USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 959 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 99 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 101 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00627) USER MOD Set 2.1: A 52 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 44 CYS SG : rot 170:sc= -0.558 USER MOD Set 3.2: A 60 MET CE :methyl -159:sc= -0.0841 (180deg=-0.449) USER MOD Single : A 13 THR OG1 : rot 74:sc= 0.353 USER MOD Single : A 17 THR OG1 : rot 71:sc= 0.16 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.452 K(o=0.45,f=-6.9!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 39 CYS SG : rot 10:sc= 0.208 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.338 K(o=-0.34,f=-3.2!) USER MOD Single : A 49 CYS SG : rot 53:sc= 0.694 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 64 CYS SG : rot 95:sc= -1.78 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -141:sc= 0.0692 USER MOD Single : A 70 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD Single : A 74 THR OG1 : rot -93:sc= 1.42 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0.44 K(o=0.44,f=-0.14) USER MOD Single : A 84 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.043) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -100:sc= 0.722 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot -165:sc= -0.0712 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 124 MET CE :methyl -112:sc=-0.00013 (180deg=-0.109) USER MOD Single : A 128 ASN : amide:sc= 0.997 K(o=1,f=-0.12) USER MOD Single : A 133 MET CE :methyl -123:sc= 0 (180deg=-0.0167) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 191 N THR A 13 -7.116 10.925 -15.725 1.00 0.00 N ATOM 192 CA THR A 13 -6.428 9.807 -15.031 1.00 0.00 C ATOM 193 C THR A 13 -5.402 9.052 -15.893 1.00 0.00 C ATOM 194 O THR A 13 -4.336 8.685 -15.396 1.00 0.00 O ATOM 195 CB THR A 13 -7.473 8.865 -14.408 1.00 0.00 C ATOM 196 OG1 THR A 13 -6.852 7.728 -13.868 1.00 0.00 O ATOM 197 CG2 THR A 13 -8.534 8.398 -15.404 1.00 0.00 C ATOM 0 HA THR A 13 -5.824 10.252 -14.240 1.00 0.00 H new ATOM 0 HB THR A 13 -7.968 9.447 -13.631 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.390 7.971 -13.038 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.240 7.737 -14.901 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.066 9.263 -15.801 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.054 7.861 -16.222 1.00 0.00 H new ATOM 205 N PHE A 14 -5.665 8.889 -17.194 1.00 0.00 N ATOM 206 CA PHE A 14 -4.734 8.246 -18.127 1.00 0.00 C ATOM 207 C PHE A 14 -3.442 9.063 -18.289 1.00 0.00 C ATOM 208 O PHE A 14 -2.347 8.537 -18.098 1.00 0.00 O ATOM 209 CB PHE A 14 -5.444 8.036 -19.471 1.00 0.00 C ATOM 210 CG PHE A 14 -4.833 6.922 -20.303 1.00 0.00 C ATOM 211 CD1 PHE A 14 -3.697 7.169 -21.101 1.00 0.00 C ATOM 212 CD2 PHE A 14 -5.388 5.628 -20.263 1.00 0.00 C ATOM 213 CE1 PHE A 14 -3.125 6.129 -21.854 1.00 0.00 C ATOM 214 CE2 PHE A 14 -4.815 4.589 -21.019 1.00 0.00 C ATOM 215 CZ PHE A 14 -3.683 4.839 -21.815 1.00 0.00 C ATOM 0 H PHE A 14 -6.533 9.200 -17.631 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.435 7.278 -17.726 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.494 7.810 -19.288 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.412 8.965 -20.040 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.266 8.159 -21.134 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.256 5.433 -19.650 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.255 6.321 -22.464 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.245 3.599 -20.988 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.243 4.042 -22.395 1.00 0.00 H new ATOM 225 N LEU A 15 -3.576 10.367 -18.571 1.00 0.00 N ATOM 226 CA LEU A 15 -2.480 11.341 -18.608 1.00 0.00 C ATOM 227 C LEU A 15 -1.848 11.511 -17.221 1.00 0.00 C ATOM 228 O LEU A 15 -0.633 11.635 -17.111 1.00 0.00 O ATOM 229 CB LEU A 15 -3.038 12.671 -19.159 1.00 0.00 C ATOM 230 CG LEU A 15 -2.055 13.857 -19.101 1.00 0.00 C ATOM 231 CD1 LEU A 15 -0.824 13.640 -19.991 1.00 0.00 C ATOM 232 CD2 LEU A 15 -2.776 15.144 -19.525 1.00 0.00 C ATOM 0 H LEU A 15 -4.481 10.785 -18.787 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.683 10.989 -19.263 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.343 12.520 -20.195 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.935 12.933 -18.598 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.704 13.940 -18.072 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.163 14.503 -19.915 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.292 12.746 -19.665 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.141 13.516 -21.027 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.080 15.982 -19.483 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.150 15.033 -20.543 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.611 15.332 -18.850 1.00 0.00 H new ATOM 244 N ASP A 16 -2.646 11.452 -16.157 1.00 0.00 N ATOM 245 CA ASP A 16 -2.193 11.572 -14.765 1.00 0.00 C ATOM 246 C ASP A 16 -1.172 10.489 -14.378 1.00 0.00 C ATOM 247 O ASP A 16 -0.280 10.733 -13.563 1.00 0.00 O ATOM 248 CB ASP A 16 -3.412 11.530 -13.832 1.00 0.00 C ATOM 249 CG ASP A 16 -3.212 12.452 -12.619 1.00 0.00 C ATOM 250 OD1 ASP A 16 -3.366 13.687 -12.779 1.00 0.00 O ATOM 251 OD2 ASP A 16 -2.911 11.945 -11.512 1.00 0.00 O ATOM 0 H ASP A 16 -3.654 11.316 -16.237 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.678 12.527 -14.661 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.304 11.833 -14.380 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.579 10.508 -13.492 1.00 0.00 H new ATOM 256 N THR A 17 -1.265 9.322 -15.031 1.00 0.00 N ATOM 257 CA THR A 17 -0.303 8.217 -14.902 1.00 0.00 C ATOM 258 C THR A 17 0.997 8.538 -15.639 1.00 0.00 C ATOM 259 O THR A 17 2.068 8.171 -15.165 1.00 0.00 O ATOM 260 CB THR A 17 -0.930 6.903 -15.395 1.00 0.00 C ATOM 261 OG1 THR A 17 -2.075 6.618 -14.616 1.00 0.00 O ATOM 262 CG2 THR A 17 0.016 5.707 -15.252 1.00 0.00 C ATOM 0 H THR A 17 -2.027 9.115 -15.677 1.00 0.00 H new ATOM 0 HA THR A 17 -0.053 8.091 -13.849 1.00 0.00 H new ATOM 0 HB THR A 17 -1.166 7.043 -16.450 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.789 7.250 -14.841 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.479 4.806 -15.615 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.919 5.886 -15.836 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.282 5.577 -14.203 1.00 0.00 H new ATOM 270 N ILE A 18 0.929 9.271 -16.756 1.00 0.00 N ATOM 271 CA ILE A 18 2.104 9.725 -17.528 1.00 0.00 C ATOM 272 C ILE A 18 2.836 10.858 -16.803 1.00 0.00 C ATOM 273 O ILE A 18 4.063 10.893 -16.802 1.00 0.00 O ATOM 274 CB ILE A 18 1.709 10.169 -18.961 1.00 0.00 C ATOM 275 CG1 ILE A 18 0.699 9.230 -19.657 1.00 0.00 C ATOM 276 CG2 ILE A 18 2.959 10.355 -19.843 1.00 0.00 C ATOM 277 CD1 ILE A 18 1.120 7.761 -19.773 1.00 0.00 C ATOM 0 H ILE A 18 0.043 9.574 -17.161 1.00 0.00 H new ATOM 0 HA ILE A 18 2.781 8.875 -17.613 1.00 0.00 H new ATOM 0 HB ILE A 18 1.200 11.125 -18.838 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.244 9.275 -19.113 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.508 9.613 -20.659 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.656 10.666 -20.843 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.603 11.118 -19.405 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.503 9.413 -19.906 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.336 7.197 -20.277 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.044 7.692 -20.347 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.280 7.349 -18.777 1.00 0.00 H new ATOM 289 N ILE A 19 2.109 11.752 -16.127 1.00 0.00 N ATOM 290 CA ILE A 19 2.698 12.839 -15.323 1.00 0.00 C ATOM 291 C ILE A 19 3.644 12.275 -14.252 1.00 0.00 C ATOM 292 O ILE A 19 4.767 12.763 -14.123 1.00 0.00 O ATOM 293 CB ILE A 19 1.591 13.764 -14.760 1.00 0.00 C ATOM 294 CG1 ILE A 19 0.876 14.502 -15.921 1.00 0.00 C ATOM 295 CG2 ILE A 19 2.184 14.789 -13.773 1.00 0.00 C ATOM 296 CD1 ILE A 19 -0.421 15.202 -15.507 1.00 0.00 C ATOM 0 H ILE A 19 1.089 11.746 -16.119 1.00 0.00 H new ATOM 0 HA ILE A 19 3.317 13.468 -15.963 1.00 0.00 H new ATOM 0 HB ILE A 19 0.868 13.148 -14.225 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.557 15.241 -16.343 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.654 13.785 -16.712 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.388 15.428 -13.390 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.658 14.264 -12.944 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.926 15.401 -14.286 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.861 15.695 -16.374 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.122 14.466 -15.113 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.205 15.944 -14.739 1.00 0.00 H new ATOM 308 N ARG A 20 3.270 11.186 -13.564 1.00 0.00 N ATOM 309 CA ARG A 20 4.152 10.537 -12.573 1.00 0.00 C ATOM 310 C ARG A 20 5.466 10.001 -13.177 1.00 0.00 C ATOM 311 O ARG A 20 6.439 9.815 -12.444 1.00 0.00 O ATOM 312 CB ARG A 20 3.432 9.378 -11.861 1.00 0.00 C ATOM 313 CG ARG A 20 2.373 9.792 -10.818 1.00 0.00 C ATOM 314 CD ARG A 20 1.965 8.564 -9.977 1.00 0.00 C ATOM 315 NE ARG A 20 0.999 8.865 -8.897 1.00 0.00 N ATOM 316 CZ ARG A 20 1.260 9.339 -7.679 1.00 0.00 C ATOM 317 NH1 ARG A 20 2.439 9.807 -7.330 1.00 0.00 N ATOM 318 NH2 ARG A 20 0.317 9.339 -6.767 1.00 0.00 N ATOM 0 H ARG A 20 2.363 10.733 -13.673 1.00 0.00 H new ATOM 0 HA ARG A 20 4.405 11.322 -11.861 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.950 8.756 -12.615 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.180 8.758 -11.367 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.772 10.572 -10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.499 10.209 -11.318 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.533 7.812 -10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.860 8.125 -9.537 1.00 0.00 H new ATOM 0 HE ARG A 20 0.017 8.689 -9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.204 9.818 -8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.588 10.159 -6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.610 8.978 -6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.511 9.700 -5.833 1.00 0.00 H new ATOM 332 N LYS A 21 5.534 9.741 -14.489 1.00 0.00 N ATOM 333 CA LYS A 21 6.752 9.269 -15.170 1.00 0.00 C ATOM 334 C LYS A 21 7.775 10.401 -15.380 1.00 0.00 C ATOM 335 O LYS A 21 8.979 10.153 -15.266 1.00 0.00 O ATOM 336 CB LYS A 21 6.383 8.615 -16.515 1.00 0.00 C ATOM 337 CG LYS A 21 5.418 7.427 -16.357 1.00 0.00 C ATOM 338 CD LYS A 21 4.966 6.848 -17.702 1.00 0.00 C ATOM 339 CE LYS A 21 6.140 6.204 -18.455 1.00 0.00 C ATOM 340 NZ LYS A 21 5.696 5.518 -19.699 1.00 0.00 N ATOM 0 H LYS A 21 4.738 9.853 -15.116 1.00 0.00 H new ATOM 0 HA LYS A 21 7.225 8.527 -14.526 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.928 9.363 -17.164 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.293 8.275 -17.010 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.904 6.644 -15.774 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.543 7.748 -15.792 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.186 6.105 -17.537 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.529 7.638 -18.312 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.874 6.970 -18.706 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.638 5.486 -17.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.519 5.097 -20.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.015 4.769 -19.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.243 6.207 -20.333 1.00 0.00 H new ATOM 354 N PHE A 22 7.311 11.630 -15.657 1.00 0.00 N ATOM 355 CA PHE A 22 8.167 12.813 -15.812 1.00 0.00 C ATOM 356 C PHE A 22 8.286 13.688 -14.548 1.00 0.00 C ATOM 357 O PHE A 22 9.188 14.528 -14.490 1.00 0.00 O ATOM 358 CB PHE A 22 7.763 13.595 -17.072 1.00 0.00 C ATOM 359 CG PHE A 22 6.421 14.308 -17.095 1.00 0.00 C ATOM 360 CD1 PHE A 22 6.245 15.513 -16.386 1.00 0.00 C ATOM 361 CD2 PHE A 22 5.392 13.842 -17.938 1.00 0.00 C ATOM 362 CE1 PHE A 22 5.058 16.252 -16.530 1.00 0.00 C ATOM 363 CE2 PHE A 22 4.212 14.592 -18.096 1.00 0.00 C ATOM 364 CZ PHE A 22 4.049 15.802 -17.400 1.00 0.00 C ATOM 0 H PHE A 22 6.319 11.831 -15.781 1.00 0.00 H new ATOM 0 HA PHE A 22 9.187 12.454 -15.952 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.536 14.341 -17.259 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.781 12.900 -17.911 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.025 15.870 -15.730 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.510 12.906 -18.464 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.921 17.166 -15.972 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.431 14.238 -18.753 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.150 16.385 -17.533 1.00 0.00 H new ATOM 374 N GLU A 23 7.456 13.476 -13.517 1.00 0.00 N ATOM 375 CA GLU A 23 7.731 13.989 -12.164 1.00 0.00 C ATOM 376 C GLU A 23 9.004 13.357 -11.555 1.00 0.00 C ATOM 377 O GLU A 23 9.480 12.306 -11.994 1.00 0.00 O ATOM 378 CB GLU A 23 6.524 13.786 -11.228 1.00 0.00 C ATOM 379 CG GLU A 23 5.408 14.807 -11.480 1.00 0.00 C