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 53 SER OG : rot -59:sc= -0.241! USER MOD Set 1.2: A 56 CYS SG : rot 180:sc= -0.237 USER MOD Set 1.3: A 86 LYS NZ :NH3+ -179:sc= -1.75 (180deg=-1.77) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 22 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.7!) 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= -0.0931 K(o=-0.093,f=-1.6!) USER MOD Single : A 32 GLN : amide:sc= -0.488 K(o=-0.49,f=-3.5!) USER MOD Single : A 34 MET CE :methyl -128:sc= -0.36 (180deg=-3.09!) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= -0.0394 (180deg=-0.283) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -3.19! USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc=-0.000134 USER MOD Single : A 60 TYR OH : rot 15:sc= -1.08 USER MOD Single : A 62 THR OG1 : rot 118:sc= 0.251 USER MOD Single : A 70 ASN : amide:sc= -0.901! C(o=-0.9!,f=-1.9!) USER MOD Single : A 72 TYR OH : rot 130:sc= -0.101 USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= -0.0856 (180deg=-1.12) USER MOD Single : A 81 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 82 SER OG : rot 154:sc= -0.666 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.919 F(o=-2.5!,f=-0.92) USER MOD Single : A 93 LYS NZ :NH3+ -105:sc= -1.71! (180deg=-3.74!) USER MOD Single : A 94 THR OG1 : rot -166:sc= -1.16 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 19:sc= -0.192 USER MOD Single : A 99 GLN :FLIP amide:sc= -11.2! C(o=-12!,f=-11!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -108:sc= -0.853 (180deg=-2.65!) USER MOD Single : A 108 THR OG1 : rot -86:sc= -0.107 USER MOD Single : A 114 MET CE :methyl -140:sc= -0.0099 (180deg=-1.24) USER MOD Single : A 121 SER OG : rot 180:sc= 1.02 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 90:sc= -4.89! 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) USER MOD Single : A 134 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 240 N GLY A 17 -5.388 -18.098 5.489 1.00 0.00 N ATOM 241 CA GLY A 17 -4.587 -17.606 6.604 1.00 0.00 C ATOM 242 C GLY A 17 -3.125 -17.460 6.196 1.00 0.00 C ATOM 243 O GLY A 17 -2.223 -17.850 6.937 1.00 0.00 O ATOM 0 HA2 GLY A 17 -4.974 -16.644 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.667 -18.293 7.447 1.00 0.00 H new ATOM 247 N HIS A 18 -2.900 -16.898 5.013 1.00 0.00 N ATOM 248 CA HIS A 18 -1.543 -16.707 4.514 1.00 0.00 C ATOM 249 C HIS A 18 -1.464 -15.464 3.633 1.00 0.00 C ATOM 250 O HIS A 18 -2.459 -15.045 3.042 1.00 0.00 O ATOM 251 CB HIS A 18 -1.110 -17.932 3.707 1.00 0.00 C ATOM 252 CG HIS A 18 -2.270 -18.429 2.891 1.00 0.00 C ATOM 253 ND1 HIS A 18 -2.644 -17.832 1.697 1.00 0.00 N ATOM 254 CD2 HIS A 18 -3.151 -19.464 3.083 1.00 0.00 C ATOM 255 CE1 HIS A 18 -3.707 -18.506 1.221 1.00 0.00 C ATOM 256 NE2 HIS A 18 -4.056 -19.512 2.028 1.00 0.00 N ATOM 0 H HIS A 18 -3.634 -16.569 4.386 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.877 -16.576 5.367 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.276 -17.675 3.054 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.760 -18.717 4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.143 -20.139 3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.216 -18.263 0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.822 -20.173 1.898 1.00 0.00 H new ATOM 264 N ILE A 19 -0.271 -14.884 3.546 1.00 0.00 N ATOM 265 CA ILE A 19 -0.072 -13.692 2.729 1.00 0.00 C ATOM 266 C ILE A 19 1.078 -13.908 1.751 1.00 0.00 C ATOM 267 O ILE A 19 1.943 -14.755 1.975 1.00 0.00 O ATOM 268 CB ILE A 19 0.230 -12.488 3.624 1.00 0.00 C ATOM 269 CG1 ILE A 19 -1.001 -12.162 4.474 1.00 0.00 C ATOM 270 CG2 ILE A 19 0.584 -11.280 2.756 1.00 0.00 C ATOM 271 CD1 ILE A 19 -2.202 -11.906 3.562 1.00 0.00 C ATOM 0 H ILE A 19 0.565 -15.216 4.026 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.985 -13.499 2.165 1.00 0.00 H new ATOM 0 HB ILE A 19 1.071 -12.724 4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.216 -12.988 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.807 -11.285 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.799 -10.423 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.461 -11.511 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.255 -11.043 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.077 -11.674 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.985 -11.066 2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.401 -12.795 2.964 1.00 0.00 H new ATOM 283 N VAL A 20 1.079 -13.144 0.663 1.00 0.00 N ATOM 284 CA VAL A 20 2.130 -13.271 -0.341 1.00 0.00 C ATOM 285 C VAL A 20 2.994 -12.015 -0.386 1.00 0.00 C ATOM 286 O VAL A 20 2.517 -10.908 -0.138 1.00 0.00 O ATOM 287 CB VAL A 20 1.511 -13.514 -1.718 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.601 -13.428 -2.788 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.874 -14.905 -1.750 1.00 0.00 C ATOM 0 H VAL A 20 0.373 -12.438 0.455 1.00 0.00 H new ATOM 0 HA VAL A 20 2.760 -14.118 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 20 0.749 -12.760 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.161 -13.601 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.057 -12.438 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.362 -14.183 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.432 -15.080 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.637 -15.659 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.099 -14.968 -0.986 1.00 0.00 H new ATOM 299 N ALA A 21 4.269 -12.201 -0.710 1.00 0.00 N ATOM 300 CA ALA A 21 5.202 -11.083 -0.791 1.00 0.00 C ATOM 301 C ALA A 21 6.099 -11.233 -2.016 1.00 0.00 C ATOM 302 O ALA A 21 6.251 -12.332 -2.551 1.00 0.00 O ATOM 303 CB ALA A 21 6.063 -11.029 0.473 1.00 0.00 C ATOM 0 H ALA A 21 4.679 -13.111 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 21 4.632 -10.158 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.757 -10.191 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.422 -10.899 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.624 -11.958 0.571 1.00 0.00 H new ATOM 309 N ASN A 22 6.687 -10.127 -2.458 1.00 0.00 N ATOM 310 CA ASN A 22 7.562 -10.159 -3.625 1.00 0.00 C ATOM 311 C ASN A 22 9.013 -10.375 -3.206 1.00 0.00 C ATOM 312 O ASN A 22 9.475 -9.809 -2.213 1.00 0.00 O ATOM 313 CB ASN A 22 7.443 -8.849 -4.406 1.00 0.00 C ATOM 314 CG ASN A 22 8.106 -8.997 -5.772 1.00 0.00 C ATOM 315 OD1 ASN A 22 8.298 -10.115 -6.250 1.00 0.00 O ATOM 316 ND2 ASN A 22 8.469 -7.932 -6.432 1.00 0.00 N ATOM 0 H ASN A 22 6.576 -9.207 -2.032 1.00 0.00 H new ATOM 0 HA ASN A 22 7.254 -10.989 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.393 -8.583 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.914 -8.039 -3.849 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.913 -8.025 -7.346 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.309 -7.006 -6.034 1.00 0.00 H new ATOM 323 N GLU A 23 9.724 -11.198 -3.970 1.00 0.00 N ATOM 324 CA GLU A 23 11.123 -11.486 -3.676 1.00 0.00 C ATOM 325 C GLU A 23 11.842 -10.227 -3.206 1.00 0.00 C ATOM 326 O GLU A 23 12.556 -10.245 -2.202 1.00 0.00 O ATOM 327 CB GLU A 23 11.813 -12.033 -4.927 1.00 0.00 C ATOM 328 CG GLU A 23 13.258 -12.415 -4.597 1.00 0.00 C ATOM 329 CD GLU A 23 14.113 -12.368 -5.858 1.00 0.00 C ATOM 330 OE1 GLU A 23 14.304 -11.282 -6.381 1.00 0.00 O ATOM 331 OE2 GLU A 23 14.562 -13.418 -6.285 1.00 0.00 O ATOM 0 H GLU A 23 9.357 -11.675 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 23 11.164 -12.231 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.273 -12.903 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.797 -11.284 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.661 -11.732 -3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.288 -13.415 -4.165 1.00 0.00 H new ATOM 338 N LYS A 24 11.650 -9.134 -3.936 1.00 0.00 N ATOM 339 CA LYS A 24 12.286 -7.871 -3.586 1.00 0.00 C ATOM 340 C LYS A 24 11.793 -7.380 -2.228 1.00 0.00 C ATOM 341 O LYS A 24 12.529 -6.730 -1.486 1.00 0.00 O ATOM 342 CB LYS A 24 11.977 -6.817 -4.651 1.00 0.00 C ATOM 343 CG LYS A 24 12.936 -5.636 -4.495 1.00 0.00 C ATOM 344 CD LYS A 24 14.180 -5.872 -5.354 1.00 0.00 C ATOM 345 CE LYS A 24 15.421 -5.387 -4.603 1.00 0.00 C ATOM 346 NZ LYS A 24 16.437 -4.909 -5.581 1.00 0.00 N ATOM 0 H LYS A 24 11.062 -9.097 -4.769 1.00 0.00 H new ATOM 0 HA LYS A 24 13.363 -8.032 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.076 -7.251 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.946 -6.477 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.443 -4.711 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.220 -5.520 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.276 -6.932 -5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.086 -5.342 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.153 -4.583 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.833 -6.196 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.281 -4.579 -5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.700 -5.688 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.041 -4.125 -6.138 1.00 0.00 H new ATOM 360 N TRP A 25 10.542 -7.696 -1.911 1.00 0.00 N ATOM 361 CA TRP A 25 9.959 -7.282 -0.642 1.00 0.00 C ATOM 362 C TRP A 25 10.470 -8.159 0.497 1.00 0.00 C ATOM 363 O TRP A 25 10.121 -7.950 1.659 1.00 0.00 O ATOM 364 CB TRP A 25 8.434 -7.372 -0.714 1.00 0.00 C ATOM 365 CG TRP A 25 7.832 -6.228 0.036 1.00 0.00 C ATOM 366 CD1 TRP A 25 6.981 -6.347 1.081 1.00 0.00 C ATOM 367 CD2 TRP A 25 8.020 -4.798 -0.179 1.00 0.00 C ATOM 368 NE1 TRP A 25 6.635 -5.082 1.520 1.00 0.00 N ATOM 369 CE2 TRP A 25 7.250 -4.095 0.776 1.00 0.00 C ATOM 370 CE3 TRP A 25 8.777 -4.052 -1.101 1.00 0.00 C ATOM 371 CZ2 TRP A 25 7.230 -2.700 0.814 1.00 0.00 C ATOM 372 CZ3 TRP A 25 8.759 -2.649 -1.065 1.00 0.00 C ATOM 373 CH2 TRP A 25 7.987 -1.974 -0.108 1.00 0.00 C ATOM 0 H TRP A 25 9.917 -8.234 -2.511 1.00 0.00 H new ATOM 0 HA TRP A 25 10.253 -6.250 -0.449 1.00 0.00 H new ATOM 0 HB2 TRP A 25 8.106 -7.352 -1.753 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.094 -8.317 -0.291 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.630 -7.277 1.503 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.002 -4.900 2.299 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.376 -4.562 -1.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.633 -2.185 1.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.343 -2.086 -1.778 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.978 -0.894 -0.084 1.00 0.00 H new ATOM 384 N ARG A 26 11.298 -9.141 0.157 1.00 0.00 N ATOM 385 CA ARG A 26 11.851 -10.042 1.163 1.00 0.00 C ATOM 386 C ARG A 26 12.964 -9.353 1.944 1.00 0.00 C ATOM 387 O ARG A 26 13.227 -9.691 3.098 1.00 0.00 O ATOM 388 CB ARG A 26 12.402 -11.303 0.493 1.00 0.00 C ATOM 389 CG ARG A 26 12.570 -12.408 1.540 1.00 0.00 C ATOM 390 CD ARG A 26 14.029 -12.868 1.573 1.00 0.00 C ATOM 391 NE ARG A 26 14.920 -11.718 1.683 1.00 0.00 N ATOM 392 CZ ARG A 26 16.239 -11.860 1.591 1.00 0.00 C ATOM 393 NH1 ARG A 26 16.757 -13.044 1.410 1.00 0.00 N ATOM 394 NH2 ARG A 26 17.015 -10.816 1.684 1.00 0.00 N ATOM 0 H ARG A 26 11.599 -9.333 -0.798 1.00 0.00 H new ATOM 0 HA ARG A 26 11.053 -10.317 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.725 -11.634 -0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.360 -11.087 0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.272 -12.041 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.918 -13.249 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.186 -13.541 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.261 -13.431 0.669 1.00 0.00 H new ATOM 0 HE ARG A 26 14.525 -10.790 1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.150 -13.861 1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.769 -13.153 1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.610 -9.891 1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.027 -10.925 1.613 1.00 0.00 H new ATOM 408 N GLY A 27 13.615 -8.385 1.307 1.00 0.00 N ATOM 409 CA GLY A 27 14.699 -7.655 1.952 1.00 0.00 C ATOM 410 C GLY A 27 14.155 -6.518 2.810 1.00 0.00 C ATOM 411 O GLY A 27 14.787 -5.469 2.940 1.00 0.00 O ATOM 0 H GLY A 27 13.413 -8.090 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.283 -8.336 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.373 -7.254 1.195 1.00 0.00 H new ATOM 415 N SER A 28 12.981 -6.733 3.393 1.00 0.00 N ATOM 416 CA SER A 28 12.363 -5.718 4.239 1.00 0.00 C ATOM 417 C SER A 28 12.097 -6.272 5.634 1.00 0.00 C ATOM 418 O SER A 28 11.727 -7.435 5.790 1.00 0.00 O ATOM 419 CB SER A 28 11.048 -5.249 3.618 1.00 0.00 C ATOM 420 OG SER A 28 11.315 -4.607 2.378 1.00 0.00 O ATOM 0 H SER A 28 12.442 -7.593 3.297 1.00 0.00 H new ATOM 0 HA SER A 28 13.049 -4.874 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.382 -6.098 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.538 -4.562 4.294 1.00 0.00 H new ATOM 0 HG SER A 28 10.473 -4.307 1.977 1.00 0.00 H new ATOM 426 N GLN A 29 12.288 -5.432 6.646 1.00 0.00 N ATOM 427 CA GLN A 29 12.065 -5.850 8.024 1.00 0.00 C ATOM 428 C GLN A 29 10.586 -6.144 8.256 1.00 0.00 C ATOM 429 O GLN A 29 10.226 -6.890 9.167 1.00 0.00 O ATOM 430 CB GLN A 29 12.526 -4.751 8.984 1.00 0.00 C ATOM 431 CG GLN A 29 14.003 -4.439 8.732 1.00 0.00 C ATOM 432 CD GLN A 29 14.345 -3.057 9.281 1.00 0.00 C ATOM 433 OE1 GLN A 29 13.508 -2.155 9.256 1.00 0.00 O ATOM 434 NE2 GLN A 29 15.532 -2.837 9.777 1.00 0.00 N ATOM 0 H GLN A 29 12.594 -4.465 6.539 1.00 0.00 H new ATOM 0 HA GLN A 29 12.640 -6.757 8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.924 -3.853 8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.382 -5.071 10.016 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.629 -5.194 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.214 -4.477 7.663 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.224 -3.587 9.796 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.768 -1.916 10.145 1.00 0.00 H new ATOM 443 N LEU A 30 9.735 -5.553 7.424 1.00 0.00 N ATOM 444 CA LEU A 30 8.296 -5.754 7.542 1.00 0.00 C ATOM 445 C LEU A 30 7.925 -7.194 7.189 1.00 0.00 C ATOM 446 O LEU A 30 7.289 -7.892 7.977 1.00 0.00 O ATOM 447 CB LEU A 30 7.567 -4.776 6.611 1.00 0.00 C ATOM 448 CG LEU A 30 6.311 -5.431 6.023 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.446 -6.001 7.150 1.00 0.00 C ATOM 450 CD2 LEU A 30 5.510 -4.382 5.248 1.00 0.00 C ATOM 0 H LEU A 30 10.015 -4.933 6.664 1.00 0.00 H new ATOM 0 HA LEU A 30 7.994 -5.567 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.292 -3.877 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.233 -4.465 5.806 1.00 0.00 H new ATOM 0 HG LEU A 30 6.605 -6.239 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.555 -6.465 