12.902 -14.060 -2.356 1.00 0.00 O ATOM 331 OE2 GLU A 23 13.230 -12.010 -1.778 1.00 0.00 O ATOM 0 H GLU A 23 9.349 -11.458 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 23 11.043 -11.490 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.090 -13.084 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.711 -11.804 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.542 -13.268 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.735 -11.591 -4.215 1.00 0.00 H new ATOM 338 N LYS A 24 11.494 -8.967 -4.670 1.00 0.00 N ATOM 339 CA LYS A 24 12.194 -7.698 -4.823 1.00 0.00 C ATOM 340 C LYS A 24 11.772 -6.721 -3.730 1.00 0.00 C ATOM 341 O LYS A 24 12.507 -6.499 -2.768 1.00 0.00 O ATOM 342 CB LYS A 24 11.896 -7.098 -6.198 1.00 0.00 C ATOM 343 CG LYS A 24 13.017 -6.134 -6.588 1.00 0.00 C ATOM 344 CD LYS A 24 12.627 -5.388 -7.864 1.00 0.00 C ATOM 345 CE LYS A 24 13.264 -3.998 -7.856 1.00 0.00 C ATOM 346 NZ LYS A 24 13.048 -3.348 -9.180 1.00 0.00 N ATOM 0 H LYS A 24 10.737 -9.120 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 24 13.265 -7.880 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.809 -7.891 -6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.941 -6.573 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.198 -5.425 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.945 -6.683 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.957 -5.946 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.542 -5.302 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.827 -3.390 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.331 -4.076 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.480 -2.402 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.485 -3.926 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.028 -3.262 -9.362 1.00 0.00 H new ATOM 360 N TRP A 25 10.584 -6.145 -3.880 1.00 0.00 N ATOM 361 CA TRP A 25 10.077 -5.201 -2.893 1.00 0.00 C ATOM 362 C TRP A 25 10.081 -5.839 -1.509 1.00 0.00 C ATOM 363 O TRP A 25 10.142 -5.146 -0.494 1.00 0.00 O ATOM 364 CB TRP A 25 8.656 -4.773 -3.264 1.00 0.00 C ATOM 365 CG TRP A 25 8.071 -3.954 -2.156 1.00 0.00 C ATOM 366 CD1 TRP A 25 7.044 -4.339 -1.366 1.00 0.00 C ATOM 367 CD2 TRP A 25 8.456 -2.623 -1.707 1.00 0.00 C ATOM 368 NE1 TRP A 25 6.774 -3.330 -0.460 1.00 0.00 N ATOM 369 CE2 TRP A 25 7.617 -2.250 -0.630 1.00 0.00 C ATOM 370 CE3 TRP A 25 9.442 -1.709 -2.125 1.00 0.00 C ATOM 371 CZ2 TRP A 25 7.751 -1.018 0.011 1.00 0.00 C ATOM 372 CZ3 TRP A 25 9.579 -0.467 -1.482 1.00 0.00 C ATOM 373 CH2 TRP A 25 8.735 -0.122 -0.417 1.00 0.00 C ATOM 0 H TRP A 25 9.959 -6.314 -4.669 1.00 0.00 H new ATOM 0 HA TRP A 25 10.722 -4.323 -2.880 1.00 0.00 H new ATOM 0 HB2 TRP A 25 8.669 -4.195 -4.188 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.037 -5.651 -3.446 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.520 -5.281 -1.432 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.041 -3.378 0.248 1.00 0.00 H new ATOM 0 HE3 TRP A 25 10.097 -1.964 -2.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.099 -0.758 0.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 10.339 0.226 -1.810 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.845 0.835 0.072 1.00 0.00 H new ATOM 384 N ARG A 26 10.030 -7.170 -1.485 1.00 0.00 N ATOM 385 CA ARG A 26 10.038 -7.920 -0.236 1.00 0.00 C ATOM 386 C ARG A 26 9.562 -7.050 0.927 1.00 0.00 C ATOM 387 O ARG A 26 10.096 -7.130 2.032 1.00 0.00 O ATOM 388 CB ARG A 26 11.454 -8.434 0.027 1.00 0.00 C ATOM 389 CG ARG A 26 11.558 -8.996 1.447 1.00 0.00 C ATOM 390 CD ARG A 26 12.453 -10.238 1.438 1.00 0.00 C ATOM 391 NE ARG A 26 13.137 -10.376 2.718 1.00 0.00 N ATOM 392 CZ ARG A 26 14.239 -9.685 2.986 1.00 0.00 C ATOM 393 NH1 ARG A 26 14.723 -8.856 2.100 1.00 0.00 N ATOM 394 NH2 ARG A 26 14.839 -9.833 4.135 1.00 0.00 N ATOM 0 H ARG A 26 9.983 -7.751 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 26 9.352 -8.763 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.708 -9.208 -0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.173 -7.625 -0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.969 -8.243 2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.567 -9.251 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.853 -11.126 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.184 -10.162 0.633 1.00 0.00 H new ATOM 0 HE ARG A 26 12.763 -11.014 3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.254 -8.739 1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.569 -8.326 2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.462 -10.480 4.828 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.685 -9.302 4.340 1.00 0.00 H new ATOM 408 N GLY A 27 8.548 -6.226 0.663 1.00 0.00 N ATOM 409 CA GLY A 27 7.991 -5.340 1.683 1.00 0.00 C ATOM 410 C GLY A 27 8.933 -5.191 2.872 1.00 0.00 C ATOM 411 O GLY A 27 8.515 -5.303 4.025 1.00 0.00 O ATOM 0 H GLY A 27 8.096 -6.154 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.796 -4.360 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.033 -5.733 2.024 1.00 0.00 H new ATOM 415 N SER A 28 10.206 -4.939 2.586 1.00 0.00 N ATOM 416 CA SER A 28 11.197 -4.779 3.642 1.00 0.00 C ATOM 417 C SER A 28 11.056 -5.887 4.680 1.00 0.00 C ATOM 418 O SER A 28 10.131 -6.697 4.616 1.00 0.00 O ATOM 419 CB SER A 28 11.025 -3.419 4.319 1.00 0.00 C ATOM 420 OG SER A 28 11.763 -2.440 3.600 1.00 0.00 O ATOM 0 H SER A 28 10.573 -4.842 1.639 1.00 0.00 H new ATOM 0 HA SER A 28 12.189 -4.838 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.970 -3.146 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.372 -3.467 5.351 1.00 0.00 H new ATOM 0 HG SER A 28 11.653 -1.566 4.030 1.00 0.00 H new ATOM 426 N GLN A 29 11.977 -5.917 5.637 1.00 0.00 N ATOM 427 CA GLN A 29 11.942 -6.928 6.685 1.00 0.00 C ATOM 428 C GLN A 29 10.514 -7.138 7.176 1.00 0.00 C ATOM 429 O GLN A 29 10.181 -8.192 7.719 1.00 0.00 O ATOM 430 CB GLN A 29 12.825 -6.491 7.854 1.00 0.00 C ATOM 431 CG GLN A 29 14.292 -6.503 7.418 1.00 0.00 C ATOM 432 CD GLN A 29 15.186 -6.091 8.583 1.00 0.00 C ATOM 433 OE1 GLN A 29 15.103 -4.959 9.058 1.00 0.00 O ATOM 434 NE2 GLN A 29 16.040 -6.947 9.073 1.00 0.00 N ATOM 0 H GLN A 29 12.752 -5.257 5.708 1.00 0.00 H new ATOM 0 HA GLN A 29 12.315 -7.867 6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.541 -5.492 8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.681 -7.160 8.702 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.569 -7.499 7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.436 -5.822 6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.106 -7.885 8.677 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.641 -6.679 9.852 1.00 0.00 H new ATOM 443 N LEU A 30 9.679 -6.126 6.982 1.00 0.00 N ATOM 444 CA LEU A 30 8.288 -6.194 7.404 1.00 0.00 C ATOM 445 C LEU A 30 7.657 -7.518 6.979 1.00 0.00 C ATOM 446 O LEU A 30 6.966 -8.166 7.765 1.00 0.00 O ATOM 447 CB LEU A 30 7.531 -5.003 6.800 1.00 0.00 C ATOM 448 CG LEU A 30 6.248 -5.462 6.099 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.312 -6.127 7.109 1.00 0.00 C ATOM 450 CD2 LEU A 30 5.556 -4.245 5.484 1.00 0.00 C ATOM 0 H LEU A 30 9.942 -5.248 6.535 1.00 0.00 H new ATOM 0 HA LEU A 30 8.232 -6.144 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.284 -4.289 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.172 -4.484 6.088 1.00 0.00 H new ATOM 0 HG LEU A 30 6.496 -6.182 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.402 -6.451 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.808 -6.991 7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.057 -5.414 7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.641 -4.561 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.311 -3.530 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.222 -3.774 4.761 1.00 0.00 H new ATOM 462 N ALA A 31 7.897 -7.913 5.733 1.00 0.00 N ATOM 463 CA ALA A 31 7.345 -9.162 5.220 1.00 0.00 C ATOM 464 C ALA A 31 7.907 -10.353 5.992 1.00 0.00 C ATOM 465 O ALA A 31 7.273 -11.406 6.073 1.00 0.00 O ATOM 466 CB ALA A 31 7.674 -9.308 3.734 1.00 0.00 C ATOM 0 H ALA A 31 8.465 -7.392 5.065 1.00 0.00 H new ATOM 0 HA ALA A 31 6.263 -9.140 5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.258 -10.243 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.243 -8.473 3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.756 -9.312 3.600 1.00 0.00 H new ATOM 472 N GLN A 32 9.097 -10.178 6.559 1.00 0.00 N ATOM 473 CA GLN A 32 9.733 -11.245 7.325 1.00 0.00 C ATOM 474 C GLN A 32 9.160 -11.305 8.738 1.00 0.00 C ATOM 475 O GLN A 32 9.095 -12.373 9.347 1.00 0.00 O ATOM 476 CB GLN A 32 11.243 -11.007 7.396 1.00 0.00 C ATOM 477 CG GLN A 32 11.981 -12.330 7.177 1.00 0.00 C ATOM 478 CD GLN A 32 13.487 -12.096 7.206 1.00 0.00 C ATOM 479 OE1 GLN A 32 13.950 -10.942 7.600 1.00 0.00 O flip ATOM 480 NE2 GLN A 32 14.262 -12.989 6.862 1.00 0.00 N flip ATOM 0 H GLN A 32 9.637 -9.314 6.503 1.00 0.00 H new ATOM 0 HA GLN A 32 9.537 -12.193 6.824 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.543 -10.282 6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.510 -10.586 8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.701 -13.045 7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.690 -12.764 6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.897 -13.890 6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.269 -12.827 6.885 1.00 0.00 H new ATOM 489 N GLU A 33 8.748 -10.152 9.253 1.00 0.00 N ATOM 490 CA GLU A 33 8.183 -10.084 10.596 1.00 0.00 C ATOM 491 C GLU A 33 6.824 -10.776 10.643 1.00 0.00 C ATOM 492 O GLU A 33 6.484 -11.429 11.630 1.00 0.00 O ATOM 493 CB GLU A 33 8.030 -8.625 11.024 1.00 0.00 C ATOM 494 CG GLU A 33 9.414 -8.016 11.259 1.00 0.00 C ATOM 495 CD GLU A 33 9.274 -6.637 11.896 1.00 0.00 C ATOM 496 OE1 GLU A 33 9.173 -5.673 11.156 1.00 0.00 O ATOM 497 OE2 GLU A 33 9.271 -6.568 13.115 1.00 0.00 O ATOM 0 H GLU A 33 8.794 -9.257 8.765 1.00 0.00 H new ATOM 0 HA GLU A 33 8.860 -10.594 11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.499 -8.063 10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.434 -8.562 11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.002 -8.667 11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.951 -7.937 10.314 1.00 0.00 H new ATOM 504 N MET A 34 6.051 -10.627 9.573 1.00 0.00 N ATOM 505 CA MET A 34 4.730 -11.242 9.506 1.00 0.00 C ATOM 506 C MET A 34 4.801 -12.709 9.919 1.00 0.00 C ATOM 507 O MET A 34 3.818 -13.278 10.391 1.00 0.00 O ATOM 508 CB MET A 34 4.174 -11.135 8.085 1.00 0.00 C ATOM 509 CG MET A 34 3.511 -9.769 7.897 1.00 0.00 C ATOM 510 SD MET A 34 3.702 -9.235 6.179 1.00 0.00 S ATOM 511 CE MET A 34 2.487 -7.895 6.225 1.00 0.00 C ATOM 0 H MET A 34 6.313 -10.090 8.746 1.00 0.00 H new ATOM 0 HA MET A 34 4.069 -10.714 10.194 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.976 -11.265 7.359 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.450 -11.930 7.906 1.00 0.00 H new ATOM 0 HG2 MET A 34 2.454 -9.828 8.155 1.00 0.00 H new ATOM 0 HG3 MET A 34 3.963 -9.038 8.568 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.587 -7.283 5.329 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.482 -8.316 6.267 1.00 0.00 H new ATOM 0 HE3 MET A 34 2.659 -7.278 7.107 1.00 0.00 H new ATOM 521 N GLN A 35 5.970 -13.313 9.737 1.00 0.00 N ATOM 522 CA GLN A 35 6.158 -14.715 10.095 1.00 0.00 C ATOM 523 C GLN A 35 6.135 -14.889 11.611 1.00 0.00 C ATOM 524 O GLN A 35 6.229 -16.007 12.118 1.00 0.00 O ATOM 525 CB GLN A 35 7.491 -15.222 9.541 1.00 0.00 C ATOM 526 CG GLN A 35 7.449 -15.201 8.011 1.00 0.00 C ATOM 527 CD GLN A 35 8.733 -15.799 7.446 1.00 0.00 C ATOM 528 OE1 GLN A 35 9.815 -15.247 7.644 1.00 0.00 O ATOM 529 NE2 GLN A 35 8.676 -16.902 6.751 1.00 0.00 N ATOM 0 H GLN A 35 6.796 -12.859 9.347 1.00 0.00 H new ATOM 0 HA GLN A 35 5.342 -15.293 9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.308 -14.597 9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.683 -16.234 9.896 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.588 -15.766 7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.328 -14.177 7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.778 -17.357 6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.530 -17.309 6.370 1.00 0.00 H new ATOM 538 N GLY A 36 6.006 -13.777 12.328 1.00 0.00 N ATOM 539 CA GLY A 36 5.970 -13.821 13.786 1.00 0.00 C ATOM 540 C GLY A 36 4.535 -13.912 14.295 1.00 0.00 C ATOM 541 O GLY A 36 4.300 -14.122 15.484 1.00 0.00 O ATOM 0 H GLY A 36 5.925 -12.842 11.928 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.541 -14.679 14.142 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.448 -12.930 14.192 1.00 0.00 H new ATOM 545 N LYS A 37 3.580 -13.754 13.384 1.00 0.00 N ATOM 546 CA LYS A 37 2.169 -13.821 13.749 1.00 0.00 C ATOM 547 C LYS A 37 1.392 -14.641 12.725 1.00 0.00 C ATOM 548 O LYS A 37 0.597 -15.510 13.082 1.00 0.00 O ATOM 549 CB LYS A 37 1.580 -12.411 13.822 1.00 0.00 C ATOM 550 CG LYS A 37 2.420 -11.553 14.770 1.00 0.00 C ATOM 551 CD LYS A 37 1.494 -10.692 15.634 1.00 0.00 C ATOM 552 CE LYS A 37 1.025 -11.502 16.843 1.00 0.00 C ATOM 553 NZ LYS A 37 -0.274 -10.959 17.330 1.00 0.00 N ATOM 0 H LYS A 37 3.755 -13.580 12.394 1.00 0.00 H new ATOM 0 HA LYS A 37 2.088 -14.301 14.724 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.561 -11.962 12.829 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.549 -12.454 14.172 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.038 -12.190 15.403 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.097 -10.918 14.199 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.018 -9.795 15.965 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.636 -10.362 15.049 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.913 -12.551 16.570 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.771 -11.456 17.