ATOM 380 CD GLU A 23 4.351 14.777 -10.363 1.00 0.00 C ATOM 381 OE1 GLU A 23 3.696 13.729 -10.158 1.00 0.00 O ATOM 382 OE2 GLU A 23 4.174 15.811 -9.675 1.00 0.00 O ATOM 0 H GLU A 23 6.585 12.951 -13.593 1.00 0.00 H new ATOM 0 HA GLU A 23 7.908 15.060 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.129 12.779 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.855 13.862 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.837 15.807 -11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.932 14.598 -12.438 1.00 0.00 H new ATOM 424 N ARG A 27 7.926 11.324 -3.746 1.00 0.00 N ATOM 425 CA ARG A 27 6.869 10.760 -2.890 1.00 0.00 C ATOM 426 C ARG A 27 7.157 9.288 -2.545 1.00 0.00 C ATOM 427 O ARG A 27 7.997 8.624 -3.152 1.00 0.00 O ATOM 428 CB ARG A 27 5.477 10.912 -3.545 1.00 0.00 C ATOM 429 CG ARG A 27 4.896 12.339 -3.563 1.00 0.00 C ATOM 430 CD ARG A 27 5.593 13.325 -4.512 1.00 0.00 C ATOM 431 NE ARG A 27 4.818 14.574 -4.633 1.00 0.00 N ATOM 432 CZ ARG A 27 5.079 15.599 -5.440 1.00 0.00 C ATOM 433 NH1 ARG A 27 6.137 15.625 -6.226 1.00 0.00 N ATOM 434 NH2 ARG A 27 4.265 16.632 -5.464 1.00 0.00 N ATOM 0 HA ARG A 27 6.864 11.327 -1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.539 10.552 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.777 10.262 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.843 12.280 -3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.939 12.743 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.594 13.547 -4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.711 12.869 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 27 3.996 14.661 -4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.789 14.841 -6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.303 16.429 -6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.439 16.644 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.460 17.421 -6.081 1.00 0.00 H new ATOM 448 N LYS A 28 6.428 8.750 -1.563 1.00 0.00 N ATOM 449 CA LYS A 28 6.593 7.379 -1.069 1.00 0.00 C ATOM 450 C LYS A 28 5.747 6.400 -1.895 1.00 0.00 C ATOM 451 O LYS A 28 4.596 6.686 -2.218 1.00 0.00 O ATOM 452 CB LYS A 28 6.232 7.295 0.431 1.00 0.00 C ATOM 453 CG LYS A 28 6.849 8.409 1.293 1.00 0.00 C ATOM 454 CD LYS A 28 5.928 9.634 1.483 1.00 0.00 C ATOM 455 CE LYS A 28 6.802 10.826 1.892 1.00 0.00 C ATOM 456 NZ LYS A 28 6.070 12.128 1.919 1.00 0.00 N ATOM 0 H LYS A 28 5.692 9.265 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 28 7.640 7.096 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.147 7.330 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.558 6.329 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.101 8.001 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.782 8.736 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.391 9.854 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.178 9.432 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.222 10.635 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.640 10.905 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.722 12.887 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.691 12.333 0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.286 12.072 2.600 1.00 0.00 H new ATOM 470 N PHE A 29 6.295 5.223 -2.190 1.00 0.00 N ATOM 471 CA PHE A 29 5.615 4.148 -2.914 1.00 0.00 C ATOM 472 C PHE A 29 6.326 2.800 -2.783 1.00 0.00 C ATOM 473 O PHE A 29 7.505 2.731 -2.434 1.00 0.00 O ATOM 474 CB PHE A 29 5.407 4.529 -4.396 1.00 0.00 C ATOM 475 CG PHE A 29 6.675 4.784 -5.190 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.389 3.711 -5.757 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.136 6.102 -5.367 1.00 0.00 C ATOM 478 CE1 PHE A 29 8.566 3.955 -6.489 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.306 6.346 -6.105 1.00 0.00 C ATOM 480 CZ PHE A 29 9.022 5.274 -6.668 1.00 0.00 C ATOM 0 H PHE A 29 7.250 4.983 -1.925 1.00 0.00 H new ATOM 0 HA PHE A 29 4.638 4.025 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.849 3.730 -4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.786 5.424 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.033 2.699 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.589 6.927 -4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.119 3.130 -6.913 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.657 7.359 -6.240 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.920 5.463 -7.237 1.00 0.00 H new ATOM 490 N ILE A 30 5.602 1.731 -3.110 1.00 0.00 N ATOM 491 CA ILE A 30 6.099 0.349 -3.203 1.00 0.00 C ATOM 492 C ILE A 30 5.488 -0.363 -4.416 1.00 0.00 C ATOM 493 O ILE A 30 4.416 0.015 -4.881 1.00 0.00 O ATOM 494 CB ILE A 30 5.836 -0.422 -1.886 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.330 -0.605 -1.590 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.526 0.265 -0.697 1.00 0.00 C ATOM 497 CD1 ILE A 30 4.079 -1.308 -0.253 1.00 0.00 C ATOM 0 H ILE A 30 4.608 1.802 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 30 7.179 0.376 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 30 6.263 -1.415 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.843 0.370 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.872 -1.183 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.325 -0.297 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.601 0.301 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.142 1.279 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.006 -1.412 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.541 -2.295 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.511 -0.718 0.555 1.00 0.00 H new ATOM 509 N ILE A 31 6.164 -1.385 -4.938 1.00 0.00 N ATOM 510 CA ILE A 31 5.743 -2.191 -6.092 1.00 0.00 C ATOM 511 C ILE A 31 5.443 -3.608 -5.609 1.00 0.00 C ATOM 512 O ILE A 31 6.282 -4.238 -4.963 1.00 0.00 O ATOM 513 CB ILE A 31 6.835 -2.228 -7.189 1.00 0.00 C ATOM 514 CG1 ILE A 31 7.396 -0.816 -7.492 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.278 -2.909 -8.459 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.450 -0.768 -8.605 1.00 0.00 C ATOM 0 H ILE A 31 7.059 -1.690 -4.555 1.00 0.00 H new ATOM 0 HA ILE A 31 4.854 -1.740 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 31 7.674 -2.818 -6.820 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.568 -0.163 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.833 -0.410 -6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.050 -2.932 -9.228 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.972 -3.928 -8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.418 -2.348 -8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.784 