USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 839 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 119 CYS SG : rot -87:sc= 0.775 USER MOD Set 1.2: A 122 CYS SG : rot 1:sc= 1.02 USER MOD Set 2.1: A 87 CYS SG : rot -129:sc= 0.517 USER MOD Set 2.2: A 90 CYS SG : rot -41:sc= -1.42! USER MOD Set 2.3: A 101 HIS : no HD1:sc=-0.00726 X(o=-4.2,f=-4.2) USER MOD Set 2.4: A 108 CYS SG : rot -26:sc= -3.25! USER MOD Set 3.1: A 102 CYS SG : rot -69:sc= 0.0141 USER MOD Set 3.2: A 104 ASN : amide:sc= 1.37 K(o=2.5,f=-2.4) USER MOD Set 3.3: A 105 CYS SG : rot 53:sc= 0.26 USER MOD Set 3.4: A 118 HIS : no HE2:sc= 0.482 K(o=2.5,f=-3.9) USER MOD Set 3.5: A 125 CYS SG : rot -116:sc= 0.381 USER MOD Set 4.1: A 70 HIS : no HD1:sc= -0.139 K(o=0.67,f=-0.093) USER MOD Set 4.2: A 72 GLN : amide:sc= 0.808 K(o=0.67,f=-1.6) USER MOD Set 5.1: A 62 CYS SG : rot -108:sc= -0.608 USER MOD Set 5.2: A 64 ASN : amide:sc= 0.894 K(o=-0.35,f=-2.3) USER MOD Set 5.3: A 65 CYS SG : rot -119:sc= -0.892 USER MOD Set 5.4: A 75 CYS SG : rot -135:sc= -2.36! USER MOD Set 5.5: A 78 CYS SG : rot -160:sc= 2! USER MOD Set 5.6: A 80 THR OG1 : rot 92:sc= 0.619 USER MOD Set 6.1: A 36 LYS NZ :NH3+ -167:sc= 0.865 (180deg=0.747) USER MOD Set 6.2: A 38 TYR OH : rot 30:sc=-0.00335 USER MOD Set 7.1: A 33 CYS SG : rot 124:sc= -2.16! USER MOD Set 7.2: A 34 CYS SG : rot -53:sc= -0.969 USER MOD Set 7.3: A 44 HIS : no HE2:sc= -2.07! C(o=-5.1!,f=-7.5!) USER MOD Set 7.4: A 50 HIS : no HE2:sc= 0.0978 K(o=-5.1,f=-5.9) USER MOD Set 8.1: A 20 CYS SG : rot -28:sc= 1.29 USER MOD Set 8.2: A 22 HIS : no HD1:sc= -0.345 K(o=-3.4,f=-4.5) USER MOD Set 8.3: A 40 CYS SG : rot 165:sc= -4.39! USER MOD Set 8.4: A 43 CYS SG : rot 164:sc= 0.0257 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot -172:sc= 0.846 USER MOD Single : A 30 LYS NZ :NH3+ 136:sc=-0.00123 (180deg=-0.981) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.813 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.02! C(o=-2!,f=-4.4!) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.19) USER MOD Single : A 69 GLN : amide:sc= -0.0508 K(o=-0.051,f=-1.2) USER MOD Single : A 73 GLN : amide:sc= 0.117 X(o=0.12,f=-0.34) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -7:sc= 0.663 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.435 X(o=-0.44,f=-0.7) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0.447 (180deg=0.446) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 0.45 (180deg=0.285) USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0327) USER MOD Single : A 99 GLN : amide:sc= -0.849 K(o=-0.85,f=-6.8!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -159:sc= 0.0922 (180deg=0.015) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.5!) USER MOD Single : A 128 MET CE :methyl -151:sc= -0.275 (180deg=-0.803) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -9.205 8.927 -9.919 1.00 0.00 N ATOM 232 CA ARG A 18 -8.136 8.611 -8.963 1.00 0.00 C ATOM 233 C ARG A 18 -8.728 7.746 -7.826 1.00 0.00 C ATOM 234 O ARG A 18 -9.806 8.047 -7.295 1.00 0.00 O ATOM 235 CB ARG A 18 -7.403 9.892 -8.441 1.00 0.00 C ATOM 236 CG ARG A 18 -8.104 10.733 -7.343 1.00 0.00 C ATOM 237 CD ARG A 18 -9.358 11.489 -7.809 1.00 0.00 C ATOM 238 NE ARG A 18 -9.896 12.355 -6.735 1.00 0.00 N ATOM 239 CZ ARG A 18 -11.048 13.055 -6.797 1.00 0.00 C ATOM 240 NH1 ARG A 18 -11.842 12.976 -7.856 1.00 0.00 N ATOM 241 NH2 ARG A 18 -11.411 13.828 -5.781 1.00 0.00 N ATOM 0 HA ARG A 18 -7.359 8.038 -9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.429 9.587 -8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.220 10.544 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.380 10.073 -6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.389 11.454 -6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.116 12.096 -8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.121 10.775 -8.120 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.350 12.429 -5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.586 12.378 -8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.709 13.513 -7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.819 13.893 -4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.282 14.357 -5.828 1.00 0.00 H new ATOM 255 N GLY A 19 -8.030 6.648 -7.484 1.00 0.00 N ATOM 256 CA GLY A 19 -8.556 5.635 -6.568 1.00 0.00 C ATOM 257 C GLY A 19 -9.023 4.380 -7.297 1.00 0.00 C ATOM 258 O GLY A 19 -9.043 4.330 -8.535 1.00 0.00 O ATOM 0 H GLY A 19 -7.094 6.444 -7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.785 5.367 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.389 6.056 -6.004 1.00 0.00 H new ATOM 262 N CYS A 20 -9.380 3.362 -6.509 1.00 0.00 N ATOM 263 CA CYS A 20 -9.928 2.082 -6.994 1.00 0.00 C ATOM 264 C CYS A 20 -10.688 1.446 -5.819 1.00 0.00 C ATOM 265 O CYS A 20 -10.242 1.583 -4.679 1.00 0.00 O ATOM 266 CB CYS A 20 -8.778 1.160 -7.496 1.00 0.00 C ATOM 267 SG CYS A 20 -9.303 -0.329 -8.418 1.00 0.00 S ATOM 0 H CYS A 20 -9.296 3.401 -5.493 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.602 2.233 -7.837 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.119 1.747 -8.135 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.189 0.843 -6.635 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.482 -0.697 -8.012 1.00 0.00 H new ATOM 272 N GLU A 21 -11.813 0.746 -6.082 1.00 0.00 N ATOM 273 CA GLU A 21 -12.703 0.207 -5.006 1.00 0.00 C ATOM 274 C GLU A 21 -11.961 -0.759 -4.041 1.00 0.00 C ATOM 275 O GLU A 21 -12.410 -0.994 -2.916 1.00 0.00 O ATOM 276 CB GLU A 21 -13.962 -0.498 -5.606 1.00 0.00 C ATOM 277 CG GLU A 21 -13.729 -1.894 -6.244 1.00 0.00 C ATOM 278 CD GLU A 21 -12.930 -1.875 -7.562 1.00 0.00 C ATOM 279 OE1 GLU A 21 -11.691 -1.740 -7.512 1.00 0.00 O ATOM 280 OE2 GLU A 21 -13.538 -1.991 -8.649 1.00 0.00 O ATOM 0 H GLU A 21 -12.135 0.536 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.025 1.070 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.705 -0.603 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.393 0.157 -6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.204 -2.523 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.697 -2.360 -6.428 1.00 0.00 H new ATOM 287 N HIS A 22 -10.824 -1.310 -4.511 1.00 0.00 N ATOM 288 CA HIS A 22 -9.962 -2.206 -3.723 1.00 0.00 C ATOM 289 C HIS A 22 -9.136 -1.429 -2.678 1.00 0.00 C ATOM 290 O HIS A 22 -9.013 -1.865 -1.529 1.00 0.00 O ATOM 291 CB HIS A 22 -9.016 -2.992 -4.660 1.00 0.00 C ATOM 292 CG HIS A 22 -9.721 -3.840 -5.677 1.00 0.00 C ATOM 293 ND1 HIS A 22 -9.511 -3.676 -7.028 1.00 0.00 N ATOM 294 CD2 HIS A 22 -10.601 -4.852 -5.490 1.00 0.00 C ATOM 295 CE1 HIS A 22 -10.264 -4.584 -7.622 1.00 0.00 C ATOM 296 NE2 HIS A 22 -10.937 -5.321 -6.729 1.00 0.00 N ATOM 0 H HIS A 22 -10.478 -1.143 -5.456 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.609 -2.902 -3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.368 -2.286 -5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.372 -3.630 -4.055 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.967 -5.219 -4.543 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.329 -4.715 -8.692 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.579 -6.087 -6.935 1.00 0.00 H new ATOM 304 N TYR A 23 -8.539 -0.292 -3.100 1.00 0.00 N ATOM 305 CA TYR A 23 -7.650 0.540 -2.243 1.00 0.00 C ATOM 306 C TYR A 23 -7.973 2.031 -2.404 1.00 0.00 C ATOM 307 O TYR A 23 -7.970 2.553 -3.529 1.00 0.00 O ATOM 308 CB TYR A 23 -6.155 0.282 -2.590 1.00 0.00 C ATOM 309 CG TYR A 23 -5.703 -1.144 -2.259 1.00 0.00 C ATOM 310 CD1 TYR A 23 -5.287 -1.496 -0.972 1.00 0.00 C ATOM 311 CD2 TYR A 23 -5.740 -2.143 -3.222 1.00 0.00 C ATOM 312 CE1 TYR A 23 -4.922 -2.794 -0.675 1.00 0.00 C ATOM 313 CE2 TYR A 23 -5.378 -3.432 -2.934 1.00 0.00 C ATOM 314 CZ TYR A 23 -4.970 -3.760 -1.662 1.00 0.00 C ATOM 315 OH TYR A 23 -4.605 -5.057 -1.372 1.00 0.00 O ATOM 0 H TYR A 23 -8.657 0.079 -4.043 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.826 0.256 -1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.996 0.471 -3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.533 0.991 -2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.251 -0.742 -0.199 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.062 -1.898 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.601 -3.053 0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.413 -4.189 -3.704 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.697 -5.610 -2.176 1.00 0.00 H new ATOM 325 N ASP A 24 -8.218 2.714 -1.267 1.00 0.00 N ATOM 326 CA ASP A 24 -8.509 4.156 -1.242 1.00 0.00 C ATOM 327 C ASP A 24 -7.190 4.950 -1.246 1.00 0.00 C ATOM 328 O ASP A 24 -6.718 5.429 -0.204 1.00 0.00 O ATOM 329 CB ASP A 24 -9.376 4.535 -0.006 1.00 0.00 C ATOM 330 CG ASP A 24 -10.841 4.080 -0.103 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.154 2.946 0.291 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.695 4.870 -0.554 1.00 0.00 O ATOM 0 H ASP A 24 -8.219 2.280 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.082 4.410 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.929 4.096 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.351 5.617 0.124 1.00 0.00 H new ATOM 337 N ARG A 25 -6.588 5.044 -2.436 1.00 0.00 N ATOM 338 CA ARG A 25 -5.407 5.867 -2.687 1.00 0.00 C ATOM 339 C ARG A 25 -5.517 6.409 -4.117 1.00 0.00 C ATOM 340 O ARG A 25 -5.771 5.641 -5.057 1.00 0.00 O ATOM 341 CB ARG A 25 -4.094 5.043 -2.454 1.00 0.00 C ATOM 342 CG ARG A 25 -3.851 3.877 -3.437 1.00 0.00 C ATOM 343 CD ARG A 25 -2.720 2.923 -3.014 1.00 0.00 C ATOM 344 NE ARG A 25 -3.067 2.177 -1.791 1.00 0.00 N ATOM 345 CZ ARG A 25 -2.338 1.195 -1.238 1.00 0.00 C ATOM 346 NH1 ARG A 25 -1.186 0.803 -1.779 1.00 0.00 N ATOM 347 NH2 ARG A 25 -2.777 0.608 -0.136 1.00 0.00 N ATOM 0 H ARG A 25 -6.914 4.542 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.359 6.704 -1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.245 5.724 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.114 4.641 -1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.773 3.306 -3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.617 4.287 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.514 2.221 -3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.806 3.493 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.938 2.429 -1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.843 1.251 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.647 0.055 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.659 0.903 0.282 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.233 -0.140 0.295 1.00 0.00 H new ATOM 361 N GLY A 26 -5.362 7.731 -4.282 1.00 0.00 N ATOM 362 CA GLY A 26 -5.445 8.379 -5.601 1.00 0.00 C ATOM 363 C GLY A 26 -4.141 8.282 -6.384 1.00 0.00 C ATOM 364 O GLY A 26 -3.711 9.255 -7.030 1.00 0.00 O ATOM 0 H GLY A 26 -5.177 8.376 -3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.246 7.918 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.709 9.428 -5.470 1.00 0.00 H new ATOM 368 N CYS A 27 -3.528 7.082 -6.348 1.00 0.00 N ATOM 369 CA CYS A 27 -2.188 6.827 -6.872 1.00 0.00 C ATOM 370 C CYS A 27 -2.037 5.363 -7.322 1.00 0.00 C ATOM 371 O CYS A 27 -2.851 4.500 -6.964 1.00 0.00 O ATOM 372 CB CYS A 27 -1.149 7.219 -5.809 1.00 0.00 C ATOM 373 SG CYS A 27 -1.183 8.989 -5.446 1.00 0.00 S ATOM 0 H CYS A 27 -3.965 6.253 -5.945 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.021 7.438 -7.759 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.338 6.658 -4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.154 6.939 -6.155 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.180 9.294 -4.677 1.00 0.00 H new ATOM 379 N LEU A 28 -0.989 5.111 -8.117 1.00 0.00 N ATOM 380 CA LEU A 28 -0.745 3.823 -8.784 1.00 0.00 C ATOM 381 C LEU A 28 0.637 3.269 -8.383 1.00 0.00 C ATOM 382 O LEU A 28 1.614 4.009 -8.388 1.00 0.00 O ATOM 383 CB LEU A 28 -0.795 4.028 -10.324 1.00 0.00 C ATOM 384 CG LEU A 28 -2.123 4.621 -10.917 1.00 0.00 C ATOM 385 CD1 LEU A 28 -1.943 5.083 -12.367 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.294 3.631 -10.820 1.00 0.00 C ATOM 0 H LEU A 28 -0.273 5.809 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.512 3.111 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.027 4.687 -10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.610 3.066 -10.801 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.366 5.491 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.884 5.486 -12.740 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.175 5.855 -12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.642 4.236 -12.984 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.190 4.085 -11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.051 2.724 -11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.473 3.380 -9.774 1.00 0.00 H new ATOM 398 N LEU A 29 0.695 1.972 -8.043 1.00 0.00 N ATOM 399 CA LEU A 29 1.962 1.230 -7.824 1.00 0.00 C ATOM 400 C LEU A 29 2.688 1.063 -9.176 1.00 0.00 C ATOM 401 O LEU A 29 2.161 0.387 -10.074 1.00 0.00 O ATOM 402 CB LEU A 29 1.667 -0.180 -7.213 1.00 0.00 C ATOM 403 CG LEU A 29 1.117 -0.224 -5.745 1.00 0.00 C ATOM 404 CD1 LEU A 29 0.885 -1.683 -5.273 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.044 0.526 -4.755 1.00 0.00 C ATOM 0 H LEU A 29 -0.138 1.398 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 29 2.589 1.789 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.948 -0.684 -7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.588 -0.762 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 29 0.157 0.291 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.504 -1.679 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.161 -2.167 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.827 -2.230 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.625 0.470 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.032 0.066 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.128 1.570 -5.055 1.00 0.00 H new ATOM 417 N LYS A 30 3.860 1.710 -9.334 1.00 0.00 N ATOM 418 CA LYS A 30 4.682 1.560 -10.548 1.00 0.00 C ATOM 419 C LYS A 30 5.603 0.347 -10.376 1.00 0.00 C ATOM 420 O LYS A 30 6.593 0.410 -9.639 1.00 0.00 O ATOM 421 CB LYS A 30 5.507 2.827 -10.846 1.00 0.00 C ATOM 422 CG LYS A 30 6.144 2.809 -12.246 1.00 0.00 C ATOM 423 CD LYS A 30 6.911 4.100 -12.567 1.00 0.00 C ATOM 424 CE LYS A 30 7.581 4.027 -13.933 1.00 0.00 C ATOM 425 NZ LYS A 30 8.498 5.179 -14.171 1.00 0.00 N ATOM 0 H LYS A 30 4.257 2.340 -8.637 1.00 0.00 H new ATOM 0 HA LYS A 30 4.019 1.408 -11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.864 3.703 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.292 2.929 -10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.824 1.960 -12.320 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.364 2.660 -12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.226 4.947 -12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.665 4.277 -11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.142 3.096 -14.012 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.817 4.006 -14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.385 4.836 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.046 5.855 -14.