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.015 -6.748 7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.150 -5.197 7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.616 -4.844 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.220 -3.575 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.123 -3.979 4.442 1.00 0.00 H new ATOM 462 N ALA A 31 8.324 -7.624 5.997 1.00 0.00 N ATOM 463 CA ALA A 31 8.027 -8.979 5.541 1.00 0.00 C ATOM 464 C ALA A 31 8.375 -10.007 6.615 1.00 0.00 C ATOM 465 O ALA A 31 7.847 -11.119 6.613 1.00 0.00 O ATOM 466 CB ALA A 31 8.820 -9.284 4.269 1.00 0.00 C ATOM 0 H ALA A 31 8.851 -7.058 5.332 1.00 0.00 H new ATOM 0 HA ALA A 31 6.959 -9.041 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.594 -10.296 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.545 -8.574 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.887 -9.200 4.476 1.00 0.00 H new ATOM 472 N GLN A 32 9.268 -9.634 7.526 1.00 0.00 N ATOM 473 CA GLN A 32 9.678 -10.540 8.593 1.00 0.00 C ATOM 474 C GLN A 32 8.661 -10.536 9.732 1.00 0.00 C ATOM 475 O GLN A 32 8.275 -11.591 10.235 1.00 0.00 O ATOM 476 CB GLN A 32 11.050 -10.129 9.130 1.00 0.00 C ATOM 477 CG GLN A 32 12.144 -10.865 8.355 1.00 0.00 C ATOM 478 CD GLN A 32 12.229 -12.314 8.823 1.00 0.00 C ATOM 479 OE1 GLN A 32 11.305 -12.816 9.463 1.00 0.00 O ATOM 480 NE2 GLN A 32 13.290 -13.021 8.541 1.00 0.00 N ATOM 0 H GLN A 32 9.718 -8.719 7.548 1.00 0.00 H new ATOM 0 HA GLN A 32 9.735 -11.547 8.181 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.183 -9.052 9.032 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.122 -10.364 10.192 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.930 -10.831 7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.103 -10.369 8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.055 -12.604 8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.354 -13.991 8.851 1.00 0.00 H new ATOM 489 N GLU A 33 8.236 -9.345 10.137 1.00 0.00 N ATOM 490 CA GLU A 33 7.268 -9.218 11.221 1.00 0.00 C ATOM 491 C GLU A 33 6.058 -10.115 10.976 1.00 0.00 C ATOM 492 O GLU A 33 5.460 -10.636 11.917 1.00 0.00 O ATOM 493 CB GLU A 33 6.809 -7.764 11.343 1.00 0.00 C ATOM 494 CG GLU A 33 7.825 -6.977 12.174 1.00 0.00 C ATOM 495 CD GLU A 33 7.258 -6.698 13.561 1.00 0.00 C ATOM 496 OE1 GLU A 33 6.619 -5.672 13.724 1.00 0.00 O ATOM 497 OE2 GLU A 33 7.473 -7.515 14.442 1.00 0.00 O ATOM 0 H GLU A 33 8.543 -8.459 9.735 1.00 0.00 H new ATOM 0 HA GLU A 33 7.751 -9.528 12.148 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.709 -7.318 10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.826 -7.720 11.813 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.754 -7.541 12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.067 -6.038 11.675 1.00 0.00 H new ATOM 504 N MET A 34 5.700 -10.289 9.707 1.00 0.00 N ATOM 505 CA MET A 34 4.558 -11.123 9.353 1.00 0.00 C ATOM 506 C MET A 34 4.827 -12.584 9.701 1.00 0.00 C ATOM 507 O MET A 34 3.914 -13.322 10.070 1.00 0.00 O ATOM 508 CB MET A 34 4.264 -10.997 7.857 1.00 0.00 C ATOM 509 CG MET A 34 3.204 -9.917 7.635 1.00 0.00 C ATOM 510 SD MET A 34 2.802 -9.818 5.872 1.00 0.00 S ATOM 511 CE MET A 34 2.454 -8.043 5.818 1.00 0.00 C ATOM 0 H MET A 34 6.181 -9.867 8.913 1.00 0.00 H new ATOM 0 HA MET A 34 3.694 -10.782 9.924 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.176 -10.743 7.316 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.915 -11.951 7.463 1.00 0.00 H new ATOM 0 HG2 MET A 34 2.308 -10.148 8.211 1.00 0.00 H new ATOM 0 HG3 MET A 34 3.571 -8.954 7.990 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.480 -7.877 5.358 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.450 -7.642 6.832 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.223 -7.539 5.232 1.00 0.00 H new ATOM 521 N GLN A 35 6.085 -12.996 9.579 1.00 0.00 N ATOM 522 CA GLN A 35 6.459 -14.372 9.884 1.00 0.00 C ATOM 523 C GLN A 35 6.373 -14.633 11.384 1.00 0.00 C ATOM 524 O GLN A 35 6.336 -15.782 11.823 1.00 0.00 O ATOM 525 CB GLN A 35 7.885 -14.644 9.400 1.00 0.00 C ATOM 526 CG GLN A 35 7.864 -14.984 7.908 1.00 0.00 C ATOM 527 CD GLN A 35 7.812 -16.496 7.718 1.00 0.00 C ATOM 528 OE1 GLN A 35 6.730 -17.150 8.045 1.00 0.00 O flip ATOM 529 NE2 GLN A 35 8.782 -17.098 7.259 1.00 0.00 N flip ATOM 0 H GLN A 35 6.856 -12.403 9.274 1.00 0.00 H new ATOM 0 HA GLN A 35 5.766 -15.038 9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.512 -13.770 9.575 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.321 -15.468 9.965 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.000 -14.520 7.433 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.751 -14.578 7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.626 -16.586 7.004 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.742 -18.109 7.133 1.00 0.00 H new ATOM 538 N GLY A 36 6.343 -13.558 12.166 1.00 0.00 N ATOM 539 CA GLY A 36 6.262 -13.684 13.616 1.00 0.00 C ATOM 540 C GLY A 36 4.814 -13.814 14.075 1.00 0.00 C ATOM 541 O GLY A 36 4.534 -13.852 15.273 1.00 0.00 O ATOM 0 H GLY A 36 6.373 -12.598 11.823 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.829 -14.556 13.941 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.719 -12.813 14.086 1.00 0.00 H new ATOM 545 N LYS A 37 3.898 -13.882 13.115 1.00 0.00 N ATOM 546 CA LYS A 37 2.480 -14.008 13.433 1.00 0.00 C ATOM 547 C LYS A 37 1.763 -14.821 12.361 1.00 0.00 C ATOM 548 O LYS A 37 1.133 -15.837 12.654 1.00 0.00 O ATOM 549 CB LYS A 37 1.840 -12.623 13.536 1.00 0.00 C ATOM 550 CG LYS A 37 2.377 -11.899 14.772 1.00 0.00 C ATOM 551 CD LYS A 37 1.755 -10.504 14.855 1.00 0.00 C ATOM 552 CE LYS A 37 2.619 -9.511 14.077 1.00 0.00 C ATOM 553 NZ LYS A 37 3.855 -9.212 14.855 1.00 0.00 N ATOM 0 H LYS A 37 4.109 -13.852 12.118 1.00 0.00 H new ATOM 0 HA LYS A 37 2.387 -14.522 14.390 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.058 -12.043 12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.756 -12.716 13.599 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.141 -12.468 15.671 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.463 -11.822 14.719 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.744 -10.520 14.447 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.673 -10.193 15.896 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.881 -9.925 13.103 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.061 -8.593 13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.240 -8.293 14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.627 -9.178 15.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.561 -9.956 14.684 1.00 0.00 H new ATOM 567 N ILE A 38 1.865 -14.365 11.116 1.00 0.00 N ATOM 568 CA ILE A 38 1.223 -15.057 10.005 1.00 0.00 C ATOM 569 C ILE A 38 2.272 -15.667 9.080 1.00 0.00 C ATOM 570 O ILE A 38 3.453 -15.326 9.157 1.00 0.00 O ATOM 571 CB ILE A 38 0.349 -14.080 9.216 1.00 0.00 C ATOM 572 CG1 ILE A 38 -0.739 -14.860 8.472 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.213 -13.322 8.207 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.665 -15.537 9.484 1.00 0.00 C ATOM 0 H ILE A 38 2.382 -13.526 10.853 1.00 0.00 H new ATOM 0 HA ILE A 38 0.600 -15.856 10.408 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.114 -13.370 9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.311 -14.187 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.285 -15.608 7.822 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.590 -12.626 7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.989 -12.769 8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.676 -14.030 7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.439 -16.092 8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.087 -16.222 10.104 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.129 -14.780 10.116 1.00 0.00 H new ATOM 586 N LYS A 39 1.835 -16.571 8.212 1.00 0.00 N ATOM 587 CA LYS A 39 2.748 -17.222 7.280 1.00 0.00 C ATOM 588 C LYS A 39 2.882 -16.403 6.001 1.00 0.00 C ATOM 589 O LYS A 39 1.941 -16.306 5.212 1.00 0.00 O ATOM 590 CB LYS A 39 2.232 -18.624 6.943 1.00 0.00 C ATOM 591 CG LYS A 39 3.366 -19.472 6.359 1.00 0.00 C ATOM 592 CD LYS A 39 3.480 -20.781 7.145 1.00 0.00 C ATOM 593 CE LYS A 39 2.250 -21.650 6.870 1.00 0.00 C ATOM 594 NZ LYS A 39 2.689 -22.990 6.386 1.00 0.00 N ATOM 0 H LYS A 39 0.862 -16.868 8.134 1.00 0.00 H new ATOM 0 HA LYS A 39 3.728 -17.298 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.835 -19.100 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.412 -18.557 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.173 -19.682 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.307 -18.923 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.386 -21.313 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.559 -20.571 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.655 -21.756 7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.613 -21.173 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.855 -23.582 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.239 -22.880 5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.280 -23.444 7.111 1.00 0.00 H new ATOM 608 N LEU A 40 4.055 -15.812 5.802 1.00 0.00 N ATOM 609 CA LEU A 40 4.300 -15.000 4.615 1.00 0.00 C ATOM 610 C LEU A 40 5.013 -15.815 3.540 1.00 0.00 C ATOM 611 O LEU A 40 5.946 -16.563 3.832 1.00 0.00 O ATOM 612 CB LEU A 40 5.149 -13.783 4.983 1.00 0.00 C ATOM 613 CG LEU A 40 5.140 -12.787 3.822 1.00 0.00 C ATOM 614 CD1 LEU A 40 3.769 -12.116 3.736 1.00 0.00 C ATOM 615 CD2 LEU A 40 6.215 -11.723 4.057 1.00 0.00 C ATOM 0 H LEU A 40 4.846 -15.879 6.442 1.00 0.00 H new ATOM 0 HA LEU A 40 3.339 -14.669 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.757 -13.311 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.171 -14.092 5.204 1.00 0.00 H new ATOM 0 HG LEU A 40 5.345 -13.313 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.763 -11.406 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.003 -12.873 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.563 -11.589 4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.210 -11.012 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.009 -11.197 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.193 -12.201 4.119 1.00 0.00 H new ATOM 627 N ILE A 41 4.570 -15.660 2.297 1.00 0.00 N ATOM 628 CA ILE A 41 5.174 -16.385 1.184 1.00 0.00 C ATOM 629 C ILE A 41 5.879 -15.416 0.237 1.00 0.00 C ATOM 630 O ILE A 41 5.371 -14.331 -0.044 1.00 0.00 O ATOM 631 CB ILE A 41 4.101 -17.161 0.419 1.00 0.00 C ATOM 632 CG1 ILE A 41 3.201 -17.898 1.413 1.00 0.00 C ATOM 633 CG2 ILE A 41 4.771 -18.176 -0.508 1.00 0.00 C ATOM 634 CD1 ILE A 41 2.056 -18.577 0.660 1.00 0.00 C ATOM 0 H ILE A 41 3.801 -15.044 2.035 1.00 0.00 H new ATOM 0 HA ILE A 41 5.907 -17.085 1.585 1.00 0.00 H new ATOM 0 HB ILE A 41 3.502 -16.468 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.780 -18.641 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.803 -17.198 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.007 -18.730 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.415 -17.653 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.369 -18.869 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.415 -19.102 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.472 -17.824 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.464 -19.290 -0.057 1.00 0.00 H new ATOM 646 N PHE A 42 7.050 -15.814 -0.247 1.00 0.00 N ATOM 647 CA PHE A 42 7.817 -14.971 -1.157 1.00 0.00 C ATOM 648 C PHE A 42 7.744 -15.506 -2.585 1.00 0.00 C ATOM 649 O PHE A 42 7.748 -16.717 -2.806 1.00 0.00 O ATOM 650 CB PHE A 42 9.276 -14.913 -0.703 1.00 0.00 C ATOM 651 CG PHE A 42 9.397 -15.513 0.678 1.00 0.00 C ATOM 652 CD1 PHE A 42 9.309 -16.900 0.847 1.00 0.00 C ATOM 653 CD2 PHE A 42 9.596 -14.684 1.788 1.00 0.00 C ATOM 654 CE1 PHE A 42 9.420 -17.458 2.126 1.00 0.00 C ATOM 655 CE2 PHE A 42 9.707 -15.242 3.067 1.00 0.00 C ATOM 656 CZ PHE A 42 9.619 -16.629 3.237 1.00 0.00 C ATOM 0 H PHE A 42 7.487 -16.709 -0.027 1.00 0.00 H new ATOM 0 HA PHE A 42 7.389 -13.969 -1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.908 -15.457 -1.404 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.625 -13.880 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.155 -17.540 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.664 -13.614 1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.352 -18.528 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.861 -14.602 3.923 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.705 -17.059 4.224 1.00 0.00 H new ATOM 666 N GLU A 43 7.682 -14.594 -3.549 1.00 0.00 N ATOM 667 CA GLU A 43 7.610 -14.981 -4.954 1.00 0.00 C ATOM 668 C GLU A 43 8.178 -13.877 -5.841 1.00 0.00 C ATOM 669 O GLU A 43 7.651 -12.766 -5.881 1.00 0.00 O ATOM 670 CB GLU A 43 6.157 -15.258 -5.347 1.00 0.00 C ATOM 671 CG GLU A 43 5.896 -16.765 -5.319 1.00 0.00 C ATOM 672 CD GLU A 43 4.443 -17.036 -4.941 1.00 0.00 C ATOM 673 OE1 GLU A 43 3.929 -16.324 -4.094 1.00 0.00 O ATOM 674 OE2 GLU A 43 3.866 -17.951 -5.504 1.00 0.00 O ATOM 0 H GLU A 43 7.680 -13.587 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 43 8.201 -15.886 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.481 -14.749 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.957 -14.863 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.113 -17.198 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.562 -17.245 -4.602 1.00 0.00 H new ATOM 681 N ASP A 44 9.259 -14.192 -6.549 1.00 0.00 N ATOM 682 CA ASP A 44 9.892 -13.218 -7.431 1.00 0.00 C ATOM 683 C ASP A 44 9.105 -13.081 -8.731 1.00 0.00 C ATOM 684 O ASP A 44 8.709 -14.077 -9.337 1.00 0.00 O ATOM 685 CB ASP A 44 11.328 -13.649 -7.741 1.00 0.00 C ATOM 686 CG ASP A 44 11.623 -14.994 -7.085 1.00 0.00 C ATOM 687 OD1 ASP A 44 10.850 -15.914 -7.293 1.00 0.00 O ATOM 688 OD2 ASP A 44 12.618 -15.084 -6.386 1.00 0.00 O ATOM 0 H ASP A 44 9.711 -15.106 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 44 9.905 -12.252 -6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.469 -13.722 -8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.028 -12.897 -7.378 1.00 0.00 H new ATOM 693 N GLY A 45 8.881 -11.841 -9.152 1.00 0.00 N ATOM 694 CA GLY A 45 8.138 -11.582 -10.380 1.00 0.00 C ATOM 695 C GLY A 45 6.929 -10.696 -10.107 1.00 0.00 C ATOM 696 O GLY A 45 6.524 -9.900 -10.953 1.00 0.00 O ATOM 0 H GLY A 45 9.201 -11.004 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.789 -11.101 -11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.811 -12.525 -10.818 1.00 0.00 H new ATOM 700 N LEU A 46 6.355 -10.842 -8.915 1.00 0.00 N ATOM 701 CA LEU A 46 5.191 -10.050 -8.535 1.00 0.00 C ATOM 702 C LEU A 46 5.519 -8.561 -8.568 1.00 0.00 C ATOM 703 O LEU A 