0.260 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.301 -1.391 -8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.016 -1.139 -9.533 1.00 0.00 H new ATOM 528 N ALA A 32 4.279 -4.135 -5.969 1.00 0.00 N ATOM 529 CA ALA A 32 3.858 -5.494 -5.661 1.00 0.00 C ATOM 530 C ALA A 32 3.419 -6.239 -6.925 1.00 0.00 C ATOM 531 O ALA A 32 2.838 -5.652 -7.837 1.00 0.00 O ATOM 532 CB ALA A 32 2.744 -5.400 -4.622 1.00 0.00 C ATOM 0 H ALA A 32 3.582 -3.612 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 32 4.687 -6.074 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.401 -6.402 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.122 -4.905 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.913 -4.826 -5.031 1.00 0.00 H new ATOM 538 N ASN A 33 3.694 -7.542 -6.983 1.00 0.00 N ATOM 539 CA ASN A 33 3.307 -8.393 -8.100 1.00 0.00 C ATOM 540 C ASN A 33 1.776 -8.569 -8.161 1.00 0.00 C ATOM 541 O ASN A 33 1.166 -8.958 -7.168 1.00 0.00 O ATOM 542 CB ASN A 33 4.051 -9.718 -7.898 1.00 0.00 C ATOM 543 CG ASN A 33 4.064 -10.604 -9.130 1.00 0.00 C ATOM 544 OD1 ASN A 33 3.189 -10.549 -9.984 1.00 0.00 O ATOM 545 ND2 ASN A 33 5.081 -11.430 -9.242 1.00 0.00 N ATOM 0 H ASN A 33 4.197 -8.038 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 33 3.577 -7.953 -9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.079 -9.506 -7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.589 -10.262 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.153 -12.043 -10.054 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.798 -11.458 -8.517 1.00 0.00 H new ATOM 552 N ALA A 34 1.143 -8.312 -9.310 1.00 0.00 N ATOM 553 CA ALA A 34 -0.302 -8.511 -9.503 1.00 0.00 C ATOM 554 C ALA A 34 -0.672 -9.972 -9.848 1.00 0.00 C ATOM 555 O ALA A 34 -1.810 -10.390 -9.628 1.00 0.00 O ATOM 556 CB ALA A 34 -0.783 -7.539 -10.591 1.00 0.00 C ATOM 0 H ALA A 34 1.619 -7.958 -10.139 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.808 -8.303 -8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.853 -7.671 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.586 -6.514 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.251 -7.741 -11.521 1.00 0.00 H new ATOM 562 N ARG A 35 0.281 -10.780 -10.335 1.00 0.00 N ATOM 563 CA ARG A 35 0.097 -12.174 -10.798 1.00 0.00 C ATOM 564 C ARG A 35 -0.007 -13.184 -9.630 1.00 0.00 C ATOM 565 O ARG A 35 0.596 -14.258 -9.657 1.00 0.00 O ATOM 566 CB ARG A 35 1.208 -12.548 -11.797 1.00 0.00 C ATOM 567 CG ARG A 35 1.184 -11.659 -13.052 1.00 0.00 C ATOM 568 CD ARG A 35 2.401 -11.920 -13.939 1.00 0.00 C ATOM 569 NE ARG A 35 2.440 -13.301 -14.458 1.00 0.00 N ATOM 570 CZ ARG A 35 3.522 -13.980 -14.827 1.00 0.00 C ATOM 571 NH1 ARG A 35 4.730 -13.455 -14.790 1.00 0.00 N ATOM 572 NH2 ARG A 35 3.400 -15.220 -15.251 1.00 0.00 N ATOM 0 H ARG A 35 1.249 -10.470 -10.423 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.862 -12.231 -11.314 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.178 -12.458 -11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.094 -13.591 -12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.272 -11.848 -13.617 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.164 -10.610 -12.757 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.392 -11.222 -14.776 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.310 -11.724 -13.370 1.00 0.00 H new ATOM 0 HE ARG A 35 1.546 -13.784 -14.542 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.859 -12.495 -14.470 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.536 -14.008 -15.081 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.479 -15.656 -15.295 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.227 -15.745 -15.535 1.00 0.00 H new ATOM 586 N VAL A 36 -0.726 -12.810 -8.571 1.00 0.00 N ATOM 587 CA VAL A 36 -0.787 -13.484 -7.257 1.00 0.00 C ATOM 588 C VAL A 36 -1.907 -12.873 -6.406 1.00 0.00 C ATOM 589 O VAL A 36 -2.064 -11.655 -6.382 1.00 0.00 O ATOM 590 CB VAL A 36 0.585 -13.462 -6.521 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.211 -12.065 -6.404 1.00 0.00 C ATOM 592 CG2 VAL A 36 0.519 -14.108 -5.127 1.00 0.00 C ATOM 0 H VAL A 36 -1.319 -11.981 -8.601 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.020 -14.536 -7.425 1.00 0.00 H new ATOM 0 HB VAL A 36 1.234 -14.060 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.164 -12.136 -5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.375 -11.655 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.539 -11.410 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.503 -14.065 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.200 -13.569 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.208 -15.148 -5.222 1.00 0.00 H new ATOM 602 N GLU A 37 -2.666 -13.719 -5.703 1.00 0.00 N ATOM 603 CA GLU A 37 -3.823 -13.308 -4.891 1.00 0.00 C ATOM 604 C GLU A 37 -3.430 -12.340 -3.765 1.00 0.00 C ATOM 605 O GLU A 37 -4.086 -11.319 -3.550 1.00 0.00 O ATOM 606 CB GLU A 37 -4.472 -14.564 -4.287 1.00 0.00 C ATOM 607 CG GLU A 37 -5.834 -14.272 -3.643 1.00 0.00 C ATOM 608 CD GLU A 37 -6.511 -15.569 -3.179 1.00 0.00 C ATOM 609 OE1 GLU A 37 -6.290 -15.995 -2.021 1.00 0.00 O ATOM 610 OE2 GLU A 37 -7.279 -16.173 -3.966 1.00 0.00 O ATOM 0 H GLU A 37 -2.494 -14.724 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.523 -12.782 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.596 -15.315 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.804 -14.990 -3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.703 -13.602 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.476 -13.758 -4.358 1.00 0.00 H new ATOM 617 N ASN A 38 -2.336 -12.651 -3.063 1.00 0.00 N ATOM 618 CA ASN A 38 -1.870 -11.872 -1.913 1.00 0.00 C ATOM 619 C ASN A 38 -1.258 -10.515 -2.308 1.00 0.00 C ATOM 620 O ASN A 38 -1.189 -9.632 -1.460 1.00 0.00 O ATOM 621 CB ASN A 38 -0.828 -12.692 -1.135 1.00 0.00 C ATOM 622 CG ASN A 38 -1.341 -14.041 -0.639 1.00 0.00 C ATOM 623 OD1 ASN A 38 -2.452 -14.176 -0.141 1.00 0.00 O ATOM 624 ND2 ASN A 38 -0.534 -15.080 -0.772 1.00 0.00 N ATOM 0 H ASN A 38 -1.746 -13.455 -3.278 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.743 -11.660 -1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.039 -12.858 -1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.487 -12.108 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.835 -16.003 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.389 -14.959 -1.188 1.00 0.00 H new ATOM 631 N CYS A 39 -0.772 -10.357 -3.553 1.00 0.00 N ATOM 632 CA CYS A 39 -0.076 -9.148 -4.038 1.00 0.00 C ATOM 633 C CYS A 39 1.175 -8.810 -3.195 1.00 0.00 