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.704 5.651 -13.268 1.00 0.00 H new ATOM 439 N ALA A 31 5.253 -0.743 -11.066 1.00 0.00 N ATOM 440 CA ALA A 31 5.896 -2.053 -10.910 1.00 0.00 C ATOM 441 C ALA A 31 7.082 -2.177 -11.872 1.00 0.00 C ATOM 442 O ALA A 31 6.854 -2.421 -13.050 1.00 0.00 O ATOM 443 CB ALA A 31 4.869 -3.172 -11.168 1.00 0.00 C ATOM 0 H ALA A 31 4.504 -0.741 -11.759 1.00 0.00 H new ATOM 0 HA ALA A 31 6.270 -2.149 -9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.351 -4.142 -11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.050 -3.086 -10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.478 -3.081 -12.182 1.00 0.00 H new ATOM 449 N PRO A 32 8.369 -2.051 -11.385 1.00 0.00 N ATOM 450 CA PRO A 32 9.590 -2.003 -12.256 1.00 0.00 C ATOM 451 C PRO A 32 9.820 -3.291 -13.085 1.00 0.00 C ATOM 452 O PRO A 32 10.701 -3.320 -13.951 1.00 0.00 O ATOM 453 CB PRO A 32 10.743 -1.779 -11.235 1.00 0.00 C ATOM 454 CG PRO A 32 10.210 -2.328 -9.947 1.00 0.00 C ATOM 455 CD PRO A 32 8.742 -1.974 -9.947 1.00 0.00 C ATOM 0 HA PRO A 32 9.508 -1.225 -13.015 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.652 -2.296 -11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.993 -0.722 -11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.356 -3.407 -9.888 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.721 -1.890 -9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.161 -2.671 -9.343 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.569 -0.978 -9.540 1.00 0.00 H new ATOM 463 N CYS A 33 9.032 -4.343 -12.790 1.00 0.00 N ATOM 464 CA CYS A 33 9.007 -5.594 -13.569 1.00 0.00 C ATOM 465 C CYS A 33 8.560 -5.338 -15.023 1.00 0.00 C ATOM 466 O CYS A 33 9.111 -5.918 -15.963 1.00 0.00 O ATOM 467 CB CYS A 33 8.053 -6.578 -12.874 1.00 0.00 C ATOM 468 SG CYS A 33 6.454 -5.821 -12.439 1.00 0.00 S ATOM 0 H CYS A 33 8.390 -4.347 -11.997 1.00 0.00 H new ATOM 0 HA CYS A 33 10.012 -6.015 -13.612 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.880 -7.432 -13.528 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.527 -6.960 -11.970 1.00 0.00 H new ATOM 0 HG CYS A 33 5.489 -6.505 -12.979 1.00 0.00 H new ATOM 473 N CYS A 34 7.566 -4.443 -15.196 1.00 0.00 N ATOM 474 CA CYS A 34 7.025 -4.082 -16.524 1.00 0.00 C ATOM 475 C CYS A 34 6.686 -2.574 -16.597 1.00 0.00 C ATOM 476 O CYS A 34 6.035 -2.128 -17.548 1.00 0.00 O ATOM 477 CB CYS A 34 5.788 -4.976 -16.849 1.00 0.00 C ATOM 478 SG CYS A 34 4.443 -4.958 -15.605 1.00 0.00 S ATOM 0 H CYS A 34 7.117 -3.952 -14.423 1.00 0.00 H new ATOM 0 HA CYS A 34 7.786 -4.268 -17.282 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.376 -4.659 -17.807 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.129 -6.004 -16.973 1.00 0.00 H new ATOM 0 HG CYS A 34 4.932 -5.236 -14.433 1.00 0.00 H new ATOM 483 N ASP A 35 7.189 -1.802 -15.594 1.00 0.00 N ATOM 484 CA ASP A 35 6.921 -0.346 -15.392 1.00 0.00 C ATOM 485 C ASP A 35 5.437 0.025 -15.563 1.00 0.00 C ATOM 486 O ASP A 35 5.107 1.097 -16.081 1.00 0.00 O ATOM 487 CB ASP A 35 7.854 0.522 -16.288 1.00 0.00 C ATOM 488 CG ASP A 35 9.306 0.529 -15.780 1.00 0.00 C ATOM 489 OD1 ASP A 35 10.057 -0.430 -16.067 1.00 0.00 O ATOM 490 OD2 ASP A 35 9.691 1.472 -15.056 1.00 0.00 O ATOM 0 H ASP A 35 7.811 -2.185 -14.882 1.00 0.00 H new ATOM 0 HA ASP A 35 7.156 -0.123 -14.351 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.830 0.142 -17.309 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.477 1.544 -16.319 1.00 0.00 H new ATOM 495 N LYS A 36 4.547 -0.861 -15.082 1.00 0.00 N ATOM 496 CA LYS A 36 3.089 -0.683 -15.211 1.00 0.00 C ATOM 497 C LYS A 36 2.479 -0.061 -13.948 1.00 0.00 C ATOM 498 O LYS A 36 2.911 -0.333 -12.828 1.00 0.00 O ATOM 499 CB LYS A 36 2.388 -2.017 -15.579 1.00 0.00 C ATOM 500 CG LYS A 36 2.360 -2.315 -17.100 1.00 0.00 C ATOM 501 CD LYS A 36 1.325 -3.397 -17.475 1.00 0.00 C ATOM 502 CE LYS A 36 1.044 -3.455 -18.984 1.00 0.00 C ATOM 503 NZ LYS A 36 -0.071 -4.388 -19.300 1.00 0.00 N ATOM 0 H LYS A 36 4.816 -1.716 -14.595 1.00 0.00 H new ATOM 0 HA LYS A 36 2.920 0.016 -16.030 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.895 -2.835 -15.068 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.365 -1.993 -15.205 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.133 -1.397 -17.642 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.350 -2.638 -17.421 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.685 -4.370 -17.140 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.393 -3.202 -16.944 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.798 -2.457 -19.347 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.944 -3.772 -19.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.090 -4.572 -20.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.070 -5.283 -18.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.974 -3.962 -19.008 1.00 0.00 H new ATOM 517 N LEU A 37 1.442 0.751 -14.182 1.00 0.00 N ATOM 518 CA LEU A 37 0.818 1.622 -13.181 1.00 0.00 C ATOM 519 C LEU A 37 -0.580 1.083 -12.800 1.00 0.00 C ATOM 520 O LEU A 37 -1.513 1.170 -13.607 1.00 0.00 O ATOM 521 CB LEU A 37 0.692 3.067 -13.759 1.00 0.00 C ATOM 522 CG LEU A 37 1.992 3.937 -13.866 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.651 4.113 -12.489 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.991 3.400 -14.918 1.00 0.00 C ATOM 0 H LEU A 37 1.002 0.822 -15.099 1.00 0.00 H new ATOM 0 HA LEU A 37 1.439 1.641 -12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.259 2.990 -14.757 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.023 3.611 -13.142 1.00 0.00 H new ATOM 0 HG LEU A 37 1.685 4.921 -14.221 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.550 4.720 -12.591 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.954 4.608 -11.813 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.917 3.136 -12.085 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.870 4.043 -14.946 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.291 2.387 -14.651 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.516 3.391 -15.899 1.00 0.00 H new ATOM 536 N TYR A 38 -0.713 0.516 -11.577 1.00 0.00 N ATOM 537 CA TYR A 38 -2.009 0.014 -11.042 1.00 0.00 C ATOM 538 C TYR A 38 -2.104 0.301 -9.533 1.00 0.00 C ATOM 539 O TYR A 38 -1.174 -0.014 -8.800 1.00 0.00 O ATOM 540 CB TYR A 38 -2.176 -1.515 -11.271 1.00 0.00 C ATOM 541 CG TYR A 38 -2.179 -1.969 -12.742 1.00 0.00 C ATOM 542 CD1 TYR A 38 -3.361 -2.037 -13.487 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.993 -2.354 -13.374 1.00 0.00 C ATOM 544 CE1 TYR A 38 -3.355 -2.473 -14.800 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.991 -2.784 -14.683 1.00 0.00 C ATOM 546 CZ TYR A 38 -2.168 -2.846 -15.392 1.00 0.00 C ATOM 547 OH TYR A 38 -2.151 -3.292 -16.699 1.00 0.00 O ATOM 0 H TYR A 38 0.069 0.392 -10.934 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.803 0.534 -11.578 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.370 -2.033 -10.751 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.110 -1.834 -10.809 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.294 -1.744 -13.029 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.063 -2.314 -12.827 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.278 -2.521 -15.359 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.063 -3.073 -15.154 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.877 -2.865 -17.200 1.00 0.00 H new ATOM 557 N THR A 39 -3.256 0.856 -9.089 1.00 0.00 N ATOM 558 CA THR A 39 -3.546 1.181 -7.666 1.00 0.00 C ATOM 559 C THR A 39 -3.368 -0.053 -6.744 1.00 0.00 C ATOM 560 O THR A 39 -3.001 0.067 -5.566 1.00 0.00 O ATOM 561 CB THR A 39 -5.018 1.723 -7.540 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.219 2.807 -8.452 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.382 2.200 -6.127 1.00 0.00 C ATOM 0 H THR A 39 -4.024 1.096 -9.716 1.00 0.00 H new ATOM 0 HA THR A 39 -2.835 1.942 -7.346 1.00 0.00 H new ATOM 0 HB THR A 39 -5.667 0.880 -7.776 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.138 3.138 -8.369 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.411 2.559 -6.118 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.281 1.372 -5.426 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.713 3.008 -5.832 1.00 0.00 H new ATOM 571 N CYS A 40 -3.622 -1.240 -7.315 1.00 0.00 N ATOM 572 CA CYS A 40 -3.595 -2.509 -6.585 1.00 0.00 C ATOM 573 C CYS A 40 -2.562 -3.462 -7.207 1.00 0.00 C ATOM 574 O CYS A 40 -2.379 -3.466 -8.434 1.00 0.00 O ATOM 575 CB CYS A 40 -4.995 -3.155 -6.650 1.00 0.00 C ATOM 576 SG CYS A 40 -6.371 -1.983 -6.510 1.00 0.00 S ATOM 0 H CYS A 40 -3.853 -1.343 -8.303 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.317 -2.320 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.089 -3.695 -7.592 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.079 -3.891 -5.851 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.473 -2.561 -6.886 1.00 0.00 H new ATOM 581 N ARG A 41 -1.922 -4.281 -6.349 1.00 0.00 N ATOM 582 CA ARG A 41 -1.098 -5.435 -6.778 1.00 0.00 C ATOM 583 C ARG A 41 -1.957 -6.416 -7.615 1.00 0.00 C ATOM 584 O ARG A 41 -1.518 -6.913 -8.655 1.00 0.00 O ATOM 585 CB ARG A 41 -0.471 -6.150 -5.518 1.00 0.00 C ATOM 586 CG ARG A 41 -0.399 -7.705 -5.594 1.00 0.00 C ATOM 587 CD ARG A 41 0.135 -8.356 -4.311 1.00 0.00 C ATOM 588 NE ARG A 41 0.129 -9.831 -4.402 1.00 0.00 N ATOM 589 CZ ARG A 41 1.214 -10.627 -4.413 1.00 0.00 C ATOM 590 NH1 ARG A 41 2.438 -10.122 -4.427 1.00 0.00 N ATOM 591 NH2 ARG A 41 1.058 -11.942 -4.432 1.00 0.00 N ATOM 0 H ARG A 41 -1.960 -4.163 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.280 -5.083 -7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.537 -5.764 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.053 -5.873 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.394 -8.097 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.239 -7.991 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.150 -8.007 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.473 -8.041 -3.463 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.781 -10.288 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.573 -9.111 -4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.246 -10.744 -4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.121 -12.344 -4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.875 -12.552 -4.440 1.00 0.00 H new ATOM 605 N LEU A 42 -3.186 -6.665 -7.131 1.00 0.00 N ATOM 606 CA LEU A 42 -4.135 -7.606 -7.757 1.00 0.00 C ATOM 607 C LEU A 42 -4.672 -7.089 -9.114 1.00 0.00 C ATOM 608 O LEU A 42 -4.942 -7.886 -10.007 1.00 0.00 O ATOM 609 CB LEU A 42 -5.273 -7.951 -6.738 1.00 0.00 C ATOM 610 CG LEU A 42 -6.047 -6.751 -6.070 1.00 0.00 C ATOM 611 CD1 LEU A 42 -7.172 -6.207 -6.972 1.00 0.00 C ATOM 612 CD2 LEU A 42 -6.597 -7.131 -4.675 1.00 0.00 C ATOM 0 H LEU A 42 -3.552 -6.218 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.607 -8.528 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.003 -8.577 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.838 -8.555 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.319 -5.950 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.676 -5.382 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.746 -5.853 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.891 -7.001 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.124 -6.278 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.285 -7.971 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.771 -7.412 -4.022 1.00 0.00 H new ATOM 624 N CYS A 43 -4.801 -5.743 -9.257 1.00 0.00 N ATOM 625 CA CYS A 43 -5.223 -5.099 -10.534 1.00 0.00 C ATOM 626 C CYS A 43 -4.101 -5.191 -11.586 1.00 0.00 C ATOM 627 O CYS A 43 -4.371 -5.230 -12.786 1.00 0.00 O ATOM 628 CB CYS A 43 -5.689 -3.624 -10.314 1.00 0.00 C ATOM 629 SG CYS A 43 -7.473 -3.452 -9.944 1.00 0.00 S ATOM 0 H CYS A 43 -4.619 -5.081 -8.503 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.085 -5.646 -10.914 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.115 -3.191 -9.494 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.456 -3.044 -11.207 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.701 -2.274 -9.444 1.00 0.00 H new ATOM 634 N HIS A 44 -2.844 -5.233 -11.109 1.00 0.00 N ATOM 635 CA HIS A 44 -1.669 -5.497 -11.960 1.00 0.00 C