46 6.635 -8.155 -8.242 1.00 0.00 O ATOM 704 CB LEU A 46 4.732 -10.441 -7.129 1.00 0.00 C ATOM 705 CG LEU A 46 4.322 -11.915 -7.118 1.00 0.00 C ATOM 706 CD1 LEU A 46 4.112 -12.375 -5.674 1.00 0.00 C ATOM 707 CD2 LEU A 46 3.018 -12.085 -7.901 1.00 0.00 C ATOM 0 H LEU A 46 6.675 -11.497 -8.201 1.00 0.00 H new ATOM 0 HA LEU A 46 4.392 -10.249 -9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.535 -10.271 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.893 -9.817 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 46 5.106 -12.515 -7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.820 -13.425 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.039 -12.252 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.327 -11.776 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.724 -13.135 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.234 -11.486 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.166 -11.756 -8.930 1.00 0.00 H new ATOM 719 N THR A 47 4.542 -7.750 -8.965 1.00 0.00 N ATOM 720 CA THR A 47 4.743 -6.307 -9.036 1.00 0.00 C ATOM 721 C THR A 47 4.412 -5.649 -7.699 1.00 0.00 C ATOM 722 O THR A 47 5.284 -5.080 -7.044 1.00 0.00 O ATOM 723 CB THR A 47 3.862 -5.706 -10.134 1.00 0.00 C ATOM 724 OG1 THR A 47 2.826 -6.619 -10.465 1.00 0.00 O ATOM 725 CG2 THR A 47 4.711 -5.422 -11.374 1.00 0.00 C ATOM 0 H THR A 47 3.611 -8.064 -9.240 1.00 0.00 H new ATOM 0 HA THR A 47 5.791 -6.120 -9.270 1.00 0.00 H new ATOM 0 HB THR A 47 3.423 -4.775 -9.776 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.261 -6.233 -11.167 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.083 -4.994 -12.155 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.503 -4.718 -11.119 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.153 -6.351 -11.733 1.00 0.00 H new ATOM 733 N PRO A 48 3.172 -5.715 -7.291 1.00 0.00 N ATOM 734 CA PRO A 48 2.711 -5.112 -6.006 1.00 0.00 C ATOM 735 C PRO A 48 3.534 -5.596 -4.814 1.00 0.00 C ATOM 736 O PRO A 48 4.529 -6.302 -4.980 1.00 0.00 O ATOM 737 CB PRO A 48 1.245 -5.551 -5.877 1.00 0.00 C ATOM 738 CG PRO A 48 1.020 -6.592 -6.928 1.00 0.00 C ATOM 739 CD PRO A 48 2.075 -6.372 -8.008 1.00 0.00 C ATOM 0 HA PRO A 48 2.826 -4.028 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.046 -5.953 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.573 -4.705 -6.019 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.105 -7.593 -6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.017 -6.507 -7.346 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.395 -7.314 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.696 -5.749 -8.818 1.00 0.00 H new ATOM 747 N ASP A 49 3.116 -5.206 -3.614 1.00 0.00 N ATOM 748 CA ASP A 49 3.827 -5.601 -2.403 1.00 0.00 C ATOM 749 C ASP A 49 3.228 -6.872 -1.810 1.00 0.00 C ATOM 750 O ASP A 49 3.876 -7.918 -1.779 1.00 0.00 O ATOM 751 CB ASP A 49 3.761 -4.475 -1.368 1.00 0.00 C ATOM 752 CG ASP A 49 4.417 -4.925 -0.067 1.00 0.00 C ATOM 753 OD1 ASP A 49 4.570 -6.122 0.113 1.00 0.00 O ATOM 754 OD2 ASP A 49 4.758 -4.066 0.730 1.00 0.00 O ATOM 0 H ASP A 49 2.295 -4.622 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 49 4.866 -5.796 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.265 -3.587 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.723 -4.198 -1.185 1.00 0.00 H new ATOM 759 N PHE A 50 1.988 -6.778 -1.338 1.00 0.00 N ATOM 760 CA PHE A 50 1.319 -7.931 -0.746 1.00 0.00 C ATOM 761 C PHE A 50 0.070 -8.294 -1.542 1.00 0.00 C ATOM 762 O PHE A 50 -0.435 -7.487 -2.324 1.00 0.00 O ATOM 763 CB PHE A 50 0.941 -7.624 0.706 1.00 0.00 C ATOM 764 CG PHE A 50 2.183 -7.250 1.477 1.00 0.00 C ATOM 765 CD1 PHE A 50 3.153 -8.220 1.755 1.00 0.00 C ATOM 766 CD2 PHE A 50 2.366 -5.933 1.914 1.00 0.00 C ATOM 767 CE1 PHE A 50 4.306 -7.874 2.468 1.00 0.00 C ATOM 768 CE2 PHE A 50 3.519 -5.586 2.628 1.00 0.00 C ATOM 769 CZ PHE A 50 4.490 -6.556 2.905 1.00 0.00 C ATOM 0 H PHE A 50 1.431 -5.924 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 50 2.003 -8.779 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.218 -6.809 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.464 -8.492 1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.011 -9.237 1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.618 -5.184 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.054 -8.623 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.660 -4.570 2.965 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.380 -6.288 3.455 1.00 0.00 H new ATOM 779 N TYR A 51 -0.421 -9.513 -1.345 1.00 0.00 N ATOM 780 CA TYR A 51 -1.608 -9.969 -2.062 1.00 0.00 C ATOM 781 C TYR A 51 -2.633 -10.562 -1.100 1.00 0.00 C ATOM 782 O TYR A 51 -2.281 -11.241 -0.136 1.00 0.00 O ATOM 783 CB TYR A 51 -1.213 -11.023 -3.101 1.00 0.00 C ATOM 784 CG TYR A 51 -1.678 -10.587 -4.471 1.00 0.00 C ATOM 785 CD1 TYR A 51 -1.282 -9.344 -4.980 1.00 0.00 C ATOM 786 CD2 TYR A 51 -2.505 -11.424 -5.229 1.00 0.00 C ATOM 787 CE1 TYR A 51 -1.712 -8.940 -6.249 1.00 0.00 C ATOM 788 CE2 TYR A 51 -2.935 -11.019 -6.498 1.00 0.00 C ATOM 789 CZ TYR A 51 -2.538 -9.777 -7.007 1.00 0.00 C ATOM 790 OH TYR A 51 -2.963 -9.377 -8.258 1.00 0.00 O ATOM 0 H TYR A 51 -0.021 -10.197 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.057 -9.110 -2.560 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.132 -11.161 -3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.657 -11.985 -2.845 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.645 -8.698 -4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.811 -12.382 -4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.406 -7.982 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.573 -11.664 -7.084 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.528 -10.075 -8.650 1.00 0.00 H new ATOM 800 N LEU A 52 -3.906 -10.305 -1.383 1.00 0.00 N ATOM 801 CA LEU A 52 -4.988 -10.820 -0.552 1.00 0.00 C ATOM 802 C LEU A 52 -5.900 -11.712 -1.387 1.00 0.00 C ATOM 803 O LEU A 52 -6.578 -12.596 -0.861 1.00 0.00 O ATOM 804 CB LEU A 52 -5.797 -9.658 0.032 1.00 0.00 C ATOM 805 CG LEU A 52 -5.560 -9.574 1.540 1.00 0.00 C ATOM 806 CD1 LEU A 52 -6.005 -10.879 2.201 1.00 0.00 C ATOM 807 CD2 LEU A 52 -4.070 -9.349 1.806 1.00 0.00 C ATOM 0 H LEU A 52 -4.213 -9.745 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.562 -11.404 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.505 -8.722 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.858 -9.802 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.134 -8.745 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.836 -10.818 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.066 -11.041 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.431 -11.709 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.897 -9.289 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.497 -10.179 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.753 -8.419 1.335 1.00 0.00 H new ATOM 819 N SER A 53 -5.903 -11.470 -2.693 1.00 0.00 N ATOM 820 CA SER A 53 -6.725 -12.245 -3.611 1.00 0.00 C ATOM 821 C SER A 53 -6.343 -11.925 -5.053 1.00 0.00 C ATOM 822 O SER A 53 -5.464 -11.100 -5.301 1.00 0.00 O ATOM 823 CB SER A 53 -8.200 -11.923 -3.387 1.00 0.00 C ATOM 824 OG SER A 53 -8.401 -11.557 -2.028 1.00 0.00 O ATOM 0 H SER A 53 -5.344 -10.742 -3.139 1.00 0.00 H new ATOM 0 HA SER A 53 -6.557 -13.306 -3.424 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.510 -11.110 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.815 -12.788 -3.637 1.00 0.00 H new ATOM 0 HG SER A 53 -8.123 -12.295 -1.446 1.00 0.00 H new ATOM 830 N ASN A 54 -7.008 -12.577 -6.000 1.00 0.00 N ATOM 831 CA ASN A 54 -6.723 -12.342 -7.412 1.00 0.00 C ATOM 832 C ASN A 54 -7.364 -11.039 -7.877 1.00 0.00 C ATOM 833 O ASN A 54 -7.315 -10.699 -9.058 1.00 0.00 O ATOM 834 CB ASN A 54 -7.253 -13.506 -8.252 1.00 0.00 C ATOM 835 CG ASN A 54 -6.728 -14.825 -7.698 1.00 0.00 C ATOM 836 OD1 ASN A 54 -7.492 -15.616 -7.145 1.00 0.00 O ATOM 837 ND2 ASN A 54 -5.460 -15.111 -7.814 1.00 0.00 N ATOM 0 H ASN A 54 -7.740 -13.265 -5.820 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.643 -12.267 -7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -8.343 -13.506 -8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.942 -13.388 -9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.100 -15.992 -7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.829 -14.454 -8.273 1.00 0.00 H new ATOM 844 N ARG A 55 -7.965 -10.315 -6.938 1.00 0.00 N ATOM 845 CA ARG A 55 -8.616 -9.050 -7.261 1.00 0.00 C ATOM 846 C ARG A 55 -8.229 -7.967 -6.257 1.00 0.00 C ATOM 847 O ARG A 55 -8.618 -6.808 -6.402 1.00 0.00 O ATOM 848 CB ARG A 55 -10.134 -9.232 -7.248 1.00 0.00 C ATOM 849 CG ARG A 55 -10.629 -9.536 -8.664 1.00 0.00 C ATOM 850 CD ARG A 55 -11.975 -10.259 -8.587 1.00 0.00 C ATOM 851 NE ARG A 55 -12.540 -10.134 -7.249 1.00 0.00 N ATOM 852 CZ ARG A 55 -13.485 -10.965 -6.819 1.00 0.00 C ATOM 853 NH1 ARG A 55 -13.932 -11.907 -7.605 1.00 0.00 N ATOM 854 NH2 ARG A 55 -13.967 -10.837 -5.613 1.00 0.00 N ATOM 0 H ARG A 55 -8.015 -10.580 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.288 -8.741 -8.253 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.407 -10.045 -6.575 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.615 -8.330 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.732 -8.611 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.902 -10.154 -9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.663 -9.839 -9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.845 -11.312 -8.837 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.204 -9.395 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.556 -12.005 -8.548 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.657 -12.545 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.619 -10.100 -5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.692 -11.474 -5.283 1.00 0.00 H new ATOM 868 N CYS A 56 -7.468 -8.350 -5.236 1.00 0.00 N ATOM 869 CA CYS A 56 -7.046 -7.398 -4.216 1.00 0.00 C ATOM 870 C CYS A 56 -5.540 -7.476 -3.987 1.00 0.00 C ATOM 871 O CYS A 56 -4.973 -8.562 -3.870 1.00 0.00 O ATOM 872 CB CYS A 56 -7.778 -7.681 -2.903 1.00 0.00 C ATOM 873 SG CYS A 56 -9.457 -8.257 -3.258 1.00 0.00 S ATOM 0 H CYS A 56 -7.134 -9.303 -5.094 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.293 -6.395 -4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.238 -8.434 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.813 -6.779 -2.292 1.00 0.00 H new ATOM 0 HG CYS A 56 -10.078 -8.499 -2.142 1.00 0.00 H new ATOM 879 N CYS A 57 -4.901 -6.313 -3.919 1.00 0.00 N ATOM 880 CA CYS A 57 -3.461 -6.243 -3.696 1.00 0.00 C ATOM 881 C CYS A 57 -3.117 -5.005 -2.875 1.00 0.00 C ATOM 882 O CYS A 57 -3.975 -4.154 -2.637 1.00 0.00 O ATOM 883 CB CYS A 57 -2.723 -6.192 -5.036 1.00 0.00 C ATOM 884 SG CYS A 57 -2.581 -4.472 -5.580 1.00 0.00 S ATOM 0 H CYS A 57 -5.357 -5.406 -4.015 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.149 -7.133 -3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.733 -6.636 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.260 -6.778 -5.782 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.952 -4.427 -6.717 1.00 0.00 H new ATOM 890 N ILE A 58 -1.865 -4.906 -2.438 1.00 0.00 N ATOM 891 CA ILE A 58 -1.443 -3.761 -1.642 1.00 0.00 C ATOM 892 C ILE A 58 -0.058 -3.282 -2.065 1.00 0.00 C ATOM 893 O ILE A 58 0.840 -4.086 -2.316 1.00 0.00 O ATOM 894 CB ILE A 58 -1.424 -4.138 -0.160 1.00 0.00 C ATOM 895 CG1 ILE A 58 -2.836 -3.999 0.417 1.00 0.00 C ATOM 896 CG2 ILE A 58 -0.473 -3.209 0.596 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.147 -5.205 1.306 1.00 0.00 C ATOM 0 H ILE A 58 -1.135 -5.595 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.154 -2.951 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.083 -5.168 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.915 -3.078 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.565 -3.932 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.462 -3.480 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.532 -3.305 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.811 -2.178 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.152 -5.105 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.086 -6.119 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.425 -5.252 2.122 1.00 0.00 H new ATOM 909 N LEU A 59 0.106 -1.964 -2.136 1.00 0.00 N ATOM 910 CA LEU A 59 1.384 -1.377 -2.521 1.00 0.00 C ATOM 911 C LEU A 59 1.864 -0.411 -1.443 1.00 0.00 C ATOM 912 O LEU A 59 1.083 0.377 -0.912 1.00 0.00 O ATOM 913 CB LEU A 59 1.243 -0.636 -3.853 1.00 0.00 C ATOM 914 CG LEU A 59 2.343 -1.089 -4.816 1.00 0.00 C ATOM 915 CD1 LEU A 59 2.006 -0.621 -6.233 1.00 0.00 C ATOM 916 CD2 LEU A 59 3.679 -0.481 -4.384 1.00 0.00 C ATOM 0 H LEU A 59 -0.628 -1.285 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 59 2.116 -2.177 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.263 -0.833 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.309 0.440 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 59 2.415 -2.177 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.789 -0.944 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.054 -1.052 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.935 0.467 -6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.464 -0.803 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.606 0.606 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.920 -0.813 -3.374 1.00 0.00 H new ATOM 928 N TYR A 60 3.152 -0.483 -1.120 1.00 0.00 N ATOM 929 CA TYR A 60 3.720 0.387 -0.096 1.00 0.00 C ATOM 930 C TYR A 60 4.389 1.605 -0.728 1.00 0.00 C ATOM 931 O TYR A 60 5.380 1.479 -1.446 1.00 0.00 O ATOM 932 CB TYR A 60 4.747 -0.389 0.732 1.00 0.00 C ATOM 933 CG TYR A 60 5.472 0.559 1.657 1.00 0.00 C ATOM 934 CD1 TYR A 60 6.573 1.286 1.190 1.00 0.00 C ATOM 935 CD2 TYR A 60 5.043 0.709 2.982 1.00 0.00 C ATOM 936 CE1 TYR A 60 7.247 2.164 2.048 1.00 0.00 C ATOM 937 CE2 TYR A 60 5.717 1.587 3.840 1.00 0.00 C ATOM 938 CZ TYR A 60 6.819 2.314 3.373 1.00 0.00 C ATOM 939 OH TYR A 60 7.482 3.180 4.219 1.00 0.00 O ATOM 0 H TYR A 60 3.816 -1.128 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 60 2.912 0.730 0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.250 -1.168 1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.459 -0.886 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.903 1.170 0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.193 0.148 3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.097 2.725 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.387 1.703 4.862 1.00 0.00 H new ATOM 0 HH TYR A 60 8.057 3.775 3.693 1.00 0.00 H new ATOM 949 N VAL A 61 3.841 2.786 -0.450 