C ATOM 634 O CYS A 39 1.267 -7.745 -2.590 1.00 0.00 O ATOM 635 CB CYS A 39 -1.066 -7.975 -4.168 1.00 0.00 C ATOM 636 SG CYS A 39 -2.304 -8.344 -5.446 1.00 0.00 S ATOM 0 H CYS A 39 -0.853 -11.081 -4.266 1.00 0.00 H new ATOM 0 HA CYS A 39 0.310 -9.352 -5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.560 -7.798 -3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.529 -7.062 -4.424 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.193 -9.587 -5.812 1.00 0.00 H new ATOM 642 N ALA A 40 2.137 -9.736 -3.118 1.00 0.00 N ATOM 643 CA ALA A 40 3.353 -9.574 -2.310 1.00 0.00 C ATOM 644 C ALA A 40 4.244 -8.405 -2.805 1.00 0.00 C ATOM 645 O ALA A 40 4.468 -8.286 -4.011 1.00 0.00 O ATOM 646 CB ALA A 40 4.095 -10.921 -2.282 1.00 0.00 C ATOM 0 H ALA A 40 2.095 -10.625 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 40 3.079 -9.296 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.003 -10.824 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.451 -11.682 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.358 -11.213 -3.299 1.00 0.00 H new ATOM 652 N VAL A 41 4.771 -7.566 -1.895 1.00 0.00 N ATOM 653 CA VAL A 41 5.730 -6.479 -2.238 1.00 0.00 C ATOM 654 C VAL A 41 7.011 -7.091 -2.821 1.00 0.00 C ATOM 655 O VAL A 41 7.654 -7.917 -2.173 1.00 0.00 O ATOM 656 CB VAL A 41 6.105 -5.520 -1.066 1.00 0.00 C ATOM 657 CG1 VAL A 41 6.849 -4.286 -1.584 1.00 0.00 C ATOM 658 CG2 VAL A 41 4.864 -5.028 -0.306 1.00 0.00 C ATOM 0 H VAL A 41 4.550 -7.615 -0.900 1.00 0.00 H new ATOM 0 HA VAL A 41 5.208 -5.857 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 41 6.740 -6.098 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.099 -3.634 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.764 -4.598 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.214 -3.747 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.172 -4.363 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.208 -4.489 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.330 -5.882 0.111 1.00 0.00 H new ATOM 668 N ILE A 42 7.378 -6.669 -4.034 1.00 0.00 N ATOM 669 CA ILE A 42 8.613 -7.072 -4.738 1.00 0.00 C ATOM 670 C ILE A 42 9.677 -5.971 -4.724 1.00 0.00 C ATOM 671 O ILE A 42 10.861 -6.266 -4.889 1.00 0.00 O ATOM 672 CB ILE A 42 8.318 -7.513 -6.191 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.583 -6.433 -7.020 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.549 -8.841 -6.169 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.453 -6.779 -8.506 1.00 0.00 C ATOM 0 H ILE A 42 6.811 -6.017 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 42 9.013 -7.925 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 42 9.272 -7.656 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.587 -6.283 -6.603 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.116 -5.487 -6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.338 -9.156 -7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.150 -9.602 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.611 -8.709 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.927 -5.976 -9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.446 -6.900 -8.940 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.893 -7.708 -8.616 1.00 0.00 H new ATOM 687 N TYR A 43 9.274 -4.720 -4.486 1.00 0.00 N ATOM 688 CA TYR A 43 10.180 -3.578 -4.385 1.00 0.00 C ATOM 689 C TYR A 43 9.593 -2.458 -3.516 1.00 0.00 C ATOM 690 O TYR A 43 8.392 -2.209 -3.543 1.00 0.00 O ATOM 691 CB TYR A 43 10.506 -3.062 -5.797 1.00 0.00 C ATOM 692 CG TYR A 43 11.752 -2.199 -5.849 1.00 0.00 C ATOM 693 CD1 TYR A 43 13.022 -2.782 -5.672 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.637 -0.806 -6.018 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.176 -1.976 -5.673 1.00 0.00 C ATOM 696 CE2 TYR A 43 12.786 0.006 -6.023 1.00 0.00 C ATOM 697 CZ TYR A 43 14.063 -0.578 -5.849 1.00 0.00 C ATOM 698 OH TYR A 43 15.178 0.204 -5.848 1.00 0.00 O ATOM 0 H TYR A 43 8.293 -4.471 -4.356 1.00 0.00 H new ATOM 0 HA TYR A 43 11.097 -3.907 -3.897 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.634 -3.913 -6.466 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.659 -2.487 -6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.111 -3.850 -5.535 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.662 -0.359 -6.144 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.149 -2.426 -5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.693 1.073 -6.159 1.00 0.00 H new ATOM 0 HH TYR A 43 14.921 1.140 -5.982 1.00 0.00 H new ATOM 708 N CYS A 44 10.441 -1.740 -2.787 1.00 0.00 N ATOM 709 CA CYS A 44 10.068 -0.527 -2.039 1.00 0.00 C ATOM 710 C CYS A 44 10.962 0.664 -2.430 1.00 0.00 C ATOM 711 O CYS A 44 12.107 0.445 -2.829 1.00 0.00 O ATOM 712 CB CYS A 44 10.142 -0.796 -0.523 1.00 0.00 C ATOM 713 SG CYS A 44 9.434 -2.396 -0.039 1.00 0.00 S ATOM 0 H CYS A 44 11.427 -1.983 -2.693 1.00 0.00 H new ATOM 0 HA CYS A 44 9.042 -0.266 -2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.184 -0.757 -0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.617 -0.000 0.006 1.00 0.00 H new ATOM 0 HG CYS A 44 9.723 -2.640 1.205 1.00 0.00 H new ATOM 719 N ASN A 45 10.483 1.903 -2.257 1.00 0.00 N ATOM 720 CA ASN A 45 11.326 3.110 -2.413 1.00 0.00 C ATOM 721 C ASN A 45 12.346 3.249 -1.243 1.00 0.00 C ATOM 722 O ASN A 45 12.713 2.259 -0.616 1.00 0.00 O ATOM 723 CB ASN A 45 10.402 4.342 -2.594 1.00 0.00 C ATOM 724 CG ASN A 45 11.072 5.552 -3.261 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.278 5.594 -3.471 1.00 0.00 O ATOM 726 ND2 ASN A 45 10.327 6.595 -3.575 1.00 0.00 N ATOM 0 H ASN A 45 9.514 2.103 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 45 11.944 3.027 -3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.538 4.047 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.026 4.645 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.757 7.423 -3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.321 6.573 -3.405 1.00 0.00 H new ATOM 733 N ASP A 46 12.778 4.465 -0.894 1.00 0.00 N ATOM 734 CA ASP A 46 13.470 4.787 0.371 1.00 0.00 C ATOM 735 C ASP A 46 12.686 5.776 1.258 1.00 0.00 C ATOM 736 O ASP A 46 12.929 5.854 2.462 1.00 0.00 O ATOM 737 CB ASP A 46 14.862 5.353 0.059 1.00 0.00 C ATOM 738 CG ASP A 46 15.779 4.313 -0.609 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.290 3.413 0.102 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.009 4.411 -1.838 1.00 0.00 O ATOM 0 H ASP A 46 12.656 5.279 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 46 13.552 3.860 0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.761 6.219 -0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.325 5.703 0.982 1.00 0.00 H new ATOM 745 N GLY A 47 11.707 6.500 0.696 1.00 0.00 N ATOM 746 CA GLY A 47 10.882 7.475 1.426 1.00 0.00 C ATOM 747 C GLY A 47 9.817 6.815 2.299 1.00 0.00 C ATOM 748 O GLY A 47 9.518 7.303 3.386 1.00 0.00 O ATOM 0 H GLY A 47 11.462 6.424 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.526 8.093 2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.398 8.141 0.712 1.00 0.00 H new ATOM 752 N PHE A 48 9.276 5.672 1.852 1.00 0.00 N ATOM 753 CA PHE A 48 8.279 4.875 2.587 1.00 0.00 C ATOM 754 C PHE A 48 8.810 4.436 3.973 1.00 0.00 C ATOM 755 O PHE A 48 8.089 4.496 4.966 1.00 0.00 O ATOM 756 CB PHE A 48 7.837 3.673 1.711 1.00 0.00 C ATOM 757 CG PHE A 48 8.742 2.452 1.809 1.00 0.00 C ATOM 758 CD1 PHE A 48 10.099 2.536 1.441 1.00 0.00 C ATOM 759 CD2 PHE A 48 8.267 1.285 2.431 1.00 0.00 C ATOM 760 CE1 PHE A 48 10.996 1.525 1.829 1.00 0.00 C ATOM 761 CE2 PHE A 48 9.162 0.259 2.780 1.00 0.00 C ATOM 762 CZ PHE A 48 10.530 0.386 2.504 1.00 0.00 C ATOM 0 H PHE A 48 9.524 5.266 0.950 1.00 0.00 H new ATOM 0 HA PHE A 48 7.403 5.492 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.826 3.384 1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.794 3.995 0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.450 3.377 0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.213 1.176 2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.048 1.625 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.793 -0.633 3.264 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.220 -0.387 2.808 1.00 0.00 H new ATOM 772 N CYS A 49 10.102 4.081 4.049 1.00 0.00 N ATOM 773 CA CYS A 49 10.828 3.771 5.290 1.00 0.00 C ATOM 774 C CYS A 49 10.692 4.899 6.330 1.00 0.00 C ATOM 775 O CYS A 49 10.271 4.647 7.458 1.00 0.00 O ATOM 776 CB CYS A 49 12.289 3.459 4.909 1.00 0.00 C ATOM 777 SG CYS A 49 13.376 3.408 6.363 1.00 0.00 S ATOM 0 H CYS A 49 10.690 3.999 3.220 1.00 0.00 H new ATOM 0 HA CYS A 49 10.397 2.898 5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.332 2.501 4.391 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.651 4.215 4.212 1.00 0.00 H new ATOM 0 HG CYS A 49 12.884 2.588 7.244 1.00 0.00 H new ATOM 783 N GLU A 50 10.970 6.145 5.939 1.00 0.00 N ATOM 784 CA GLU A 50 10.900 7.302 6.845 1.00 0.00 C ATOM 785 C GLU A 50 9.460 7.738 7.179 1.00 0.00 C ATOM 786 O GLU A 50 9.235 8.355 8.225 1.00 0.00 O ATOM 787 CB GLU A 50 11.689 8.477 6.252 1.00 0.00 C ATOM 788 CG GLU A 50 13.176 8.125 6.133 1.00 0.00 C ATOM 789 CD GLU A 50 14.011 9.364 5.776 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.099 9.719 4.578 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.590 9.993 6.694 1.00 0.00 O ATOM 0 H GLU A 50 11.250 6.384 4.988 1.00 0.00 H new ATOM 0 HA GLU A 50 11.347 6.987 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.290 8.731 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.568 9.358 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.529 7.703 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.312 7.359 5.369 1.00 0.00 H new ATOM 798 N LEU A 51 8.481 7.401 6.327 1.00 0.00 N ATOM 799 CA LEU A 51 7.057 7.676 6.553 1.00 0.00 C ATOM 800 C LEU A 51 6.509 6.898 7.764 1.00 0.00 C ATOM 801 O LEU A 51 5.878 7.499 8.633 1.00 0.00 O ATOM 802 CB LEU A 51 6.285 7.358 5.254 1.00 0.00 C ATOM 803 CG LEU A 51 4.772 7.649 5.279 1.00 0.00 C ATOM 804 CD1 LEU A 51 4.477 9.151 5.398 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.095 7.056 4.038 1.00 0.00 C ATOM 0 H LEU A 51 8.661 6.921 5.445 1.00 0.00 H new ATOM 0 HA LEU A 51 6.923 8.730 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.731 7.930 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.428 6.303 5.019 1.00 0.00 H new ATOM 0 HG LEU A 51 4.359 7.171 6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.399 9.310 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.912 9.535 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.910 9.675 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.027 7.269 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.527 7.499 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.249 5.977 4.020 1.00 0.00 H new ATOM 817 N CYS A 52 6.751 5.581 7.830 1.00 0.00 N ATOM 818 CA CYS A 52 6.191 4.698 8.870 1.00 0.00 C ATOM 819 C CYS A 52 7.198 4.246 9.950 1.00 0.00 C ATOM 820 O CYS A 52 6.781 3.841 11.036 1.00 0.00 O ATOM 821 CB CYS A 52 5.548 3.493 8.168 1.00 0.00 C ATOM 822 SG CYS A 52 4.151 4.050 7.144 1.00 0.00 S ATOM 0 H CYS A 52 7.345 5.093 7.160 1.00 0.00 H new ATOM 0 HA CYS A 52 5.453 5.274 9.428 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.286 2.986 7.547 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.203 2.771 8.908 1.00 0.00 H new ATOM 0 HG CYS A 52 3.612 3.026 6.551 1.00 0.00 H new ATOM 828 N GLY A 53 8.507 4.302 9.685 1.00 0.00 N ATOM 829 CA GLY A 53 9.566 3.900 10.622 1.00 0.00 C ATOM 830 C GLY A 53 9.965 2.424 10.517 1.00 0.00 C ATOM 831 O GLY A 53 10.760 1.954 11.330 1.00 0.00 O ATOM 0 H GLY A 53 8.870 4.636 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.447 4.517 10.445 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.233 4.104 11.640 1.00 0.00 H new ATOM 835 N TYR A 54 9.426 1.692 9.535 1.00 0.00 N ATOM 836 CA TYR A 54 9.833 0.325 9.197 1.00 0.00 C ATOM 837 C TYR A 54 10.988 0.294 8.172 1.00 0.00 C ATOM 838 O TYR A 54 11.486 1.339 7.758 1.00 0.00 O ATOM 839 CB TYR A 54 8.589 -0.473 8.762 1.00 0.00 C ATOM 840 CG TYR A 54 7.676 0.070 7.668 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.129 0.928 6.648 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.326 -0.338 7.670 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.241 1.375 5.651 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.437 0.091 6.667 1.00 0.00 C ATOM 845 CZ TYR A 54 5.895 0.956 5.647 1.00 0.00 C ATOM 846 OH TYR A 54 5.059 1.375 4.657 1.00 0.00 O ATOM 0 H TYR A 54 8.676 2.043 8.939 1.00 0.00 H new ATOM 0 HA TYR A 54 10.249 -0.162 10.079 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.932 -1.456 8.439 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.975 -0.625 9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.161 1.245 6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.969 -0.990 8.454 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.595 2.046 4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.409 -0.239 6.676 1.00 0.00 H new ATOM 0 HH TYR A 54 4.167 0.996 4.800 1.00 0.00 H new ATOM 856 N SER A 55 11.391 -0.893 7.717 1.00 0.00 N ATOM 857 CA SER A 55 12.484 -1.078 6.747 1.00 0.00 C ATOM 858 C SER A 55 12.094 -2.092 5.661 1.00 0.00 C