ATOM 636 C HIS A 44 -1.710 -6.946 -12.456 1.00 0.00 C ATOM 637 O HIS A 44 -1.769 -7.184 -13.658 1.00 0.00 O ATOM 638 CB HIS A 44 -0.361 -5.182 -11.172 1.00 0.00 C ATOM 639 CG HIS A 44 0.906 -5.831 -11.696 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.274 -7.107 -11.336 1.00 0.00 N ATOM 641 CD2 HIS A 44 1.932 -5.354 -12.477 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.457 -7.367 -11.878 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.914 -6.350 -12.570 1.00 0.00 N ATOM 0 H HIS A 44 -2.614 -5.085 -10.126 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.687 -4.846 -12.834 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.216 -4.102 -11.166 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.502 -5.491 -10.136 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.731 -7.744 -10.753 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.974 -4.379 -12.940 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.981 -8.304 -11.763 1.00 0.00 H new ATOM 651 N ASP A 45 -1.755 -7.887 -11.496 1.00 0.00 N ATOM 652 CA ASP A 45 -1.714 -9.341 -11.760 1.00 0.00 C ATOM 653 C ASP A 45 -2.876 -9.792 -12.671 1.00 0.00 C ATOM 654 O ASP A 45 -2.716 -10.719 -13.469 1.00 0.00 O ATOM 655 CB ASP A 45 -1.748 -10.108 -10.411 1.00 0.00 C ATOM 656 CG ASP A 45 -1.718 -11.643 -10.574 1.00 0.00 C ATOM 657 OD1 ASP A 45 -0.641 -12.187 -10.872 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.774 -12.301 -10.424 1.00 0.00 O ATOM 0 H ASP A 45 -1.822 -7.659 -10.504 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.788 -9.569 -12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.897 -9.798 -9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.648 -9.826 -9.865 1.00 0.00 H new ATOM 663 N ASN A 46 -4.026 -9.100 -12.544 1.00 0.00 N ATOM 664 CA ASN A 46 -5.251 -9.371 -13.329 1.00 0.00 C ATOM 665 C ASN A 46 -4.989 -9.284 -14.851 1.00 0.00 C ATOM 666 O ASN A 46 -5.487 -10.109 -15.621 1.00 0.00 O ATOM 667 CB ASN A 46 -6.358 -8.364 -12.915 1.00 0.00 C ATOM 668 CG ASN A 46 -7.702 -8.575 -13.631 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.547 -9.349 -13.178 1.00 0.00 O ATOM 670 ND2 ASN A 46 -7.915 -7.879 -14.744 1.00 0.00 N ATOM 0 H ASN A 46 -4.133 -8.328 -11.886 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.577 -10.389 -13.115 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.517 -8.438 -11.839 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.007 -7.352 -13.117 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.797 -7.978 -15.247 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.196 -7.246 -15.095 1.00 0.00 H new ATOM 677 N ASN A 47 -4.198 -8.274 -15.253 1.00 0.00 N ATOM 678 CA ASN A 47 -3.858 -8.012 -16.674 1.00 0.00 C ATOM 679 C ASN A 47 -2.529 -8.687 -17.057 1.00 0.00 C ATOM 680 O ASN A 47 -2.274 -8.948 -18.238 1.00 0.00 O ATOM 681 CB ASN A 47 -3.776 -6.485 -16.932 1.00 0.00 C ATOM 682 CG ASN A 47 -5.105 -5.768 -16.666 1.00 0.00 C ATOM 683 OD1 ASN A 47 -5.949 -5.641 -17.551 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.306 -5.306 -15.444 1.00 0.00 N ATOM 0 H ASN A 47 -3.772 -7.611 -14.605 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.647 -8.436 -17.296 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.002 -6.054 -16.297 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.474 -6.311 -17.965 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.179 -4.830 -15.216 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.588 -5.425 -14.729 1.00 0.00 H new ATOM 691 N GLU A 48 -1.692 -8.973 -16.045 1.00 0.00 N ATOM 692 CA GLU A 48 -0.342 -9.533 -16.240 1.00 0.00 C ATOM 693 C GLU A 48 -0.325 -11.060 -16.104 1.00 0.00 C ATOM 694 O GLU A 48 -1.347 -11.695 -15.835 1.00 0.00 O ATOM 695 CB GLU A 48 0.655 -8.875 -15.241 1.00 0.00 C ATOM 696 CG GLU A 48 0.849 -7.358 -15.446 1.00 0.00 C ATOM 697 CD GLU A 48 1.384 -6.999 -16.843 1.00 0.00 C ATOM 698 OE1 GLU A 48 0.575 -6.791 -17.775 1.00 0.00 O ATOM 699 OE2 GLU A 48 2.621 -6.928 -17.015 1.00 0.00 O ATOM 0 H GLU A 48 -1.933 -8.822 -15.065 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.030 -9.304 -17.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.302 -9.050 -14.225 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.622 -9.369 -15.332 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.103 -6.852 -15.288 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.540 -6.981 -14.692 1.00 0.00 H new ATOM 706 N ASP A 49 0.864 -11.633 -16.340 1.00 0.00 N ATOM 707 CA ASP A 49 1.129 -13.077 -16.212 1.00 0.00 C ATOM 708 C ASP A 49 2.049 -13.328 -14.999 1.00 0.00 C ATOM 709 O ASP A 49 2.662 -14.396 -14.886 1.00 0.00 O ATOM 710 CB ASP A 49 1.787 -13.606 -17.517 1.00 0.00 C ATOM 711 CG ASP A 49 0.944 -13.341 -18.778 1.00 0.00 C ATOM 712 OD1 ASP A 49 1.082 -12.248 -19.381 1.00 0.00 O ATOM 713 OD2 ASP A 49 0.140 -14.212 -19.175 1.00 0.00 O ATOM 0 H ASP A 49 1.683 -11.099 -16.630 1.00 0.00 H new ATOM 0 HA ASP A 49 0.191 -13.610 -16.055 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.764 -13.139 -17.638 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.956 -14.678 -17.421 1.00 0.00 H new ATOM 718 N HIS A 50 2.117 -12.334 -14.082 1.00 0.00 N ATOM 719 CA HIS A 50 3.011 -12.363 -12.903 1.00 0.00 C ATOM 720 C HIS A 50 2.465 -11.440 -11.784 1.00 0.00 C ATOM 721 O HIS A 50 1.790 -10.437 -12.074 1.00 0.00 O ATOM 722 CB HIS A 50 4.463 -11.966 -13.314 1.00 0.00 C ATOM 723 CG HIS A 50 4.609 -10.588 -13.932 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.266 -10.281 -15.225 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.053 -9.428 -13.391 1.00 0.00 C ATOM 726 CE1 HIS A 50 4.509 -8.974 -15.421 1.00 0.00 C ATOM 727 NE2 HIS A 50 4.985 -8.397 -14.333 1.00 0.00 N ATOM 0 H HIS A 50 1.551 -11.487 -14.141 1.00 0.00 H new ATOM 0 HA HIS A 50 3.041 -13.379 -12.508 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.100 -12.019 -12.431 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.837 -12.705 -14.022 1.00 0.00 H new ATOM 0 HD1 HIS A 50 3.892 -10.931 -15.916 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.409 -9.316 -12.377 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.336 -8.459 -16.354 1.00 0.00 H new ATOM 735 N GLN A 51 2.775 -11.785 -10.515 1.00 0.00 N ATOM 736 CA GLN A 51 2.272 -11.071 -9.312 1.00 0.00 C ATOM 737 C GLN A 51 3.178 -9.882 -8.963 1.00 0.00 C ATOM 738 O GLN A 51 4.393 -9.949 -9.156 1.00 0.00 O ATOM 739 CB GLN A 51 2.185 -12.033 -8.092 1.00 0.00 C ATOM 740 CG GLN A 51 1.278 -13.259 -8.317 1.00 0.00 C ATOM 741 CD GLN A 51 1.190 -14.198 -7.106 1.00 0.00 C ATOM 742 OE1 GLN A 51 2.122 -14.302 -6.307 1.00 0.00 O ATOM 743 NE2 GLN A 51 0.083 -14.906 -6.973 1.00 0.00 N ATOM 0 H GLN A 51 3.385 -12.571 -10.291 1.00 0.00 H new ATOM 0 HA GLN A 51 1.273 -10.700 -9.543 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.189 -12.378 -7.844 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.817 -11.476 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.275 -12.915 -8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.649 -13.821 -9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.674 -14.801 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.015 -15.558 -6.195 1.00 0.00 H new ATOM 752 N LEU A 52 2.566 -8.795 -8.462 1.00 0.00 N ATOM 753 CA LEU A 52 3.293 -7.577 -8.038 1.00 0.00 C ATOM 754 C LEU A 52 3.672 -7.711 -6.553 1.00 0.00 C ATOM 755 O LEU A 52 2.807 -7.591 -5.682 1.00 0.00 O ATOM 756 CB LEU A 52 2.398 -6.308 -8.287 1.00 0.00 C ATOM 757 CG LEU A 52 3.076 -4.881 -8.210 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.182 -3.796 -8.846 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.442 -4.455 -6.774 1.00 0.00 C ATOM 0 H LEU A 52 1.556 -8.732 -8.338 1.00 0.00 H new ATOM 0 HA LEU A 52 4.206 -7.462 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.947 -6.408 -9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.584 -6.328 -7.562 1.00 0.00 H new ATOM 0 HG LEU A 52 4.003 -4.974 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.679 -2.828 -8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.006 -4.038 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.229 -3.754 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.903 -3.467 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.540 -4.422 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.142 -5.174 -6.349 1.00 0.00 H new ATOM 771 N ASP A 53 4.952 -7.983 -6.255 1.00 0.00 N ATOM 772 CA ASP A 53 5.468 -7.839 -4.881 1.00 0.00 C ATOM 773 C ASP A 53 5.594 -6.338 -4.572 1.00 0.00 C ATOM 774 O ASP A 53 6.315 -5.616 -5.267 1.00 0.00 O ATOM 775 CB ASP A 53 6.827 -8.565 -4.693 1.00 0.00 C ATOM 776 CG ASP A 53 7.452 -8.335 -3.297 1.00 0.00 C ATOM 777 OD1 ASP A 53 6.762 -8.572 -2.284 1.00 0.00 O ATOM 778 OD2 ASP A 53 8.618 -7.895 -3.205 1.00 0.00 O ATOM 0 H ASP A 53 5.642 -8.300 -6.936 1.00 0.00 H new ATOM 0 HA ASP A 53 4.774 -8.309 -4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.685 -9.634 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.524 -8.221 -5.457 1.00 0.00 H new ATOM 783 N ARG A 54 4.840 -5.876 -3.561 1.00 0.00 N ATOM 784 CA ARG A 54 4.745 -4.439 -3.204 1.00 0.00 C ATOM 785 C ARG A 54 6.095 -3.858 -2.732 1.00 0.00 C ATOM 786 O ARG A 54 6.282 -2.647 -2.764 1.00 0.00 O ATOM 787 CB ARG A 54 3.639 -4.187 -2.129 1.00 0.00 C ATOM 788 CG ARG A 54 3.979 -4.631 -0.676 1.00 0.00 C ATOM 789 CD ARG A 54 4.158 -6.146 -0.519 1.00 0.00 C ATOM 790 NE ARG A 54 2.928 -6.883 -0.853 1.00 0.00 N ATOM 791 CZ ARG A 54 2.881 -8.136 -1.328 1.00 0.00 C ATOM 792 NH1 ARG A 54 3.985 -8.799 -1.646 1.00 0.00 N ATOM 793 NH2 ARG A 54 1.713 -8.713 -1.501 1.00 0.00 N ATOM 0 H ARG A 54 4.277 -6.483 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 54 4.465 -3.916 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.409 -3.122 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.732 -4.705 -2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.894 -4.131 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.185 -4.297 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.970 -6.484 -1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.449 -6.373 0.507 1.00 0.00 H new ATOM 0 HE ARG A 54 2.040 -6.402 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.897 -8.356 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.922 -9.751 -2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.856 -8.208 -1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.663 -9.666 -1.862 1.00 0.00 H new ATOM 807 N PHE A 55 7.035 -4.721 -2.307 1.00 0.00 N ATOM 808 CA PHE A 55 8.356 -4.274 -1.830 1.00 0.00 C ATOM 809 C PHE A 55 9.263 -3.897 -3.018 1.00 0.00 C ATOM 810 O PHE A 55 10.197 -3.101 -2.867 1.00 0.00 O ATOM 811 CB PHE A 55 9.013 -5.366 -0.951 1.00 0.00 C ATOM 812 CG PHE A 55 8.189 -5.754 0.284 1.00 0.00 C ATOM 813 CD1 PHE A 55 7.922 -4.821 1.284 1.00 0.00 C ATOM 814 CD2 PHE A 55 7.699 -7.051 0.454 1.00 0.00 C ATOM 815 CE1 PHE A 55 7.190 -5.172 2.407 1.00 0.00 C ATOM 816 CE2 PHE A 55 6.967 -7.399 1.574 1.00 0.00 C ATOM 817 CZ PHE A 55 6.714 -6.459 2.551 1.00 0.00 C ATOM 0 H PHE A 55 6.904 -5.732 -2.284 1.00 0.00 H new ATOM 0 HA PHE A 55 8.220 -3.383 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.179 -6.256 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.992 -5.015 -0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.290 -3.811 1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.896 -7.796 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.991 -4.436 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.593 -8.406 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.144 -6.730 3.427 1.00 0.00 H new ATOM 827 N LYS A 56 8.945 -4.463 -4.202 1.00 0.00 N ATOM 828 CA LYS A 56 9.709 -4.247 -5.446 1.00 0.00 C ATOM 829 C LYS A 56 9.511 -2.840 -6.022 1.00 0.00 C ATOM 830 O LYS A 56 10.431 -2.323 -6.670 1.00 0.00 O ATOM 831 CB LYS A 56 9.315 -5.297 -6.522 1.00 0.00 C ATOM 832 CG LYS A 56 9.679 -6.751 -6.171 1.00 0.00 C ATOM 833 CD LYS A 56 11.201 -6.988 -6.059 1.00 0.00 C ATOM 834 CE LYS A 56 11.933 -6.771 -7.397 1.00 0.00 C ATOM 835 NZ LYS A 56 13.398 -7.012 -7.289 1.00 0.00 N ATOM 0 H LYS A 56 8.146 -5.086 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 56 10.761 -4.359 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.240 -5.237 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.800 -5.033 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.206 -7.019 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.270 -7.415 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.616 -6.315 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.382 -8.005 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.513 -7.438 -8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.760 -5.751 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.845 -6.853 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.807 -6.359 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.567 -7.993 -6.987 1.00 0.00 H new ATOM 849 N VAL A 57 8.316 -2.227 -5.812 1.00 0.00 N ATOM 850 CA VAL A 57 8.002 -0.924 -6.430 1.00 0.00 C ATOM 851 C VAL A 57 8.924 0.181 -5.858 1.00 0.00 C ATOM 852 O VAL A 57 8.846 0.557 -4.688 1.00 0.00 O ATOM 853 CB VAL A 57 6.465 -0.519 -6.352 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.591 -1.533 -7.120 1.00 0.00 C ATOM 855 CG2 VAL A 57 5.945 -0.353 -4.911 1.00 0.00 C ATOM 0 H VAL A 57 7.571 -2.610 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 57 8.203 -1.032 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 57 6.389 0.460 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.544 -1.236 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.895 -1.556 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.715 -2.524 -6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.891 -0.077 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.062 -1.293 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.514 0.428 -4.407 1.00 0.00 H new ATOM 865 N LYS A 58 9.865 0.623 -6.702 1.00 0.00 N ATOM 866 CA LYS A 58 10.747 1.757 -6.405 1.00 0.00 C ATOM 867 C LYS A 58 9.959 3.069 -6.562 1.00 0.00 C ATOM 868 O LYS A 58 10.211 4.064 -5.865 1.00 0.00 O ATOM 869 CB LYS A 58 11.982 1.726 -7.356 1.00 0.00 C ATOM 870 CG LYS A 58 12.961 2.920 -7.212 1.00 0.00 C ATOM 871 CD LYS A 58 13.560 3.055 -5.789 1.00 0.00 C ATOM 872 CE LYS A 58 14.470 4.292 -5.659 1.00 0.00 C ATOM 873 NZ LYS A 58 15.018 4.437 -4.284 1.00 0.00 N ATOM 0 H LYS A 58 10.036 0.201 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 58 11.108 1.690 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.533 0.802 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.626 1.692 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.772 2.804 -7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.438 3.842 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.752 3.122 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.131 2.158 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.292 4.214 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.905 5.187 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.624 5.281 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.235 4.537 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.578 3.595 -4.043 1.00 0.00 H new ATOM 887 N GLU A 59 8.970 3.035 -7.462 1.00 0.00 N ATOM 888 CA GLU A 59 8.205 4.207 -7.863 1.00 0.00 C ATOM 889 C GLU A 59 6.708 3.975 -7.697 1.00 0.00 C ATOM 890 O GLU A 59 6.242 2.865 -7.402 1.00 0.00 O ATOM 891 CB GLU A 59 8.515 4.548 -9.339 1.00 0.00 C ATOM 892 CG GLU A 59 9.958 4.983 -9.596 1.00 0.00 C ATOM 893 CD GLU A 59 10.231 5.265 -11.081 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.404 4.302 -11.859 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.245 6.445 -11.483 1.00 0.00 O ATOM 0 H GLU A 59 8.680 2.179 -7.935 1.00 0.00 H new ATOM 0 HA GLU A 59 8.494 5.038 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.296 3.676 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.845 5.344 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.173 5.879 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.637 4.205 -9.246 1.00 0.00 H new ATOM 902 N VAL A 60 5.988 5.064 -7.939 1.00 0.00 N ATOM 903 CA VAL A 60 4.531 5.170 -7.942 1.00 0.00 C ATOM 904 C VAL A 60 4.179 6.312 -8.909 1.00 0.00 C ATOM 905 O VAL A 60 5.080 6.922 -9.517 1.00 0.00 O ATOM 906 CB VAL A 60 3.926 5.492 -6.507 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.982 4.274 -5.550 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.627 6.723 -5.880 1.00 0.00 C ATOM 0 H VAL A 60 6.434 5.956 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 60 4.106 4.213 -8.244 1.00 0.00 H new ATOM 0 HB VAL A 60 2.872 5.727 -6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.556 4.550 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.411 3.450 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.019 3.965 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.198 6.926 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.693 6.520 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.484 7.590 -6.525 1.00 0.00 H new ATOM 918 N GLN A 61 2.886 6.608 -9.068 1.00 0.00 N ATOM 919 CA GLN A 61 2.473 7.863 -9.706 1.00 0.00 C ATOM 920 C GLN A 61 1.192 8.396 -9.079 1.00 0.00 C ATOM 921 O GLN A 61 0.432 7.667 -8.461 1.00 0.00 O ATOM 922 CB GLN A 61 2.326 7.760 -11.253 1.00 0.00 C ATOM 923 CG GLN A 61 0.962 7.307 -11.808 1.00 0.00 C ATOM 924 CD GLN A 61 0.798 7.570 -13.319 1.00 0.00 C ATOM 925 OE1 GLN A 61 0.128 6.823 -14.018 1.00 0.00 O ATOM 926 NE2 GLN A 61 1.386 8.650 -13.830 1.00 0.00 N ATOM 0 H GLN A 61 2.117 6.007 -8.770 1.00 0.00 H new ATOM 0 HA GLN A 61 3.282 8.570 -9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.555 8.737 -11.679 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.085 7.068 -11.618 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.836 6.241 -11.616 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.169 7.824 -11.268 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.941 9.261 -13.230 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.282 8.867 -14.821 1.00 0.00 H new ATOM 935 N CYS A 62 0.980 9.684 -9.290 1.00 0.00 N ATOM 936 CA CYS A 62 -0.190 10.425 -8.828 1.00 0.00 C ATOM 937 C CYS A 62 -1.171 10.504 -9.987 1.00 0.00 C ATOM 938 O CYS A 62 -0.848 11.124 -10.984 1.00 0.00 O ATOM 939 CB CYS A 62 0.285 11.829 -8.403 1.00 0.00 C ATOM 940 SG CYS A 62 -0.996 13.094 -8.181 1.00 0.00 S ATOM 0 H CYS A 62 1.639 10.267 -9.806 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.680 9.945 -7.981 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.833 11.733 -7.466 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.992 12.189 -9.150 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.932 13.952 -9.156 1.00 0.00 H new ATOM 945 N ILE A 63 -2.352 9.863 -9.871 1.00 0.00 N ATOM 946 CA ILE A 63 -3.346 9.812 -10.979 1.00 0.00 C ATOM 947 C ILE A 63 -3.879 11.241 -11.248 1.00 0.00 C ATOM 948 O ILE A 63 -4.234 11.598 -12.372 1.00 0.00 O ATOM 949 CB ILE A 63 -4.549 8.842 -10.657 1.00 0.00 C ATOM 950 CG1 ILE A 63 -4.041 7.526 -9.994 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.355 8.502 -11.936 1.00 0.00 C ATOM 952 CD1 ILE A 63 -5.125 6.550 -9.563 1.00 0.00 C ATOM 0 H ILE A 63 -2.646 9.373 -9.026 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.844 9.421 -11.864 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.205 9.361 -9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.378 7.019 -10.695 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.443 7.787 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.176 7.832 -11.681 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.755 9.419 -12.368 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.701 8.015 -12.659 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.665 5.670 -9.115 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.777 7.030 -8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.711 6.250 -10.432 1.00 0.00 H new ATOM 964 N ASN A 64 -3.871 12.048 -10.173 1.00 0.00 N ATOM 965 CA ASN A 64 -4.274 13.459 -10.185 1.00 0.00 C ATOM 966 C ASN A 64 -3.059 14.370 -10.528 1.00 0.00 C ATOM 967 O ASN A 64 -2.496 15.021 -9.646 1.00 0.00 O ATOM 968 CB ASN A 64 -4.864 13.797 -8.797 1.00 0.00 C ATOM 969 CG ASN A 64 -5.488 15.201 -8.674 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.668 15.397 -8.965 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.709 16.173 -8.232 1.00 0.00 N ATOM 0 H ASN A 64 -3.576 11.726 -9.251 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.028 13.635 -10.953 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.625 13.056 -8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.075 13.701 -8.051 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.082 17.116 -8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.735 15.980 -7.999 1.00 0.00 H new ATOM 978 N CYS A 65 -2.599 14.222 -11.782 1.00 0.00 N ATOM 979 CA CYS A 65 -1.639 15.113 -12.539 1.00 0.00 C ATOM 980 C CYS A 65 -0.615 14.259 -13.298 1.00 0.00 C ATOM 981 O CYS A 65 0.188 14.798 -14.072 1.00 0.00 O ATOM 982 CB CYS A 65 -0.871 16.197 -11.719 1.00 0.00 C ATOM 983 SG CYS A 65 0.458 15.570 -10.640 1.00 0.00 S ATOM 0 H CYS A 65 -2.895 13.429 -12.352 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.295 15.677 -13.202 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.441 16.917 -12.415 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.589 16.739 -11.104 1.00 0.00 H new ATOM 0 HG CYS A 65 0.189 15.866 -9.403 1.00 0.00 H new ATOM 988 N GLU A 66 -0.630 12.931 -13.030 1.00 0.00 N ATOM 989 CA GLU A 66 0.183 11.913 -13.757 1.00 0.00 C ATOM 990 C GLU A 66 1.673 11.973 -13.348 1.00 0.00 C ATOM 991 O GLU A 66 2.538 11.439 -14.055 1.00 0.00 O ATOM 992 CB GLU A 66 0.007 12.016 -15.308 1.00 0.00 C ATOM 993 CG GLU A 66 -1.435 11.775 -15.805 1.00 0.00 C ATOM 994 CD GLU A 66 -1.593 11.979 -17.324 1.00 0.00 C ATOM 995 OE1 GLU A 66 -1.368 11.017 -18.092 1.00 0.00 O ATOM 996 OE2 GLU A 66 -1.922 13.109 -17.758 1.00 0.00 O ATOM 0 H GLU A 66 -1.212 12.527 -12.296 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.197 10.936 -13.459 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.329 13.005 -15.633 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.668 11.293 -15.785 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.737 10.760 -15.548 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.111 12.451 -15.281 1.00 0.00 H new ATOM 1003 N LYS A 67 1.950 12.574 -12.170 1.00 0.00 N ATOM 1004 CA LYS A 67 3.321 12.743 -11.658 1.00 0.00 C ATOM 1005 C LYS A 67 3.954 11.388 -11.300 1.00 0.00 C ATOM 1006 O LYS A 67 3.517 10.733 -10.354 1.00 0.00 O ATOM 1007 CB LYS A 67 3.322 13.686 -10.420 1.00 0.00 C ATOM 1008 CG LYS A 67 4.708 13.892 -9.751 1.00 0.00 C ATOM 1009 CD LYS A 67 5.771 14.467 -10.722 1.00 0.00 C ATOM 1010 CE LYS A 67 7.170 14.567 -10.093 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.212 15.506 -8.946 1.00 0.00 N ATOM 0 H LYS A 67 1.231 12.953 -11.553 1.00 0.00 H new ATOM 0 HA LYS A 67 3.922 13.195 -12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.934 14.658 -10.723 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.633 13.285 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.598 14.566 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.061 12.938 -9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.822 13.837 -11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.456 15.457 -11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.487 13.578 -9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.883 14.892 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.184 15.563 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.904 16.449 -9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.578 15.165 -8.195 1.00 0.00 H new ATOM 1025 N ILE A 68 4.991 10.999 -12.060 1.00 0.00 N ATOM 1026 CA ILE A 68 5.815 9.822 -11.753 1.00 0.00 C ATOM 1027 C ILE A 68 6.860 10.252 -10.712 1.00 0.00 C ATOM 1028 O ILE A 68 7.663 11.159 -10.964 1.00 0.00 O ATOM 1029 CB ILE A 68 6.544 9.252 -13.035 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.518 8.721 -14.098 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.574 8.152 -12.657 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.874 7.375 -13.774 1.00 0.00 C ATOM 0 H ILE A 68 5.280 11.493 -12.904 1.00 0.00 H new ATOM 0 HA ILE A 68 5.174 9.026 -11.375 1.00 0.00 H new ATOM 0 HB ILE A 68 7.089 10.079 -13.490 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.728 9.463 -14.217 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.026 8.639 -15.059 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.058 7.781 -13.560 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.326 8.572 -11.989 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.062 7.331 -12.156 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.183 7.101 -14.571 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.648 6.613 -13.687 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.330 7.449 -12.832 1.00 0.00 H new ATOM 1044 N GLN A 69 6.819 9.606 -9.548 1.00 0.00 N ATOM 1045 CA GLN A 69 7.677 9.947 -8.407 1.00 0.00 C ATOM 1046 C GLN A 69 8.000 8.686 -7.602 1.00 0.00 C ATOM 1047 O GLN A 69 7.433 7.620 -7.853 1.00 0.00 O ATOM 1048 CB GLN A 69 6.983 11.017 -7.516 1.00 0.00 C ATOM 1049 CG GLN A 69 5.626 10.591 -6.909 1.00 0.00 C ATOM 1050 CD GLN A 69 4.976 11.691 -6.062 1.00 0.00 C ATOM 1051 OE1 GLN A 69 4.183 12.498 -6.560 1.00 0.00 O ATOM 1052 NE2 GLN A 69 5.306 11.732 -4.777 1.00 0.00 N ATOM 0 H GLN A 69 6.187 8.826 -9.366 1.00 0.00 H new ATOM 0 HA GLN A 69 8.613 10.368 -8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.659 11.283 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.830 11.918 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.946 10.311 -7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.773 9.704 -6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.964 11.051 -4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.902 12.444 -4.169 1.00 0.00 H new ATOM 1061 N HIS A 70 8.934 8.808 -6.646 1.00 0.00 N ATOM 1062 CA HIS A 70 9.241 7.722 -5.696 1.00 0.00 C ATOM 1063 C HIS A 70 8.064 7.528 -4.719 1.00 0.00 C ATOM 1064 O HIS A 70 7.225 8.433 -4.559 1.00 0.00 O ATOM 1065 CB HIS A 70 10.546 8.023 -4.916 1.00 0.00 C ATOM 1066 CG HIS A 70 10.438 9.136 -3.893 1.00 0.00 C ATOM 1067 ND1 HIS A 70 10.133 8.907 -2.568 1.00 0.00 N ATOM 1068 CD2 HIS A 70 10.595 10.479 -4.002 1.00 0.00 C ATOM 1069 CE1 HIS A 70 10.109 10.044 -1.918 1.00 0.00 C ATOM 1070 NE2 HIS A 70 10.387 11.016 -2.759 1.00 0.00 N ATOM 0 H HIS A 70 9.493 9.650 -6.508 1.00 0.00 H new ATOM 0 HA HIS A 70 9.389 6.801 -6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.866 7.113 -4.408 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.327 8.281 -5.631 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.839 11.024 -4.902 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.896 10.163 -0.866 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.439 12.007 -2.524 1.00 0.00 H new ATOM 1079 N ALA A 71 8.024 6.358 -4.062 1.00 0.00 N ATOM 1080 CA ALA A 71 6.979 6.023 -3.081 1.00 0.00 C ATOM 1081 C ALA A 71 6.974 7.032 -1.895 1.00 0.00 C ATOM 1082 O ALA A 71 7.867 7.009 -1.036 1.00 0.00 O ATOM 1083 CB ALA A 71 7.166 4.575 -2.609 1.00 0.00 C ATOM 0 H ALA A 71 8.714 5.619 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 71 6.001 6.103 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.392 4.326 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.092 3.902 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.147 