1.00 0.00 N ATOM 950 CA VAL A 61 4.396 4.023 -0.990 1.00 0.00 C ATOM 951 C VAL A 61 4.779 4.967 0.144 1.00 0.00 C ATOM 952 O VAL A 61 4.155 4.958 1.206 1.00 0.00 O ATOM 953 CB VAL A 61 3.374 4.704 -1.903 1.00 0.00 C ATOM 954 CG1 VAL A 61 4.063 5.798 -2.719 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.768 3.668 -2.852 1.00 0.00 C ATOM 0 H VAL A 61 3.020 2.911 0.141 1.00 0.00 H new ATOM 0 HA VAL A 61 5.287 3.781 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 61 2.586 5.148 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.333 6.282 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.495 6.537 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.853 5.356 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.040 4.152 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.558 3.224 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.274 2.888 -2.272 1.00 0.00 H new ATOM 965 N THR A 62 5.807 5.777 -0.083 1.00 0.00 N ATOM 966 CA THR A 62 6.260 6.715 0.937 1.00 0.00 C ATOM 967 C THR A 62 6.541 8.085 0.330 1.00 0.00 C ATOM 968 O THR A 62 6.672 8.223 -0.885 1.00 0.00 O ATOM 969 CB THR A 62 7.530 6.185 1.607 1.00 0.00 C ATOM 970 OG1 THR A 62 8.025 7.158 2.516 1.00 0.00 O ATOM 971 CG2 THR A 62 8.586 5.894 0.540 1.00 0.00 C ATOM 0 H THR A 62 6.337 5.804 -0.954 1.00 0.00 H new ATOM 0 HA THR A 62 5.469 6.817 1.680 1.00 0.00 H new ATOM 0 HB THR A 62 7.301 5.267 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.016 6.791 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.491 5.517 1.017 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.204 5.147 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.817 6.811 -0.003 1.00 0.00 H new ATOM 979 N GLU A 63 6.633 9.095 1.190 1.00 0.00 N ATOM 980 CA GLU A 63 6.902 10.453 0.734 1.00 0.00 C ATOM 981 C GLU A 63 7.959 10.450 -0.367 1.00 0.00 C ATOM 982 O GLU A 63 7.781 11.072 -1.413 1.00 0.00 O ATOM 983 CB GLU A 63 7.386 11.309 1.906 1.00 0.00 C ATOM 984 CG GLU A 63 8.092 12.557 1.373 1.00 0.00 C ATOM 985 CD GLU A 63 7.371 13.075 0.133 1.00 0.00 C ATOM 986 OE1 GLU A 63 6.156 13.174 0.175 1.00 0.00 O ATOM 987 OE2 GLU A 63 8.045 13.365 -0.842 1.00 0.00 O ATOM 0 H GLU A 63 6.526 8.999 2.200 1.00 0.00 H new ATOM 0 HA GLU A 63 5.979 10.872 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.542 11.596 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.067 10.733 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.112 13.330 2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.128 12.323 1.130 1.00 0.00 H new ATOM 994 N ALA A 64 9.059 9.744 -0.122 1.00 0.00 N ATOM 995 CA ALA A 64 10.136 9.668 -1.100 1.00 0.00 C ATOM 996 C ALA A 64 9.579 9.355 -2.486 1.00 0.00 C ATOM 997 O ALA A 64 10.148 9.758 -3.500 1.00 0.00 O ATOM 998 CB ALA A 64 11.137 8.585 -0.694 1.00 0.00 C ATOM 0 H ALA A 64 9.226 9.221 0.738 1.00 0.00 H new ATOM 0 HA ALA A 64 10.641 10.634 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.938 8.536 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.557 8.825 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.630 7.621 -0.644 1.00 0.00 H new ATOM 1004 N ASP A 65 8.464 8.633 -2.519 1.00 0.00 N ATOM 1005 CA ASP A 65 7.837 8.271 -3.786 1.00 0.00 C ATOM 1006 C ASP A 65 7.073 9.458 -4.363 1.00 0.00 C ATOM 1007 O ASP A 65 7.175 9.754 -5.554 1.00 0.00 O ATOM 1008 CB ASP A 65 6.877 7.099 -3.576 1.00 0.00 C ATOM 1009 CG ASP A 65 7.624 5.911 -2.981 1.00 0.00 C ATOM 1010 OD1 ASP A 65 8.565 6.139 -2.238 1.00 0.00 O ATOM 1011 OD2 ASP A 65 7.245 4.789 -3.276 1.00 0.00 O ATOM 0 H ASP A 65 7.979 8.289 -1.690 1.00 0.00 H new ATOM 0 HA ASP A 65 8.619 7.980 -4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.066 7.398 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.424 6.815 -4.526 1.00 0.00 H new ATOM 1016 N LEU A 66 6.307 10.133 -3.512 1.00 0.00 N ATOM 1017 CA LEU A 66 5.529 11.286 -3.949 1.00 0.00 C ATOM 1018 C LEU A 66 6.399 12.250 -4.749 1.00 0.00 C ATOM 1019 O LEU A 66 5.961 12.806 -5.756 1.00 0.00 O ATOM 1020 CB LEU A 66 4.943 12.013 -2.736 1.00 0.00 C ATOM 1021 CG LEU A 66 4.372 13.360 -3.179 1.00 0.00 C ATOM 1022 CD1 LEU A 66 2.995 13.563 -2.543 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.312 14.482 -2.731 1.00 0.00 C ATOM 0 H LEU A 66 6.209 9.904 -2.523 1.00 0.00 H new ATOM 0 HA LEU A 66 4.719 10.931 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.161 11.407 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.714 12.163 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 66 4.276 13.377 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.587 14.523 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.326 12.763 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.090 13.548 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.907 15.444 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.406 14.466 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.293 14.336 -3.182 1.00 0.00 H new ATOM 1035 N VAL A 67 7.632 12.443 -4.293 1.00 0.00 N ATOM 1036 CA VAL A 67 8.556 13.344 -4.974 1.00 0.00 C ATOM 1037 C VAL A 67 8.895 12.817 -6.366 1.00 0.00 C ATOM 1038 O VAL A 67 8.945 13.578 -7.332 1.00 0.00 O ATOM 1039 CB VAL A 67 9.839 13.491 -4.155 1.00 0.00 C ATOM 1040 CG1 VAL A 67 10.938 14.094 -5.031 1.00 0.00 C ATOM 1041 CG2 VAL A 67 9.576 14.413 -2.961 1.00 0.00 C ATOM 0 H VAL A 67 8.013 11.992 -3.461 1.00 0.00 H new ATOM 0 HA VAL A 67 8.076 14.317 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 67 10.157 12.512 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.852 14.199 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.124 13.440 -5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.622 15.074 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.489 14.519 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.259 15.392 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.792 13.985 -2.336 1.00 0.00 H new ATOM 1051 N ALA A 68 9.129 11.513 -6.460 1.00 0.00 N ATOM 1052 CA ALA A 68 9.465 10.897 -7.739 1.00 0.00 C ATOM 1053 C ALA A 68 8.204 10.414 -8.450 1.00 0.00 C ATOM 1054 O ALA A 68 8.252 9.483 -9.254 1.00 0.00 O ATOM 1055 CB ALA A 68 10.413 9.717 -7.519 1.00 0.00 C ATOM 0 H ALA A 68 9.093 10.866 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 68 9.956 11.645 -8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.658 9.263 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.327 10.069 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.931 8.977 -6.881 1.00 0.00 H new ATOM 1061 N GLY A 69 7.079 11.052 -8.148 1.00 0.00 N ATOM 1062 CA GLY A 69 5.811 10.679 -8.765 1.00 0.00 C ATOM 1063 C GLY A 69 5.916 10.712 -10.286 1.00 0.00 C ATOM 1064 O GLY A 69 4.970 10.361 -10.992 1.00 0.00 O ATOM 0 H GLY A 69 7.018 11.824 -7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.523 9.680 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.027 11.361 -8.436 1.00 0.00 H new ATOM 1068 N ASN A 70 7.072 11.136 -10.784 1.00 0.00 N ATOM 1069 CA ASN A 70 7.293 11.214 -12.223 1.00 0.00 C ATOM 1070 C ASN A 70 7.866 9.900 -12.748 1.00 0.00 C ATOM 1071 O ASN A 70 8.720 9.894 -13.634 1.00 0.00 O ATOM 1072 CB ASN A 70 8.256 12.359 -12.539 1.00 0.00 C ATOM 1073 CG ASN A 70 8.450 12.481 -14.047 1.00 0.00 C ATOM 1074 OD1 ASN A 70 7.532 12.202 -14.817 1.00 0.00 O ATOM 1075 ND2 ASN A 70 9.599 12.886 -14.516 1.00 0.00 N ATOM 0 H ASN A 70 7.867 11.430 -10.216 1.00 0.00 H new ATOM 0 HA ASN A 70 6.337 11.399 -12.712 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.865 13.294 -12.138 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.216 12.181 -12.054 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.737 12.972 -15.523 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.359 13.117 -13.875 1.00 0.00 H new ATOM 1082 N GLY A 71 7.387 8.791 -12.193 1.00 0.00 N ATOM 1083 CA GLY A 71 7.856 7.475 -12.611 1.00 0.00 C ATOM 1084 C GLY A 71 7.075 6.373 -11.903 1.00 0.00 C ATOM 1085 O GLY A 71 6.845 5.303 -12.465 1.00 0.00 O ATOM 0 H GLY A 71 6.680 8.777 -11.458 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.745 7.370 -13.690 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.918 7.375 -12.389 1.00 0.00 H new ATOM 1089 N TYR A 72 6.668 6.645 -10.668 1.00 0.00 N ATOM 1090 CA TYR A 72 5.910 5.671 -9.891 1.00 0.00 C ATOM 1091 C TYR A 72 4.431 5.729 -10.261 1.00 0.00 C ATOM 1092 O TYR A 72 3.758 4.701 -10.334 1.00 0.00 O ATOM 1093 CB TYR A 72 6.075 5.954 -8.396 1.00 0.00 C ATOM 1094 CG TYR A 72 6.072 4.652 -7.633 1.00 0.00 C ATOM 1095 CD1 TYR A 72 7.186 3.808 -7.681 1.00 0.00 C ATOM 1096 CD2 TYR A 72 4.950 4.289 -6.876 1.00 0.00 C ATOM 1097 CE1 TYR A 72 7.183 2.602 -6.971 1.00 0.00 C ATOM 1098 CE2 TYR A 72 4.947 3.083 -6.167 1.00 0.00 C ATOM 1099 CZ TYR A 72 6.063 2.238 -6.215 1.00 0.00 C ATOM 1100 OH TYR A 72 6.059 1.049 -5.515 1.00 0.00 O ATOM 0 H TYR A 72 6.849 7.526 -10.186 1.00 0.00 H new ATOM 0 HA TYR A 72 6.292 4.675 -10.116 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.007 6.490 -8.217 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.266 6.595 -8.045 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.049 4.087 -8.267 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.089 4.939 -6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.045 1.952 -7.007 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.083 2.803 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 72 5.784 1.215 -4.589 1.00 0.00 H new ATOM 1110 N ARG A 73 3.933 6.939 -10.494 1.00 0.00 N ATOM 1111 CA ARG A 73 2.532 7.122 -10.855 1.00 0.00 C ATOM 1112 C ARG A 73 2.133 6.158 -11.967 1.00 0.00 C ATOM 1113 O ARG A 73 1.127 5.457 -11.862 1.00 0.00 O ATOM 1114 CB ARG A 73 2.299 8.562 -11.317 1.00 0.00 C ATOM 1115 CG ARG A 73 0.797 8.845 -11.372 1.00 0.00 C ATOM 1116 CD ARG A 73 0.558 10.211 -12.016 1.00 0.00 C ATOM 1117 NE ARG A 73 -0.519 10.126 -12.996 1.00 0.00 N ATOM 1118 CZ ARG A 73 -0.265 9.882 -14.277 1.00 0.00 C ATOM 1119 NH1 ARG A 73 0.966 9.711 -14.678 1.00 0.00 N ATOM 1120 NH2 ARG A 73 -1.245 9.812 -15.134 1.00 0.00 N ATOM 0 H ARG A 73 4.474 7.802 -10.440 1.00 0.00 H new ATOM 0 HA ARG A 73 1.919 6.917 -9.977 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.786 9.257 -10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.745 8.716 -12.300 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.291 8.068 -11.944 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.376 8.826 -10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.304 10.943 -11.249 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.472 10.558 -12.498 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.484 10.256 -12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.733 9.765 -14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.161 9.524 -15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.207 9.945 -14.821 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.050 9.625 -16.118 1.00 0.00 H new ATOM 1134 N LYS A 74 2.927 6.129 -13.033 1.00 0.00 N ATOM 1135 CA LYS A 74 2.644 5.245 -14.158 1.00 0.00 C ATOM 1136 C LYS A 74 2.504 3.803 -13.684 1.00 0.00 C ATOM 1137 O LYS A 74 1.598 3.085 -14.104 1.00 0.00 O ATOM 1138 CB LYS A 74 3.767 5.339 -15.191 1.00 0.00 C ATOM 1139 CG LYS A 74 3.711 6.702 -15.885 1.00 0.00 C ATOM 1140 CD LYS A 74 4.936 6.868 -16.786 1.00 0.00 C ATOM 1141 CE LYS A 74 5.282 8.353 -16.908 1.00 0.00 C ATOM 1142 NZ LYS A 74 4.027 9.150 -17.017 1.00 0.00 N ATOM 0 H LYS A 74 3.764 6.702 -13.141 1.00 0.00 H new ATOM 0 HA LYS A 74 1.705 5.557 -14.614 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.734 5.206 -14.706 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.667 4.541 -15.926 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.799 6.784 -16.476 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.682 7.499 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.782 6.319 -16.372 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.735 6.448 -17.772 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.856 8.676 -16.039 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.909 8.520 -17.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.226 10.045 -17.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.319 8.611 -17.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.659 9.351 -16.065 1.00 0.00 H new ATOM 1156 N ARG A 75 3.409 3.386 -12.804 1.00 0.00 N ATOM 1157 CA ARG A 75 3.379 2.027 -12.277 1.00 0.00 C ATOM 1158 C ARG A 75 1.981 1.678 -11.774 1.00 0.00 C ATOM 1159 O ARG A 75 1.423 0.640 -12.131 1.00 0.00 O ATOM 1160 CB ARG A 75 4.382 1.892 -11.129 1.00 0.00 C ATOM 1161 CG ARG A 75 5.224 0.631 -11.326 1.00 0.00 C ATOM 1162 CD ARG A 75 6.215 0.496 -10.170 1.00 0.00 C ATOM 1163 NE ARG A 75 6.811 -0.835 -10.167 1.00 0.00 N ATOM 1164 CZ ARG A 75 7.598 -1.234 -9.174 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.848 -0.428 -8.177 1.00 0.00 N ATOM 1166 NH2 ARG A 75 8.122 -2.428 -9.195 1.00 0.00 N ATOM 0 H ARG A 75 4.167 3.965 -12.443 1.00 0.00 H new ATOM 0 HA ARG A 75 3.647 1.340 -13.079 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.027 2.770 -11.092 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.855 1.844 -10.176 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.579 -0.247 -11.371 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.759 0.682 -12.274 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.996 1.251 -10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.706 0.676 -9.223 1.00 0.00 H new ATOM 0 HE ARG A 75 6.620 -1.471 -10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.439 0.506 -8.162 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.452 -0.733 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.928 -3.057 -9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.726 -2.733 -8.432 1.00 0.00 H new ATOM 1180 N LEU A 76 1.425 2.549 -10.940 1.00 0.00 N ATOM 1181 CA LEU A 76 0.094 2.326 -10.386 1.00 0.00 C ATOM 1182 C LEU A 76 -0.919 2.069 -11.497 1.00 0.00 C ATOM 1183 O LEU A 76 -1.780 1.197 -11.376 1.00 0.00 O ATOM 1184 CB LEU A 76 -0.340 3.545 -9.571 1.00 0.00 C ATOM 1185 CG LEU A 76 0.722 3.855 -8.513 1.00 0.00 C ATOM 1186 CD1 LEU A 76 0.480 5.250 -7.931 1.00 0.00 C ATOM 1187 CD2 LEU A 76 0.639 2.816 -7.392 1.00 0.00 C ATOM 0 H LEU A 76 1.872 3.413 -10.633 1.00 0.00 H new ATOM 0 HA LEU A 76 0.134 1.449 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.477 4.405 -10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.300 3.353 -9.093 1.00 0.00 H new ATOM 0 HG LEU A 76 1.710 3.822 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.238 5.467 -7.178 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.537 5.992 -8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.508 5.286 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.394 3.034 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.350 