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.594 -11.509 18.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.153 -9.964 17.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.984 -11.025 16.572 1.00 0.00 H new ATOM 567 N ILE A 38 1.630 -14.353 11.451 1.00 0.00 N ATOM 568 CA ILE A 38 0.949 -15.061 10.372 1.00 0.00 C ATOM 569 C ILE A 38 1.969 -15.641 9.397 1.00 0.00 C ATOM 570 O ILE A 38 3.163 -15.364 9.501 1.00 0.00 O ATOM 571 CB ILE A 38 0.016 -14.097 9.635 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.146 -14.872 9.005 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.796 -13.372 8.536 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.946 -15.584 10.097 1.00 0.00 C ATOM 0 H ILE A 38 2.287 -13.637 11.140 1.00 0.00 H new ATOM 0 HA ILE A 38 0.365 -15.878 10.796 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.380 -13.371 10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.793 -14.190 8.453 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.764 -15.599 8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.132 -12.685 8.011 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.618 -12.812 8.982 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.195 -14.102 7.831 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.771 -16.134 9.644 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.296 -16.279 10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.341 -14.848 10.797 1.00 0.00 H new ATOM 586 N LYS A 39 1.494 -16.445 8.452 1.00 0.00 N ATOM 587 CA LYS A 39 2.384 -17.052 7.470 1.00 0.00 C ATOM 588 C LYS A 39 2.613 -16.104 6.298 1.00 0.00 C ATOM 589 O LYS A 39 1.663 -15.608 5.691 1.00 0.00 O ATOM 590 CB LYS A 39 1.786 -18.362 6.955 1.00 0.00 C ATOM 591 CG LYS A 39 2.861 -19.151 6.207 1.00 0.00 C ATOM 592 CD LYS A 39 2.231 -20.384 5.558 1.00 0.00 C ATOM 593 CE LYS A 39 3.211 -20.994 4.555 1.00 0.00 C ATOM 594 NZ LYS A 39 4.504 -21.285 5.237 1.00 0.00 N ATOM 0 H LYS A 39 0.509 -16.689 8.346 1.00 0.00 H new ATOM 0 HA LYS A 39 3.339 -17.256 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.400 -18.951 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.945 -18.155 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.324 -18.523 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.651 -19.453 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.973 -21.118 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.304 -20.109 5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.795 -21.910 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.372 -20.307 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.053 -21.960 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.045 -20.404 5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.317 -21.695 6.174 1.00 0.00 H new ATOM 608 N LEU A 40 3.880 -15.857 5.990 1.00 0.00 N ATOM 609 CA LEU A 40 4.231 -14.965 4.891 1.00 0.00 C ATOM 610 C LEU A 40 5.052 -15.710 3.843 1.00 0.00 C ATOM 611 O LEU A 40 6.023 -16.391 4.172 1.00 0.00 O ATOM 612 CB LEU A 40 5.035 -13.776 5.430 1.00 0.00 C ATOM 613 CG LEU A 40 4.836 -12.550 4.534 1.00 0.00 C ATOM 614 CD1 LEU A 40 5.333 -12.859 3.121 1.00 0.00 C ATOM 615 CD2 LEU A 40 3.351 -12.184 4.482 1.00 0.00 C ATOM 0 H LEU A 40 4.678 -16.259 6.482 1.00 0.00 H new ATOM 0 HA LEU A 40 3.315 -14.603 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.719 -13.546 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.093 -14.034 5.475 1.00 0.00 H new ATOM 0 HG LEU A 40 5.401 -11.713 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.190 -11.985 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.392 -13.113 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.771 -13.699 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.214 -11.311 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.784 -13.022 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.997 -11.957 5.488 1.00 0.00 H new ATOM 627 N ILE A 41 4.657 -15.575 2.582 1.00 0.00 N ATOM 628 CA ILE A 41 5.366 -16.241 1.496 1.00 0.00 C ATOM 629 C ILE A 41 6.027 -15.216 0.581 1.00 0.00 C ATOM 630 O ILE A 41 5.567 -14.080 0.470 1.00 0.00 O ATOM 631 CB ILE A 41 4.395 -17.101 0.686 1.00 0.00 C ATOM 632 CG1 ILE A 41 3.608 -18.007 1.636 1.00 0.00 C ATOM 633 CG2 ILE A 41 5.181 -17.962 -0.305 1.00 0.00 C ATOM 634 CD1 ILE A 41 2.572 -18.803 0.841 1.00 0.00 C ATOM 0 H ILE A 41 3.857 -15.015 2.288 1.00 0.00 H new ATOM 0 HA ILE A 41 6.138 -16.877 1.928 1.00 0.00 H new ATOM 0 HB ILE A 41 3.705 -16.457 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.286 -18.686 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.113 -17.408 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.489 -18.575 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.745 -17.318 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.870 -18.607 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.012 -19.448 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.887 -18.115 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.078 -19.414 0.093 1.00 0.00 H new ATOM 646 N PHE A 42 7.113 -15.624 -0.069 1.00 0.00 N ATOM 647 CA PHE A 42 7.831 -14.731 -0.970 1.00 0.00 C ATOM 648 C PHE A 42 7.825 -15.282 -2.393 1.00 0.00 C ATOM 649 O PHE A 42 8.307 -16.387 -2.643 1.00 0.00 O ATOM 650 CB PHE A 42 9.274 -14.558 -0.492 1.00 0.00 C ATOM 651 CG PHE A 42 9.298 -14.452 1.013 1.00 0.00 C ATOM 652 CD1 PHE A 42 9.254 -15.611 1.797 1.00 0.00 C ATOM 653 CD2 PHE A 42 9.365 -13.195 1.626 1.00 0.00 C ATOM 654 CE1 PHE A 42 9.277 -15.514 3.193 1.00 0.00 C ATOM 655 CE2 PHE A 42 9.387 -13.098 3.022 1.00 0.00 C ATOM 656 CZ PHE A 42 9.344 -14.257 3.806 1.00 0.00 C ATOM 0 H PHE A 42 7.512 -16.559 0.011 1.00 0.00 H new ATOM 0 HA PHE A 42 7.329 -13.764 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.880 -15.404 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.711 -13.664 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.202 -16.581 1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.400 -12.301 1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.243 -16.409 3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.437 -12.128 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.363 -14.182 4.883 1.00 0.00 H new ATOM 666 N GLU A 43 7.280 -14.502 -3.320 1.00 0.00 N ATOM 667 CA GLU A 43 7.219 -14.918 -4.716 1.00 0.00 C ATOM 668 C GLU A 43 7.859 -13.863 -5.612 1.00 0.00 C ATOM 669 O GLU A 43 7.503 -12.687 -5.552 1.00 0.00 O ATOM 670 CB GLU A 43 5.763 -15.133 -5.135 1.00 0.00 C ATOM 671 CG GLU A 43 5.470 -16.633 -5.212 1.00 0.00 C ATOM 672 CD GLU A 43 3.964 -16.873 -5.163 1.00 0.00 C ATOM 673 OE1 GLU A 43 3.227 -15.902 -5.220 1.00 0.00 O ATOM 674 OE2 GLU A 43 3.570 -18.024 -5.069 1.00 0.00 O ATOM 0 H GLU A 43 6.877 -13.584 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 43 7.767 -15.854 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.093 -14.657 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.579 -14.666 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.883 -17.046 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.956 -17.150 -4.385 1.00 0.00 H new ATOM 681 N ASP A 44 8.806 -14.291 -6.439 1.00 0.00 N ATOM 682 CA ASP A 44 9.492 -13.371 -7.340 1.00 0.00 C ATOM 683 C ASP A 44 8.736 -13.241 -8.658 1.00 0.00 C ATOM 684 O ASP A 44 8.154 -14.209 -9.150 1.00 0.00 O ATOM 685 CB ASP A 44 10.912 -13.868 -7.610 1.00 0.00 C ATOM 686 CG ASP A 44 10.866 -15.195 -8.361 1.00 0.00 C ATOM 687 OD1 ASP A 44 10.226 -16.110 -7.868 1.00 0.00 O ATOM 688 OD2 ASP A 44 11.470 -15.277 -9.418 1.00 0.00 O ATOM 0 H ASP A 44 9.115 -15.261 -6.505 1.00 0.00 H new ATOM 0 HA ASP A 44 9.534 -12.392 -6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.460 -13.129 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.448 -13.992 -6.669 1.00 0.00 H new ATOM 693 N GLY A 45 8.752 -12.040 -9.226 1.00 0.00 N ATOM 694 CA GLY A 45 8.067 -11.793 -10.490 1.00 0.00 C ATOM 695 C GLY A 45 6.694 -11.175 -10.256 1.00 0.00 C ATOM 696 O GLY A 45 5.921 -10.985 -11.195 1.00 0.00 O ATOM 0 H GLY A 45 9.228 -11.227 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.668 -11.128 -11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.960 -12.729 -11.038 1.00 0.00 H new ATOM 700 N LEU A 46 6.396 -10.864 -8.999 1.00 0.00 N ATOM 701 CA LEU A 46 5.111 -10.268 -8.655 1.00 0.00 C ATOM 702 C LEU A 46 5.091 -8.786 -9.014 1.00 0.00 C ATOM 703 O LEU A 46 6.137 -8.141 -9.093 1.00 0.00 O ATOM 704 CB LEU A 46 4.842 -10.436 -7.159 1.00 0.00 C ATOM 705 CG LEU A 46 4.021 -11.706 -6.927 1.00 0.00 C ATOM 706 CD1 LEU A 46 4.037 -12.057 -5.438 1.00 0.00 C ATOM 707 CD2 LEU A 46 2.578 -11.471 -7.382 1.00 0.00 C ATOM 0 H LEU A 46 7.022 -11.013 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 46 4.333 -10.777 -9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.784 -10.495 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.305 -9.568 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 46 4.452 -12.528 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.452 -12.962 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.064 -12.224 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.606 -11.236 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.993 -12.376 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.146 -10.650 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.567 -11.220 -8.443 1.00 0.00 H new ATOM 719 N THR A 47 3.893 -8.251 -9.230 1.00 0.00 N ATOM 720 CA THR A 47 3.749 -6.843 -9.581 1.00 0.00 C ATOM 721 C THR A 47 3.500 -5.996 -8.334 1.00 0.00 C ATOM 722 O THR A 47 4.314 -5.143 -7.981 1.00 0.00 O ATOM 723 CB THR A 47 2.592 -6.667 -10.567 1.00 0.00 C ATOM 724 OG1 THR A 47 1.768 -7.823 -10.540 1.00 0.00 O ATOM 725 CG2 THR A 47 3.150 -6.472 -11.979 1.00 0.00 C ATOM 0 H THR A 47 3.015 -8.766 -9.169 1.00 0.00 H new ATOM 0 HA THR A 47 4.676 -6.508 -10.047 1.00 0.00 H new ATOM 0 HB THR A 47 2.004 -5.794 -10.285 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.026 -7.710 -11.170 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.326 -6.347 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.784 -5.585 -12.001 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.738 -7.345 -12.262 1.00 0.00 H new ATOM 733 N PRO A 48 2.399 -6.217 -7.664 1.00 0.00 N ATOM 734 CA PRO A 48 2.043 -5.461 -6.429 1.00 0.00 C ATOM 735 C PRO A 48 3.072 -5.668 -5.321 1.00 0.00 C ATOM 736 O PRO A 48 4.068 -6.364 -5.510 1.00 0.00 O ATOM 737 CB PRO A 48 0.676 -6.022 -6.020 1.00 0.00 C ATOM 738 CG PRO A 48 0.539 -7.325 -6.738 1.00 0.00 C ATOM 739 CD PRO A 48 1.374 -7.212 -8.010 1.00 0.00 C ATOM 0 HA PRO A 48 2.020 -4.385 -6.604 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.618 -6.162 -4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.126 -5.337 -6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.890 -8.149 -6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.505 -7.528 -6.977 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.820 -8.168 -8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.771 -6.888 -8.858 1.00 0.00 H new ATOM 747 N ASP A 49 2.824 -5.060 -4.163 1.00 0.00 N ATOM 748 CA ASP A 49 3.741 -5.191 -3.037 1.00 0.00 C ATOM 749 C ASP A 49 3.251 -6.263 -2.069 1.00 0.00 C ATOM 750 O ASP A 49 4.049 -6.956 -1.437 1.00 0.00 O ATOM 751 CB ASP A 49 3.866 -3.853 -2.305 1.00 0.00 C ATOM 752 CG ASP A 49 5.049 -3.065 -2.859 1.00 0.00 C ATOM 753 OD1 ASP A 49 5.396 -3.285 -4.007 1.00 0.00 O ATOM 754 OD2 ASP A 49 5.590 -2.253 -2.126 1.00 0.00 O ATOM 0 H ASP A 49 2.006 -4.479 -3.982 1.00 0.00 H new ATOM 0 HA ASP A 49 4.718 -5.485 -3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.948 -3.277 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.000 -4.024 -1.237 1.00 0.00 H new ATOM 759 N PHE A 50 1.933 -6.397 -1.958 1.00 0.00 N ATOM 760 CA PHE A 50 1.346 -7.391 -1.065 1.00 0.00 C ATOM 761 C PHE A 50 0.038 -7.921 -1.645 1.00 0.00 C ATOM 762 O PHE A 50 -0.869 -7.151 -1.961 1.00 0.00 O ATOM 763 CB PHE A 50 1.088 -6.770 0.310 1.00 0.00 C ATOM 764 CG PHE A 50 2.266 -7.041 1.214 1.00 0.00 C ATOM 765 CD1 PHE A 50 2.461 -8.323 1.743 1.00 0.00 C ATOM 766 CD2 PHE A 50 3.161 -6.011 1.525 1.00 0.00 C ATOM 767 CE1 PHE A 50 3.553 -8.574 2.583 1.00 0.00 C ATOM 768 CE2 PHE A 50 4.253 -6.263 2.366 1.00 0.00 C ATOM 769 CZ PHE A 50 4.448 -7.544 2.895 1.00 0.00 C ATOM 0 H PHE A 50 1.255 -5.834 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 50 2.045 -8.220 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.931 -5.696 0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.179 -7.187 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.770 -9.117 1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.010 -5.022 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.705 -9.563 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.944 -5.469 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.289 -7.738 3.544 1.00 0.00 H new ATOM 779 N TYR A 51 -0.050 -9.240 -1.786 1.00 0.00 N ATOM 780 CA TYR A 51 -1.250 -9.862 -2.335 1.00 0.00 C ATOM 781 C TYR A 51 -2.024 -10.597 -1.244 1.00 0.00 C ATOM 782 O TYR A 51 -1.576 -11.627 -0.741 1.00 0.00 O ATOM 783 CB TYR A 51 -0.865 -10.850 -3.440 1.00 0.00 C ATOM 784 CG TYR A 51 -1.761 -10.648 -4.640 1.00 0.00 C ATOM 785 CD1 TYR A 51 -3.127 -10.399 -4.463 1.00 0.00 C ATOM 786 CD2 TYR A 51 -1.222 -10.710 -5.933 1.00 0.00 C ATOM 787 CE1 TYR A 51 -3.956 -10.213 -5.576 1.00 0.00 C ATOM 788 CE2 TYR A 51 -2.052 -10.524 -7.046 1.00 0.00 C ATOM 789 CZ TYR A 51 -3.418 -10.275 -6.868 1.00 0.00 C ATOM 790 OH TYR A 51 -4.236 -10.092 -7.964 1.00 0.00 O ATOM 0 H TYR A 51 0.689 -9.895 -1.530 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.884 -9.078 -2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.177 -10.705 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.956 -11.873 -3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.542 -10.350 -3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.168 -10.901 -6.071 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.010 -10.022 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.638 -10.573 -8.042 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.705 -10.165 -8.784 1.00 0.00 H new ATOM 800 N LEU A 52 -3.188 -10.064 -0.885 1.00 0.00 N ATOM 801 CA LEU A 52 -4.014 -10.683 0.144 1.00 0.00 C ATOM 802 C LEU A 52 -4.747 -11.896 -0.421 1.00 0.00 C ATOM 803 O LEU A 52 -4.815 -12.946 0.218 1.00 0.00 O ATOM 804 CB LEU A 52 -5.031 -9.673 0.681 1.00 0.00 C ATOM 805 CG LEU A 52 -5.125 -9.802 2.201 1.00 0.00 C ATOM 806 CD1 LEU A 52 -6.089 -8.747 2.748 1.00 0.00 C ATOM 807 CD2 LEU A 52 -5.641 -11.197 2.562 1.00 0.00 C ATOM 0 H LEU A 52 -3.577 -9.212 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.366 -11.008 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.732 -8.661 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.007 -9.849 0.230 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.138 -9.652 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.154 -8.841 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.724 -7.753 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.076 -8.895 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.709 -11.291 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.628 -11.345 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.955 -11.950 2.175 1.00 0.00 H new ATOM 819 N SER A 53 -5.293 -11.743 -1.623 1.00 0.00 N ATOM 820 CA SER A 53 -6.016 -12.830 -2.269 1.00 0.00 C ATOM 821 C SER A 53 -6.181 -12.554 -3.760 1.00 0.00 C ATOM 822 O SER A 53 -6.201 -11.399 -4.189 1.00 0.00 O ATOM 823 CB SER A 53 -7.392 -12.997 -1.627 1.00 0.00 C ATOM 824 OG SER A 53 -7.343 -12.532 -0.284 1.00 0.00 O ATOM 0 H SER A 53 -5.249 -10.881 -2.166 1.00 0.00 H new ATOM 0 HA SER A 53 -5.441 -13.747 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.139 -12.438 -2.190 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.692 -14.045 -1.651 1.00 0.00 H new ATOM 0 HG SER A 53 -8.225 -12.637 0.131 1.00 0.00 H new ATOM 830 N ASN A 54 -6.298 -13.621 -4.545 1.00 0.00 N ATOM 831 CA ASN A 54 -6.460 -13.484 -5.987 1.00 0.00 C ATOM 832 C ASN A 54 -7.708 -12.670 -6.315 1.00 0.00 C ATOM 833 O ASN A 54 -8.696 -13.206 -6.817 1.00 0.00 O ATOM 834 CB ASN A 54 -6.565 -14.867 -6.629 1.00 0.00 C ATOM 835 CG ASN A 54 -5.171 -15.408 -6.926 1.00 0.00 C ATOM 836 OD1 ASN A 54 -4.541 -16.012 -6.058 1.00 0.00 O ATOM 837 ND2 ASN A 54 -4.649 -15.224 -8.108 1.00 0.00 N ATOM 0 H ASN A 54 -6.284 -14.584 -4.209 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.590 -12.962 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.094 -15.548 -5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.145 -14.807 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.716 -15.581 -8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.174 -14.723 -8.825 1.00 0.00 H new ATOM 844 N ARG A 55 -7.656 -11.373 -6.028 1.00 0.00 N ATOM 845 CA ARG A 55 -8.789 -10.493 -6.296 1.00 0.00 C ATOM 846 C ARG A 55 -8.532 -9.098 -5.733 1.00 0.00 C ATOM 847 O ARG A 55 -9.079 -8.111 -6.222 1.00 0.00 O ATOM 848 CB ARG A 55 -10.061 -11.068 -5.667 1.00 0.00 C ATOM 849 CG ARG A 55 -11.189 -11.073 -6.700 1.00 0.00 C ATOM 850 CD ARG A 55 -12.535 -11.190 -5.983 1.00 0.00 C ATOM 851 NE ARG A 55 -13.597 -11.470 -6.942 1.00 0.00 N ATOM 852 CZ ARG A 55 -14.135 -10.500 -7.675 1.00 0.00 C ATOM 853 NH1 ARG A 55 -13.705 -9.275 -7.550 1.00 0.00 N ATOM 854 NH2 ARG A 55 -15.092 -10.774 -8.519 1.00 0.00 N ATOM 0 H ARG A 55 -6.847 -10.910 -5.613 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.917 -10.421 -7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.876 -12.081 -5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.351 -10.474 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.158 -10.158 -7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.060 -11.905 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.490 -11.984 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.752 -10.265 -5.450 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.933 -12.427 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.957 -9.062 -6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.117 -8.530 -8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.427 -11.732 -8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.505 -10.030 -9.081 1.00 0.00 H new ATOM 868 N CYS A 56 -7.699 -9.029 -4.701 1.00 0.00 N ATOM 869 CA CYS A 56 -7.377 -7.751 -4.075 1.00 0.00 C ATOM 870 C CYS A 56 -5.901 -7.697 -3.701 1.00 0.00 C ATOM 871 O CYS A 56 -5.371 -8.624 -3.089 1.00 0.00 O ATOM 872 CB CYS A 56 -8.230 -7.556 -2.821 1.00 0.00 C ATOM 873 SG CYS A 56 -9.887 -7.007 -3.297 1.00 0.00 S ATOM 0 H CYS A 56 -7.237 -9.836 -4.282 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.590 -6.954 -4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.291 -8.489 -2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.766 -6.820 -2.164 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.875 -5.724 -3.508 1.00 0.00 H new ATOM 879 N CYS A 57 -5.240 -6.605 -4.072 1.00 0.00 N ATOM 880 CA CYS A 57 -3.824 -6.443 -3.768 1.00 0.00 C ATOM 881 C CYS A 57 -3.594 -5.180 -2.945 1.00 0.00 C ATOM 882 O CYS A 57 -4.523 -4.410 -2.698 1.00 0.00 O ATOM 883 CB CYS A 57 -3.016 -6.365 -5.064 1.00 0.00 C ATOM 884 SG CYS A 57 -4.016 -5.573 -6.349 1.00 0.00 S ATOM 0 H CYS A 57 -5.659 -5.825 -4.579 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.496 -7.306 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.099 -5.799 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.721 -7.365 -5.382 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.330 -5.503 -7.451 1.00 0.00 H new ATOM 890 N ILE A 58 -2.351 -4.972 -2.523 1.00 0.00 N ATOM 891 CA ILE A 58 -2.012 -3.797 -1.730 1.00 0.00 C ATOM 892 C ILE A 58 -0.681 -3.209 -2.184 1.00 0.00 C ATOM 893 O ILE A 58 0.310 -3.925 -2.323 1.00 0.00 O ATOM 894 CB ILE A 58 -1.922 -4.169 -0.251 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.281 -4.683 0.231 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.529 -2.934 0.561 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.181 -5.077 1.706 1.00 0.00 C ATOM 0 H ILE A 58 -1.568 -5.596 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.796 -3.053 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.171 -4.948 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.041 -3.913 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.590 -5.541 -0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.464 -3.198 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.561 -2.566 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.281 -2.156 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.148 -5.443 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.433 -5.861 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.891 -4.208 2.296 1.00 0.00 H new ATOM 909 N LEU A 59 -0.667 -1.900 -2.411 1.00 0.00 N ATOM 910 CA LEU A 59 0.547 -1.221 -2.846 1.00 0.00 C ATOM 911 C LEU A 59 1.061 -0.297 -1.748 1.00 0.00 C ATOM 912 O LEU A 59 0.300 0.483 -1.173 1.00 0.00 O ATOM 913 CB LEU A 59 0.267 -0.410 -4.112 1.00 0.00 C ATOM 914 CG LEU A 59 1.571 0.204 -4.622 1.00 0.00 C ATOM 915 CD1 LEU A 59 2.436 -0.887 -5.256 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.255 1.274 -5.670 1.00 0.00 C ATOM 0 H LEU A 59 -1.478 -1.291 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 59 1.307 -1.972 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.170 -1.051 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.459 0.375 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 59 2.109 0.657 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.366 -0.449 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.661 -1.651 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.898 -1.340 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.184 1.712 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.717 0.820 -6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.638 2.052 -5.221 1.00 0.00 H new ATOM 928 N TYR A 60 2.355 -0.388 -1.460 1.00 0.00 N ATOM 929 CA TYR A 60 2.958 0.446 -0.426 1.00 0.00 C ATOM 930 C TYR A 60 3.702 1.621 -1.052 1.00 0.00 C ATOM 931 O TYR A 60 4.604 1.433 -1.868 1.00 0.00 O ATOM 932 CB TYR A 60 3.926 -0.386 0.416 1.00 0.00 C ATOM 933 CG TYR A 60 4.375 0.420 1.611 1.00 0.00 C ATOM 934 CD1 TYR A 60 5.460 1.297 1.494 1.00 0.00 C ATOM 935 CD2 TYR A 60 3.709 0.290 2.835 1.00 0.00 C ATOM 936 CE1 TYR A 60 5.878 2.045 2.601 1.00 0.00 C ATOM 937 CE2 TYR A 60 4.127 1.037 3.942 1.00 0.00 C ATOM 938 CZ TYR A 60 5.212 1.915 3.825 1.00 0.00 C ATOM 939 OH TYR A 60 5.624 2.651 4.917 1.00 0.00 O ATOM 0 H TYR A 60 3.002 -1.025 -1.924 1.00 0.00 H new ATOM 0 HA TYR A 60 2.164 0.834 0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.441 -1.305 0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.788 -0.678 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.975 1.396 0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.872 -0.387 2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.714 2.722 2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.613 0.937 4.887 1.00 0.00 H new ATOM 0 HH TYR A 60 6.303 3.300 4.637 1.00 0.00 H new ATOM 949 N VAL A 61 3.318 2.833 -0.663 1.00 0.00 N ATOM 950 CA VAL A 61 3.954 4.034 -1.191 1.00 0.00 C ATOM 951 C VAL A 61 4.631 4.818 -0.069 1.00 0.00 C ATOM 952 O VAL A 61 4.151 4.835 1.064 1.00 0.00 O ATOM 953 CB VAL A 61 2.911 4.917 -1.877 1.00 0.00 C ATOM 954 CG1 VAL A 61 3.587 6.173 -2.429 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.259 4.139 -3.026 1.00 0.00 C ATOM 0 H VAL A 61 2.574 3.009 0.012 1.00 0.00 H new ATOM 0 HA VAL A 61 4.710 3.735 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 61 2.148 5.205 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.843 6.802 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.049 6.726 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.351 5.887 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.515 4.768 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.022 3.850 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.775 3.245 -2.632 1.00 0.00 H new ATOM 965 N THR A 62 5.747 5.463 -0.393 1.00 0.00 N ATOM 966 CA THR A 62 6.482 6.243 0.597 1.00 0.00 C ATOM 967 C THR A 62 6.598 7.699 0.158 1.00 0.00 C ATOM 968 O THR A 62 6.784 7.988 -1.023 1.00 0.00 O ATOM 969 CB THR A 62 7.882 5.656 0.791 1.00 0.00 C ATOM 970 OG1 THR A 62 8.851 6.682 0.624 1.00 0.00 O ATOM 971 CG2 THR A 62 8.121 4.553 -0.241 1.00 0.00 C ATOM 0 H THR A 62 6.160 5.462 -1.326 1.00 0.00 H new ATOM 0 HA THR A 62 5.935 6.202 1.539 1.00 0.00 H new ATOM 0 HB THR A 62 7.966 5.237 1.794 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.748 6.308 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.118 4.135 -0.103 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.377 3.767 -0.112 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.038 4.970 -1.245 1.00 0.00 H new ATOM 979 N GLU A 63 6.488 8.611 1.118 1.00 0.00 N ATOM 980 CA GLU A 63 6.583 10.036 0.819 1.00 0.00 C ATOM 981 C GLU A 63 7.652 10.290 -0.239 1.00 0.00 C ATOM 982 O GLU A 63 7.487 11.145 -1.109 1.00 0.00 O ATOM 983 CB GLU A 63 6.926 10.816 2.090 1.00 0.00 C ATOM 984 CG GLU A 63 7.047 12.304 1.758 1.00 0.00 C ATOM 985 CD GLU A 63 8.516 12.704 1.679 1.00 0.00 C ATOM 986 OE1 GLU A 63 9.240 12.077 0.924 1.00 0.00 O ATOM 987 OE2 GLU A 63 8.895 13.632 2.374 1.00 0.00 O ATOM 0 H GLU A 63 6.334 8.392 2.102 1.00 0.00 H new ATOM 0 HA GLU A 63 5.620 10.373 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.153 10.662 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.861 10.450 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.553 12.515 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.541 12.897 2.520 1.00 0.00 H new ATOM 994 N ALA A 64 8.748 9.543 -0.158 1.00 0.00 N ATOM 995 CA ALA A 64 9.837 9.696 -1.116 1.00 0.00 C ATOM 996 C ALA A 64 9.302 9.662 -2.545 1.00 0.00 C ATOM 997 O ALA A 64 9.757 10.416 -3.406 1.00 0.00 O ATOM 998 CB ALA A 64 10.862 8.577 -0.925 1.00 0.00 C ATOM 0 H ALA A 64 8.905 8.831 0.555 1.00 0.00 H new ATOM 0 HA ALA A 64 10.316 10.660 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.672 8.699 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.265 8.622 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.380 7.612 -1.081 1.00 0.00 H new ATOM 1004 N ASP A 65 8.337 8.783 -2.789 1.00 0.00 N ATOM 1005 CA ASP A 65 7.747 8.659 -4.117 1.00 0.00 C ATOM 1006 C ASP A 65 6.952 9.913 -4.468 1.00 0.00 C ATOM 1007 O ASP A 65 7.001 10.394 -5.600 1.00 0.00 O ATOM 1008 CB ASP A 65 6.827 7.438 -4.169 1.00 0.00 C ATOM 1009 CG ASP A 65 7.162 6.583 -5.387 1.00 0.00 C ATOM 1010 OD1 ASP A 65 7.545 7.151 -6.397 1.00 0.00 O ATOM 1011 OD2 ASP A 65 7.031 5.374 -5.292 1.00 0.00 O ATOM 0 H ASP A 65 7.948 8.150 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 65 8.552 8.537 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.939 6.849 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.786 7.758 -4.215 1.00 0.00 H new ATOM 1016 N LEU A 66 6.221 10.440 -3.490 1.00 0.00 N ATOM 1017 CA LEU A 66 5.421 11.640 -3.707 1.00 0.00 C ATOM 1018 C LEU A 66 6.303 12.791 -4.181 1.00 0.00 C ATOM 1019 O LEU A 66 5.901 13.585 -5.030 1.00 0.00 O ATOM 1020 CB LEU A 66 4.714 12.041 -2.411 1.00 0.00 C ATOM 1021 CG LEU A 66 4.200 13.477 -2.531 1.00 0.00 C ATOM 1022 CD1 LEU A 66 2.810 13.579 -1.906 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.156 14.422 -1.800 1.00 0.00 C ATOM 0 H LEU A 66 6.166 10.058 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 66 4.677 11.423 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.885 11.362 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.402 11.959 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 66 4.145 13.754 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.446 