4.467 -2.146 1.00 0.00 H new ATOM 1089 N GLN A 72 5.967 7.929 -1.895 1.00 0.00 N ATOM 1090 CA GLN A 72 5.858 9.067 -0.946 1.00 0.00 C ATOM 1091 C GLN A 72 4.388 9.229 -0.504 1.00 0.00 C ATOM 1092 O GLN A 72 3.488 8.746 -1.191 1.00 0.00 O ATOM 1093 CB GLN A 72 6.400 10.356 -1.646 1.00 0.00 C ATOM 1094 CG GLN A 72 6.582 11.595 -0.737 1.00 0.00 C ATOM 1095 CD GLN A 72 7.313 12.756 -1.442 1.00 0.00 C ATOM 1096 OE1 GLN A 72 8.543 12.835 -1.426 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.576 13.668 -2.042 1.00 0.00 N ATOM 0 H GLN A 72 5.195 7.887 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 72 6.453 8.884 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.361 10.121 -2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.719 10.620 -2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.604 11.939 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.142 11.307 0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.560 13.583 -2.043 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.022 14.460 -2.506 1.00 0.00 H new ATOM 1106 N GLN A 73 4.152 9.886 0.656 1.00 0.00 N ATOM 1107 CA GLN A 73 2.788 10.062 1.210 1.00 0.00 C ATOM 1108 C GLN A 73 1.972 11.105 0.418 1.00 0.00 C ATOM 1109 O GLN A 73 0.743 11.026 0.369 1.00 0.00 O ATOM 1110 CB GLN A 73 2.829 10.479 2.709 1.00 0.00 C ATOM 1111 CG GLN A 73 1.423 10.585 3.360 1.00 0.00 C ATOM 1112 CD GLN A 73 1.405 11.135 4.785 1.00 0.00 C ATOM 1113 OE1 GLN A 73 2.247 11.942 5.173 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.440 10.695 5.575 1.00 0.00 N ATOM 0 H GLN A 73 4.888 10.303 1.226 1.00 0.00 H new ATOM 0 HA GLN A 73 2.298 9.093 1.121 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.424 9.754 3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.335 11.440 2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.798 11.222 2.734 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.967 9.595 3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.243 10.025 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.379 11.026 6.538 1.00 0.00 H new ATOM 1123 N THR A 74 2.648 12.105 -0.164 1.00 0.00 N ATOM 1124 CA THR A 74 1.969 13.215 -0.861 1.00 0.00 C ATOM 1125 C THR A 74 2.681 13.530 -2.193 1.00 0.00 C ATOM 1126 O THR A 74 3.773 13.030 -2.469 1.00 0.00 O ATOM 1127 CB THR A 74 1.898 14.497 0.056 1.00 0.00 C ATOM 1128 OG1 THR A 74 1.619 14.101 1.419 1.00 0.00 O ATOM 1129 CG2 THR A 74 0.805 15.491 -0.387 1.00 0.00 C ATOM 0 H THR A 74 3.666 12.171 -0.168 1.00 0.00 H new ATOM 0 HA THR A 74 0.947 12.906 -1.083 1.00 0.00 H new ATOM 0 HB THR A 74 2.864 14.995 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.576 14.897 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.804 16.352 0.281 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.006 15.822 -1.406 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.168 15.002 -0.350 1.00 0.00 H new ATOM 1137 N CYS A 75 1.994 14.308 -3.031 1.00 0.00 N ATOM 1138 CA CYS A 75 2.501 14.821 -4.302 1.00 0.00 C ATOM 1139 C CYS A 75 2.830 16.297 -4.130 1.00 0.00 C ATOM 1140 O CYS A 75 1.935 17.115 -4.051 1.00 0.00 O ATOM 1141 CB CYS A 75 1.413 14.643 -5.372 1.00 0.00 C ATOM 1142 SG CYS A 75 1.749 15.340 -7.019 1.00 0.00 S ATOM 0 H CYS A 75 1.039 14.607 -2.836 1.00 0.00 H new ATOM 0 HA CYS A 75 3.398 14.283 -4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.224 13.576 -5.488 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.493 15.090 -4.997 1.00 0.00 H new ATOM 0 HG CYS A 75 0.692 15.962 -7.451 1.00 0.00 H new ATOM 1147 N GLU A 76 4.114 16.603 -4.026 1.00 0.00 N ATOM 1148 CA GLU A 76 4.662 17.980 -4.067 1.00 0.00 C ATOM 1149 C GLU A 76 4.183 18.777 -5.315 1.00 0.00 C ATOM 1150 O GLU A 76 4.109 20.011 -5.286 1.00 0.00 O ATOM 1151 CB GLU A 76 6.221 17.906 -4.041 1.00 0.00 C ATOM 1152 CG GLU A 76 6.891 17.227 -5.271 1.00 0.00 C ATOM 1153 CD GLU A 76 6.435 15.773 -5.536 1.00 0.00 C ATOM 1154 OE1 GLU A 76 6.796 14.877 -4.745 1.00 0.00 O ATOM 1155 OE2 GLU A 76 5.661 15.536 -6.499 1.00 0.00 O ATOM 0 H GLU A 76 4.836 15.892 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 76 4.291 18.515 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.612 18.920 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.525 17.368 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.682 17.826 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.972 17.234 -5.129 1.00 0.00 H new ATOM 1162 N GLU A 77 3.853 18.041 -6.389 1.00 0.00 N ATOM 1163 CA GLU A 77 3.453 18.604 -7.686 1.00 0.00 C ATOM 1164 C GLU A 77 2.048 19.263 -7.642 1.00 0.00 C ATOM 1165 O GLU A 77 1.818 20.253 -8.343 1.00 0.00 O ATOM 1166 CB GLU A 77 3.512 17.476 -8.762 1.00 0.00 C ATOM 1167 CG GLU A 77 3.705 17.951 -10.220 1.00 0.00 C ATOM 1168 CD GLU A 77 5.064 18.639 -10.473 1.00 0.00 C ATOM 1169 OE1 GLU A 77 6.113 18.061 -10.102 1.00 0.00 O ATOM 1170 OE2 GLU A 77 5.099 19.741 -11.059 1.00 0.00 O ATOM 0 H GLU A 77 3.857 17.021 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 77 4.149 19.402 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.328 16.800 -8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.590 16.898 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.611 17.094 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.904 18.644 -10.476 1.00 0.00 H new ATOM 1177 N CYS A 78 1.111 18.727 -6.811 1.00 0.00 N ATOM 1178 CA CYS A 78 -0.296 19.239 -6.768 1.00 0.00 C ATOM 1179 C CYS A 78 -1.015 18.901 -5.433 1.00 0.00 C ATOM 1180 O CYS A 78 -2.247 18.898 -5.385 1.00 0.00 O ATOM 1181 CB CYS A 78 -1.115 18.667 -7.958 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.640 16.935 -7.744 1.00 0.00 S ATOM 0 H CYS A 78 1.296 17.954 -6.171 1.00 0.00 H new ATOM 0 HA CYS A 78 -0.237 20.325 -6.844 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.999 19.287 -8.106 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.516 18.743 -8.866 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.931 16.423 -8.903 1.00 0.00 H new ATOM 1187 N SER A 79 -0.235 18.612 -4.366 1.00 0.00 N ATOM 1188 CA SER A 79 -0.732 18.310 -2.987 1.00 0.00 C ATOM 1189 C SER A 79 -1.717 17.112 -2.921 1.00 0.00 C ATOM 1190 O SER A 79 -2.547 17.042 -2.012 1.00 0.00 O ATOM 1191 CB SER A 79 -1.299 19.588 -2.286 1.00 0.00 C ATOM 1192 OG SER A 79 -2.435 20.123 -2.950 1.00 0.00 O ATOM 0 H SER A 79 0.782 18.579 -4.433 1.00 0.00 H new ATOM 0 HA SER A 79 0.141 17.985 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.566 19.344 -1.258 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.519 20.348 -2.241 1.00 0.00 H new ATOM 0 HG SER A 79 -2.578 19.642 -3.792 1.00 0.00 H new ATOM 1198 N THR A 80 -1.560 16.137 -3.853 1.00 0.00 N ATOM 1199 CA THR A 80 -2.354 14.887 -3.839 1.00 0.00 C ATOM 1200 C THR A 80 -1.893 14.004 -2.673 1.00 0.00 C ATOM 1201 O THR A 80 -0.770 13.489 -2.689 1.00 0.00 O ATOM 1202 CB THR A 80 -2.227 14.083 -5.181 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.698 14.880 -6.269 1.00 0.00 O ATOM 1204 CG2 THR A 80 -2.999 12.739 -5.160 1.00 0.00 C ATOM 0 H THR A 80 -0.891 16.195 -4.621 1.00 0.00 H new ATOM 0 HA THR A 80 -3.401 15.165 -3.720 1.00 0.00 H new ATOM 0 HB THR A 80 -1.170 13.847 -5.305 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.949 15.379 -6.657 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.872 12.231 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.611 12.109 -4.360 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.058 12.931 -4.989 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.746 13.889 -1.657 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.533 13.000 -0.519 1.00 0.00 C ATOM 1214 C LEU A 81 -2.813 11.544 -0.970 1.00 0.00 C ATOM 1215 O LEU A 81 -3.944 11.200 -1.340 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.434 13.484 0.666 1.00 0.00 C ATOM 1217 CG LEU A 81 -3.376 12.716 2.041 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -4.276 11.468 2.048 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -1.915 12.374 2.440 1.00 0.00 C ATOM 0 H LEU A 81 -3.616 14.418 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.504 13.024 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.185 14.527 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.468 13.462 0.322 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.772 13.391 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.203 10.972 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.310 11.764 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.954 10.783 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.912 11.845 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.467 11.742 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.339 13.294 2.535 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.749 10.729 -0.977 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.800 9.301 -1.370 1.00 0.00 C ATOM 1233 C PHE A 82 -2.563 8.494 -0.320 1.00 0.00 C ATOM 1234 O PHE A 82 -3.383 7.640 -0.661 1.00 0.00 O ATOM 1235 CB PHE A 82 -0.363 8.700 -1.526 1.00 0.00 C ATOM 1236 CG PHE A 82 0.479 9.231 -2.695 1.00 0.00 C ATOM 1237 CD1 PHE A 82 0.426 10.565 -3.097 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.342 8.378 -3.390 1.00 0.00 C ATOM 1239 CE1 PHE A 82 1.193 11.025 -4.148 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.109 8.844 -4.439 1.00 0.00 C ATOM 1241 CZ PHE A 82 2.033 10.167 -4.818 1.00 0.00 C ATOM 0 H PHE A 82 -0.815 11.040 -0.708 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.311 9.243 -2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.185 8.881 -0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.455 7.619 -1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.227 11.250 -2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.409 7.339 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.133 12.062 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.770 8.170 -4.964 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.632 10.529 -5.640 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.300 8.806 0.962 1.00 0.00 N ATOM 1252 CA GLY A 83 -2.846 8.022 2.059 1.00 0.00 C ATOM 1253 C GLY A 83 -2.751 8.715 3.408 1.00 0.00 C ATOM 1254 O GLY A 83 -1.685 9.236 3.761 1.00 0.00 O ATOM 0 H GLY A 83 -1.716 9.591 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.891 7.797 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.319 7.069 2.111 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.897 8.748 4.141 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.975 9.238 5.536 1.00 0.00 C ATOM 1260 C GLU A 84 -2.927 8.505 6.401 1.00 0.00 C ATOM 1261 O GLU A 84 -2.138 9.120 7.133 1.00 0.00 O ATOM 1262 CB GLU A 84 -5.398 8.973 6.118 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.587 9.550 5.315 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.639 11.089 5.271 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.618 11.724 6.347 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -6.760 11.670 4.174 1.00 0.00 O ATOM 0 H GLU A 84 -4.795 8.433 3.774 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.777 10.310 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.536 7.895 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.436 9.383 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.538 9.171 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.516 9.180 5.748 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.947 7.174 6.266 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.997 6.260 6.899 1.00 0.00 C ATOM 1275 C TYR A 85 -1.006 5.772 5.823 1.00 0.00 C ATOM 1276 O TYR A 85 -1.418 5.156 4.831 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.784 5.078 7.521 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.952 4.099 8.367 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -1.271 3.022 7.785 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -1.875 4.236 9.758 1.00 0.00 C ATOM 1281 CE1 TYR A 85 -0.554 2.132 8.553 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -1.160 3.341 10.528 1.00 0.00 C ATOM 1283 CZ TYR A 85 -0.501 2.293 9.921 1.00 0.00 C ATOM 1284 OH TYR A 85 0.207 1.393 10.684 1.00 0.00 O ATOM 0 H TYR A 85 -3.644 6.693 5.698 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.437 6.754 7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.581 5.483 8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.262 4.519 6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.309 2.887 6.714 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.385 5.058 10.238 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.034 1.309 8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.117 3.461 11.600 1.00 0.00 H new ATOM 0 HH TYR A 85 0.147 1.647 11.629 1.00 0.00 H new ATOM 1294 N TYR A 86 0.293 6.033 6.025 1.00 0.00 N ATOM 1295 CA TYR A 86 1.349 5.680 5.049 1.00 0.00 C ATOM 1296 C TYR A 86 2.406 4.795 5.716 1.00 0.00 C ATOM 1297 O TYR A 86 2.578 4.844 6.943 1.00 0.00 O ATOM 1298 CB TYR A 86 2.010 6.955 4.449 1.00 0.00 C ATOM 1299 CG TYR A 86 2.999 7.699 5.372 1.00 0.00 C ATOM 1300 CD1 TYR A 86 2.558 8.387 6.504 1.00 0.00 C ATOM 1301 CD2 TYR A 86 4.375 7.719 5.100 1.00 0.00 C ATOM 1302 CE1 TYR A 86 3.440 9.065 7.320 1.00 0.00 C ATOM 1303 CE2 TYR A 86 5.254 8.400 5.912 1.00 0.00 C ATOM 1304 CZ TYR A 86 4.784 9.069 7.021 1.00 0.00 C ATOM 1305 OH TYR A 86 5.664 9.762 7.823 1.00 0.00 O ATOM 0 H TYR A 86 0.647 6.493 6.864 1.00 0.00 H new ATOM 0 HA TYR A 86 0.886 5.127 4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.536 6.673 3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.220 7.649 4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.505 8.388 6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.752 7.190 4.237 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.077 9.591 8.191 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.309 8.410 5.680 1.00 