2.851 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.814 1.822 -7.804 1.00 0.00 H new ATOM 1199 N VAL A 77 -0.813 2.834 -12.578 1.00 0.00 N ATOM 1200 CA VAL A 77 -1.729 2.681 -13.702 1.00 0.00 C ATOM 1201 C VAL A 77 -1.695 1.252 -14.237 1.00 0.00 C ATOM 1202 O VAL A 77 -2.708 0.731 -14.703 1.00 0.00 O ATOM 1203 CB VAL A 77 -1.351 3.652 -14.820 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -2.318 3.483 -15.993 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -1.434 5.088 -14.297 1.00 0.00 C ATOM 0 H VAL A 77 -0.108 3.561 -12.700 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.738 2.901 -13.352 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.335 3.443 -15.153 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.048 4.176 -16.790 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.262 2.461 -16.366 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.334 3.692 -15.660 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.165 5.781 -15.094 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.451 5.296 -13.964 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.746 5.211 -13.461 1.00 0.00 H new ATOM 1215 N ARG A 78 -0.524 0.625 -14.169 1.00 0.00 N ATOM 1216 CA ARG A 78 -0.376 -0.743 -14.654 1.00 0.00 C ATOM 1217 C ARG A 78 -1.339 -1.677 -13.929 1.00 0.00 C ATOM 1218 O ARG A 78 -2.052 -2.459 -14.558 1.00 0.00 O ATOM 1219 CB ARG A 78 1.061 -1.223 -14.441 1.00 0.00 C ATOM 1220 CG ARG A 78 1.475 -2.118 -15.613 1.00 0.00 C ATOM 1221 CD ARG A 78 2.695 -2.952 -15.218 1.00 0.00 C ATOM 1222 NE ARG A 78 3.765 -2.771 -16.194 1.00 0.00 N ATOM 1223 CZ ARG A 78 4.579 -3.771 -16.518 1.00 0.00 C ATOM 1224 NH1 ARG A 78 4.427 -4.943 -15.963 1.00 0.00 N ATOM 1225 NH2 ARG A 78 5.529 -3.581 -17.391 1.00 0.00 N ATOM 0 H ARG A 78 0.327 1.037 -13.787 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.608 -0.756 -15.719 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.734 -0.369 -14.365 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.137 -1.774 -13.503 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.650 -2.773 -15.892 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.707 -1.507 -16.486 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.042 -2.656 -14.228 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.421 -4.005 -15.159 1.00 0.00 H new ATOM 0 HE ARG A 78 3.891 -1.860 -16.636 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.684 -5.092 -15.281 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.052 -5.710 -16.212 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.647 -2.665 -17.825 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.154 -4.348 -17.640 1.00 0.00 H new ATOM 1239 N VAL A 79 -1.354 -1.593 -12.603 1.00 0.00 N ATOM 1240 CA VAL A 79 -2.234 -2.438 -11.803 1.00 0.00 C ATOM 1241 C VAL A 79 -3.650 -2.425 -12.372 1.00 0.00 C ATOM 1242 O VAL A 79 -4.311 -3.460 -12.441 1.00 0.00 O ATOM 1243 CB VAL A 79 -2.256 -1.947 -10.355 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -3.093 -2.904 -9.504 1.00 0.00 C ATOM 1245 CG2 VAL A 79 -0.826 -1.902 -9.813 1.00 0.00 C ATOM 0 H VAL A 79 -0.772 -0.954 -12.062 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.853 -3.459 -11.832 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.693 -0.949 -10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.109 -2.554 -8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.111 -2.939 -9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.656 -3.902 -9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.839 -1.552 -8.781 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.390 -2.900 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.228 -1.221 -10.419 1.00 0.00 H new ATOM 1255 N ARG A 80 -4.109 -1.245 -12.780 1.00 0.00 N ATOM 1256 CA ARG A 80 -5.447 -1.111 -13.344 1.00 0.00 C ATOM 1257 C ARG A 80 -5.446 -1.501 -14.818 1.00 0.00 C ATOM 1258 O ARG A 80 -6.487 -1.832 -15.384 1.00 0.00 O ATOM 1259 CB ARG A 80 -5.934 0.333 -13.196 1.00 0.00 C ATOM 1260 CG ARG A 80 -7.454 0.380 -13.367 1.00 0.00 C ATOM 1261 CD ARG A 80 -7.912 1.835 -13.481 1.00 0.00 C ATOM 1262 NE ARG A 80 -9.277 1.899 -13.995 1.00 0.00 N ATOM 1263 CZ ARG A 80 -9.521 2.136 -15.281 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -8.533 2.310 -16.115 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -10.752 2.196 -15.709 1.00 0.00 N ATOM 0 H ARG A 80 -3.579 -0.375 -12.731 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.119 -1.777 -12.803 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.655 0.723 -12.217 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.454 0.968 -13.941 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.747 -0.175 -14.258 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.941 -0.100 -12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.861 2.317 -12.505 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.241 2.384 -14.142 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.059 1.759 -13.355 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.570 2.264 -15.782 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.723 2.492 -17.100 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.525 2.061 -15.058 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.941 2.378 -16.695 1.00 0.00 H new ATOM 1279 N ASN A 81 -4.269 -1.459 -15.434 1.00 0.00 N ATOM 1280 CA ASN A 81 -4.143 -1.810 -16.844 1.00 0.00 C ATOM 1281 C ASN A 81 -4.475 -3.284 -17.062 1.00 0.00 C ATOM 1282 O ASN A 81 -4.873 -3.684 -18.156 1.00 0.00 O ATOM 1283 CB ASN A 81 -2.722 -1.526 -17.331 1.00 0.00 C ATOM 1284 CG ASN A 81 -2.645 -1.703 -18.844 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -1.915 -2.566 -19.333 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -3.361 -0.934 -19.617 1.00 0.00 N ATOM 0 H ASN A 81 -3.395 -1.188 -14.983 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.847 -1.203 -17.413 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.432 -0.511 -17.060 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.019 -2.200 -16.841 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.317 -1.046 -20.630 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.965 -0.220 -19.209 1.00 0.00 H new ATOM 1293 N SER A 82 -4.307 -4.086 -16.015 1.00 0.00 N ATOM 1294 CA SER A 82 -4.592 -5.514 -16.107 1.00 0.00 C ATOM 1295 C SER A 82 -6.042 -5.744 -16.523 1.00 0.00 C ATOM 1296 O SER A 82 -6.313 -6.220 -17.625 1.00 0.00 O ATOM 1297 CB SER A 82 -4.334 -6.185 -14.757 1.00 0.00 C ATOM 1298 OG SER A 82 -5.182 -7.320 -14.629 1.00 0.00 O ATOM 0 H SER A 82 -3.978 -3.775 -15.101 1.00 0.00 H new ATOM 0 HA SER A 82 -3.936 -5.950 -16.860 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.289 -6.486 -14.681 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.523 -5.482 -13.946 1.00 0.00 H new ATOM 0 HG SER A 82 -4.771 -7.969 -14.021 1.00 0.00 H new ATOM 1304 N ASN A 83 -6.969 -5.406 -15.632 1.00 0.00 N ATOM 1305 CA ASN A 83 -8.389 -5.579 -15.917 1.00 0.00 C ATOM 1306 C ASN A 83 -9.231 -4.703 -14.996 1.00 0.00 C ATOM 1307 O ASN A 83 -9.852 -3.736 -15.438 1.00 0.00 O ATOM 1308 CB ASN A 83 -8.783 -7.046 -15.733 1.00 0.00 C ATOM 1309 CG ASN A 83 -10.036 -7.355 -16.546 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -11.152 -7.113 -16.086 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -9.917 -7.880 -17.735 1.00 0.00 N ATOM 0 H ASN A 83 -6.765 -5.014 -14.713 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.573 -5.281 -16.949 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.965 -7.693 -16.050 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.963 -7.253 -14.678 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -10.750 -8.091 -18.285 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.991 -8.080 -18.114 1.00 0.00 H new ATOM 1318 N ASN A 84 -9.248 -5.047 -13.711 1.00 0.00 N ATOM 1319 CA ASN A 84 -10.017 -4.283 -12.736 1.00 0.00 C ATOM 1320 C ASN A 84 -9.836 -4.864 -11.338 1.00 0.00 C ATOM 1321 O ASN A 84 -10.779 -5.391 -10.747 1.00 0.00 O ATOM 1322 CB ASN A 84 -11.500 -4.300 -13.110 1.00 0.00 C ATOM 1323 CG ASN A 84 -12.320 -3.624 -12.017 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -11.743 -2.773 -11.214 1.00 0.00 O flip ATOM 1325 ND2 ASN A 84 -13.518 -3.879 -11.891 1.00 0.00 N flip ATOM 0 H ASN A 84 -8.742 -5.844 -13.324 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.654 -3.255 -12.740 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.650 -3.786 -14.059 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.837 -5.327 -13.247 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.967 -4.545 -12.520 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.062 -3.424 -11.157 1.00 0.00 H new ATOM 1332 N LEU A 85 -8.619 -4.765 -10.814 1.00 0.00 N ATOM 1333 CA LEU A 85 -8.325 -5.284 -9.483 1.00 0.00 C ATOM 1334 C LEU A 85 -8.531 -4.202 -8.430 1.00 0.00 C ATOM 1335 O LEU A 85 -7.990 -3.101 -8.543 1.00 0.00 O ATOM 1336 CB LEU A 85 -6.881 -5.787 -9.425 1.00 0.00 C ATOM 1337 CG LEU A 85 -6.685 -6.899 -10.456 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -6.114 -6.306 -11.745 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -5.709 -7.941 -9.900 1.00 0.00 C ATOM 0 H LEU A 85 -7.825 -4.333 -11.287 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.005 -6.110 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.191 -4.967 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.654 -6.159 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.644 -7.372 -10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.974 -7.099 -12.480 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.805 -5.562 -12.141 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.155 -5.834 -11.534 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.568 -8.735 -10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.751 -7.466 -9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.113 -8.364 -8.981 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.313 -4.521 -7.404 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.581 -3.567 -6.334 1.00 0.00 C ATOM 1353 C LYS A 86 -8.635 -3.803 -5.161 1.00 0.00 C ATOM 1354 O LYS A 86 -8.955 -4.546 -4.233 1.00 0.00 O ATOM 1355 CB LYS A 86 -11.029 -3.706 -5.862 1.00 0.00 C ATOM 1356 CG LYS A 86 -11.476 -5.162 -6.013 1.00 0.00 C ATOM 1357 CD LYS A 86 -12.873 -5.332 -5.412 1.00 0.00 C ATOM 1358 CE LYS A 86 -12.751 -5.897 -3.996 1.00 0.00 C ATOM 1359 NZ LYS A 86 -11.623 -5.228 -3.289 1.00 0.00 N ATOM 0 H LYS A 86 -9.769 -5.426 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.421 -2.560 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.115 -3.394 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.678 -3.053 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.485 -5.443 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.770 -5.824 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.390 -4.373 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.469 -6.001 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.681 -5.740 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.582 -6.973 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.529 -5.624 -2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.741 -5.385 -3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.811 -4.207 -3.224 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.469 -3.168 -5.210 1.00 0.00 N ATOM 1374 CA GLY A 87 -6.482 -3.320 -4.148 1.00 0.00 C ATOM 1375 C GLY A 87 -6.441 -2.084 -3.255 1.00 0.00 C ATOM 1376 O GLY A 87 -7.122 -1.092 -3.518 1.00 0.00 O ATOM 0 H GLY A 87 -7.186 -2.547 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.721 -4.198 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.498 -3.490 -4.584 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.636 -2.152 -2.199 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.511 -1.034 -1.272 1.00 0.00 C ATOM 1382 C ILE A 88 -4.174 -0.327 -1.467 1.00 0.00 C ATOM 1383 O ILE A 88 -3.139 -0.972 -1.636 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.623 -1.532 0.169 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -7.006 -2.150 0.389 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -5.432 -0.359 1.131 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -6.862 -3.466 1.155 1.00 0.00 C ATOM 0 H ILE A 88 -5.064 -2.964 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.317 -0.328 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.855 -2.283 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.640 -1.460 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.494 -2.327 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.512 -0.714 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.448 0.083 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.200 0.392 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.847 -3.906 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.244 -4.156 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.392 -3.276 2.120 1.00 0.00 H new ATOM 1399 N VAL A 89 -4.204 1.001 -1.445 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.986 1.783 -1.624 1.00 0.00 C ATOM 1401 C VAL A 89 -2.579 2.457 -0.318 1.00 0.00 C ATOM 1402 O VAL A 89 -3.306 3.298 0.212 1.00 0.00 O ATOM 1403 CB VAL A 89 -3.203 2.844 -2.703 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -1.863 3.191 -3.354 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -4.160 2.301 -3.767 1.00 0.00 C ATOM 0 H VAL A 89 -5.050 1.554 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.187 1.108 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.631 3.739 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.017 3.947 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.180 3.577 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.435 2.296 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.315 3.057 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.732 1.406 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.115 2.053 -3.304 1.00 0.00 H new ATOM 1415 N VAL A 90 -1.410 2.084 0.195 1.00 0.00 N ATOM 1416 CA VAL A 90 -0.911 2.661 1.438 1.00 0.00 C ATOM 1417 C VAL A 90 0.196 3.669 1.150 1.00 0.00 C ATOM 1418 O VAL A 90 1.093 3.406 0.349 1.00 0.00 O ATOM 1419 CB VAL A 90 -0.371 1.558 2.348 1.00 0.00 C ATOM 1420 CG1 VAL A 90 -0.147 2.117 3.754 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -1.379 0.407 2.413 1.00 0.00 C ATOM 0 H VAL A 90 -0.794 1.389 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.735 3.171 1.937 1.00 0.00 H new ATOM 0 HB VAL A 90 0.574 1.191 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.238 1.329 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.572 2.935 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.092 2.486 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.993 -0.379 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.325 0.774 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.538 0.005 1.412 1.00 0.00 H new ATOM 1431 N VAL A 91 0.130 4.823 1.807 1.00 0.00 N ATOM 1432 CA VAL A 91 1.137 5.860 1.610 1.00 0.00 C ATOM 1433 C VAL A 91 1.767 6.258 2.942 1.00 0.00 C ATOM 1434 O VAL A 91 1.068 6.463 3.934 1.00 0.00 O ATOM 1435 CB VAL A 91 0.500 7.088 0.956 1.00 0.00 C ATOM 1436 CG1 VAL A 91 1.590 7.944 0.309 1.00 0.00 C ATOM 1437 CG2 VAL A 91 -0.496 6.637 -0.115 1.00 0.00 C ATOM 0 H VAL A 91 -0.603 5.062 2.475 1.00 0.00 H new ATOM 0 HA VAL A 91 1.916 5.464 0.958 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.021 7.674 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.137 8.819 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.300 8.266 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.111 7.358 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.950 7.512 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.025 6.051 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.273 6.026 0.345 1.00 0.00 H new ATOM 1447 N GLU A 92 3.093 6.368 2.955 1.00 0.00 N ATOM 1448 CA GLU A 92 3.808 6.744 4.171 1.00 0.00 C ATOM 1449 C GLU A 92 4.133 8.234 4.160 1.00 0.00 C ATOM 1450 O GLU A 92 5.089 8.666 3.515 1.00 0.00 O ATOM 1451 CB GLU A 92 5.104 5.937 4.282 1.00 0.00 C ATOM 1452 CG GLU A 92 5.444 5.713 5.758 1.00 0.00 C ATOM 1453 CD GLU A 92 6.914 5.331 5.900 1.00 0.00 C ATOM 1454 OE1 GLU A 92 7.728 5.915 5.204 1.00 0.00 O ATOM 1455 OE2 GLU A 92 7.205 4.459 6.703 1.00 0.00 O ATOM 0 H GLU A 92 3.690 6.204 2.144 1.00 0.00 H new ATOM 0 HA GLU A 92 3.171 6.529 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.992 4.979 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.918 6.467 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.238 6.618 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.813 4.925 6.170 1.00 0.00 H new ATOM 1462 N LYS A 93 3.332 9.015 4.877 1.00 0.00 N ATOM 1463 CA LYS A 93 3.545 10.457 4.940 1.00 0.00 C ATOM 1464 C LYS A 93 4.804 10.780 5.739 1.00 0.00 C ATOM 1465 O LYS A 93 5.029 10.223 6.814 1.00 0.00 O ATOM 1466 CB LYS A 93 2.339 11.136 5.593 1.00 0.00 C ATOM 1467 CG LYS A 93 1.900 10.330 6.817 1.00 0.00 C ATOM 1468 CD LYS A 93 1.577 11.285 7.969 1.00 0.00 C ATOM 1469 CE LYS A 93 2.873 11.903 8.498 1.00 0.00 C ATOM 1470 NZ LYS A 93 3.108 13.215 7.830 1.00 0.00 N ATOM 0 H LYS A 93 2.536 8.678 5.418 1.00 0.00 H new ATOM 0 HA LYS A 93 3.667 10.830 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.597 12.153 5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.519 11.209 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.025 9.727 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.690 9.640 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.901 12.069 7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.065 10.748 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.809 12.039 9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.711 11.232 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.864 13.114 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.234 13.527 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.390 13.920 8.540 1.00 0.00 H new ATOM 1484 N THR A 94 5.622 11.683 5.207 1.00 0.00 N ATOM 1485 CA THR A 94 6.856 12.071 5.881 1.00 0.00 C ATOM 1486 C THR A 94 6.931 13.584 6.034 1.00 0.00 C ATOM 1487 O THR A 94 6.919 14.109 7.147 1.00 0.00 O ATOM 1488 CB THR A 94 8.066 11.579 5.085 1.00 0.00 C ATOM 1489 OG1 THR A 94 7.844 10.240 4.667 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.318 11.641 5.965 1.00 0.00 C ATOM 0 H THR A 94 5.455 12.156 4.319 1.00 0.00 H new ATOM 0 HA THR A 94 6.862 11.615 6.871 1.00 0.00 H new ATOM 0 HB THR A 94 8.208 12.214 4.210 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.688 9.850 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.180 11.290 5.397 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.488 12.669 6.284 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.179 11.008 6.841 1.00 0.00 H new ATOM 1498 N ARG A 95 7.012 14.276 4.907 1.00 0.00 N ATOM 1499 CA ARG A 95 7.093 15.731 4.919 1.00 0.00 C ATOM 1500 C ARG A 95 6.468 16.308 3.655 1.00 0.00 C ATOM 1501 O ARG A 95 5.375 16.874 3.691 1.00 0.00 O ATOM 1502 CB ARG A 95 8.557 16.167 5.016 1.00 0.00 C ATOM 1503 CG ARG A 95 9.459 14.934 4.926 1.00 0.00 C ATOM 1504 CD ARG A 95 10.923 15.373 4.899 1.00 0.00 C ATOM 1505 NE ARG A 95 11.113 16.438 3.922 1.00 0.00 N ATOM 1506 CZ ARG A 95 11.394 16.165 2.652 1.00 0.00 C ATOM 1507 NH1 ARG A 95 11.507 14.925 2.260 1.00 0.00 N ATOM 1508 NH2 ARG A 95 11.560 17.137 1.797 1.00 0.00 N ATOM 0 H ARG A 95 7.023 13.857 3.977 1.00 0.00 H new ATOM 0 HA ARG A 95 6.545 16.105 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.795 16.865 4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.731 16.691 5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.281 14.277 5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.223 14.363 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.224 15.719 5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.560 14.524 4.650 1.00 0.00 H new ATOM 0 HE ARG A 95 11.029 17.410 4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.380 14.165 2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.723 14.716 1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.474 18.106 2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.776 16.928 0.822 1.00 0.00 H new ATOM 1522 N MET A 96 7.168 16.156 2.537 1.00 0.00 N ATOM 1523 CA MET A 96 6.672 16.662 1.263 1.00 0.00 C ATOM 1524 C MET A 96 5.390 15.934 0.872 1.00 0.00 C ATOM 1525 O MET A 96 4.761 16.260 -0.134 1.00 0.00 O ATOM 1526 CB MET A 96 7.730 16.469 0.174 1.00 0.00 C ATOM 1527 CG MET A 96 8.027 17.811 -0.498 1.00 0.00 C ATOM 1528 SD MET A 96 9.264 17.575 -1.799 1.00 0.00 S ATOM 1529 CE MET A 96 9.800 19.300 -1.915 1.00 0.00 C ATOM 0 H MET A 96 8.074 15.690 2.486 1.00 0.00 H new ATOM 0 HA MET A 96 6.458 17.726 1.368 1.00 0.00 H new ATOM 0 HB2 MET A 96 8.642 16.059 0.608 1.00 0.00 H new ATOM 0 HB3 MET A 96 7.378 15.751 -0.566 1.00 0.00 H new ATOM 0 HG2 MET A 96 7.113 18.228 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 96 8.391 18.526 0.239 1.00 0.00 H new ATOM 0 HE1 MET A 96 10.577 19.389 -2.674 1.00 0.00 H new ATOM 0 HE2 MET A 96 8.951 19.927 -2.189 1.00 0.00 H new ATOM 0 HE3 MET A 96 10.195 19.624 -0.952 1.00 0.00 H new ATOM 1539 N SER A 97 5.010 14.948 1.679 1.00 0.00 N ATOM 1540 CA SER A 97 3.801 14.179 1.412 1.00 0.00 C ATOM 1541 C SER A 97 2.563 14.994 1.773 1.00 0.00 C ATOM 1542 O SER A 97 2.002 15.689 0.930 1.00 0.00 O ATOM 1543 CB SER A 97 3.814 12.882 2.222 1.00 0.00 C ATOM 1544 OG SER A 97 4.217 11.809 1.380 1.00 0.00 O ATOM 0 H SER A 97 5.518 14.665 2.517 1.00 0.00 H new ATOM 0 HA SER A 97 3.771 13.940 0.349 1.00 0.00 H new ATOM 0 HB2 SER A 97 4.497 12.974 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.824 12.686 2.633 1.00 0.00 H new ATOM 0 HG SER A 97 4.675 12.167 0.591 1.00 0.00 H new ATOM 1550 N GLU A 98 2.147 14.910 3.032 1.00 0.00 N ATOM 1551 CA GLU A 98 0.975 15.650 3.488 1.00 0.00 C ATOM 1552 C GLU A 98 0.901 17.006 2.795 1.00 0.00 C ATOM 1553 O GLU A 98 -0.178 17.575 2.629 1.00 0.00 O ATOM 1554 CB GLU A 98 1.050 15.858 5.003 1.00 0.00 C ATOM 1555 CG GLU A 98 0.005 14.982 5.691 1.00 0.00 C ATOM 1556 CD GLU A 98 -0.134 15.388 7.155 1.00 0.00 C ATOM 1557 OE1 GLU A 98 0.863 15.783 7.736 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -1.234 15.298 7.673 1.00 0.00 O ATOM 0 H GLU A 98 2.599 14.343 3.749 1.00 0.00 H new ATOM 0 HA GLU A 98 0.083 15.075 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.046 15.607 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.877 16.907 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.955 15.081 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.295 13.934 5.622 1.00 0.00 H new ATOM 1565 N GLN A 99 2.058 17.513 2.397 1.00 0.00 N ATOM 1566 CA GLN A 99 2.133 18.804 1.723 1.00 0.00 C ATOM 1567 C GLN A 99 1.527 18.726 0.324 1.00 0.00 C ATOM 1568 O GLN A 99 0.619 19.485 -0.015 1.00 0.00 O ATOM 1569 CB GLN A 99 3.596 19.232 1.613 1.00 0.00 C ATOM 1570 CG GLN A 99 3.679 20.745 1.431 1.00 0.00 C ATOM 1571 CD GLN A 99 2.781 21.187 0.280 1.00 0.00 C ATOM 1572 OE1 GLN A 99 1.555 21.559 0.526 1.00 0.00 O flip ATOM 1573 NE2 GLN A 99 3.210 21.197 -0.873 1.00 0.00 N flip ATOM 0 H GLN A 99 2.958 17.052 2.528 1.00 0.00 H new ATOM 0 HA GLN A 99 1.569 19.532 2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.140 18.934 2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.070 18.728 0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.377 21.246 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.710 21.039 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.169 20.906 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.607 21.497 -1.639 1.00 0.00 H new ATOM 1582 N TYR A 100 2.044 17.807 -0.483 1.00 0.00 N ATOM 1583 CA TYR A 100 1.558 17.634 -1.850 1.00 0.00 C ATOM 1584 C TYR A 100 0.937 16.252 -2.037 1.00 0.00 C ATOM 1585 O TYR A 100 0.690 15.821 -3.163 1.00 0.00 O ATOM 1586 CB TYR A 100 2.715 17.806 -2.837 1.00 0.00 C ATOM 1587 CG TYR A 100 2.704 19.211 -3.389 1.00 0.00 C ATOM 1588 CD1 TYR A 100 1.694 19.610 -4.272 1.00 0.00 C ATOM 1589 CD2 TYR A 100 3.706 20.115 -3.017 1.00 0.00 C ATOM 1590 CE1 TYR A 100 1.686 20.913 -4.782 1.00 0.00 C ATOM 1591 CE2 TYR A 100 3.698 21.419 -3.527 1.00 0.00 C ATOM 1592 CZ TYR A 100 2.687 21.817 -4.410 1.00 0.00 C ATOM 1593 OH TYR A 100 2.678 23.103 -4.912 1.00 0.00 O ATOM 0 H TYR A 100 2.797 17.172 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 100 0.795 18.389 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.664 17.607 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.624 17.085 -3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.921 18.913 -4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.486 19.806 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.907 21.221 -5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.471 22.117 -3.240 1.00 0.00 H new ATOM 0 HH TYR A 100 3.442 23.600 -4.552 1.00 0.00 H new ATOM 1603 N PHE A 101 0.697 15.558 -0.930 1.00 0.00 N ATOM 1604 CA PHE A 101 0.115 14.222 -0.990 1.00 0.00 C ATOM 1605 C PHE A 101 -1.345 14.278 -1.441 1.00 0.00 C ATOM 1606 O PHE A 101 -1.829 13.365 -2.108 1.00 0.00 O ATOM 1607 CB PHE A 101 0.208 13.540 0.378 1.00 0.00 C ATOM 1608 CG PHE A 101 -0.746 12.372 0.424 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -0.541 11.268 -0.413 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -1.837 12.392 1.302 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -1.426 10.185 -0.373 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -2.722 11.308 1.342 1.00 0.00 C ATOM 1613 CZ PHE A 101 -2.517 10.205 0.505 1.00 0.00 C ATOM 0 H PHE A 101 0.894 15.895 0.012 1.00 0.00 H new ATOM 0 HA PHE A 101 0.680 13.643 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.227 13.198 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.033 14.251 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.301 11.253 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.995 13.243 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.268 9.334 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.563 11.323 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.200 9.369 0.536 1.00 0.00 H new ATOM 1623 N PRO A 102 -2.049 15.325 -1.091 1.00 0.00 N ATOM 1624 CA PRO A 102 -3.484 15.491 -1.470 1.00 0.00 C ATOM 1625 C PRO A 102 -3.665 15.623 -2.980 1.00 0.00 C ATOM 1626 O PRO A 102 -4.488 14.929 -3.578 1.00 0.00 O ATOM 1627 CB PRO A 102 -3.921 16.779 -0.754 1.00 0.00 C ATOM 1628 CG PRO A 102 -2.846 17.091 0.236 1.00 0.00 C ATOM 1629 CD PRO A 102 -1.564 16.460 -0.297 1.00 0.00 C ATOM 0 HA PRO A 102 -4.079 14.624 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.045 17.596 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.881 16.641 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.728 18.168 0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.096 16.690 1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.994 17.162 -0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.910 16.134 0.512 1.00 0.00 H new ATOM 1637 N ALA A 103 -2.894 16.519 -3.589 1.00 0.00 N ATOM 1638 CA ALA A 103 -2.979 16.736 -5.028 1.00 0.00 C ATOM 1639 C ALA A 103 -2.856 15.414 -5.780 1.00 0.00 C ATOM 1640 O ALA A 103 -3.513 15.206 -6.799 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.869 17.686 -5.480 1.00 0.00 C ATOM 0 H ALA A 103 -2.208 17.103 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.950 17.178 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.940 17.843 -6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.976 18.641 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.898 17.252 -5.240 1.00 0.00 H new ATOM 1647 N LEU A 104 -2.011 14.524 -5.270 1.00 0.00 N ATOM 1648 CA LEU A 104 -1.815 13.226 -5.905 1.00 0.00 C ATOM 1649 C LEU A 104 -2.981 12.297 -5.586 1.00 0.00 C ATOM 1650 O LEU A 104 -3.382 11.481 -6.416 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.506 12.598 -5.418 1.00 0.00 C ATOM 1652 CG LEU A 104 0.301 12.102 -6.620 1.00 0.00 C ATOM 1653 CD1 LEU A 104 0.864 13.300 -7.386 1.00 0.00 C ATOM 1654 CD2 LEU A 104 1.456 11.225 -6.131 1.00 0.00 C ATOM 0 H LEU A 104 -1.456 14.675 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.765 13.371 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.073 13.330 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.717 11.770 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.346 11.521 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.439 12.947 -8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.044 13.928 -7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.511 13.880 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.032 10.871 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.102 11.807 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.058 10.371 -5.583 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.524 12.429 -4.379 1.00 0.00 N ATOM 1667 CA GLN A 105 -4.647 11.597 -3.964 1.00 0.00 C ATOM 1668 C GLN A 105 -5.894 11.951 -4.766 1.00 0.00 C ATOM 1669 O GLN A 105 -6.673 11.075 -5.139 1.00 0.00 O ATOM 1670 CB GLN A 105 -4.922 11.798 -2.472 1.00 0.00 C ATOM 1671 CG GLN A 105 -6.101 10.918 -2.044 1.00 0.00 C ATOM 1672 CD GLN A 105 -7.114 11.749 -1.264 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -8.274 12.016 -1.798 1.00 0.00 O flip ATOM 1674 NE2 GLN A 105 -6.842 12.166 -0.138 1.00 0.00 N flip ATOM 0 H GLN A 105 -3.207 13.098 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.393 10.553 -4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.036 