ATOM 859 O SER A 55 11.202 -2.924 5.871 1.00 0.00 O ATOM 860 CB SER A 55 13.757 -1.552 7.477 1.00 0.00 C ATOM 861 OG SER A 55 14.207 -0.593 8.428 1.00 0.00 O ATOM 0 H SER A 55 10.964 -1.770 8.014 1.00 0.00 H new ATOM 0 HA SER A 55 12.678 -0.120 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.557 -2.498 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.546 -1.740 6.748 1.00 0.00 H new ATOM 0 HG SER A 55 15.014 -0.927 8.873 1.00 0.00 H new ATOM 867 N ARG A 56 12.797 -2.090 4.515 1.00 0.00 N ATOM 868 CA ARG A 56 12.539 -3.031 3.411 1.00 0.00 C ATOM 869 C ARG A 56 12.556 -4.489 3.888 1.00 0.00 C ATOM 870 O ARG A 56 11.627 -5.219 3.581 1.00 0.00 O ATOM 871 CB ARG A 56 13.514 -2.769 2.244 1.00 0.00 C ATOM 872 CG ARG A 56 13.218 -3.677 1.034 1.00 0.00 C ATOM 873 CD ARG A 56 14.144 -3.431 -0.162 1.00 0.00 C ATOM 874 NE ARG A 56 13.944 -2.086 -0.737 1.00 0.00 N ATOM 875 CZ ARG A 56 14.875 -1.144 -0.904 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.116 -1.300 -0.494 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.583 -0.007 -1.491 1.00 0.00 N ATOM 0 H ARG A 56 13.558 -1.438 4.328 1.00 0.00 H new ATOM 0 HA ARG A 56 11.530 -2.856 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.444 -1.725 1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.537 -2.935 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.306 -4.719 1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.185 -3.524 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.182 -3.542 0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.960 -4.185 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 56 12.998 -1.853 -1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.395 -2.165 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.799 -0.556 -0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.635 0.165 -1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.304 0.704 -1.612 1.00 0.00 H new ATOM 891 N ALA A 57 13.499 -4.889 4.744 1.00 0.00 N ATOM 892 CA ALA A 57 13.546 -6.234 5.346 1.00 0.00 C ATOM 893 C ALA A 57 12.252 -6.649 6.089 1.00 0.00 C ATOM 894 O ALA A 57 11.934 -7.838 6.140 1.00 0.00 O ATOM 895 CB ALA A 57 14.762 -6.279 6.282 1.00 0.00 C ATOM 0 H ALA A 57 14.263 -4.285 5.046 1.00 0.00 H new ATOM 0 HA ALA A 57 13.635 -6.962 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.828 -7.263 6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 57 15.669 -6.087 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.654 -5.519 7.056 1.00 0.00 H new ATOM 901 N GLU A 58 11.489 -5.684 6.625 1.00 0.00 N ATOM 902 CA GLU A 58 10.223 -5.913 7.337 1.00 0.00 C ATOM 903 C GLU A 58 9.004 -5.813 6.407 1.00 0.00 C ATOM 904 O GLU A 58 8.030 -6.543 6.595 1.00 0.00 O ATOM 905 CB GLU A 58 10.064 -4.878 8.464 1.00 0.00 C ATOM 906 CG GLU A 58 11.292 -4.762 9.374 1.00 0.00 C ATOM 907 CD GLU A 58 11.615 -6.075 10.104 1.00 0.00 C ATOM 908 OE1 GLU A 58 10.782 -6.546 10.916 1.00 0.00 O ATOM 909 OE2 GLU A 58 12.715 -6.638 9.889 1.00 0.00 O ATOM 0 H GLU A 58 11.742 -4.697 6.574 1.00 0.00 H new ATOM 0 HA GLU A 58 10.263 -6.925 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.857 -3.903 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.198 -5.144 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.154 -4.461 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.122 -3.975 10.109 1.00 0.00 H new ATOM 916 N VAL A 59 9.053 -4.912 5.414 1.00 0.00 N ATOM 917 CA VAL A 59 7.980 -4.705 4.416 1.00 0.00 C ATOM 918 C VAL A 59 8.074 -5.707 3.241 1.00 0.00 C ATOM 919 O VAL A 59 7.117 -5.878 2.486 1.00 0.00 O ATOM 920 CB VAL A 59 7.940 -3.218 3.969 1.00 0.00 C ATOM 921 CG1 VAL A 59 6.874 -2.914 2.901 1.00 0.00 C ATOM 922 CG2 VAL A 59 7.641 -2.344 5.200 1.00 0.00 C ATOM 0 H VAL A 59 9.852 -4.293 5.275 1.00 0.00 H new ATOM 0 HA VAL A 59 7.021 -4.919 4.887 1.00 0.00 H new ATOM 0 HB VAL A 59 8.911 -3.001 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.910 -1.856 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.070 -3.512 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.887 -3.159 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.609 -1.296 4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.679 -2.630 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.423 -2.486 5.946 1.00 0.00 H new ATOM 932 N MET A 60 9.190 -6.435 3.109 1.00 0.00 N ATOM 933 CA MET A 60 9.347 -7.527 2.132 1.00 0.00 C ATOM 934 C MET A 60 8.468 -8.739 2.468 1.00 0.00 C ATOM 935 O MET A 60 8.285 -9.089 3.634 1.00 0.00 O ATOM 936 CB MET A 60 10.822 -7.947 2.011 1.00 0.00 C ATOM 937 CG MET A 60 11.582 -7.034 1.043 1.00 0.00 C ATOM 938 SD MET A 60 11.167 -7.270 -0.708 1.00 0.00 S ATOM 939 CE MET A 60 10.327 -5.700 -1.032 1.00 0.00 C ATOM 0 H MET A 60 10.020 -6.283 3.682 1.00 0.00 H new ATOM 0 HA MET A 60 9.012 -7.141 1.169 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.294 -7.913 2.993 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.882 -8.979 1.664 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.384 -5.997 1.312 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.652 -7.199 1.174 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.689 -5.803 -1.910 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.717 -5.429 -0.170 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.068 -4.921 -1.211 1.00 0.00 H new ATOM 949 N GLN A 61 7.913 -9.366 1.419 1.00 0.00 N ATOM 950 CA GLN A 61 7.013 -10.534 1.483 1.00 0.00 C ATOM 951 C GLN A 61 5.629 -10.216 2.091 1.00 0.00 C ATOM 952 O GLN A 61 4.808 -11.113 2.277 1.00 0.00 O ATOM 953 CB GLN A 61 7.740 -11.731 2.144 1.00 0.00 C ATOM 954 CG GLN A 61 7.316 -13.112 1.596 1.00 0.00 C ATOM 955 CD GLN A 61 6.684 -14.012 2.657 1.00 0.00 C ATOM 956 OE1 GLN A 61 7.248 -15.011 3.092 1.00 0.00 O ATOM 957 NE2 GLN A 61 5.494 -13.694 3.117 1.00 0.00 N ATOM 0 H GLN A 61 8.085 -9.062 0.461 1.00 0.00 H new ATOM 0 HA GLN A 61 6.772 -10.829 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.814 -11.611 2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.554 -11.706 3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.607 -12.970 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.189 -13.613 1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.015 -12.866 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.050 -14.275 3.828 1.00 0.00 H new ATOM 966 N ARG A 62 5.334 -8.936 2.348 1.00 0.00 N ATOM 967 CA ARG A 62 4.028 -8.469 2.842 1.00 0.00 C ATOM 968 C ARG A 62 3.020 -8.418 1.686 1.00 0.00 C ATOM 969 O ARG A 62 3.440 -8.118 0.567 1.00 0.00 O ATOM 970 CB ARG A 62 4.141 -7.061 3.465 1.00 0.00 C ATOM 971 CG ARG A 62 5.007 -6.987 4.725 1.00 