0.00 H new ATOM 0 HH TYR A 86 6.574 9.661 7.473 1.00 0.00 H new ATOM 1315 N CYS A 87 3.103 3.984 4.905 1.00 0.00 N ATOM 1316 CA CYS A 87 4.206 3.146 5.387 1.00 0.00 C ATOM 1317 C CYS A 87 5.099 2.732 4.209 1.00 0.00 C ATOM 1318 O CYS A 87 4.660 1.977 3.333 1.00 0.00 O ATOM 1319 CB CYS A 87 3.631 1.909 6.094 1.00 0.00 C ATOM 1320 SG CYS A 87 4.830 0.914 7.030 1.00 0.00 S ATOM 0 H CYS A 87 2.918 3.893 3.906 1.00 0.00 H new ATOM 0 HA CYS A 87 4.814 3.708 6.096 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.845 2.234 6.775 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.161 1.271 5.346 1.00 0.00 H new ATOM 0 HG CYS A 87 4.723 -0.334 6.683 1.00 0.00 H new ATOM 1325 N ASP A 88 6.349 3.224 4.210 1.00 0.00 N ATOM 1326 CA ASP A 88 7.347 2.966 3.148 1.00 0.00 C ATOM 1327 C ASP A 88 7.943 1.551 3.254 1.00 0.00 C ATOM 1328 O ASP A 88 8.250 0.931 2.228 1.00 0.00 O ATOM 1329 CB ASP A 88 8.469 4.034 3.207 1.00 0.00 C ATOM 1330 CG ASP A 88 9.135 4.149 4.593 1.00 0.00 C ATOM 1331 OD1 ASP A 88 8.631 4.920 5.440 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.142 3.455 4.852 1.00 0.00 O ATOM 0 H ASP A 88 6.704 3.821 4.957 1.00 0.00 H new ATOM 0 HA ASP A 88 6.838 3.031 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.230 3.791 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.053 5.003 2.931 1.00 0.00 H new ATOM 1337 N ILE A 89 8.072 1.047 4.506 1.00 0.00 N ATOM 1338 CA ILE A 89 8.593 -0.308 4.798 1.00 0.00 C ATOM 1339 C ILE A 89 7.734 -1.375 4.080 1.00 0.00 C ATOM 1340 O ILE A 89 8.257 -2.324 3.494 1.00 0.00 O ATOM 1341 CB ILE A 89 8.613 -0.584 6.360 1.00 0.00 C ATOM 1342 CG1 ILE A 89 9.546 0.445 7.085 1.00 0.00 C ATOM 1343 CG2 ILE A 89 9.039 -2.046 6.690 1.00 0.00 C ATOM 1344 CD1 ILE A 89 9.579 0.336 8.604 1.00 0.00 C ATOM 0 H ILE A 89 7.816 1.572 5.343 1.00 0.00 H new ATOM 0 HA ILE A 89 9.617 -0.367 4.428 1.00 0.00 H new ATOM 0 HB ILE A 89 7.595 -0.456 6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.560 0.320 6.706 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.227 1.452 6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.039 -2.190 7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.337 -2.742 6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.040 -2.230 6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 89 10.253 1.091 9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.577 0.494 9.002 1.00 0.00 H new ATOM 0 HD13 ILE A 89 9.931 -0.655 8.890 1.00 0.00 H new ATOM 1356 N CYS A 90 6.407 -1.160 4.103 1.00 0.00 N ATOM 1357 CA CYS A 90 5.422 -2.075 3.497 1.00 0.00 C ATOM 1358 C CYS A 90 4.940 -1.560 2.122 1.00 0.00 C ATOM 1359 O CYS A 90 4.206 -2.270 1.433 1.00 0.00 O ATOM 1360 CB CYS A 90 4.225 -2.221 4.447 1.00 0.00 C ATOM 1361 SG CYS A 90 4.654 -2.702 6.146 1.00 0.00 S ATOM 0 H CYS A 90 5.985 -0.343 4.544 1.00 0.00 H new ATOM 0 HA CYS A 90 5.899 -3.042 3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.686 -1.274 4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.541 -2.964 4.036 1.00 0.00 H new ATOM 0 HG CYS A 90 5.589 -3.605 6.118 1.00 0.00 H new ATOM 1366 N HIS A 91 5.334 -0.308 1.763 1.00 0.00 N ATOM 1367 CA HIS A 91 4.951 0.366 0.488 1.00 0.00 C ATOM 1368 C HIS A 91 3.423 0.539 0.325 1.00 0.00 C ATOM 1369 O HIS A 91 2.925 0.690 -0.798 1.00 0.00 O ATOM 1370 CB HIS A 91 5.568 -0.371 -0.738 1.00 0.00 C ATOM 1371 CG HIS A 91 7.002 -0.016 -1.030 1.00 0.00 C ATOM 1372 ND1 HIS A 91 8.083 -0.560 -0.366 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.514 0.835 -1.944 1.00 0.00 C ATOM 1374 CE1 HIS A 91 9.196 -0.055 -0.864 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.880 0.793 -1.823 1.00 0.00 N ATOM 0 H HIS A 91 5.932 0.268 2.355 1.00 0.00 H new ATOM 0 HA HIS A 91 5.366 1.373 0.535 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.501 -1.446 -0.570 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.966 -0.148 -1.619 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.952 1.438 -2.642 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.198 -0.296 -0.540 1.00 0.00 H new ATOM 0 HE2 HIS A 91 9.542 1.330 -2.383 1.00 0.00 H new ATOM 1384 N LEU A 92 2.687 0.560 1.448 1.00 0.00 N ATOM 1385 CA LEU A 92 1.225 0.736 1.433 1.00 0.00 C ATOM 1386 C LEU A 92 0.896 2.157 1.914 1.00 0.00 C ATOM 1387 O LEU A 92 1.356 2.582 2.985 1.00 0.00 O ATOM 1388 CB LEU A 92 0.523 -0.392 2.268 1.00 0.00 C ATOM 1389 CG LEU A 92 0.716 -0.427 3.837 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.310 0.463 4.598 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.651 -1.883 4.364 1.00 0.00 C ATOM 0 H LEU A 92 3.083 0.457 2.382 1.00 0.00 H new ATOM 0 HA LEU A 92 0.833 0.633 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.547 -0.328 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.863 -1.350 1.875 1.00 0.00 H new ATOM 0 HG LEU A 92 1.705 -0.012 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.125 0.396 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.203 1.499 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.321 0.118 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.786 -1.885 5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.319 -2.316 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.440 -2.474 3.899 1.00 0.00 H new ATOM 1403 N PHE A 93 0.185 2.919 1.066 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.264 4.293 1.381 1.00 0.00 C ATOM 1405 C PHE A 93 -1.758 4.345 1.080 1.00 0.00 C ATOM 1406 O PHE A 93 -2.140 4.245 -0.078 1.00 0.00 O ATOM 1407 CB PHE A 93 0.494 5.353 0.512 1.00 0.00 C ATOM 1408 CG PHE A 93 1.995 5.096 0.353 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.828 4.954 1.464 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.570 4.996 -0.914 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.175 4.716 1.314 1.00 0.00 C ATOM 1412 CE2 PHE A 93 3.917 4.758 -1.062 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.721 4.616 0.054 1.00 0.00 C ATOM 0 H PHE A 93 -0.097 2.602 0.139 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.056 4.529 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.038 5.384 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.353 6.337 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.409 5.032 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.949 5.107 -1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.804 4.608 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.346 4.682 -2.050 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.778 4.427 -0.063 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.588 4.495 2.110 1.00 0.00 N ATOM 1424 CA ASP A 94 -4.052 4.358 1.973 1.00 0.00 C ATOM 1425 C ASP A 94 -4.734 5.184 3.068 1.00 0.00 C ATOM 1426 O ASP A 94 -4.045 5.777 3.902 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.447 2.847 2.076 1.00 0.00 C ATOM 1428 CG ASP A 94 -5.671 2.485 1.221 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -6.815 2.707 1.660 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -5.476 1.997 0.089 1.00 0.00 O ATOM 0 H ASP A 94 -2.278 4.713 3.057 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.379 4.729 1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.601 2.234 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.653 2.602 3.118 1.00 0.00 H new ATOM 1435 N LYS A 95 -6.079 5.227 3.069 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.850 5.852 4.165 1.00 0.00 C ATOM 1437 C LYS A 95 -6.462 5.281 5.539 1.00 0.00 C ATOM 1438 O LYS A 95 -5.871 4.194 5.643 1.00 0.00 O ATOM 1439 CB LYS A 95 -8.371 5.619 3.995 1.00 0.00 C ATOM 1440 CG LYS A 95 -9.103 6.572 3.046 1.00 0.00 C ATOM 1441 CD LYS A 95 -10.626 6.304 3.080 1.00 0.00 C ATOM 1442 CE LYS A 95 -11.440 7.410 2.409 1.00 0.00 C ATOM 1443 NZ LYS A 95 -11.203 7.498 0.945 1.00 0.00 N ATOM 0 H LYS A 95 -6.656 4.837 2.324 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.615 6.915 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.523 4.600 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.839 5.688 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.903 7.605 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.727 6.444 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.834 5.355 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.948 6.200 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.500 7.234 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.192 8.366 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.819 8.230 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.208 7.744 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.416 6.581 0.503 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.860 6.004 6.595 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.832 5.443 7.939 1.00 0.00 C ATOM 1459 C ASP A 96 -8.077 4.558 8.064 1.00 0.00 C ATOM 1460 O ASP A 96 -9.210 5.045 8.123 1.00 0.00 O ATOM 1461 CB ASP A 96 -6.804 6.535 9.036 1.00 0.00 C ATOM 1462 CG ASP A 96 -6.882 5.943 10.466 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -5.884 5.333 10.928 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -7.947 6.054 11.119 1.00 0.00 O ATOM 0 H ASP A 96 -7.199 6.964 6.540 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.919 4.867 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.890 7.120 8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.638 7.220 8.884 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.833 3.257 8.061 1.00 0.00 N ATOM 1470 CA LYS A 97 -8.859 2.214 8.178 1.00 0.00 C ATOM 1471 C LYS A 97 -8.600 1.465 9.482 1.00 0.00 C ATOM 1472 O LYS A 97 -8.782 0.237 9.574 1.00 0.00 O ATOM 1473 CB LYS A 97 -8.793 1.296 6.925 1.00 0.00 C ATOM 1474 CG LYS A 97 -9.162 2.017 5.604 1.00 0.00 C ATOM 1475 CD LYS A 97 -8.986 1.127 4.353 1.00 0.00 C ATOM 1476 CE LYS A 97 -9.530 1.791 3.081 1.00 0.00 C ATOM 1477 NZ LYS A 97 -10.999 1.996 3.133 1.00 0.00 N ATOM 0 H LYS A 97 -6.890 2.879 7.975 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.868 2.625 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.786 0.888 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.467 0.452 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.197 2.354 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.542 2.907 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.928 0.901 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.498 0.178 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.037 2.752 2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.283 1.173 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.345 2.271 2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.463 1.113 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.221 2.748 3.816 1.00 0.00 H new ATOM 1491 N LYS A 98 -8.144 2.265 10.488 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.880 1.836 11.868 1.00 0.00 C ATOM 1493 C LYS A 98 -6.683 0.871 11.962 1.00 0.00 C ATOM 1494 O LYS A 98 -6.389 0.372 13.043 1.00 0.00 O ATOM 1495 CB LYS A 98 -9.168 1.233 12.501 1.00 0.00 C ATOM 1496 CG LYS A 98 -10.402 2.168 12.446 1.00 0.00 C ATOM 1497 CD LYS A 98 -10.147 3.555 13.089 1.00 0.00 C ATOM 1498 CE LYS A 98 -11.322 4.524 12.877 1.00 0.00 C ATOM 1499 NZ LYS A 98 -12.599 3.985 13.415 1.00 0.00 N ATOM 0 H LYS A 98 -7.948 3.255 10.342 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.599 2.718 12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.409 0.302 11.989 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.964 0.981 13.542 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.699 2.306 11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.237 1.687 12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.971 3.430 14.157 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.241 3.988 12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.098 5.475 13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.435 4.727 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.348 4.699 13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.863 3.127 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.481 3.752 14.422 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.950 0.692 10.842 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.900 -0.336 10.712 1.00 0.00 C ATOM 1515 C GLN A 99 -3.642 -0.002 11.543 1.00 0.00 C ATOM 1516 O GLN A 99 -3.306 1.166 11.771 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.517 -0.593 9.221 1.00 0.00 C ATOM 1518 CG GLN A 99 -3.830 0.567 8.472 1.00 0.00 C ATOM 1519 CD GLN A 99 -4.767 1.706 8.067 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -4.996 2.645 8.827 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -5.313 1.629 6.861 1.00 0.00 N ATOM 0 H GLN A 99 -6.072 1.258 10.002 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.327 -1.254 11.116 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.857 -1.460 9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.424 -0.859 8.678 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.039 0.972 9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.352 0.171 7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.102 0.836 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.944 2.363 6.539 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.957 -1.068 11.944 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.779 -1.043 12.836 1.00 0.00 C ATOM 1532 C TYR A 100 -0.574 -1.621 12.090 1.00 0.00 C ATOM 1533 O TYR A 100 -0.746 -2.541 11.298 1.00 0.00 O ATOM 1534 CB TYR A 100 -2.074 -1.921 14.088 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.621 -3.326 13.736 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -1.764 -4.390 13.419 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -3.993 -3.566 13.684 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -2.250 -5.628 13.069 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -4.487 -4.811 13.342 1.00 0.00 C ATOM 1540 CZ TYR A 100 -3.612 -5.838 13.031 1.00 0.00 C ATOM 1541 OH TYR A 100 -4.100 -7.079 12.686 1.00 0.00 O ATOM 0 H TYR A 100 -3.208 -2.013 11.652 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.566 -0.019 13.143 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.159 -2.030 14.670 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.796 -1.406 14.722 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -0.696 -4.233 13.451 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -4.681 -2.766 13.915 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -1.569 -6.430 12.826 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -5.553 -4.982 13.317 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.080 -7.063 12.707 1.00 0.00 H new ATOM 1551 N HIS A 101 0.633 -1.106 12.352 1.00 0.00 N ATOM 1552 CA HIS A 101 1.888 -1.735 11.891 1.00 0.00 C ATOM 1553 C HIS A 101 2.493 -2.513 13.067 1.00 0.00 C ATOM 1554 O HIS A 101 3.028 -1.922 14.010 1.00 0.00 O ATOM 1555 CB HIS A 101 2.861 -0.673 11.279 1.00 0.00 C ATOM 1556 CG HIS A 101 4.253 -1.172 10.923 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.645 -1.650 9.645 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.325 -1.272 11.761 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.912 -1.997 9.817 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.349 -1.788 11.054 1.00 0.00 N ATOM 0 H HIS A 101 0.773 -0.248 12.885 1.00 0.00 H new ATOM 0 HA HIS A 101 1.692 -2.438 11.082 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.402 -0.264 10.379 1.00 0.00 H new ATOM 0 HB3 HIS A 101 2.961 0.150 11.987 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.348 -0.989 12.803 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.528 -2.408 9.031 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.287 -1.982 11.404 1.00 0.00 H new ATOM 1568 N CYS A 102 2.322 -3.850 13.018 1.00 0.00 N ATOM 1569 CA CYS A 102 2.912 -4.775 13.987 1.00 0.00 C ATOM 1570 C CYS A 102 4.427 -4.806 13.752 1.00 0.00 C ATOM 1571 O CYS A 102 4.871 -5.273 12.697 1.00 0.00 O ATOM 1572 CB CYS A 102 2.318 -6.184 13.817 1.00 0.00 C ATOM 1573 SG CYS A 102 2.700 -7.316 15.189 1.00 0.00 S ATOM 0 H CYS A 102 1.767 -4.313 12.299 1.00 0.00 H new ATOM 0 HA CYS A 102 2.694 -4.442 15.002 1.00 0.00 H new ATOM 0 HB2 CYS A 102 1.236 -6.102 13.718 1.00 0.00 H new ATOM 0 HB3 CYS A 102 2.692 -6.615 12.888 1.00 0.00 H new ATOM 0 HG CYS A 102 3.969 -7.597 15.179 1.00 0.00 H new ATOM 1578 N GLU A 103 5.198 -4.282 14.714 1.00 0.00 N ATOM 1579 CA GLU A 103 6.631 -3.985 14.528 1.00 0.00 C ATOM 1580 C GLU A 103 7.504 -5.252 14.453 1.00 0.00 C ATOM 1581 O GLU A 103 8.453 -5.292 13.666 1.00 0.00 O ATOM 1582 CB GLU A 103 7.125 -3.035 15.650 1.00 0.00 C ATOM 1583 CG GLU A 103 6.363 -1.694 15.702 1.00 0.00 C ATOM 1584 CD GLU A 103 6.922 -0.710 16.745 1.00 0.00 C ATOM 1585 OE1 GLU A 103 7.895 0.011 16.436 1.00 0.00 O ATOM 1586 OE2 GLU A 103 6.396 -0.653 17.874 1.00 0.00 O ATOM 0 H GLU A 103 4.849 -4.051 15.644 1.00 0.00 H new ATOM 0 HA GLU A 103 6.735 -3.489 13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.024 -3.538 16.612 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.187 -2.835 15.504 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.398 -1.227 14.718 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.314 -1.890 15.924 1.00 0.00 H new ATOM 1593 N ASN A 104 7.166 -6.296 15.239 1.00 0.00 N ATOM 1594 CA ASN A 104 7.994 -7.532 15.291 1.00 0.00 C ATOM 1595 C ASN A 104 7.811 -8.391 14.018 1.00 0.00 C ATOM 1596 O ASN A 104 8.729 -9.097 13.590 1.00 0.00 O ATOM 1597 CB ASN A 104 7.709 -8.356 16.567 1.00 0.00 C ATOM 1598 CG ASN A 104 6.383 -9.110 16.557 1.00 0.00 C ATOM 1599 OD1 ASN A 104 5.354 -8.631 16.059 1.00 0.00 O ATOM 1600 ND2 ASN A 104 6.409 -10.312 17.077 1.00 0.00 N ATOM 0 H ASN A 104 6.341 -6.315 15.839 1.00 0.00 H new ATOM 0 HA ASN A 104 9.037 -7.218 15.330 1.00 0.00 H new ATOM 0 HB2 ASN A 104 8.518 -9.073 16.708 1.00 0.00 H new ATOM 0 HB3 ASN A 104 7.724 -7.686 17.426 1.00 0.00 H new ATOM 0 HD21 ASN A 104 5.565 -10.885 17.080 1.00 0.00 H new ATOM 0 HD22 ASN A 104 7.273 -10.675 17.479 1.00 0.00 H new ATOM 1607 N CYS A 105 6.599 -8.324 13.438 1.00 0.00 N ATOM 1608 CA CYS A 105 6.273 -8.947 12.136 1.00 0.00 C ATOM 1609 C CYS A 105 6.735 -8.041 10.978 1.00 0.00 C ATOM 1610 O CYS A 105 7.048 -8.517 9.883 1.00 0.00 O ATOM 1611 CB CYS A 105 4.759 -9.231 12.059 1.00 0.00 C ATOM 1612 SG CYS A 105 4.177 -10.338 13.384 1.00 0.00 S ATOM 0 H CYS A 105 5.811 -7.833 13.860 1.00 0.00 H new ATOM 0 HA CYS A 105 6.803 -9.895 12.046 1.00 0.00 H new ATOM 0 HB2 CYS A 105 4.214 -8.288 12.115 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.527 -9.677 11.092 1.00 0.00 H new ATOM 0 HG CYS A 105 4.553 -9.870 14.537 1.00 0.00 H new ATOM 1617 N GLY A 106 6.764 -6.720 11.250 1.00 0.00 N ATOM 1618 CA GLY A 106 7.300 -5.717 10.317 1.00 0.00 C ATOM 1619 C GLY A 106 6.333 -5.329 9.208 1.00 0.00 C ATOM 1620 O GLY A 106 6.751 -4.805 8.167 1.00 0.00 O ATOM 0 H GLY A 106 6.416 -6.323 12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.573 -4.823 10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.215 -6.104 9.869 1.00 0.00 H new ATOM 1624 N ILE A 107 5.025 -5.549 9.438 1.00 0.00 N ATOM 1625 CA ILE A 107 3.959 -5.293 8.435 1.00 0.00 C ATOM 1626 C ILE A 107 2.751 -4.622 9.102 1.00 0.00 C ATOM 1627 O ILE A 107 2.525 -4.795 10.306 1.00 0.00 O ATOM 1628 CB ILE A 107 3.485 -6.629 7.724 1.00 0.00 C ATOM 1629 CG1 ILE A 107 3.043 -7.699 8.791 1.00 0.00 C ATOM 1630 CG2 ILE A 107 4.586 -7.185 6.779 1.00 0.00 C ATOM 1631 CD1 ILE A 107 2.492 -8.996 8.216 1.00 0.00 C ATOM 0 H ILE A 107 4.671 -5.910 10.324 1.00 0.00 H new ATOM 0 HA ILE A 107 4.381 -4.632 7.678 1.00 0.00 H new ATOM 0 HB ILE A 107 2.618 -6.396 7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.900 -7.935 9.422 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.285 -7.255 9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.231 -8.101 6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.814 -6.445 6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.486 -7.399 7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.216 -9.667 9.030 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.612 -8.780 7.610 1.00 0.00 H new ATOM 0 HD13 ILE A 107 3.252 -9.471 7.596 1.00 0.00 H new ATOM 1643 N CYS A 108 1.979 -3.838 8.313 1.00 0.00 N ATOM 1644 CA CYS A 108 0.666 -3.323 8.746 1.00 0.00 C ATOM 1645 C CYS A 108 -0.465 -4.029 7.999 1.00 0.00 C ATOM 1646 O CYS A 108 -0.332 -4.356 6.815 1.00 0.00 O ATOM 1647 CB CYS A 108 0.538 -1.769 8.636 1.00 0.00 C ATOM 1648 SG CYS A 108 1.600 -0.954 7.445 1.00 0.00 S ATOM 0 H CYS A 108 2.247 -3.550 7.372 1.00 0.00 H new ATOM 0 HA CYS A 108 0.581 -3.551 9.808 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.496 -1.530 8.389 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.738 -1.341 9.618 1.00 0.00 H new ATOM 0 HG CYS A 108 2.666 -1.673 7.250 1.00 0.00 H new ATOM 1653 N ARG A 109 -1.579 -4.238 8.718 1.00 0.00 N ATOM 1654 CA ARG A 109 -2.723 -5.034 8.254 1.00 0.00 C ATOM 1655 C ARG A 109 -4.010 -4.369 8.783 1.00 0.00 C ATOM 1656 O ARG A 109 -4.013 -3.838 9.907 1.00 0.00 O ATOM 1657 CB ARG A 109 -2.550 -6.504 8.772 1.00 0.00 C ATOM 1658 CG ARG A 109 -3.438 -7.597 8.106 1.00 0.00 C ATOM 1659 CD ARG A 109 -4.852 -7.714 8.705 1.00 0.00 C ATOM 1660 NE ARG A 109 -5.622 -8.794 8.065 1.00 0.00 N ATOM 1661 CZ ARG A 109 -6.859 -9.184 8.416 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -7.533 -8.562 9.375 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -7.430 -10.188 7.765 1.00 0.00 N ATOM 0 H ARG A 109 -1.711 -3.852 9.653 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.783 -5.073 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.506 -6.789 8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.750 -6.511 9.843 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.524 -7.380 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -2.937 -8.561 8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.780 -7.903 9.776 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.379 -6.768 8.583 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.179 -9.288 7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.113 -7.770 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.471 -8.875 9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.931 -10.654 7.008 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.369 -10.494 8.021 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.083 -4.401 7.963 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.360 -3.726 8.266 1.00 0.00 C ATOM 1679 C ILE A 110 -7.058 -4.412 9.470 1.00 0.00 C ATOM 1680 O ILE A 110 -7.313 -5.622 9.452 1.00 0.00 O ATOM 1681 CB ILE A 110 -7.317 -3.697 7.004 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -6.586 -3.088 5.750 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -8.635 -2.924 7.308 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -6.149 -1.629 5.887 1.00 0.00 C ATOM 0 H ILE A 110 -5.086 -4.897 7.072 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.139 -2.692 8.531 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.582 -4.728 6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.706 -3.694 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.249 -3.171 4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.269 -2.923 6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.161 -3.410 8.130 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.399 -1.897 7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -5.656 -1.309 4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.023 -1.003 6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.456 -1.534 6.723 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.336 -3.612 10.504 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.860 -4.090 11.778 1.00 0.00 C ATOM 1698 C GLY A 111 -7.764 -2.983 12.794 1.00 0.00 C ATOM 1699 O GLY A 111 -6.765 -2.263 12.762 1.00 0.00 O ATOM 0 H GLY A 111 -7.200 -2.602 10.475 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.897 -4.407 11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.296 -4.960 12.115 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.750 -2.812 13.726 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.741 -1.678 14.652 1.00 0.00 C ATOM 1705 C PRO A 112 -7.590 -1.825 15.667 1.00 0.00 C ATOM 1706 O PRO A 112 -7.531 -2.795 16.432 1.00 0.00 O ATOM 1707 CB PRO A 112 -10.146 -1.705 15.286 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.563 -3.146 15.220 1.00 0.00 C ATOM 1709 CD PRO A 112 -9.890 -3.729 13.986 1.00 0.00 C ATOM 0 HA PRO A 112 -8.555 -0.714 14.177 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.124 -1.345 16.315 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.840 -1.066 14.740 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.257 -3.681 16.119 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.647 -3.234 15.150 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.549 -4.749 14.163 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.574 -3.764 13.138 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.656 -0.870 15.604 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.398 -0.892 16.367 1.00 0.00 C ATOM 1719 C LYS A 113 -5.648 -0.815 17.897 1.00 0.00 C ATOM 1720 O LYS A 113 -4.825 -1.265 18.701 1.00 0.00 O ATOM 1721 CB LYS A 113 -4.472 0.260 15.881 1.00 0.00 C ATOM 1722 CG LYS A 113 -4.945 1.689 16.248 1.00 0.00 C ATOM 1723 CD LYS A 113 -4.175 2.811 15.496 1.00 0.00 C ATOM 1724 CE LYS A 113 -4.677 3.027 14.054 1.00 0.00 C ATOM 1725 NZ LYS A 113 -4.052 4.208 13.395 1.00 0.00 N ATOM 0 H LYS A 113 -6.752 -0.045 15.012 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.900 -1.844 16.184 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.477 0.106 16.299 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.376 0.194 14.797 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.009 1.779 16.027 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.829 1.837 17.322 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.271 3.744 16.051 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.114 2.562 15.472 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.468 2.135 13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.759 3.154 14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.650 4.521 12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.957 4.981 14.