11.544 -1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.145 12.846 -2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.576 10.480 -2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.745 10.092 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.935 11.956 0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.524 12.721 0.379 1.00 0.00 H new ATOM 1683 N LYS A 106 -6.072 13.240 -5.032 1.00 0.00 N ATOM 1684 CA LYS A 106 -7.226 13.699 -5.795 1.00 0.00 C ATOM 1685 C LYS A 106 -7.158 13.175 -7.226 1.00 0.00 C ATOM 1686 O LYS A 106 -8.185 12.976 -7.876 1.00 0.00 O ATOM 1687 CB LYS A 106 -7.267 15.228 -5.807 1.00 0.00 C ATOM 1688 CG LYS A 106 -8.591 15.704 -6.410 1.00 0.00 C ATOM 1689 CD LYS A 106 -8.468 17.176 -6.808 1.00 0.00 C ATOM 1690 CE LYS A 106 -8.080 18.004 -5.582 1.00 0.00 C ATOM 1691 NZ LYS A 106 -6.594 18.083 -5.487 1.00 0.00 N ATOM 0 H LYS A 106 -5.437 13.980 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.131 13.317 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.159 15.612 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.431 15.619 -6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.844 15.100 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.398 15.577 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -7.718 17.291 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.413 17.533 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.504 19.005 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.489 17.551 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.265 17.496 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.171 17.738 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.308 19.070 -5.328 1.00 0.00 H new ATOM 1705 N PHE A 107 -5.940 12.948 -7.707 1.00 0.00 N ATOM 1706 CA PHE A 107 -5.742 12.442 -9.060 1.00 0.00 C ATOM 1707 C PHE A 107 -5.904 10.925 -9.092 1.00 0.00 C ATOM 1708 O PHE A 107 -6.692 10.390 -9.872 1.00 0.00 O ATOM 1709 CB PHE A 107 -4.343 12.819 -9.558 1.00 0.00 C ATOM 1710 CG PHE A 107 -4.455 13.717 -10.768 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -4.634 13.159 -12.040 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -4.381 15.107 -10.618 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -4.739 13.991 -13.161 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -4.484 15.938 -11.738 1.00 0.00 C ATOM 1715 CZ PHE A 107 -4.664 15.381 -13.010 1.00 0.00 C ATOM 0 H PHE A 107 -5.079 13.106 -7.183 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.493 12.890 -9.711 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.790 13.326 -8.767 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.783 11.919 -9.812 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.691 12.087 -12.156 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.244 15.538 -9.637 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.878 13.561 -14.142 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -4.425 17.010 -11.622 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.745 16.023 -13.874 1.00 0.00 H new ATOM 1725 N THR A 108 -5.149 10.238 -8.240 1.00 0.00 N ATOM 1726 CA THR A 108 -5.212 8.781 -8.179 1.00 0.00 C ATOM 1727 C THR A 108 -6.647 8.312 -7.966 1.00 0.00 C ATOM 1728 O THR A 108 -7.036 7.244 -8.438 1.00 0.00 O ATOM 1729 CB THR A 108 -4.331 8.270 -7.036 1.00 0.00 C ATOM 1730 OG1 THR A 108 -4.129 9.311 -6.093 1.00 0.00 O ATOM 1731 CG2 THR A 108 -2.982 7.813 -7.592 1.00 0.00 C ATOM 0 H THR A 108 -4.491 10.663 -7.587 1.00 0.00 H new ATOM 0 HA THR A 108 -4.850 8.381 -9.126 1.00 0.00 H new ATOM 0 HB THR A 108 -4.823 7.429 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.364 9.858 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.357 7.450 -6.777 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.139 7.012 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.488 8.652 -8.082 1.00 0.00 H new ATOM 1739 N VAL A 109 -7.428 9.113 -7.250 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.818 8.764 -6.979 1.00 0.00 C ATOM 1741 C VAL A 109 -9.617 8.681 -8.276 1.00 0.00 C ATOM 1742 O VAL A 109 -10.132 7.621 -8.631 1.00 0.00 O ATOM 1743 CB VAL A 109 -9.449 9.805 -6.054 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -10.948 9.533 -5.927 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -8.797 9.719 -4.672 1.00 0.00 C ATOM 0 H VAL A 109 -7.126 10.001 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.837 7.788 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.295 10.801 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.398 10.275 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.413 9.592 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.103 8.537 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.246 10.461 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.952 8.723 -4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.728 9.912 -4.761 1.00 0.00 H new ATOM 1755 N LEU A 110 -9.720 9.803 -8.977 1.00 0.00 N ATOM 1756 CA LEU A 110 -10.464 9.840 -10.231 1.00 0.00 C ATOM 1757 C LEU A 110 -9.775 8.991 -11.294 1.00 0.00 C ATOM 1758 O LEU A 110 -10.394 8.592 -12.280 1.00 0.00 O ATOM 1759 CB LEU A 110 -10.582 11.281 -10.728 1.00 0.00 C ATOM 1760 CG LEU A 110 -11.381 12.107 -9.719 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -11.303 13.588 -10.096 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -12.843 11.654 -9.734 1.00 0.00 C ATOM 0 H LEU A 110 -9.302 10.692 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.459 9.435 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.590 11.713 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -11.073 11.302 -11.701 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.965 11.964 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -11.872 14.177 -9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -10.262 13.911 -10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -11.719 13.732 -11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -13.414 12.242 -9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -13.258 11.798 -10.731 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -12.900 10.599 -9.466 1.00 0.00 H new ATOM 1774 N ASP A 111 -8.492 8.722 -11.089 1.00 0.00 N ATOM 1775 CA ASP A 111 -7.727 7.925 -12.039 1.00 0.00 C ATOM 1776 C ASP A 111 -7.922 6.434 -11.779 1.00 0.00 C ATOM 1777 O ASP A 111 -8.330 5.688 -12.670 1.00 0.00 O ATOM 1778 CB ASP A 111 -6.241 8.270 -11.933 1.00 0.00 C ATOM 1779 CG ASP A 111 -5.529 7.916 -13.233 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -5.654 6.782 -13.665 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -4.868 8.785 -13.778 1.00 0.00 O ATOM 0 H ASP A 111 -7.962 9.042 -10.278 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.086 8.155 -13.042 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -6.120 9.332 -11.720 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.791 7.726 -11.103 1.00 0.00 H new ATOM 1786 N LEU A 112 -7.619 6.004 -10.559 1.00 0.00 N ATOM 1787 CA LEU A 112 -7.757 4.597 -10.201 1.00 0.00 C ATOM 1788 C LEU A 112 -8.971 4.376 -9.305 1.00 0.00 C ATOM 1789 O LEU A 112 -9.544 3.287 -9.279 1.00 0.00 O ATOM 1790 CB LEU A 112 -6.496 4.115 -9.482 1.00 0.00 C ATOM 1791 CG LEU A 112 -5.642 3.290 -10.444 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -5.219 4.164 -11.626 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -4.397 2.782 -9.715 1.00 0.00 C ATOM 0 H LEU A 112 -7.279 6.604 -9.807 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.896 4.026 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.926 4.968 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.767 3.514 -8.614 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.221 2.441 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.610 3.577 -12.313 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.106 4.526 -12.146 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.640 5.013 -11.262 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.788 2.194 -10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.817 3.630 -9.351 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.697 2.160 -8.872 1.00 0.00 H new ATOM 1805 N GLY A 113 -9.358 5.411 -8.566 1.00 0.00 N ATOM 1806 CA GLY A 113 -10.504 5.306 -7.671 1.00 0.00 C ATOM 1807 C GLY A 113 -10.401 4.053 -6.810 1.00 0.00 C ATOM 1808 O GLY A 113 -11.368 3.305 -6.664 1.00 0.00 O ATOM 0 H GLY A 113 -8.900 6.323 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.556 6.188 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.425 5.279 -8.253 1.00 0.00 H new ATOM 1812 N MET A 114 -9.221 3.831 -6.241 1.00 0.00 N ATOM 1813 CA MET A 114 -8.998 2.666 -5.394 1.00 0.00 C ATOM 1814 C MET A 114 -9.183 3.032 -3.925 1.00 0.00 C ATOM 1815 O MET A 114 -9.865 4.003 -3.598 1.00 0.00 O ATOM 1816 CB MET A 114 -7.585 2.124 -5.614 1.00 0.00 C ATOM 1817 CG MET A 114 -7.611 0.595 -5.576 1.00 0.00 C ATOM 1818 SD MET A 114 -8.024 -0.042 -7.219 1.00 0.00 S ATOM 1819 CE MET A 114 -6.362 0.059 -7.926 1.00 0.00 C ATOM 0 H MET A 114 -8.409 4.439 -6.350 1.00 0.00 H new ATOM 0 HA MET A 114 -9.725 1.899 -5.661 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.198 2.468 -6.573 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.914 2.506 -4.844 1.00 0.00 H new ATOM 0 HG2 MET A 114 -6.641 0.212 -5.259 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.344 0.251 -4.846 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.426 0.409 -8.956 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.760 0.756 -7.342 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.898 -0.927 -7.906 1.00 0.00 H new ATOM 1829 N VAL A 115 -8.572 2.248 -3.043 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.677 2.500 -1.611 1.00 0.00 C ATOM 1831 C VAL A 115 -7.353 3.019 -1.060 1.00 0.00 C ATOM 1832 O VAL A 115 -6.392 2.263 -0.912 1.00 0.00 O ATOM 1833 CB VAL A 115 -9.069 1.215 -0.880 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -9.212 1.499 0.616 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -10.403 0.705 -1.430 1.00 0.00 C ATOM 0 H VAL A 115 -8.003 1.439 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.446 3.256 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.297 0.461 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.491 0.582 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -8.263 1.864 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.983 2.253 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.684 -0.211 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -11.173 1.461 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.303 0.501 -2.496 1.00 0.00 H new ATOM 1845 N LEU A 116 -7.312 4.312 -0.754 1.00 0.00 N ATOM 1846 CA LEU A 116 -6.102 4.921 -0.216 1.00 0.00 C ATOM 1847 C LEU A 116 -6.225 5.100 1.292 1.00 0.00 C ATOM 1848 O LEU A 116 -7.175 5.717 1.777 1.00 0.00 O ATOM 1849 CB LEU A 116 -5.860 6.281 -0.876 1.00 0.00 C ATOM 1850 CG LEU A 116 -5.636 6.091 -2.379 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -6.788 6.736 -3.152 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -4.318 6.754 -2.786 1.00 0.00 C ATOM 0 H LEU A 116 -8.097 4.954 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.259 4.263 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.714 6.936 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.993 6.765 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.595 5.026 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.629 6.601 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.728 6.266 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.829 7.801 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.158 6.619 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.360 7.819 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.496 6.297 -2.236 1.00 0.00 H new ATOM 1864 N LEU A 117 -5.263 4.557 2.030 1.00 0.00 N ATOM 1865 CA LEU A 117 -5.282 4.663 3.483 1.00 0.00 C ATOM 1866 C LEU A 117 -3.887 4.965 4.020 1.00 0.00 C ATOM 1867 O LEU A 117 -3.136 4.055 4.372 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.794 3.357 4.094 1.00 0.00 C ATOM 1869 CG LEU A 117 -7.220 3.558 4.609 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -7.901 2.198 4.775 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -7.173 4.272 5.961 1.00 0.00 C ATOM 0 H LEU A 117 -4.468 4.044 1.650 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.948 5.481 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.774 2.562 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.142 3.045 4.910 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.783 4.160 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.917 2.342 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.932 1.687 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -7.340 1.595 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.188 4.417 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -6.610 3.668 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.687 5.241 5.844 1.00 0.00 H new ATOM 1883 N PRO A 118 -3.539 6.220 4.091 1.00 0.00 N ATOM 1884 CA PRO A 118 -2.208 6.657 4.602 1.00 0.00 C ATOM 1885 C PRO A 118 -1.930 6.112 6.000 1.00 0.00 C ATOM 1886 O PRO A 118 -2.838 5.629 6.677 1.00 0.00 O ATOM 1887 CB PRO A 118 -2.298 8.187 4.621 1.00 0.00 C ATOM 1888 CG PRO A 118 -3.412 8.540 3.691 1.00 0.00 C ATOM 1889 CD PRO A 118 -4.377 7.356 3.691 1.00 0.00 C ATOM 0 HA PRO A 118 -1.392 6.288 3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -2.497 8.555 5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.360 8.638 4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.916 9.450 4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.032 8.730 2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -5.200 7.511 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.819 7.200 2.707 1.00 0.00 H new ATOM 1897 N VAL A 119 -0.675 6.190 6.426 1.00 0.00 N ATOM 1898 CA VAL A 119 -0.298 5.698 7.746 1.00 0.00 C ATOM 1899 C VAL A 119 0.569 6.719 8.475 1.00 0.00 C ATOM 1900 O VAL A 119 0.119 7.822 8.785 1.00 0.00 O ATOM 1901 CB VAL A 119 0.466 4.381 7.614 1.00 0.00 C ATOM 1902 CG1 VAL A 119 -0.494 3.275 7.169 1.00 0.00 C ATOM 1903 CG2 VAL A 119 1.576 4.539 6.572 1.00 0.00 C ATOM 0 H VAL A 119 0.093 6.585 5.883 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.208 5.535 8.323 1.00 0.00 H new ATOM 0 HB VAL A 119 0.903 4.117 8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.051 2.336 7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.287 3.162 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.931 3.539 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.122 3.600 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.137 4.803 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.261 