14.603 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.127 12.906 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.863 13.301 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.791 15.446 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.211 14.142 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.148 14.352 -2.246 1.00 0.00 H new ATOM 1035 N VAL A 67 7.506 12.872 -3.626 1.00 0.00 N ATOM 1036 CA VAL A 67 8.438 13.930 -3.999 1.00 0.00 C ATOM 1037 C VAL A 67 8.482 14.088 -5.514 1.00 0.00 C ATOM 1038 O VAL A 67 8.971 15.095 -6.030 1.00 0.00 O ATOM 1039 CB VAL A 67 9.837 13.603 -3.475 1.00 0.00 C ATOM 1040 CG1 VAL A 67 10.844 14.608 -4.039 1.00 0.00 C ATOM 1041 CG2 VAL A 67 9.841 13.684 -1.947 1.00 0.00 C ATOM 0 H VAL A 67 7.858 12.224 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 67 8.097 14.866 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 67 10.114 12.596 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.841 14.374 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.843 14.552 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.567 15.615 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.838 13.451 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.563 14.691 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.125 12.968 -1.543 1.00 0.00 H new ATOM 1051 N ALA A 68 7.965 13.090 -6.224 1.00 0.00 N ATOM 1052 CA ALA A 68 7.947 13.130 -7.682 1.00 0.00 C ATOM 1053 C ALA A 68 6.520 13.300 -8.193 1.00 0.00 C ATOM 1054 O ALA A 68 6.218 14.243 -8.923 1.00 0.00 O ATOM 1055 CB ALA A 68 8.545 11.841 -8.249 1.00 0.00 C ATOM 0 H ALA A 68 7.556 12.249 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 68 8.544 13.980 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.527 11.880 -9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.574 11.736 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.960 10.987 -7.907 1.00 0.00 H new ATOM 1061 N GLY A 69 5.644 12.380 -7.801 1.00 0.00 N ATOM 1062 CA GLY A 69 4.248 12.436 -8.222 1.00 0.00 C ATOM 1063 C GLY A 69 4.138 12.672 -9.724 1.00 0.00 C ATOM 1064 O GLY A 69 3.132 13.190 -10.208 1.00 0.00 O ATOM 0 H GLY A 69 5.874 11.591 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.748 11.504 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.735 13.235 -7.686 1.00 0.00 H new ATOM 1068 N ASN A 70 5.178 12.289 -10.458 1.00 0.00 N ATOM 1069 CA ASN A 70 5.182 12.463 -11.906 1.00 0.00 C ATOM 1070 C ASN A 70 6.128 11.465 -12.565 1.00 0.00 C ATOM 1071 O ASN A 70 6.882 11.816 -13.471 1.00 0.00 O ATOM 1072 CB ASN A 70 5.617 13.886 -12.259 1.00 0.00 C ATOM 1073 CG ASN A 70 4.613 14.891 -11.707 1.00 0.00 C ATOM 1074 OD1 ASN A 70 3.439 14.866 -12.078 1.00 0.00 O ATOM 1075 ND2 ASN A 70 5.007 15.782 -10.839 1.00 0.00 N ATOM 0 H ASN A 70 6.022 11.860 -10.078 1.00 0.00 H new ATOM 0 HA ASN A 70 4.172 12.287 -12.275 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.607 14.085 -11.848 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.694 13.994 -13.341 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.342 16.460 -10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.980 15.801 -10.533 1.00 0.00 H new ATOM 1082 N GLY A 71 6.083 10.219 -12.105 1.00 0.00 N ATOM 1083 CA GLY A 71 6.943 9.182 -12.661 1.00 0.00 C ATOM 1084 C GLY A 71 6.491 7.794 -12.219 1.00 0.00 C ATOM 1085 O GLY A 71 6.547 6.839 -12.993 1.00 0.00 O ATOM 0 H GLY A 71 5.466 9.905 -11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.932 9.241 -13.749 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.972 9.350 -12.343 1.00 0.00 H new ATOM 1089 N TYR A 72 6.046 7.688 -10.971 1.00 0.00 N ATOM 1090 CA TYR A 72 5.591 6.406 -10.442 1.00 0.00 C ATOM 1091 C TYR A 72 4.147 6.132 -10.848 1.00 0.00 C ATOM 1092 O TYR A 72 3.721 4.979 -10.920 1.00 0.00 O ATOM 1093 CB TYR A 72 5.704 6.399 -8.917 1.00 0.00 C ATOM 1094 CG TYR A 72 5.661 4.974 -8.419 1.00 0.00 C ATOM 1095 CD1 TYR A 72 6.710 4.096 -8.719 1.00 0.00 C ATOM 1096 CD2 TYR A 72 4.574 4.530 -7.656 1.00 0.00 C ATOM 1097 CE1 TYR A 72 6.671 2.775 -8.257 1.00 0.00 C ATOM 1098 CE2 TYR A 72 4.535 3.209 -7.195 1.00 0.00 C ATOM 1099 CZ TYR A 72 5.584 2.331 -7.495 1.00 0.00 C ATOM 1100 OH TYR A 72 5.544 1.028 -7.041 1.00 0.00 O ATOM 0 H TYR A 72 5.991 8.465 -10.313 1.00 0.00 H new ATOM 0 HA TYR A 72 6.225 5.623 -10.858 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.634 6.876 -8.608 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.889 6.974 -8.478 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.549 4.438 -9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.765 5.207 -7.423 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.480 2.098 -8.489 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.696 2.867 -6.608 1.00 0.00 H new ATOM 0 HH TYR A 72 4.861 0.946 -6.343 1.00 0.00 H new ATOM 1110 N ARG A 73 3.395 7.196 -11.113 1.00 0.00 N ATOM 1111 CA ARG A 73 1.999 7.049 -11.510 1.00 0.00 C ATOM 1112 C ARG A 73 1.856 5.957 -12.564 1.00 0.00 C ATOM 1113 O ARG A 73 0.845 5.256 -12.611 1.00 0.00 O ATOM 1114 CB ARG A 73 1.468 8.372 -12.066 1.00 0.00 C ATOM 1115 CG ARG A 73 -0.016 8.219 -12.408 1.00 0.00 C ATOM 1116 CD ARG A 73 -0.592 9.576 -12.813 1.00 0.00 C ATOM 1117 NE ARG A 73 0.483 10.490 -13.185 1.00 0.00 N ATOM 1118 CZ ARG A 73 0.240 11.576 -13.911 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -0.976 11.842 -14.302 1.00 0.00 N ATOM 1120 NH2 ARG A 73 1.218 12.379 -14.233 1.00 0.00 N ATOM 0 H ARG A 73 3.724 8.160 -11.061 1.00 0.00 H new ATOM 0 HA ARG A 73 1.419 6.769 -10.631 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.604 9.168 -11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.030 8.658 -12.955 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.140 7.503 -13.220 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.559 7.824 -11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.279 9.452 -13.650 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.167 9.996 -11.988 1.00 0.00 H new ATOM 0 HE ARG A 73 1.437 10.292 -12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.741 11.216 -14.050 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.162 12.676 -14.859 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.169 12.173 -13.927 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.031 13.213 -14.790 1.00 0.00 H new ATOM 1134 N LYS A 74 2.874 5.817 -13.408 1.00 0.00 N ATOM 1135 CA LYS A 74 2.849 4.805 -14.458 1.00 0.00 C ATOM 1136 C LYS A 74 2.894 3.405 -13.851 1.00 0.00 C ATOM 1137 O LYS A 74 2.406 2.445 -14.447 1.00 0.00 O ATOM 1138 CB LYS A 74 4.040 4.997 -15.398 1.00 0.00 C ATOM 1139 CG LYS A 74 3.565 5.650 -16.698 1.00 0.00 C ATOM 1140 CD LYS A 74 4.777 6.097 -17.520 1.00 0.00 C ATOM 1141 CE LYS A 74 4.894 5.229 -18.774 1.00 0.00 C ATOM 1142 NZ LYS A 74 4.715 3.796 -18.406 1.00 0.00 N ATOM 0 H LYS A 74 3.720 6.387 -13.386 1.00 0.00 H new ATOM 0 HA LYS A 74 1.923 4.915 -15.022 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.796 5.620 -14.921 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.507 4.036 -15.611 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.963 4.945 -17.272 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.928 6.506 -16.475 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.673 7.145 -17.799 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.685 6.015 -16.922 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.141 5.524 -19.505 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.868 5.376 -19.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.148 3.194 -19.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.172 3.613 -17.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.700 3.580 -18.336 1.00 0.00 H new ATOM 1156 N ARG A 75 3.482 3.299 -12.663 1.00 0.00 N ATOM 1157 CA ARG A 75 3.583 2.011 -11.986 1.00 0.00 C ATOM 1158 C ARG A 75 2.242 1.631 -11.366 1.00 0.00 C ATOM 1159 O ARG A 75 1.883 0.455 -11.312 1.00 0.00 O ATOM 1160 CB ARG A 75 4.653 2.078 -10.894 1.00 0.00 C ATOM 1161 CG ARG A 75 5.623 0.903 -11.049 1.00 0.00 C ATOM 1162 CD ARG A 75 6.365 1.024 -12.382 1.00 0.00 C ATOM 1163 NE ARG A 75 6.010 -0.085 -13.260 1.00 0.00 N ATOM 1164 CZ ARG A 75 6.755 -1.184 -13.318 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.825 -1.286 -12.578 1.00 0.00 N ATOM 1166 NH2 ARG A 75 6.418 -2.161 -14.114 1.00 0.00 N ATOM 0 H ARG A 75 3.892 4.082 -12.153 1.00 0.00 H new ATOM 0 HA ARG A 75 3.861 1.254 -12.719 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.195 3.021 -10.960 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.185 2.048 -9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.335 0.895 -10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.078 -0.040 -11.009 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.115 1.971 -12.861 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.441 1.029 -12.208 1.00 0.00 H new ATOM 0 HE ARG A 75 5.174 -0.016 -13.841 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.089 -0.522 -11.955 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.397 -2.129 -12.622 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.582 -2.082 -14.693 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.991 -3.004 -14.158 1.00 0.00 H new ATOM 1180 N LEU A 76 1.506 2.635 -10.902 1.00 0.00 N ATOM 1181 CA LEU A 76 0.206 2.397 -10.288 1.00 0.00 C ATOM 1182 C LEU A 76 -0.775 1.835 -11.311 1.00 0.00 C ATOM 1183 O LEU A 76 -1.586 0.965 -10.996 1.00 0.00 O ATOM 1184 CB LEU A 76 -0.347 3.703 -9.713 1.00 0.00 C ATOM 1185 CG LEU A 76 0.283 3.965 -8.344 1.00 0.00 C ATOM 1186 CD1 LEU A 76 0.778 5.411 -8.276 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -0.762 3.734 -7.251 1.00 0.00 C ATOM 0 H LEU A 76 1.785 3.615 -10.939 1.00 0.00 H new ATOM 0 HA LEU A 76 0.332 1.671 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.131 4.530 -10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.431 3.642 -9.620 1.00 0.00 H new ATOM 0 HG LEU A 76 1.123 3.287 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.227 5.596 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.522 5.578 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.061 6.090 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.315 3.920 -6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.602 4.413 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.116 2.704 -7.297 1.00 0.00 H new ATOM 1199 N VAL A 77 -0.693 2.337 -12.539 1.00 0.00 N ATOM 1200 CA VAL A 77 -1.578 1.876 -13.603 1.00 0.00 C ATOM 1201 C VAL A 77 -1.359 0.391 -13.874 1.00 0.00 C ATOM 1202 O VAL A 77 -2.313 -0.359 -14.084 1.00 0.00 O ATOM 1203 CB VAL A 77 -1.311 2.672 -14.883 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -1.995 1.982 -16.065 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -1.867 4.089 -14.730 1.00 0.00 C ATOM 0 H VAL A 77 -0.028 3.058 -12.821 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.609 2.029 -13.286 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.237 2.721 -15.061 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.805 2.549 -16.977 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.599 0.973 -16.176 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.069 1.933 -15.886 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.676 4.655 -15.642 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.941 4.041 -14.550 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.380 4.582 -13.889 1.00 0.00 H new ATOM 1215 N ARG A 78 -0.098 -0.024 -13.868 1.00 0.00 N ATOM 1216 CA ARG A 78 0.242 -1.421 -14.116 1.00 0.00 C ATOM 1217 C ARG A 78 -0.635 -2.350 -13.281 1.00 0.00 C ATOM 1218 O ARG A 78 -0.894 -3.489 -13.669 1.00 0.00 O ATOM 1219 CB ARG A 78 1.712 -1.667 -13.774 1.00 0.00 C ATOM 1220 CG ARG A 78 2.269 -2.772 -14.676 1.00 0.00 C ATOM 1221 CD ARG A 78 2.693 -2.181 -16.023 1.00 0.00 C ATOM 1222 NE ARG A 78 4.132 -2.328 -16.206 1.00 0.00 N ATOM 1223 CZ ARG A 78 4.689 -2.200 -17.406 1.00 0.00 C ATOM 1224 NH1 ARG A 78 3.945 -1.928 -18.444 1.00 0.00 N ATOM 1225 NH2 ARG A 78 5.977 -2.345 -17.546 1.00 0.00 N ATOM 0 H ARG A 78 0.703 0.583 -13.695 1.00 0.00 H new ATOM 0 HA ARG A 78 0.070 -1.632 -15.171 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.286 -0.750 -13.908 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.810 -1.954 -12.727 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.122 -3.251 -14.195 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.514 -3.544 -14.829 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.163 -2.683 -16.832 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.419 -1.127 -16.069 1.00 0.00 H new ATOM 0 HE ARG A 78 4.721 -2.533 -15.399 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.937 -1.814 -18.333 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.371 -1.830 -19.365 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.558 -2.557 -16.735 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.404 -2.247 -18.467 1.00 0.00 H new ATOM 1239 N VAL A 79 -1.082 -1.861 -12.129 1.00 0.00 N ATOM 1240 CA VAL A 79 -1.922 -2.662 -11.245 1.00 0.00 C ATOM 1241 C VAL A 79 -3.316 -2.845 -11.838 1.00 0.00 C ATOM 1242 O VAL A 79 -3.992 -3.837 -11.560 1.00 0.00 O ATOM 1243 CB VAL A 79 -2.033 -1.989 -9.877 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -2.646 -2.968 -8.876 1.00 0.00 C ATOM 1245 CG2 VAL A 79 -0.640 -1.575 -9.397 1.00 0.00 C ATOM 0 H VAL A 79 -0.879 -0.922 -11.787 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.459 -3.642 -11.133 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.667 -1.106 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.725 -2.489 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.638 -3.263 -9.217 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.012 -3.851 -8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.719 -1.095 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.006 -2.458 -9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.202 -0.877 -10.110 1.00 0.00 H new ATOM 1255 N ARG A 80 -3.742 -1.884 -12.648 1.00 0.00 N ATOM 1256 CA ARG A 80 -5.062 -1.952 -13.266 1.00 0.00 C ATOM 1257 C ARG A 80 -5.048 -2.894 -14.466 1.00 0.00 C ATOM 1258 O ARG A 80 -5.920 -3.752 -14.603 1.00 0.00 O ATOM 1259 CB ARG A 80 -5.499 -0.558 -13.716 1.00 0.00 C ATOM 1260 CG ARG A 80 -6.606 -0.685 -14.765 1.00 0.00 C ATOM 1261 CD ARG A 80 -7.512 0.543 -14.699 1.00 0.00 C ATOM 1262 NE ARG A 80 -8.656 0.279 -13.833 1.00 0.00 N ATOM 1263 CZ ARG A 80 -9.617 1.182 -13.676 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -9.543 2.327 -14.296 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -10.634 0.924 -12.898 1.00 0.00 N ATOM 0 H ARG A 80 -3.199 -1.055 -12.891 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.767 -2.335 -12.528 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.857 0.016 -12.861 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.650 -0.015 -14.131 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.170 -0.776 -15.760 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.188 -1.590 -14.588 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.951 1.398 -14.322 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.857 0.804 -15.700 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.719 -0.612 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.747 2.529 -14.901 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.281 3.021 -14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.690 0.029 -12.411 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.372 1.617 -12.777 1.00 0.00 H new ATOM 1279 N ASN A 81 -4.057 -2.726 -15.333 1.00 0.00 N ATOM 1280 CA ASN A 81 -3.943 -3.566 -16.521 1.00 0.00 C ATOM 1281 C ASN A 81 -4.024 -5.043 -16.149 1.00 0.00 C ATOM 1282 O ASN A 81 -4.786 -5.802 -16.747 1.00 0.00 O ATOM 1283 CB ASN A 81 -2.617 -3.289 -17.231 1.00 0.00 C ATOM 1284 CG ASN A 81 -2.419 -4.282 -18.370 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -2.536 -5.491 -18.170 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -2.123 -3.841 -19.562 1.00 0.00 N ATOM 0 H ASN A 81 -3.325 -2.022 -15.238 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.771 -3.328 -17.189 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.609 -2.271 -17.620 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.792 -3.366 -16.522 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.988 -4.498 -20.330 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.027 -2.839 -19.726 1.00 0.00 H new ATOM 1293 N SER A 82 -3.230 -5.445 -15.161 1.00 0.00 N ATOM 1294 CA SER A 82 -3.218 -6.836 -14.722 1.00 0.00 C ATOM 1295 C SER A 82 -4.608 -7.452 -14.846 1.00 0.00 C ATOM 1296 O SER A 82 -4.825 -8.358 -15.651 1.00 0.00 O ATOM 1297 CB SER A 82 -2.748 -6.922 -13.270 1.00 0.00 C ATOM 1298 OG SER A 82 -2.158 -8.195 -13.043 1.00 0.00 O ATOM 0 H SER A 82 -2.592 -4.833 -14.653 1.00 0.00 H new ATOM 0 HA SER A 82 -2.530 -7.391 -15.360 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.027 -6.132 -13.061 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.590 -6.772 -12.594 1.00 0.00 H new ATOM 0 HG SER A 82 -1.854 -8.253 -12.113 1.00 0.00 H new ATOM 1304 N ASN A 83 -5.545 -6.959 -14.044 1.00 0.00 N ATOM 1305 CA ASN A 83 -6.909 -7.474 -14.074 1.00 0.00 C ATOM 1306 C ASN A 83 -7.890 -6.426 -13.562 1.00 0.00 C ATOM 1307 O ASN A 83 -7.748 -5.237 -13.845 1.00 0.00 O ATOM 1308 CB ASN A 83 -7.009 -8.732 -13.210 1.00 0.00 C ATOM 1309 CG ASN A 83 -8.119 -9.635 -13.734 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -8.220 -9.852 -15.017 1.00 0.00 O flip ATOM 1311 ND2 ASN A 83 -8.916 -10.157 -12.955 1.00 0.00 N flip ATOM 0 H ASN A 83 -5.387 -6.210 -13.370 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.162 -7.718 -15.106 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.059 -9.266 -13.219 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.210 -8.457 -12.175 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.836 -9.986 -11.953 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.657 -10.760 -13.312 1.00 0.00 H new ATOM 1318 N ASN A 84 -8.887 -6.877 -12.807 1.00 0.00 N ATOM 1319 CA ASN A 84 -9.888 -5.970 -12.260 1.00 0.00 C ATOM 1320 C ASN A 84 -10.048 -6.190 -10.758 1.00 0.00 C ATOM 1321 O ASN A 84 -11.154 -6.416 -10.267 1.00 0.00 O ATOM 1322 CB ASN A 84 -11.232 -6.193 -12.958 1.00 0.00 C ATOM 1323 CG ASN A 84 -11.038 -6.185 -14.471 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -10.170 -5.478 -14.983 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -11.799 -6.935 -15.222 1.00 0.00 N ATOM 0 H ASN A 84 -9.022 -7.858 -12.562 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.556 -4.946 -12.431 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.662 -7.144 -12.643 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.936 -5.413 -12.669 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.675 -6.936 -16.234 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.518 -7.520 -14.796 1.00 0.00 H new ATOM 1332 N LEU A 85 -8.935 -6.121 -10.034 1.00 0.00 N ATOM 1333 CA LEU A 85 -8.960 -6.312 -8.588 1.00 0.00 C ATOM 1334 C LEU A 85 -8.926 -4.968 -7.871 1.00 0.00 C ATOM 1335 O LEU A 85 -8.216 -4.052 -8.283 1.00 0.00 O ATOM 1336 CB LEU A 85 -7.760 -7.154 -8.147 1.00 0.00 C ATOM 1337 CG LEU A 85 -6.578 -6.895 -9.084 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -6.106 -5.449 -8.923 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -5.434 -7.848 -8.732 1.00 0.00 C ATOM 0 H LEU A 85 -8.010 -5.935 -10.422 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.883 -6.831 -8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.486 -6.905 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.021 -8.212 -8.159 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.887 -7.062 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.264 -5.265 -9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.922 -4.770 -9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.795 -5.280 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.591 -7.666 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.125 -7.680 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.771 -8.878 -8.846 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.697 -4.859 -6.795 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.746 -3.621 -6.028 1.00 0.00 C ATOM 1353 C LYS A 86 -8.747 -3.667 -4.876 1.00 0.00 C ATOM 1354 O LYS A 86 -9.082 -4.086 -3.768 1.00 0.00 O ATOM 1355 CB LYS A 86 -11.157 -3.403 -5.478 1.00 0.00 C ATOM 1356 CG LYS A 86 -11.869 -4.751 -5.348 1.00 0.00 C ATOM 1357 CD LYS A 86 -13.090 -4.598 -4.439 1.00 0.00 C ATOM 1358 CE LYS A 86 -13.945 -5.865 -4.512 1.00 0.00 C ATOM 1359 NZ LYS A 86 -15.219 -5.565 -5.224 1.00 0.00 N ATOM 0 H LYS A 86 -10.292 -5.606 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.484 -2.794 -6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.108 -2.911 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.719 -2.745 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.177 -5.108 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.188 -5.496 -4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.772 -4.421 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.678 -3.732 -4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.402 -6.653 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.155 -6.233 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.800 -6.426 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.739 -4.826 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.009 -5.233 -6.187 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.519 -3.233 -5.147 1.00 0.00 N ATOM 1374 CA GLY A 87 -6.479 -3.231 -4.125 1.00 0.00 C ATOM 1375 C GLY A 87 -6.549 -1.966 -3.278 1.00 0.00 C ATOM 1376 O GLY A 87 -7.398 -1.104 -3.501 1.00 0.00 O ATOM 0 H GLY A 87 -7.222 -2.881 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.590 -4.107 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.499 -3.303 -4.598 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.648 -1.863 -2.306 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.614 -0.700 -1.429 1.00 0.00 C ATOM 1382 C ILE A 88 -4.253 -0.016 -1.505 1.00 0.00 C ATOM 1383 O ILE A 88 -3.235 -0.595 -1.128 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.893 -1.127 0.013 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -7.268 -1.793 0.089 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -5.871 0.102 0.923 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -7.338 -2.682 1.332 1.00 0.00 C ATOM 0 H ILE A 88 -4.936 -2.566 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.381 0.003 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.128 -1.832 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.049 -1.034 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.445 -2.388 -0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.070 -0.202 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.892 0.578 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.636 0.808 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.318 -3.156 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.566 -3.450 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -7.180 -2.075 2.223 1.00 0.00 H new ATOM 1399 N VAL A 89 -4.242 1.219 -1.996 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.998 1.970 -2.117 1.00 0.00 C ATOM 1401 C VAL A 89 -2.667 2.675 -0.805 1.00 0.00 C ATOM 1402 O VAL A 89 -3.341 3.629 -0.416 1.00 0.00 O ATOM 1403 CB VAL A 89 -3.119 3.002 -3.239 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -1.727 3.348 -3.767 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -3.966 2.422 -4.374 1.00 0.00 C ATOM 0 H VAL A 89 -5.073 1.718 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.195 1.272 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.595 3.904 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.814 4.084 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.123 3.760 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.250 2.447 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.053 3.156 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.490 1.520 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.959 2.176 -3.998 1.00 0.00 H new ATOM 1415 N VAL A 90 -1.627 2.198 -0.128 1.00 0.00 N ATOM 1416 CA VAL A 90 -1.214 2.789 1.140 1.00 0.00 C ATOM 1417 C VAL A 90 -0.106 3.815 0.920 1.00 0.00 C ATOM 1418 O VAL A 90 0.741 3.650 0.042 1.00 0.00 O ATOM 1419 CB VAL A 90 -0.721 1.695 2.089 1.00 0.00 C ATOM 1420 CG1 VAL A 90 -0.525 2.278 3.491 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -1.757 0.568 2.144 1.00 0.00 C ATOM 0 H VAL A 90 -1.058 1.409 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.074 3.292 1.582 1.00 0.00 H new ATOM 0 HB VAL A 90 0.229 1.302 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.174 1.496 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.211 3.081 3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.473 2.673 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.409 -0.214 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.706 0.964 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.894 0.151 1.146 1.00 0.00 H new ATOM 1431 N VAL A 91 -0.118 4.875 1.724 1.00 0.00 N ATOM 1432 CA VAL A 91 0.891 5.923 1.610 1.00 0.00 C ATOM 1433 C VAL A 91 1.451 6.279 2.984 1.00 0.00 C ATOM 1434 O VAL A 91 0.721 6.298 3.975 1.00 0.00 O ATOM 1435 CB VAL A 91 0.278 7.167 0.965 1.00 0.00 C ATOM 1436 CG1 VAL A 91 1.170 8.379 1.238 1.00 0.00 C ATOM 1437 CG2 VAL A 91 0.161 6.951 -0.545 1.00 0.00 C ATOM 0 H VAL A 91 -0.810 5.030 2.457 1.00 0.00 H new ATOM 0 HA VAL A 91 1.705 5.554 0.985 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.711 7.344 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.732 9.264 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.255 8.533 2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.160 8.204 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.276 7.837 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.151 6.774 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.476 6.088 -0.741 1.00 0.00 H new ATOM 1447 N GLU A 92 2.751 6.558 3.037 1.00 0.00 N ATOM 1448 CA GLU A 92 3.396 6.908 4.299 1.00 0.00 C ATOM 1449 C GLU A 92 3.653 8.409 4.376 1.00 0.00 C ATOM 1450 O GLU A 92 4.215 9.000 3.456 1.00 0.00 O ATOM 1451 CB GLU A 92 4.720 6.153 4.438 1.00 0.00 C ATOM 1452 CG GLU A 92 4.910 5.721 5.894 1.00 0.00 C ATOM 1453 CD GLU A 92 6.395 5.556 6.201 1.00 0.00 C ATOM 1454 OE1 GLU A 92 7.082 6.562 6.262 1.00 0.00 O ATOM 1455 OE2 GLU A 92 6.822 4.426 6.371 1.00 0.00 O ATOM 0 H GLU A 92 3.373 6.549 2.229 1.00 0.00 H new ATOM 0 HA GLU A 92 2.729 6.625 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.724 5.280 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.548 6.789 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.473 6.463 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.387 4.782 6.074 1.00 0.00 H new ATOM 1462 N LYS A 93 3.242 9.018 5.485 1.00 0.00 N ATOM 1463 CA LYS A 93 3.438 10.450 5.675 1.00 0.00 C ATOM 1464 C LYS A 93 4.840 10.728 6.207 1.00 0.00 C ATOM 1465 O LYS A 93 5.289 10.092 7.161 1.00 0.00 O ATOM 1466 CB LYS A 93 2.398 10.992 6.658 1.00 0.00 C ATOM 1467 CG LYS A 93 1.055 10.307 6.406 1.00 0.00 C ATOM 1468 CD LYS A 93 -0.084 11.269 6.748 1.00 0.00 C ATOM 1469 CE LYS A 93 -0.529 12.004 5.482 1.00 0.00 C ATOM 1470 NZ LYS A 93 -1.096 11.023 4.514 1.00 0.00 N ATOM 0 H LYS A 93 2.775 8.546 6.259 1.00 0.00 H new ATOM 0 HA LYS A 93 3.320 10.948 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.723 10.814 7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.296 12.071 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.983 9.998 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.976 