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.111 3.948 13.036 1.00 0.00 H new ATOM 1739 N GLU A 114 -6.795 -0.222 18.271 1.00 0.00 N ATOM 1740 CA GLU A 114 -7.296 -0.183 19.665 1.00 0.00 C ATOM 1741 C GLU A 114 -7.621 -1.607 20.187 1.00 0.00 C ATOM 1742 O GLU A 114 -7.381 -1.933 21.357 1.00 0.00 O ATOM 1743 CB GLU A 114 -8.555 0.728 19.720 1.00 0.00 C ATOM 1744 CG GLU A 114 -9.718 0.267 18.800 1.00 0.00 C ATOM 1745 CD GLU A 114 -10.817 1.324 18.625 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -10.587 2.296 17.880 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -11.901 1.199 19.233 1.00 0.00 O ATOM 0 H GLU A 114 -7.411 0.251 17.609 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.520 0.225 20.313 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.915 0.769 20.748 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.268 1.742 19.442 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.315 0.008 17.821 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.160 -0.640 19.213 1.00 0.00 H new ATOM 1754 N ASP A 115 -8.140 -2.447 19.278 1.00 0.00 N ATOM 1755 CA ASP A 115 -8.583 -3.826 19.564 1.00 0.00 C ATOM 1756 C ASP A 115 -7.474 -4.836 19.164 1.00 0.00 C ATOM 1757 O ASP A 115 -7.659 -6.044 19.240 1.00 0.00 O ATOM 1758 CB ASP A 115 -9.912 -4.062 18.778 1.00 0.00 C ATOM 1759 CG ASP A 115 -10.669 -5.353 19.137 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -11.343 -5.385 20.187 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -10.613 -6.336 18.365 1.00 0.00 O ATOM 0 H ASP A 115 -8.267 -2.183 18.301 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.765 -3.974 20.628 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.573 -3.213 18.952 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -9.686 -4.078 17.712 1.00 0.00 H new ATOM 1766 N PHE A 116 -6.302 -4.317 18.770 1.00 0.00 N ATOM 1767 CA PHE A 116 -5.158 -5.135 18.320 1.00 0.00 C ATOM 1768 C PHE A 116 -4.291 -5.589 19.510 1.00 0.00 C ATOM 1769 O PHE A 116 -4.114 -4.858 20.487 1.00 0.00 O ATOM 1770 CB PHE A 116 -4.307 -4.315 17.300 1.00 0.00 C ATOM 1771 CG PHE A 116 -2.859 -4.787 17.075 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -2.582 -6.058 16.571 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -1.777 -3.952 17.379 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -1.277 -6.473 16.383 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -0.476 -4.372 17.187 1.00 0.00 C ATOM 1776 CZ PHE A 116 -0.228 -5.633 16.688 1.00 0.00 C ATOM 0 H PHE A 116 -6.117 -3.314 18.753 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.539 -6.033 17.835 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -4.822 -4.326 16.340 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -4.279 -3.278 17.635 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.395 -6.724 16.325 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.963 -2.963 17.770 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -1.078 -7.461 15.995 1.00 0.00 H new ATOM 0 HE2 PHE A 116 0.346 -3.714 17.427 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.789 -5.963 16.536 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.777 -6.821 19.393 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.649 -7.318 20.185 1.00 0.00 C ATOM 1788 C PHE A 117 -1.930 -8.406 19.356 1.00 0.00 C ATOM 1789 O PHE A 117 -2.586 -9.265 18.746 1.00 0.00 O ATOM 1790 CB PHE A 117 -3.112 -7.864 21.574 1.00 0.00 C ATOM 1791 CG PHE A 117 -3.940 -9.152 21.521 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -5.299 -9.124 21.208 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.346 -10.395 21.767 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -6.031 -10.290 21.145 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -4.083 -11.556 21.704 1.00 0.00 C ATOM 1796 CZ PHE A 117 -5.426 -11.504 21.394 1.00 0.00 C ATOM 0 H PHE A 117 -4.141 -7.509 18.734 1.00 0.00 H new ATOM 0 HA PHE A 117 -1.961 -6.500 20.400 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.230 -8.042 22.190 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.699 -7.093 22.073 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -5.783 -8.178 21.013 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.295 -10.444 22.010 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.082 -10.253 20.900 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.610 -12.507 21.897 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.004 -12.415 21.346 1.00 0.00 H new ATOM 1806 N HIS A 118 -0.591 -8.336 19.265 1.00 0.00 N ATOM 1807 CA HIS A 118 0.214 -9.454 18.736 1.00 0.00 C ATOM 1808 C HIS A 118 0.372 -10.491 19.867 1.00 0.00 C ATOM 1809 O HIS A 118 0.539 -10.116 21.032 1.00 0.00 O ATOM 1810 CB HIS A 118 1.596 -8.954 18.188 1.00 0.00 C ATOM 1811 CG HIS A 118 2.541 -10.075 17.785 1.00 0.00 C ATOM 1812 ND1 HIS A 118 2.486 -10.672 16.528 1.00 0.00 N ATOM 1813 CD2 HIS A 118 3.424 -10.742 18.562 1.00 0.00 C ATOM 1814 CE1 HIS A 118 3.295 -11.717 16.639 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.881 -11.792 17.838 1.00 0.00 N ATOM 0 H HIS A 118 -0.044 -7.523 19.549 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.288 -9.917 17.886 1.00 0.00 H new ATOM 0 HB2 HIS A 118 1.422 -8.311 17.325 1.00 0.00 H new ATOM 0 HB3 HIS A 118 2.078 -8.342 18.950 1.00 0.00 H new ATOM 0 HD1 HIS A 118 1.949 -10.375 15.713 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.711 -10.486 19.571 1.00 0.00 H new ATOM 0 HE1 HIS A 118 3.462 -12.431 15.846 1.00 0.00 H new ATOM 1823 N CYS A 119 0.298 -11.783 19.524 1.00 0.00 N ATOM 1824 CA CYS A 119 0.409 -12.887 20.499 1.00 0.00 C ATOM 1825 C CYS A 119 1.792 -13.550 20.363 1.00 0.00 C ATOM 1826 O CYS A 119 2.164 -13.976 19.265 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.722 -13.904 20.255 1.00 0.00 C ATOM 1828 SG CYS A 119 -0.832 -15.268 21.458 1.00 0.00 S ATOM 0 H CYS A 119 0.160 -12.098 18.564 1.00 0.00 H new ATOM 0 HA CYS A 119 0.310 -12.503 21.514 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -1.672 -13.369 20.252 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.593 -14.331 19.260 1.00 0.00 H new ATOM 0 HG CYS A 119 -0.060 -16.243 21.080 1.00 0.00 H new ATOM 1833 N LEU A 120 2.562 -13.586 21.473 1.00 0.00 N ATOM 1834 CA LEU A 120 3.927 -14.166 21.495 1.00 0.00 C ATOM 1835 C LEU A 120 3.875 -15.705 21.390 1.00 0.00 C ATOM 1836 O LEU A 120 4.696 -16.321 20.704 1.00 0.00 O ATOM 1837 CB LEU A 120 4.736 -13.726 22.768 1.00 0.00 C ATOM 1838 CG LEU A 120 4.329 -14.327 24.172 1.00 0.00 C ATOM 1839 CD1 LEU A 120 5.393 -14.003 25.248 1.00 0.00 C ATOM 1840 CD2 LEU A 120 2.934 -13.845 24.637 1.00 0.00 C ATOM 0 H LEU A 120 2.259 -13.217 22.374 1.00 0.00 H new ATOM 0 HA LEU A 120 4.453 -13.775 20.624 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.784 -13.972 22.595 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.671 -12.640 22.842 1.00 0.00 H new ATOM 0 HG LEU A 120 4.277 -15.408 24.043 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.086 -14.429 26.203 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.351 -14.429 24.952 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.492 -12.922 25.348 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.701 -14.286 25.606 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.935 -12.758 24.723 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.182 -14.151 23.909 1.00 0.00 H new ATOM 1852 N LYS A 121 2.881 -16.308 22.071 1.00 0.00 N ATOM 1853 CA LYS A 121 2.666 -17.764 22.078 1.00 0.00 C ATOM 1854 C LYS A 121 1.529 -18.081 21.096 1.00 0.00 C ATOM 1855 O LYS A 121 0.381 -17.706 21.345 1.00 0.00 O ATOM 1856 CB LYS A 121 2.334 -18.232 23.516 1.00 0.00 C ATOM 1857 CG LYS A 121 2.359 -19.761 23.729 1.00 0.00 C ATOM 1858 CD LYS A 121 3.742 -20.390 23.452 1.00 0.00 C ATOM 1859 CE LYS A 121 3.806 -21.877 23.834 1.00 0.00 C ATOM 1860 NZ LYS A 121 2.818 -22.699 23.094 1.00 0.00 N ATOM 0 H LYS A 121 2.203 -15.794 22.634 1.00 0.00 H new ATOM 0 HA LYS A 121 3.563 -18.297 21.763 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.044 -17.773 24.204 1.00 0.00 H new ATOM 0 HB3 LYS A 121 1.345 -17.860 23.784 1.00 0.00 H new ATOM 0 HG2 LYS A 121 2.064 -19.984 24.755 1.00 0.00 H new ATOM 0 HG3 LYS A 121 1.619 -20.225 23.077 1.00 0.00 H new ATOM 0 HD2 LYS A 121 3.981 -20.281 22.394 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.503 -19.843 24.009 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.809 -22.256 23.637 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.631 -21.981 24.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.903 -23.693 23.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.858 -22.357 23.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.999 -22.624 22.073 1.00 0.00 H new ATOM 1874 N CYS A 122 1.863 -18.807 20.016 1.00 0.00 N ATOM 1875 CA CYS A 122 1.097 -18.825 18.752 1.00 0.00 C ATOM 1876 C CYS A 122 1.262 -17.423 18.110 1.00 0.00 C ATOM 1877 O CYS A 122 0.585 -16.452 18.471 1.00 0.00 O ATOM 1878 CB CYS A 122 -0.398 -19.293 18.918 1.00 0.00 C ATOM 1879 SG CYS A 122 -1.696 -18.004 18.854 1.00 0.00 S ATOM 0 H CYS A 122 2.686 -19.409 19.993 1.00 0.00 H new ATOM 0 HA CYS A 122 1.495 -19.586 18.081 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -0.611 -20.024 18.138 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -0.485 -19.811 19.873 1.00 0.00 H new ATOM 0 HG CYS A 122 -1.145 -16.843 18.661 1.00 0.00 H new ATOM 1884 N ASN A 123 2.230 -17.342 17.179 1.00 0.00 N ATOM 1885 CA ASN A 123 2.906 -16.087 16.769 1.00 0.00 C ATOM 1886 C ASN A 123 2.104 -15.240 15.748 1.00 0.00 C ATOM 1887 O ASN A 123 2.703 -14.509 14.950 1.00 0.00 O ATOM 1888 CB ASN A 123 4.312 -16.447 16.189 1.00 0.00 C ATOM 1889 CG ASN A 123 5.259 -17.150 17.180 1.00 0.00 C ATOM 1890 OD1 ASN A 123 4.834 -17.858 18.094 1.00 0.00 O ATOM 1891 ND2 ASN A 123 6.558 -16.975 16.990 1.00 0.00 N ATOM 0 H ASN A 123 2.575 -18.161 16.678 1.00 0.00 H new ATOM 0 HA ASN A 123 2.993 -15.462 17.658 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.177 -17.090 15.319 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.790 -15.532 15.838 1.00 0.00 H new ATOM 0 HD21 ASN A 123 7.230 -17.431 17.607 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.887 -16.384 16.226 1.00 0.00 H new ATOM 1898 N LEU A 124 0.765 -15.309 15.789 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.117 -14.501 14.918 1.00 0.00 C ATOM 1900 C LEU A 124 -0.544 -13.203 15.657 1.00 0.00 C ATOM 1901 O LEU A 124 -0.447 -13.119 16.888 1.00 0.00 O ATOM 1902 CB LEU A 124 -1.350 -15.357 14.498 1.00 0.00 C ATOM 1903 CG LEU A 124 -2.304 -14.749 13.413 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -1.543 -14.413 12.108 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -3.493 -15.696 13.122 1.00 0.00 C ATOM 0 H LEU A 124 0.258 -15.925 16.425 1.00 0.00 H new ATOM 0 HA LEU A 124 0.417 -14.206 14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.986 -16.316 14.130 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.940 -15.561 15.391 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.699 -13.817 13.817 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.237 -13.994 11.380 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.758 -13.687 12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.097 -15.321 11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.138 -15.248 12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.116 -16.652 12.758 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.063 -15.856 14.037 1.00 0.00 H new ATOM 1917 N CYS A 125 -0.973 -12.175 14.896 1.00 0.00 N ATOM 1918 CA CYS A 125 -1.574 -10.946 15.459 1.00 0.00 C ATOM 1919 C CYS A 125 -3.106 -11.122 15.447 1.00 0.00 C ATOM 1920 O CYS A 125 -3.687 -11.359 14.380 1.00 0.00 O ATOM 1921 CB CYS A 125 -1.170 -9.703 14.622 1.00 0.00 C ATOM 1922 SG CYS A 125 0.350 -9.913 13.649 1.00 0.00 S ATOM 0 H CYS A 125 -0.913 -12.172 13.878 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.216 -10.788 16.476 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.988 -9.454 13.946 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -1.042 -8.854 15.294 1.00 0.00 H new ATOM 0 HG CYS A 125 1.253 -9.078 14.069 1.00 0.00 H new ATOM 1927 N LEU A 126 -3.751 -11.027 16.621 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.206 -11.262 16.758 1.00 0.00 C ATOM 1929 C LEU A 126 -5.932 -9.974 17.157 1.00 0.00 C ATOM 1930 O LEU A 126 -5.321 -9.018 17.659 1.00 0.00 O ATOM 1931 CB LEU A 126 -5.514 -12.369 17.816 1.00 0.00 C ATOM 1932 CG LEU A 126 -4.945 -13.805 17.552 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -5.287 -14.324 16.147 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -3.433 -13.904 17.838 1.00 0.00 C ATOM 0 H LEU A 126 -3.288 -10.788 17.498 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.565 -11.597 15.785 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.133 -12.029 18.779 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.597 -12.449 17.912 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.447 -14.459 18.265 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.869 -15.322 16.016 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.370 -14.365 16.028 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.865 -13.653 15.399 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.091 -14.920 17.639 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.895 -13.207 17.195 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.243 -13.655 18.882 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.250 -9.980 16.924 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.164 -8.967 17.448 1.00 0.00 C ATOM 1948 C ALA A 127 -8.617 -9.395 18.857 1.00 0.00 C ATOM 1949 O ALA A 127 -8.650 -10.592 19.171 1.00 0.00 O ATOM 1950 CB ALA A 127 -9.361 -8.794 16.495 1.00 0.00 C ATOM 0 H ALA A 127 -7.712 -10.695 16.362 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.663 -8.002 17.519 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.037 -8.037 16.893 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.003 -8.481 15.514 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -9.892 -9.741 16.402 1.00 0.00 H new ATOM 1956 N MET A 128 -8.967 -8.413 19.685 1.00 0.00 N ATOM 1957 CA MET A 128 -9.348 -8.615 21.097 1.00 0.00 C ATOM 1958 C MET A 128 -10.809 -9.098 21.173 1.00 0.00 C ATOM 1959 O MET A 128 -11.227 -9.723 22.148 1.00 0.00 O ATOM 1960 CB MET A 128 -9.130 -7.277 21.854 1.00 0.00 C ATOM 1961 CG MET A 128 -9.199 -7.335 23.380 1.00 0.00 C ATOM 1962 SD MET A 128 -8.920 -5.716 24.145 1.00 0.00 S ATOM 1963 CE MET A 128 -7.345 -5.218 23.435 1.00 0.00 C ATOM 0 H MET A 128 -8.997 -7.435 19.397 1.00 0.00 H new ATOM 0 HA MET A 128 -8.732 -9.382 21.567 1.00 0.00 H new ATOM 0 HB2 MET A 128 -8.154 -6.881 21.572 1.00 0.00 H new ATOM 0 HB3 MET A 128 -9.877 -6.563 21.506 1.00 0.00 H new ATOM 0 HG2 MET A 128 -10.175 -7.714 23.683 1.00 0.00 H new ATOM 0 HG3 MET A 128 -8.455 -8.041 23.748 1.00 0.00 H new ATOM 0 HE1 MET A 128 -6.819 -4.570 24.136 1.00 0.00 H new ATOM 0 HE2 MET A 128 -6.740 -6.102 23.235 1.00 0.00 H new ATOM 0 HE3 MET A 128 -7.520 -4.679 22.504 1.00 0.00 H new