5.327 6.886 1.00 0.00 H new ATOM 1913 N ALA A 120 1.813 6.340 8.748 1.00 0.00 N ATOM 1914 CA ALA A 120 2.738 7.226 9.444 1.00 0.00 C ATOM 1915 C ALA A 120 4.026 6.485 9.787 1.00 0.00 C ATOM 1916 O ALA A 120 5.108 7.073 9.805 1.00 0.00 O ATOM 1917 CB ALA A 120 2.093 7.754 10.725 1.00 0.00 C ATOM 0 H ALA A 120 2.202 5.430 8.499 1.00 0.00 H new ATOM 0 HA ALA A 120 2.975 8.064 8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.791 8.415 11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.187 8.307 10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.840 6.918 11.376 1.00 0.00 H new ATOM 1923 N SER A 121 3.902 5.189 10.056 1.00 0.00 N ATOM 1924 CA SER A 121 5.062 4.372 10.396 1.00 0.00 C ATOM 1925 C SER A 121 5.096 3.111 9.537 1.00 0.00 C ATOM 1926 O SER A 121 4.059 2.638 9.072 1.00 0.00 O ATOM 1927 CB SER A 121 5.014 3.984 11.874 1.00 0.00 C ATOM 1928 OG SER A 121 4.469 2.677 12.000 1.00 0.00 O ATOM 0 H SER A 121 3.016 4.684 10.045 1.00 0.00 H new ATOM 0 HA SER A 121 5.963 4.955 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.016 4.015 12.303 1.00 0.00 H new ATOM 0 HB3 SER A 121 4.407 4.699 12.430 1.00 0.00 H new ATOM 0 HG SER A 121 4.439 2.425 12.947 1.00 0.00 H new ATOM 1934 N GLN A 122 6.293 2.573 9.329 1.00 0.00 N ATOM 1935 CA GLN A 122 6.451 1.368 8.522 1.00 0.00 C ATOM 1936 C GLN A 122 5.763 0.179 9.188 1.00 0.00 C ATOM 1937 O GLN A 122 5.419 -0.800 8.526 1.00 0.00 O ATOM 1938 CB GLN A 122 7.936 1.057 8.331 1.00 0.00 C ATOM 1939 CG GLN A 122 8.616 2.222 7.610 1.00 0.00 C ATOM 1940 CD GLN A 122 10.116 1.967 7.509 1.00 0.00 C ATOM 1941 OE1 GLN A 122 10.546 1.074 6.778 1.00 0.00 O ATOM 1942 NE2 GLN A 122 10.941 2.701 8.204 1.00 0.00 N ATOM 0 H GLN A 122 7.163 2.949 9.705 1.00 0.00 H new ATOM 0 HA GLN A 122 5.988 1.543 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.410 0.888 9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.054 0.140 7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.191 2.342 6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.432 3.151 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 122 10.581 3.440 8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 122 11.946 2.536 8.143 1.00 0.00 H new ATOM 1951 N MET A 123 5.570 0.269 10.499 1.00 0.00 N ATOM 1952 CA MET A 123 4.926 -0.809 11.241 1.00 0.00 C ATOM 1953 C MET A 123 3.406 -0.697 11.151 1.00 0.00 C ATOM 1954 O MET A 123 2.708 -1.700 11.008 1.00 0.00 O ATOM 1955 CB MET A 123 5.357 -0.764 12.708 1.00 0.00 C ATOM 1956 CG MET A 123 6.742 -1.397 12.853 1.00 0.00 C ATOM 1957 SD MET A 123 7.873 -0.658 11.648 1.00 0.00 S ATOM 1958 CE MET A 123 9.287 -0.453 12.759 1.00 0.00 C ATOM 0 H MET A 123 5.847 1.070 11.066 1.00 0.00 H new ATOM 0 HA MET A 123 5.233 -1.757 10.800 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.378 0.267 13.060 1.00 0.00 H new ATOM 0 HB3 MET A 123 4.635 -1.297 13.327 1.00 0.00 H new ATOM 0 HG2 MET A 123 7.120 -1.243 13.864 1.00 0.00 H new ATOM 0 HG3 MET A 123 6.680 -2.474 12.696 1.00 0.00 H new ATOM 0 HE1 MET A 123 10.117 -0.004 12.213 1.00 0.00 H new ATOM 0 HE2 MET A 123 9.006 0.195 13.590 1.00 0.00 H new ATOM 0 HE3 MET A 123 9.591 -1.426 13.144 1.00 0.00 H new ATOM 1968 N GLU A 124 2.899 0.529 11.238 1.00 0.00 N ATOM 1969 CA GLU A 124 1.460 0.755 11.167 1.00 0.00 C ATOM 1970 C GLU A 124 0.846 -0.043 10.020 1.00 0.00 C ATOM 1971 O GLU A 124 -0.130 -0.766 10.210 1.00 0.00 O ATOM 1972 CB GLU A 124 1.173 2.244 10.967 1.00 0.00 C ATOM 1973 CG GLU A 124 1.190 2.953 12.323 1.00 0.00 C ATOM 1974 CD GLU A 124 -0.203 2.930 12.942 1.00 0.00 C ATOM 1975 OE1 GLU A 124 -0.768 1.854 13.042 1.00 0.00 O ATOM 1976 OE2 GLU A 124 -0.684 3.991 13.306 1.00 0.00 O ATOM 0 H GLU A 124 3.458 1.374 11.357 1.00 0.00 H new ATOM 0 HA GLU A 124 1.014 0.423 12.104 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.919 2.684 10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.204 2.377 10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.901 2.464 12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.525 3.983 12.200 1.00 0.00 H new ATOM 1983 N ALA A 125 1.432 0.090 8.834 1.00 0.00 N ATOM 1984 CA ALA A 125 0.944 -0.627 7.663 1.00 0.00 C ATOM 1985 C ALA A 125 0.949 -2.123 7.934 1.00 0.00 C ATOM 1986 O ALA A 125 -0.090 -2.780 7.863 1.00 0.00 O ATOM 1987 CB ALA A 125 1.830 -0.319 6.454 1.00 0.00 C ATOM 0 H ALA A 125 2.242 0.685 8.660 1.00 0.00 H new ATOM 0 HA ALA A 125 -0.075 -0.304 7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.458 -0.859 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.811 0.752 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.853 -0.630 6.664 1.00 0.00 H new ATOM 1993 N SER A 126 2.122 -2.655 8.263 1.00 0.00 N ATOM 1994 CA SER A 126 2.236 -4.074 8.564 1.00 0.00 C ATOM 1995 C SER A 126 1.165 -4.459 9.574 1.00 0.00 C ATOM 1996 O SER A 126 0.622 -5.563 9.537 1.00 0.00 O ATOM 1997 CB SER A 126 3.619 -4.381 9.137 1.00 0.00 C ATOM 1998 OG SER A 126 4.610 -3.751 8.337 1.00 0.00 O ATOM 0 H SER A 126 2.995 -2.132 8.327 1.00 0.00 H new ATOM 0 HA SER A 126 2.101 -4.648 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 126 3.686 -4.026 10.165 1.00 0.00 H new ATOM 0 HB3 SER A 126 3.785 -5.458 9.160 1.00 0.00 H new ATOM 0 HG SER A 126 4.784 -2.850 8.681 1.00 0.00 H new ATOM 2004 N CYS A 127 0.859 -3.523 10.466 1.00 0.00 N ATOM 2005 CA CYS A 127 -0.160 -3.747 11.478 1.00 0.00 C ATOM 2006 C CYS A 127 -1.538 -3.472 10.888 1.00 0.00 C ATOM 2007 O CYS A 127 -2.526 -4.098 11.274 1.00 0.00 O ATOM 2008 CB CYS A 127 0.079 -2.828 12.679 1.00 0.00 C ATOM 2009 SG CYS A 127 0.856 -3.772 14.015 1.00 0.00 S ATOM 0 H CYS A 127 1.302 -2.605 10.507 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.108 -4.784 11.810 1.00 0.00 H new ATOM 0 HB2 CYS A 127 0.717 -1.993 12.390 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.866 -2.404 13.020 1.00 0.00 H new ATOM 0 HG CYS A 127 1.062 -2.992 15.035 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.595 -2.533 9.945 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.860 -2.190 9.303 1.00 0.00 C ATOM 2017 C LEU A 128 -3.289 -3.298 8.348 1.00 0.00 C ATOM 2018 O LEU A 128 -4.480 -3.558 8.175 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.719 -0.874 8.535 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.877 0.060 8.891 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -3.555 1.477 8.413 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -5.158 -0.431 8.212 1.00 0.00 C ATOM 0 H LEU A 128 -0.790 -2.002 9.612 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.620 -2.076 10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.769 -0.400 8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -2.712 -1.067 7.462 1.00 0.00 H new ATOM 0 HG LEU A 128 -4.020 0.065 9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.380 2.143 8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.644 1.827 8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.411 1.473 7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -5.983 0.235 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.017 -0.438 7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -5.388 -1.440 8.555 1.00 0.00 H new ATOM 2034 N VAL A 129 -2.309 -3.950 7.733 1.00 0.00 N ATOM 2035 CA VAL A 129 -2.590 -5.034 6.797 1.00 0.00 C ATOM 2036 C VAL A 129 -2.854 -6.337 7.549 1.00 0.00 C ATOM 2037 O VAL A 129 -3.859 -7.008 7.318 1.00 0.00 O ATOM 2038 CB VAL A 129 -1.405 -5.224 5.848 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -1.695 -6.382 4.891 1.00 0.00 C ATOM 2040 CG2 VAL A 129 -1.185 -3.941 5.043 1.00 0.00 C ATOM 0 H VAL A 129 -1.318 -3.749 7.864 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.478 -4.772 6.223 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.510 -5.448 6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.850 -6.516 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.851 -7.297 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.591 -6.159 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.341 -4.076 4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.081 -3.716 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -0.976 -3.116 5.724 1.00 0.00 H new ATOM 2050 N ILE A 130 -1.939 -6.686 8.448 1.00 0.00 N ATOM 2051 CA ILE A 130 -2.072 -7.911 9.230 1.00 0.00 C ATOM 2052 C ILE A 130 -3.410 -7.940 9.964 1.00 0.00 C ATOM 2053 O ILE A 130 -4.095 -8.963 9.986 1.00 0.00 O ATOM 2054 CB ILE A 130 -0.934 -8.007 10.246 1.00 0.00 C ATOM 2055 CG1 ILE A 130 0.363 -8.378 9.525 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -1.263 -9.078 11.286 1.00 0.00 C ATOM 2057 CD1 ILE A 130 1.537 -8.277 10.502 1.00 0.00 C ATOM 0 H ILE A 130 -1.101 -6.141 8.653 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.026 -8.759 8.547 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.812 -7.045 10.744 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.293 -9.390 9.127 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.523 -7.712 8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.450 -9.145 12.009 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -2.186 -8.813 11.801 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.387 -10.041 10.790 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.461 -8.541 9.989 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.610 -7.257 10.879 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.377 -8.961 11.335 1.00 0.00 H new ATOM 2069 N GLN A 131 -3.769 -6.815 10.570 1.00 0.00 N ATOM 2070 CA GLN A 131 -5.022 -6.721 11.312 1.00 0.00 C ATOM 2071 C GLN A 131 -6.199 -7.182 10.456 1.00 0.00 C ATOM 2072 O GLN A 131 -7.083 -7.894 10.932 1.00 0.00 O ATOM 2073 CB GLN A 131 -5.251 -5.279 11.764 1.00 0.00 C ATOM 2074 CG GLN A 131 -6.667 -5.139 12.325 1.00 0.00 C ATOM 2075 CD GLN A 131 -6.861 -3.743 12.908 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -6.206 -3.382 13.886 1.00 0.00 O ATOM 2077 NE2 GLN A 131 -7.725 -2.933 12.362 1.00 0.00 N ATOM 0 H GLN A 131 -3.214 -5.959 10.563 1.00 0.00 H new ATOM 0 HA GLN A 131 -4.952 -7.371 12.184 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -4.519 -5.004 12.523 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -5.112 -4.597 10.925 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.399 -5.318 11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -6.838 -5.891 13.095 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -8.266 -3.235 11.552 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -7.860 -1.997 12.745 1.00 0.00 H new ATOM 2086 N LEU A 132 -6.209 -6.766 9.193 1.00 0.00 N ATOM 2087 CA LEU A 132 -7.288 -7.139 8.283 1.00 0.00 C ATOM 2088 C LEU A 132 -7.496 -8.651 8.279 1.00 0.00 C ATOM 2089 O LEU A 132 -8.595 -9.138 8.542 1.00 0.00 O ATOM 2090 CB LEU A 132 -6.964 -6.663 6.866 1.00 0.00 C ATOM 2091 CG LEU A 132 -8.254 -6.568 6.052 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -8.771 -5.129 6.076 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -7.975 -6.982 4.604 1.00 0.00 C ATOM 0 H LEU A 132 -5.488 -6.175 8.778 1.00 0.00 H new ATOM 0 HA LEU A 132 -8.205 -6.662 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -6.471 -5.691 6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -6.270 -7.355 6.388 1.00 0.00 H new ATOM 0 HG LEU A 132 -9.004 -7.231 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -9.691 -5.063 5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -8.970 -4.831 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -8.021 -4.466 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.895 -6.915 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -7.224 -6.319 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -7.607 -8.008 4.583 1.00 0.00 H new ATOM 2105 N VAL A 133 -6.434 -9.388 7.971 1.00 0.00 N ATOM 2106 CA VAL A 133 -6.512 -10.845 7.926 1.00 0.00 C ATOM 2107 C VAL A 133 -7.033 -11.406 9.246 1.00 0.00 C ATOM 2108 O VAL A 133 -8.019 -12.142 9.272 1.00 0.00 O ATOM 2109 CB VAL A 133 -5.131 -11.432 7.632 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -5.211 -12.959 7.644 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -4.658 -10.957 6.256 1.00 0.00 C ATOM 0 H VAL A 133 -5.515 -9.005 7.750 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.206 -11.123 7.133 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.426 -11.100 8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.226 -13.377 7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.548 -13.298 8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.916 -13.292 6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.674 -11.375 6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -5.364 -11.289 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.600 -9.869 6.247 1.00 0.00 H new ATOM 2121 N GLN A 134 -6.360 -11.062 10.338 1.00 0.00 N ATOM 2122 CA GLN A 134 -6.759 -11.545 11.656 1.00 0.00 C ATOM 2123 C GLN A 134 -8.261 -11.382 11.866 1.00 0.00 C ATOM 2124 O GLN A 134 -8.940 -12.311 12.307 1.00 0.00 O ATOM 2125 CB GLN A 134 -6.007 -10.777 12.744 1.00 0.00 C ATOM 2126 CG GLN A 134 -6.244 -11.445 14.100 1.00 0.00 C ATOM 2127 CD GLN A 134 -6.693 -10.406 15.122 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -7.389 -9.453 14.775 1.00 0.00 O ATOM 2129 NE2 GLN A 134 -6.334 -10.535 16.371 1.00 0.00 N ATOM 0 H GLN A 134 -5.541 -10.454 10.338 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.511 -12.605 11.717 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.941 -10.757 12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -6.346 -9.742 12.773 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -7.001 -12.223 14.004 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.329 -11.930 14.440 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -5.757 -11.326 16.657 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.631 -9.845 17.061 1.00 0.00 H new ATOM 2138 N GLU A 135 -8.774 -10.196 11.558 1.00 0.00 N ATOM 2139 CA GLU A 135 -10.197 -9.922 11.727 1.00 0.00 C ATOM 2140 C GLU A 135 -11.019 -10.602 10.635 1.00 0.00 C ATOM 2141 O GLU A 135 -12.217 -10.833 10.805 1.00 0.00 O ATOM 2142 CB GLU A 135 -10.443 -8.414 11.688 1.00 0.00 C ATOM 2143 CG GLU A 135 -11.945 -8.141 11.777 1.00 0.00 C ATOM 2144 CD GLU A 135 -12.191 -6.767 12.393 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -11.975 -5.784 11.704 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -12.592 -6.720 13.544 1.00 0.00 O ATOM 0 H GLU A 135 -8.231 -9.414 11.193 1.00 0.00 H new ATOM 0 HA GLU A 135 -10.508 -10.320 12.693 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -9.925 -7.929 12.515 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -10.040 -7.992 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -12.391 -8.188 10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -12.428 -8.910 12.380 1.00 0.00 H new