9.404 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.922 10.719 7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.245 11.986 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.275 12.760 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.317 12.526 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.461 11.528 3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.353 10.358 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.871 10.497 4.966 1.00 0.00 H new ATOM 1484 N THR A 94 5.529 11.678 5.584 1.00 0.00 N ATOM 1485 CA THR A 94 6.881 12.024 6.005 1.00 0.00 C ATOM 1486 C THR A 94 7.055 13.538 6.074 1.00 0.00 C ATOM 1487 O THR A 94 6.912 14.141 7.137 1.00 0.00 O ATOM 1488 CB THR A 94 7.900 11.432 5.029 1.00 0.00 C ATOM 1489 OG1 THR A 94 7.597 10.062 4.805 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.305 11.557 5.617 1.00 0.00 C ATOM 0 H THR A 94 5.177 12.218 4.793 1.00 0.00 H new ATOM 0 HA THR A 94 7.047 11.609 6.999 1.00 0.00 H new ATOM 0 HB THR A 94 7.856 11.973 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.390 9.604 4.456 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.030 11.135 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.536 12.609 5.788 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.353 11.017 6.563 1.00 0.00 H new ATOM 1498 N ARG A 95 7.363 14.145 4.933 1.00 0.00 N ATOM 1499 CA ARG A 95 7.554 15.591 4.877 1.00 0.00 C ATOM 1500 C ARG A 95 6.763 16.192 3.719 1.00 0.00 C ATOM 1501 O ARG A 95 5.780 16.903 3.930 1.00 0.00 O ATOM 1502 CB ARG A 95 9.039 15.916 4.701 1.00 0.00 C ATOM 1503 CG ARG A 95 9.778 15.661 6.016 1.00 0.00 C ATOM 1504 CD ARG A 95 11.285 15.701 5.768 1.00 0.00 C ATOM 1505 NE ARG A 95 11.630 16.845 4.933 1.00 0.00 N ATOM 1506 CZ ARG A 95 12.895 17.203 4.743 1.00 0.00 C ATOM 1507 NH1 ARG A 95 13.857 16.525 5.310 1.00 0.00 N ATOM 1508 NH2 ARG A 95 13.177 18.231 3.991 1.00 0.00 N ATOM 0 H ARG A 95 7.485 13.664 4.042 1.00 0.00 H new ATOM 0 HA ARG A 95 7.195 16.021 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.465 15.302 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.161 16.956 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.500 16.413 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.491 14.692 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.815 15.763 6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.605 14.779 5.283 1.00 0.00 H new ATOM 0 HE ARG A 95 10.886 17.381 4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.637 15.721 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.829 16.799 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 95 12.426 18.761 3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.149 18.505 3.846 1.00 0.00 H new ATOM 1522 N MET A 96 7.199 15.900 2.498 1.00 0.00 N ATOM 1523 CA MET A 96 6.525 16.417 1.313 1.00 0.00 C ATOM 1524 C MET A 96 5.174 15.736 1.126 1.00 0.00 C ATOM 1525 O MET A 96 4.376 16.140 0.281 1.00 0.00 O ATOM 1526 CB MET A 96 7.390 16.176 0.074 1.00 0.00 C ATOM 1527 CG MET A 96 8.309 17.378 -0.149 1.00 0.00 C ATOM 1528 SD MET A 96 9.529 17.461 1.186 1.00 0.00 S ATOM 1529 CE MET A 96 9.473 19.253 1.433 1.00 0.00 C ATOM 0 H MET A 96 8.010 15.313 2.304 1.00 0.00 H new ATOM 0 HA MET A 96 6.367 17.487 1.447 1.00 0.00 H new ATOM 0 HB2 MET A 96 7.983 15.270 0.202 1.00 0.00 H new ATOM 0 HB3 MET A 96 6.757 16.022 -0.800 1.00 0.00 H new ATOM 0 HG2 MET A 96 8.813 17.290 -1.112 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.723 18.297 -0.178 1.00 0.00 H new ATOM 0 HE1 MET A 96 10.164 19.532 2.229 1.00 0.00 H new ATOM 0 HE2 MET A 96 9.760 19.757 0.510 1.00 0.00 H new ATOM 0 HE3 MET A 96 8.462 19.551 1.709 1.00 0.00 H new ATOM 1539 N SER A 97 4.927 14.697 1.916 1.00 0.00 N ATOM 1540 CA SER A 97 3.671 13.962 1.822 1.00 0.00 C ATOM 1541 C SER A 97 2.486 14.871 2.136 1.00 0.00 C ATOM 1542 O SER A 97 1.951 15.539 1.252 1.00 0.00 O ATOM 1543 CB SER A 97 3.680 12.783 2.794 1.00 0.00 C ATOM 1544 OG SER A 97 3.979 13.253 4.102 1.00 0.00 O ATOM 0 H SER A 97 5.574 14.347 2.623 1.00 0.00 H new ATOM 0 HA SER A 97 3.569 13.593 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.711 12.284 2.787 1.00 0.00 H new ATOM 0 HB3 SER A 97 4.420 12.046 2.482 1.00 0.00 H new ATOM 0 HG SER A 97 4.328 14.167 4.049 1.00 0.00 H new ATOM 1550 N GLU A 98 2.078 14.882 3.400 1.00 0.00 N ATOM 1551 CA GLU A 98 0.948 15.700 3.827 1.00 0.00 C ATOM 1552 C GLU A 98 0.914 17.031 3.078 1.00 0.00 C ATOM 1553 O GLU A 98 -0.148 17.632 2.915 1.00 0.00 O ATOM 1554 CB GLU A 98 1.035 15.964 5.331 1.00 0.00 C ATOM 1555 CG GLU A 98 2.331 16.714 5.644 1.00 0.00 C ATOM 1556 CD GLU A 98 2.787 16.398 7.065 1.00 0.00 C ATOM 1557 OE1 GLU A 98 1.950 16.005 7.861 1.00 0.00 O ATOM 1558 OE2 GLU A 98 3.966 16.555 7.336 1.00 0.00 O ATOM 0 H GLU A 98 2.511 14.336 4.145 1.00 0.00 H new ATOM 0 HA GLU A 98 0.033 15.153 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.176 16.549 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.006 15.022 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.106 16.429 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.176 17.787 5.533 1.00 0.00 H new ATOM 1565 N GLN A 99 2.078 17.491 2.632 1.00 0.00 N ATOM 1566 CA GLN A 99 2.155 18.759 1.911 1.00 0.00 C ATOM 1567 C GLN A 99 1.526 18.638 0.527 1.00 0.00 C ATOM 1568 O GLN A 99 0.632 19.405 0.171 1.00 0.00 O ATOM 1569 CB GLN A 99 3.615 19.189 1.767 1.00 0.00 C ATOM 1570 CG GLN A 99 4.162 19.601 3.133 1.00 0.00 C ATOM 1571 CD GLN A 99 5.593 20.108 2.993 1.00 0.00 C ATOM 1572 OE1 GLN A 99 6.508 19.569 3.617 1.00 0.00 O ATOM 1573 NE2 GLN A 99 5.844 21.118 2.205 1.00 0.00 N ATOM 0 H GLN A 99 2.971 17.013 2.754 1.00 0.00 H new ATOM 0 HA GLN A 99 1.605 19.507 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.208 18.371 1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.693 20.020 1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.533 20.379 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.134 18.752 3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.085 21.563 1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.799 21.462 2.105 1.00 0.00 H new ATOM 1582 N TYR A 100 2.006 17.675 -0.251 1.00 0.00 N ATOM 1583 CA TYR A 100 1.490 17.468 -1.600 1.00 0.00 C ATOM 1584 C TYR A 100 0.800 16.114 -1.714 1.00 0.00 C ATOM 1585 O TYR A 100 0.503 15.651 -2.815 1.00 0.00 O ATOM 1586 CB TYR A 100 2.635 17.546 -2.610 1.00 0.00 C ATOM 1587 CG TYR A 100 2.124 18.129 -3.904 1.00 0.00 C ATOM 1588 CD1 TYR A 100 1.881 19.504 -4.004 1.00 0.00 C ATOM 1589 CD2 TYR A 100 1.895 17.296 -5.005 1.00 0.00 C ATOM 1590 CE1 TYR A 100 1.408 20.045 -5.207 1.00 0.00 C ATOM 1591 CE2 TYR A 100 1.423 17.836 -6.206 1.00 0.00 C ATOM 1592 CZ TYR A 100 1.180 19.212 -6.306 1.00 0.00 C ATOM 1593 OH TYR A 100 0.716 19.745 -7.491 1.00 0.00 O ATOM 0 H TYR A 100 2.746 17.029 0.025 1.00 0.00 H new ATOM 0 HA TYR A 100 0.760 18.249 -1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.442 18.163 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.049 16.553 -2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.058 20.147 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.083 16.235 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.220 21.106 -5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.246 17.193 -7.055 1.00 0.00 H new ATOM 0 HH TYR A 100 0.612 19.030 -8.153 1.00 0.00 H new ATOM 1603 N PHE A 101 0.548 15.484 -0.573 1.00 0.00 N ATOM 1604 CA PHE A 101 -0.108 14.184 -0.561 1.00 0.00 C ATOM 1605 C PHE A 101 -1.560 14.308 -1.022 1.00 0.00 C ATOM 1606 O PHE A 101 -2.094 13.404 -1.663 1.00 0.00 O ATOM 1607 CB PHE A 101 -0.052 13.579 0.847 1.00 0.00 C ATOM 1608 CG PHE A 101 -1.220 12.642 1.044 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -1.485 11.646 0.097 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -2.037 12.771 2.173 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -2.569 10.778 0.279 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -3.120 11.904 2.355 1.00 0.00 C ATOM 1613 CZ PHE A 101 -3.386 10.907 1.409 1.00 0.00 C ATOM 0 H PHE A 101 0.786 15.849 0.349 1.00 0.00 H new ATOM 0 HA PHE A 101 0.418 13.526 -1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.886 13.041 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.078 14.371 1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.854 11.547 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.832 13.540 2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.775 10.010 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.751 12.004 3.226 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.221 10.237 1.551 1.00 0.00 H new ATOM 1623 N PRO A 102 -2.200 15.405 -0.710 1.00 0.00 N ATOM 1624 CA PRO A 102 -3.619 15.647 -1.103 1.00 0.00 C ATOM 1625 C PRO A 102 -3.785 15.723 -2.619 1.00 0.00 C ATOM 1626 O PRO A 102 -4.578 14.987 -3.204 1.00 0.00 O ATOM 1627 CB PRO A 102 -3.973 16.990 -0.449 1.00 0.00 C ATOM 1628 CG PRO A 102 -2.895 17.260 0.550 1.00 0.00 C ATOM 1629 CD PRO A 102 -1.651 16.536 0.048 1.00 0.00 C ATOM 0 HA PRO A 102 -4.270 14.835 -0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.023 17.785 -1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.949 16.943 0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.711 18.330 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.182 16.900 1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.037 17.181 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.021 16.200 0.872 1.00 0.00 H new ATOM 1637 N ALA A 103 -3.026 16.617 -3.246 1.00 0.00 N ATOM 1638 CA ALA A 103 -3.095 16.779 -4.693 1.00 0.00 C ATOM 1639 C ALA A 103 -2.981 15.426 -5.387 1.00 0.00 C ATOM 1640 O ALA A 103 -3.631 15.181 -6.403 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.969 17.697 -5.172 1.00 0.00 C ATOM 0 H ALA A 103 -2.362 17.235 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.057 17.225 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.029 17.812 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.069 18.673 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.006 17.261 -4.906 1.00 0.00 H new ATOM 1647 N LEU A 104 -2.151 14.548 -4.830 1.00 0.00 N ATOM 1648 CA LEU A 104 -1.962 13.221 -5.402 1.00 0.00 C ATOM 1649 C LEU A 104 -3.187 12.349 -5.143 1.00 0.00 C ATOM 1650 O LEU A 104 -3.628 11.606 -6.020 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.722 12.560 -4.790 1.00 0.00 C ATOM 1652 CG LEU A 104 0.278 12.217 -5.896 1.00 0.00 C ATOM 1653 CD1 LEU A 104 1.632 11.874 -5.271 1.00 0.00 C ATOM 1654 CD2 LEU A 104 -0.234 11.015 -6.691 1.00 0.00 C ATOM 0 H LEU A 104 -1.603 14.731 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.824 13.324 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.261 13.231 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.008 11.656 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 104 0.391 13.073 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.345 11.630 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.998 12.730 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.519 11.018 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.478 10.770 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.347 10.160 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.199 11.258 -7.136 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.733 12.449 -3.936 1.00 0.00 N ATOM 1667 CA GLN A 105 -4.911 11.668 -3.576 1.00 0.00 C ATOM 1668 C GLN A 105 -6.083 12.030 -4.481 1.00 0.00 C ATOM 1669 O GLN A 105 -6.932 11.191 -4.781 1.00 0.00 O ATOM 1670 CB GLN A 105 -5.288 11.928 -2.115 1.00 0.00 C ATOM 1671 CG GLN A 105 -6.410 10.974 -1.698 1.00 0.00 C ATOM 1672 CD GLN A 105 -7.686 11.760 -1.418 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -8.364 12.261 -2.413 1.00 0.00 O flip ATOM 1674 NE2 GLN A 105 -8.076 11.919 -0.261 1.00 0.00 N flip ATOM 0 H GLN A 105 -3.383 13.057 -3.196 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.678 10.611 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.418 11.786 -1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.610 12.962 -1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.589 10.243 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.114 10.417 -0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.544 11.526 0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.931 12.444 -0.079 1.00 0.00 H new ATOM 1683 N LYS A 106 -6.117 13.286 -4.917 1.00 0.00 N ATOM 1684 CA LYS A 106 -7.186 13.751 -5.794 1.00 0.00 C ATOM 1685 C LYS A 106 -7.032 13.140 -7.183 1.00 0.00 C ATOM 1686 O LYS A 106 -7.998 12.646 -7.765 1.00 0.00 O ATOM 1687 CB LYS A 106 -7.150 15.278 -5.894 1.00 0.00 C ATOM 1688 CG LYS A 106 -8.406 15.775 -6.613 1.00 0.00 C ATOM 1689 CD LYS A 106 -9.459 16.191 -5.583 1.00 0.00 C ATOM 1690 CE LYS A 106 -9.359 17.697 -5.326 1.00 0.00 C ATOM 1691 NZ LYS A 106 -7.931 18.118 -5.380 1.00 0.00 N ATOM 0 H LYS A 106 -5.423 13.995 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.143 13.440 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.091 15.716 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.259 15.596 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.159 16.620 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.803 14.990 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.456 15.939 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.309 15.642 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.938 18.243 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.784 17.939 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.840 19.085 -5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.356 17.471 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.598 18.092 -6.365 1.00 0.00 H new ATOM 1705 N PHE A 107 -5.810 13.173 -7.705 1.00 0.00 N ATOM 1706 CA PHE A 107 -5.538 12.615 -9.024 1.00 0.00 C ATOM 1707 C PHE A 107 -5.524 11.091 -8.964 1.00 0.00 C ATOM 1708 O PHE A 107 -6.177 10.424 -9.767 1.00 0.00 O ATOM 1709 CB PHE A 107 -4.188 13.121 -9.540 1.00 0.00 C ATOM 1710 CG PHE A 107 -4.415 14.172 -10.600 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -4.798 15.467 -10.230 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -4.242 13.853 -11.952 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -5.009 16.442 -11.212 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -4.454 14.828 -12.934 1.00 0.00 C ATOM 1715 CZ PHE A 107 -4.837 16.122 -12.564 1.00 0.00 C ATOM 0 H PHE A 107 -4.998 13.577 -7.238 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.327 12.935 -9.704 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.606 13.538 -8.718 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.611 12.293 -9.952 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.931 15.714 -9.187 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.945 12.855 -12.238 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.304 17.441 -10.927 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -4.322 14.581 -13.977 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.000 16.874 -13.322 1.00 0.00 H new ATOM 1725 N THR A 108 -4.782 10.547 -8.004 1.00 0.00 N ATOM 1726 CA THR A 108 -4.699 9.100 -7.848 1.00 0.00 C ATOM 1727 C THR A 108 -6.082 8.474 -7.981 1.00 0.00 C ATOM 1728 O THR A 108 -6.232 7.385 -8.536 1.00 0.00 O ATOM 1729 CB THR A 108 -4.107 8.754 -6.480 1.00 0.00 C ATOM 1730 OG1 THR A 108 -2.834 9.370 -6.346 1.00 0.00 O ATOM 1731 CG2 THR A 108 -3.956 7.237 -6.357 1.00 0.00 C ATOM 0 H THR A 108 -4.235 11.081 -7.329 1.00 0.00 H new ATOM 0 HA THR A 108 -4.053 8.702 -8.631 1.00 0.00 H new ATOM 0 HB THR A 108 -4.771 9.117 -5.695 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.949 10.337 -6.233 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.534 6.991 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.933 6.765 -6.459 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.293 6.873 -7.142 1.00 0.00 H new ATOM 1739 N VAL A 109 -7.091 9.175 -7.474 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.461 8.685 -7.547 1.00 0.00 C ATOM 1741 C VAL A 109 -8.963 8.737 -8.986 1.00 0.00 C ATOM 1742 O VAL A 109 -9.423 7.736 -9.533 1.00 0.00 O ATOM 1743 CB VAL A 109 -9.367 9.532 -6.646 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -10.789 9.555 -7.210 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -9.391 8.928 -5.239 1.00 0.00 C ATOM 0 H VAL A 109 -6.986 10.078 -7.011 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.484 7.651 -7.204 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.980 10.550 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.427 10.159 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.776 9.985 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.179 8.538 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.035 9.529 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.775 7.909 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.380 8.916 -4.831 1.00 0.00 H new ATOM 1755 N LEU A 110 -8.867 9.912 -9.599 1.00 0.00 N ATOM 1756 CA LEU A 110 -9.312 10.080 -10.976 1.00 0.00 C ATOM 1757 C LEU A 110 -8.436 9.269 -11.925 1.00 0.00 C ATOM 1758 O LEU A 110 -8.862 8.902 -13.019 1.00 0.00 O ATOM 1759 CB LEU A 110 -9.252 11.559 -11.366 1.00 0.00 C ATOM 1760 CG LEU A 110 -10.447 12.296 -10.759 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -9.972 13.609 -10.133 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -11.470 12.594 -11.858 1.00 0.00 C ATOM 0 H LEU A 110 -8.488 10.755 -9.168 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.339 9.723 -11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.321 12.002 -11.013 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.262 11.661 -12.451 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.908 11.675 -9.991 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.823 14.135 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.242 13.397 -9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.512 14.232 -10.900 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -12.323 13.119 -11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -11.009 13.217 -12.625 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.807 11.659 -12.304 1.00 0.00 H new ATOM 1774 N ASP A 111 -7.206 8.999 -11.500 1.00 0.00 N ATOM 1775 CA ASP A 111 -6.272 8.238 -12.322 1.00 0.00 C ATOM 1776 C ASP A 111 -6.476 6.735 -12.148 1.00 0.00 C ATOM 1777 O ASP A 111 -6.628 6.005 -13.128 1.00 0.00 O ATOM 1778 CB ASP A 111 -4.835 8.602 -11.950 1.00 0.00 C ATOM 1779 CG ASP A 111 -3.859 7.717 -12.720 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -4.181 7.350 -13.839 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -2.807 7.421 -12.181 1.00 0.00 O ATOM 0 H ASP A 111 -6.834 9.294 -10.597 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.460 8.492 -13.365 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.646 9.651 -12.178 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.685 8.477 -10.878 1.00 0.00 H new ATOM 1786 N LEU A 112 -6.461 6.273 -10.901 1.00 0.00 N ATOM 1787 CA LEU A 112 -6.627 4.849 -10.626 1.00 0.00 C ATOM 1788 C LEU A 112 -8.013 4.546 -10.060 1.00 0.00 C ATOM 1789 O LEU A 112 -8.533 3.444 -10.239 1.00 0.00 O ATOM 1790 CB LEU A 112 -5.560 4.387 -9.633 1.00 0.00 C ATOM 1791 CG LEU A 112 -4.410 3.723 -10.393 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -4.909 2.441 -11.065 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -3.885 4.688 -11.459 1.00 0.00 C ATOM 0 H LEU A 112 -6.337 6.856 -10.073 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.518 4.311 -11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.189 5.237 -9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.992 3.685 -8.919 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.609 3.475 -9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.088 1.970 -11.606 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.284 1.755 -10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.710 2.684 -11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.065 4.218 -12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.688 4.934 -12.154 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.528 5.600 -10.980 1.00 0.00 H new ATOM 1805 N GLY A 113 -8.604 5.518 -9.375 1.00 0.00 N ATOM 1806 CA GLY A 113 -9.926 5.320 -8.790 1.00 0.00 C ATOM 1807 C GLY A 113 -9.943 4.082 -7.901 1.00 0.00 C ATOM 1808 O GLY A 113 -10.885 3.289 -7.941 1.00 0.00 O ATOM 0 H GLY A 113 -8.197 6.439 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.205 6.197 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.667 5.215 -9.582 1.00 0.00 H new ATOM 1812 N MET A 114 -8.897 3.925 -7.098 1.00 0.00 N ATOM 1813 CA MET A 114 -8.797 2.782 -6.198 1.00 0.00 C ATOM 1814 C MET A 114 -8.944 3.234 -4.749 1.00 0.00 C ATOM 1815 O MET A 114 -9.247 4.396 -4.481 1.00 0.00 O ATOM 1816 CB MET A 114 -7.445 2.086 -6.385 1.00 0.00 C ATOM 1817 CG MET A 114 -7.664 0.585 -6.589 1.00 0.00 C ATOM 1818 SD MET A 114 -6.069 -0.228 -6.855 1.00 0.00 S ATOM 1819 CE MET A 114 -6.406 -0.849 -8.522 1.00 0.00 C ATOM 0 H MET A 114 -8.109 4.571 -7.051 1.00 0.00 H new ATOM 0 HA MET A 114 -9.599 2.082 -6.434 1.00 0.00 H new ATOM 0 HB2 MET A 114 -6.923 2.508 -7.244 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.813 2.256 -5.513 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.161 0.158 -5.718 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.318 0.415 -7.444 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.537 -1.394 -8.890 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.268 -1.516 -8.495 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.616 -0.011 -9.187 1.00 0.00 H new ATOM 1829 N VAL A 115 -8.728 2.311 -3.818 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.842 2.633 -2.400 1.00 0.00 C ATOM 1831 C VAL A 115 -7.507 3.130 -1.852 1.00 0.00 C ATOM 1832 O VAL A 115 -6.504 2.419 -1.897 1.00 0.00 O ATOM 1833 CB VAL A 115 -9.289 1.399 -1.615 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -9.802 1.823 -0.237 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -10.410 0.691 -2.379 1.00 0.00 C ATOM 0 H VAL A 115 -8.475 1.343 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.585 3.423 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.444 0.722 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.120 0.942 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -9.005 2.329 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -10.647 2.501 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.731 -0.189 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -11.253 1.371 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.046 0.386 -3.360 1.00 0.00 H new ATOM 1845 N LEU A 116 -7.505 4.354 -1.337 1.00 0.00 N ATOM 1846 CA LEU A 116 -6.289 4.938 -0.782 1.00 0.00 C ATOM 1847 C LEU A 116 -6.400 5.061 0.735 1.00 0.00 C ATOM 1848 O LEU A 116 -7.335 5.673 1.252 1.00 0.00 O ATOM 1849 CB LEU A 116 -6.048 6.320 -1.395 1.00 0.00 C ATOM 1850 CG LEU A 116 -4.568 6.687 -1.264 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -4.266 7.906 -2.137 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -4.252 7.015 0.197 1.00 0.00 C ATOM 0 H LEU A 116 -8.326 4.958 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.450 4.285 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.342 6.320 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.664 7.065 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.955 5.847 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.212 8.168 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.492 7.673 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.879 8.747 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.198 7.277 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.865 7.856 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.468 6.147 0.820 1.00 0.00 H new ATOM 1864 N LEU A 117 -5.440 4.474 1.445 1.00 0.00 N ATOM 1865 CA LEU A 117 -5.442 4.523 2.903 1.00 0.00 C ATOM 1866 C LEU A 117 -4.066 4.929 3.433 1.00 0.00 C ATOM 1867 O LEU A 117 -3.132 4.127 3.427 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.819 3.151 3.466 1.00 0.00 C ATOM 1869 CG LEU A 117 -6.564 3.331 4.789 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -7.141 1.988 5.237 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -5.592 3.848 5.852 1.00 0.00 C ATOM 0 H LEU A 117 -4.657 3.963 1.038 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.173 5.266 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -6.445 2.613 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.923 2.550 3.620 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.375 4.047 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.672 2.117 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.832 1.618 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.331 1.271 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -6.121 3.977 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.782 3.130 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.180 4.805 5.533 1.00 0.00 H new ATOM 1883 N PRO A 118 -3.923 6.149 3.889 1.00 0.00 N ATOM 1884 CA PRO A 118 -2.634 6.659 4.431 1.00 0.00 C ATOM 1885 C PRO A 118 -2.421 6.250 5.888 1.00 0.00 C ATOM 1886 O PRO A 118 -3.376 5.964 6.608 1.00 0.00 O ATOM 1887 CB PRO A 118 -2.777 8.173 4.301 1.00 0.00 C ATOM 1888 CG PRO A 118 -4.243 8.442 4.416 1.00 0.00 C ATOM 1889 CD PRO A 118 -4.972 7.181 3.937 1.00 0.00 C ATOM 0 HA PRO A 118 -1.771 6.257 3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -2.220 8.689 5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.386 8.524 3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -4.512 8.675 5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.525 9.303 3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -5.774 6.901 4.621 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.426 7.332 2.958 1.00 0.00 H new ATOM 1897 N VAL A 119 -1.162 6.228 6.313 1.00 0.00 N ATOM 1898 CA VAL A 119 -0.835 5.855 7.684 1.00 0.00 C ATOM 1899 C VAL A 119 0.095 6.888 8.314 1.00 0.00 C ATOM 1900 O VAL A 119 -0.346 7.954 8.741 1.00 0.00 O ATOM 1901 CB VAL A 119 -0.164 4.480 7.706 1.00 0.00 C ATOM 1902 CG1 VAL A 119 -1.236 3.390 7.763 1.00 0.00 C ATOM 1903 CG2 VAL A 119 0.672 4.303 6.437 1.00 0.00 C ATOM 0 H VAL A 119 -0.357 6.462 5.732 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.760 5.817 8.260 1.00 0.00 H new ATOM 0 HB VAL A 119 0.480 4.403 8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.758 2.410 7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.835 3.516 8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.879 3.466 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.151 3.324 6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 119 0.026 4.379 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.435 5.080 6.393 1.00 0.00 H new ATOM 1913 N ALA A 120 1.384 6.565 8.366 1.00 0.00 N ATOM 1914 CA ALA A 120 2.365 7.477 8.943 1.00 0.00 C ATOM 1915 C ALA A 120 3.742 6.825 8.990 1.00 0.00 C ATOM 1916 O ALA A 120 4.745 7.447 8.636 1.00 0.00 O ATOM 1917 CB ALA A 120 1.940 7.876 10.357 1.00 0.00 C ATOM 0 H ALA A 120 1.770 5.687 8.019 1.00 0.00 H new ATOM 0 HA ALA A 120 2.418 8.366 8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.678 8.557 10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 120 0.969 8.371 10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.869 6.985 10.981 1.00 0.00 H new ATOM 1923 N SER A 121 3.786 5.572 9.430 1.00 0.00 N ATOM 1924 CA SER A 121 5.049 4.850 9.520 1.00 0.00 C ATOM 1925 C SER A 121 4.933 3.483 8.854 1.00 0.00 C ATOM 1926 O SER A 121 3.835 3.023 8.544 1.00 0.00 O ATOM 1927 CB SER A 121 5.447 4.674 10.985 1.00 0.00 C ATOM 1928 OG SER A 121 5.616 5.953 11.582 1.00 0.00 O ATOM 0 H SER A 121 2.969 5.039 9.728 1.00 0.00 H new ATOM 0 HA SER A 121 5.814 5.429 9.004 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.681 4.110 11.517 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.372 4.101 11.056 1.00 0.00 H new ATOM 0 HG SER A 121 5.870 5.844 12.522 1.00 0.00 H new ATOM 1934 N GLN A 122 6.075 2.840 8.637 1.00 0.00 N ATOM 1935 CA GLN A 122 6.093 1.526 8.006 1.00 0.00 C ATOM 1936 C GLN A 122 5.517 0.470 8.945 1.00 0.00 C ATOM 1937 O GLN A 122 5.060 -0.584 8.504 1.00 0.00 O ATOM 1938 CB GLN A 122 7.529 1.151 7.631 1.00 0.00 C ATOM 1939 CG GLN A 122 7.517 0.083 6.535 1.00 0.00 C ATOM 1940 CD GLN A 122 8.860 0.065 5.812 1.00 0.00 C ATOM 1941 OE1 GLN A 122 9.906 -0.069 6.446 1.00 0.00 O ATOM 1942 NE2 GLN A 122 8.892 0.195 4.514 1.00 0.00 N ATOM 0 H GLN A 122 6.994 3.204 8.887 1.00 0.00 H new ATOM 0 HA GLN A 122 5.479 1.566 7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.067 2.034 7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.058 0.779 8.508 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.316 -0.896 6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.715 0.287 5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.023 0.306 3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.786 0.186 4.022 1.00 0.00 H new ATOM 1951 N MET A 123 5.544 0.760 10.241 1.00 0.00 N ATOM 1952 CA MET A 123 5.023 -0.172 11.236 1.00 0.00 C ATOM 1953 C MET A 123 3.498 -0.195 11.206 1.00 0.00 C ATOM 1954 O MET A 123 2.883 -1.260 11.262 1.00 0.00 O ATOM 1955 CB MET A 123 5.502 0.234 12.630 1.00 0.00 C ATOM 1956 CG MET A 123 7.025 0.115 12.703 1.00 0.00 C ATOM 1957 SD MET A 123 7.524 -0.183 14.417 1.00 0.00 S ATOM 1958 CE MET A 123 7.120 -1.946 14.465 1.00 0.00 C ATOM 0 H MET A 123 5.918 1.627 10.626 1.00 0.00 H new ATOM 0 HA MET A 123 5.393 -1.170 11.000 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.196 1.257 12.847 1.00 0.00 H new ATOM 0 HB3 MET A 123 5.041 -0.403 13.384 1.00 0.00 H new ATOM 0 HG2 MET A 123 7.368 -0.700 12.066 1.00 0.00 H new ATOM 0 HG3 MET A 123 7.490 1.028 12.331 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.468 -2.147 15.315 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.611 -2.228 13.543 1.00 0.00 H new ATOM 0 HE3 MET A 123 8.037 -2.527 14.566 1.00 0.00 H new ATOM 1968 N GLU A 124 2.894 0.985 11.119 1.00 0.00 N ATOM 1969 CA GLU A 124 1.440 1.087 11.085 1.00 0.00 C ATOM 1970 C GLU A 124 0.854 0.096 10.084 1.00 0.00 C ATOM 1971 O GLU A 124 0.009 -0.727 10.432 1.00 0.00 O ATOM 1972 CB GLU A 124 1.026 2.509 10.700 1.00 0.00 C ATOM 1973 CG GLU A 124 0.906 3.366 11.960 1.00 0.00 C ATOM 1974 CD GLU A 124 -0.430 3.099 12.646 1.00 0.00 C ATOM 1975 OE1 GLU A 124 -0.497 2.165 13.427 1.00 0.00 O ATOM 1976 OE2 GLU A 124 -1.367 3.834 12.378 1.00 0.00 O ATOM 0 H GLU A 124 3.384 1.878 11.071 1.00 0.00 H new ATOM 0 HA GLU A 124 1.056 0.852 12.077 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.762 2.942 10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.075 2.490 10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.726 3.141 12.642 1.00 0.00 H new ATOM 0 HG3 GLU A 124 0.987 4.422 11.701 1.00 0.00 H new ATOM 1983 N ALA A 125 1.313 0.181 8.841 1.00 0.00 N ATOM 1984 CA ALA A 125 0.833 -0.709 7.793 1.00 0.00 C ATOM 1985 C ALA A 125 1.066 -2.159 8.190 1.00 0.00 C ATOM 1986 O ALA A 125 0.125 -2.944 8.272 1.00 0.00 O ATOM 1987 CB ALA A 125 1.556 -0.414 6.478 1.00 0.00 C ATOM 0 H ALA A 125 2.015 0.855 8.536 1.00 0.00 H new ATOM 0 HA ALA A 125 -0.236 -0.542 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.189 -1.086 5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.368 0.618 6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.627 -0.564 6.610 1.00 0.00 H new ATOM 1993 N SER A 126 2.321 -2.510 8.452 1.00 0.00 N ATOM 1994 CA SER A 126 2.638 -3.872 8.856 1.00 0.00 C ATOM 1995 C SER A 126 1.629 -4.333 9.898 1.00 0.00 C ATOM 1996 O SER A 126 1.224 -5.495 9.921 1.00 0.00 O ATOM 1997 CB SER A 126 4.051 -3.935 9.439 1.00 0.00 C ATOM 1998 OG SER A 126 4.986 -3.541 8.444 1.00 0.00 O ATOM 0 H SER A 126 3.122 -1.881 8.393 1.00 0.00 H new ATOM 0 HA SER A 126 2.591 -4.526 7.985 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.128 -3.280 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.271 -4.946 9.782 1.00 0.00 H new ATOM 0 HG SER A 126 5.047 -2.563 8.421 1.00 0.00 H new ATOM 2004 N CYS A 127 1.218 -3.398 10.748 1.00 0.00 N ATOM 2005 CA CYS A 127 0.242 -3.694 11.785 1.00 0.00 C ATOM 2006 C CYS A 127 -1.171 -3.558 11.226 1.00 0.00 C ATOM 2007 O CYS A 127 -2.088 -4.262 11.650 1.00 0.00 O ATOM 2008 CB CYS A 127 0.423 -2.734 12.963 1.00 0.00 C ATOM 2009 SG CYS A 127 0.311 -3.656 14.517 1.00 0.00 S ATOM 0 H CYS A 127 1.546 -2.432 10.738 1.00 0.00 H new ATOM 0 HA CYS A 127 0.394 -4.717 12.129 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.389 -2.234 12.893 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.341 -1.957 12.933 1.00 0.00 H new ATOM 0 HG CYS A 127 0.467 -2.841 15.517 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.340 -2.646 10.269 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.648 -2.428 9.662 1.00 0.00 C ATOM 2017 C LEU A 128 -3.008 -3.578 8.726 1.00 0.00 C ATOM 2018 O LEU A 128 -4.181 -3.918 8.564 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.648 -1.114 8.878 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.958 -0.371 9.135 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -3.865 1.045 8.563 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -5.108 -1.119 8.457 1.00 0.00 C ATOM 0 H LEU A 128 -0.595 -2.053 9.902 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.390 -2.378 10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.802 -0.497 9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -2.533 -1.313 7.813 1.00 0.00 H new ATOM 0 HG LEU A 128 -4.140 -0.317 10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.800 1.574 8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.045 1.579 9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.683 0.993 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -6.044 -0.590 8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.925 -1.173 7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -5.176 -2.128 8.864 1.00 0.00 H new ATOM 2034 N VAL A 129 -1.993 -4.170 8.114 1.00 0.00 N ATOM 2035 CA VAL A 129 -2.204 -5.281 7.193 1.00 0.00 C ATOM 2036 C VAL A 129 -2.410 -6.582 7.961 1.00 0.00 C ATOM 2037 O VAL A 129 -3.278 -7.384 7.619 1.00 0.00 O ATOM 2038 CB VAL A 129 -0.998 -5.422 6.262 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -1.037 -6.790 5.579 1.00 0.00 C ATOM 2040 CG2 VAL A 129 -1.048 -4.322 5.200 1.00 0.00 C ATOM 0 H VAL A 129 -1.017 -3.902 8.237 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.097 -5.075 6.603 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.078 -5.332 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.178 -6.890 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.006 -7.575 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -1.955 -6.881 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.190 -4.419 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.968 -4.415 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.022 -3.346 5.685 1.00 0.00 H new ATOM 2050 N ILE A 130 -1.607 -6.784 9.000 1.00 0.00 N ATOM 2051 CA ILE A 130 -1.711 -7.992 9.809 1.00 0.00 C ATOM 2052 C ILE A 130 -3.081 -8.077 10.474 1.00 0.00 C ATOM 2053 O ILE A 130 -3.751 -9.107 10.407 1.00 0.00 O ATOM 2054 CB ILE A 130 -0.616 -8.001 10.877 1.00 0.00 C ATOM 2055 CG1 ILE A 130 0.675 -8.553 10.270 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -1.047 -8.883 12.048 1.00 0.00 C ATOM 2057 CD1 ILE A 130 1.848 -8.259 11.206 1.00 0.00 C ATOM 0 H ILE A 130 -0.882 -6.132 9.300 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.586 -8.856 9.157 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.448 -6.985 11.235 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.584 -9.627 10.111 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.853 -8.100 9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.265 -8.887 12.807 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.969 -8.491 12.479 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.215 -9.900 11.695 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.767 -8.653 10.772 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.944 -7.182 11.342 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.671 -8.733 12.172 1.00 0.00 H new ATOM 2069 N GLN A 131 -3.493 -6.987 11.113 1.00 0.00 N ATOM 2070 CA GLN A 131 -4.786 -6.949 11.784 1.00 0.00 C ATOM 2071 C GLN A 131 -5.910 -7.269 10.802 1.00 0.00 C ATOM 2072 O GLN A 131 -6.880 -7.940 11.151 1.00 0.00 O ATOM 2073 CB GLN A 131 -5.018 -5.564 12.392 1.00 0.00 C ATOM 2074 CG GLN A 131 -6.521 -5.321 12.556 1.00 0.00 C ATOM 2075 CD GLN A 131 -6.767 -4.331 13.690 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -6.058 -3.332 13.808 1.00 0.00 O ATOM 2077 NE2 GLN A 131 -7.739 -4.547 14.534 1.00 0.00 N ATOM 0 H GLN A 131 -2.954 -6.124 11.180 1.00 0.00 H new ATOM 0 HA GLN A 131 -4.785 -7.699 12.575 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -4.520 -5.492 13.359 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -4.583 -4.797 11.751 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -6.939 -4.934 11.627 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.029 -6.262 12.767 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -8.326 -5.375 14.435 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -7.912 -3.887 15.293 1.00 0.00 H new ATOM 2086 N LEU A 132 -5.771 -6.780 9.574 1.00 0.00 N ATOM 2087 CA LEU A 132 -6.781 -7.014 8.549 1.00 0.00 C ATOM 2088 C LEU A 132 -7.042 -8.507 8.376 1.00 0.00 C ATOM 2089 O LEU A 132 -8.186 -8.932 8.220 1.00 0.00 O ATOM 2090 CB LEU A 132 -6.319 -6.417 7.216 1.00 0.00 C ATOM 2091 CG LEU A 132 -7.371 -5.431 6.703 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -8.693 -6.168 6.479 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -7.574 -4.317 7.734 1.00 0.00 C ATOM 0 H LEU A 132 -4.974 -6.223 9.266 1.00 0.00 H new ATOM 0 HA LEU A 132 -7.707 -6.532 8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -5.363 -5.910 7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -6.163 -7.211 6.485 1.00 0.00 H new ATOM 0 HG LEU A 132 -7.034 -4.996 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -9.443 -5.467 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -8.548 -6.960 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -9.031 -6.603 7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.323 -3.615 7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -7.911 -4.750 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -6.632 -3.792 7.893 1.00 0.00 H new ATOM 2105 N VAL A 133 -5.975 -9.298 8.405 1.00 0.00 N ATOM 2106 CA VAL A 133 -6.105 -10.742 8.251 1.00 0.00 C ATOM 2107 C VAL A 133 -6.668 -11.369 9.521 1.00 0.00 C ATOM 2108 O VAL A 133 -7.531 -12.245 9.464 1.00 0.00 O ATOM 2109 CB VAL A 133 -4.741 -11.359 7.937 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -4.823 -12.880 8.075 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -4.339 -10.999 6.505 1.00 0.00 C ATOM 0 H VAL A 133 -5.019 -8.967 8.533 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.791 -10.939 7.428 1.00 0.00 H new ATOM 0 HB VAL A 133 -3.998 -10.972 8.634 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.851 -13.319 7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.111 -13.138 9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.566 -13.269 7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.367 -11.438 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -5.083 -11.387 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.280 -9.915 6.405 1.00 0.00 H new ATOM 2121 N GLN A 134 -6.174 -10.913 10.667 1.00 0.00 N ATOM 2122 CA GLN A 134 -6.633 -11.437 11.949 1.00 0.00 C ATOM 2123 C GLN A 134 -8.146 -11.288 12.080 1.00 0.00 C ATOM 2124 O GLN A 134 -8.852 -12.253 12.369 1.00 0.00 O ATOM 2125 CB GLN A 134 -5.944 -10.693 13.093 1.00 0.00 C ATOM 2126 CG GLN A 134 -4.819 -11.560 13.663 1.00 0.00 C ATOM 2127 CD GLN A 134 -3.782 -10.680 14.354 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -2.606 -10.519 13.809 1.00 0.00 O flip ATOM 2129 NE2 GLN A 134 -4.049 -10.124 15.419 1.00 0.00 N flip ATOM 0 H GLN A 134 -5.461 -10.187 10.735 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.379 -12.496 11.999 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.541 -9.746 12.734 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -6.666 -10.457 13.874 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.227 -12.280 14.372 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -4.348 -12.132 12.863 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -4.968 -10.250 15.844 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -3.352 -9.537 15.877 1.00 0.00 H new ATOM 2138 N GLU A 135 -8.636 -10.071 11.869 1.00 0.00 N ATOM 2139 CA GLU A 135 -10.067 -9.807 11.971 1.00 0.00 C ATOM 2140 C GLU A 135 -10.852 -10.725 11.037 1.00 0.00 C ATOM 2141 O GLU A 135 -11.923 -11.216 11.393 1.00 0.00 O ATOM 2142 CB GLU A 135 -10.356 -8.347 11.617 1.00 0.00 C ATOM 2143 CG GLU A 135 -11.713 -7.943 12.198 1.00 0.00 C ATOM 2144 CD GLU A 135 -12.116 -6.568 11.675 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -11.590 -5.588 12.176 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -12.945 -6.516 10.781 1.00 0.00 O ATOM 0 H GLU A 135 -8.069 -9.258 11.628 1.00 0.00 H new ATOM 0 HA GLU A 135 -10.379 -10.000 12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -9.572 -7.703 12.014 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -10.358 -8.217 10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -12.468 -8.680 11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.661 -7.926 13.287 1.00 0.00 H new