0.00 C ATOM 972 CD ARG A 62 4.412 -7.667 5.960 1.00 0.00 C ATOM 973 NE ARG A 62 5.358 -7.529 7.079 1.00 0.00 N ATOM 974 CZ ARG A 62 5.115 -7.655 8.375 1.00 0.00 C ATOM 975 NH1 ARG A 62 3.931 -7.995 8.845 1.00 0.00 N ATOM 976 NH2 ARG A 62 6.092 -7.433 9.225 1.00 0.00 N ATOM 0 H ARG A 62 6.007 -8.180 2.217 1.00 0.00 H new ATOM 0 HA ARG A 62 3.690 -9.169 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.550 -6.380 2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.140 -6.704 3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.974 -7.441 4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.192 -5.939 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.455 -7.213 6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.220 -8.720 5.755 1.00 0.00 H new ATOM 0 HE ARG A 62 6.321 -7.309 6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.159 -8.172 8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.787 -8.081 9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.016 -7.169 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.927 -7.524 10.227 1.00 0.00 H new ATOM 990 N PRO A 63 1.706 -8.564 1.946 1.00 0.00 N ATOM 991 CA PRO A 63 0.646 -8.460 0.936 1.00 0.00 C ATOM 992 C PRO A 63 0.327 -7.023 0.455 1.00 0.00 C ATOM 993 O PRO A 63 -0.701 -6.816 -0.183 1.00 0.00 O ATOM 994 CB PRO A 63 -0.561 -9.171 1.565 1.00 0.00 C ATOM 995 CG PRO A 63 -0.364 -9.018 3.067 1.00 0.00 C ATOM 996 CD PRO A 63 1.149 -8.954 3.241 1.00 0.00 C ATOM 0 HA PRO A 63 0.965 -8.927 0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.499 -8.720 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.596 -10.221 1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.847 -8.115 3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.792 -9.859 3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.420 -8.232 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.543 -9.920 3.557 1.00 0.00 H new ATOM 1004 N CYS A 64 1.175 -6.019 0.761 1.00 0.00 N ATOM 1005 CA CYS A 64 1.179 -4.655 0.188 1.00 0.00 C ATOM 1006 C CYS A 64 0.048 -3.747 0.723 1.00 0.00 C ATOM 1007 O CYS A 64 0.239 -2.538 0.854 1.00 0.00 O ATOM 1008 CB CYS A 64 1.196 -4.767 -1.346 1.00 0.00 C ATOM 1009 SG CYS A 64 1.745 -3.214 -2.092 1.00 0.00 S ATOM 0 H CYS A 64 1.915 -6.144 1.451 1.00 0.00 H new ATOM 0 HA CYS A 64 2.084 -4.145 0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.859 -5.577 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.199 -5.018 -1.709 1.00 0.00 H new ATOM 0 HG CYS A 64 3.023 -3.272 -2.325 1.00 0.00 H new ATOM 1015 N THR A 65 -1.079 -4.341 1.138 1.00 0.00 N ATOM 1016 CA THR A 65 -2.228 -3.703 1.807 1.00 0.00 C ATOM 1017 C THR A 65 -1.872 -3.007 3.122 1.00 0.00 C ATOM 1018 O THR A 65 -2.663 -2.177 3.571 1.00 0.00 O ATOM 1019 CB THR A 65 -3.319 -4.742 2.093 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.726 -5.814 2.801 1.00 0.00 O ATOM 1021 CG2 THR A 65 -3.959 -5.279 0.813 1.00 0.00 C ATOM 0 H THR A 65 -1.225 -5.342 1.009 1.00 0.00 H new ATOM 0 HA THR A 65 -2.579 -2.938 1.115 1.00 0.00 H new ATOM 0 HB THR A 65 -4.108 -4.264 2.673 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.406 -6.492 2.997 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.725 -6.011 1.069 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.413 -4.456 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.196 -5.753 0.196 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.723 -3.362 3.726 1.00 0.00 N ATOM 1030 CA CYS A 66 -0.164 -2.814 4.973 1.00 0.00 C ATOM 1031 C CYS A 66 -1.201 -2.607 6.097 1.00 0.00 C ATOM 1032 O CYS A 66 -1.137 -1.642 6.860 1.00 0.00 O ATOM 1033 CB CYS A 66 0.777 -1.623 4.673 1.00 0.00 C ATOM 1034 SG CYS A 66 -0.057 -0.227 3.852 1.00 0.00 S ATOM 0 H CYS A 66 -0.123 -4.085 3.330 1.00 0.00 H new ATOM 0 HA CYS A 66 0.472 -3.577 5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.218 -1.274 5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.597 -1.968 4.043 1.00 0.00 H new ATOM 0 HG CYS A 66 0.734 0.286 2.957 1.00 0.00 H new ATOM 1040 N ASP A 67 -2.131 -3.564 6.243 1.00 0.00 N ATOM 1041 CA ASP A 67 -3.222 -3.507 7.225 1.00 0.00 C ATOM 1042 C ASP A 67 -2.691 -3.363 8.658 1.00 0.00 C ATOM 1043 O ASP A 67 -3.299 -2.674 9.474 1.00 0.00 O ATOM 1044 CB ASP A 67 -4.101 -4.762 7.103 1.00 0.00 C ATOM 1045 CG ASP A 67 -5.261 -4.760 8.119 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -6.350 -4.236 7.789 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -5.084 -5.289 9.242 1.00 0.00 O ATOM 0 H ASP A 67 -2.145 -4.410 5.674 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.822 -2.623 7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.505 -4.824 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.487 -5.650 7.256 1.00 0.00 H new ATOM 1052 N PHE A 68 -1.523 -3.954 8.941 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.839 -3.892 10.232 1.00 0.00 C ATOM 1054 C PHE A 68 -0.531 -2.458 10.719 1.00 0.00 C ATOM 1055 O PHE A 68 -0.268 -2.270 11.909 1.00 0.00 O ATOM 1056 CB PHE A 68 0.434 -4.753 10.159 1.00 0.00 C ATOM 1057 CG PHE A 68 1.483 -4.275 9.166 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.389 -3.269 9.542 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.567 -4.840 7.881 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.364 -2.818 8.638 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.549 -4.393 6.973 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.446 -3.376 7.350 1.00 0.00 C ATOM 0 H PHE A 68 -1.014 -4.507 8.251 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.521 -4.290 10.983 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.886 -4.790 11.150 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.149 -5.773 9.900 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.335 -2.840 10.532 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.878 -5.618 7.589 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.053 -2.040 8.933 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.613 -4.831 5.988 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.194 -3.026 6.653 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.599 -1.446 9.838 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.498 -0.026 10.201 1.00 0.00 C ATOM 1074 C LEU A 69 -1.766 0.543 10.868 1.00 0.00 C ATOM 1075 O LEU A 69 -1.769 1.712 11.251 1.00 0.00 O ATOM 1076 CB LEU A 69 -0.113 0.810 8.966 1.00 0.00 C ATOM 1077 CG LEU A 69 1.244 0.459 8.324 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.464 1.368 7.108 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.418 0.627 9.301 1.00 0.00 C ATOM 0 H LEU A 69 -0.728 -1.596 8.837 1.00 0.00 H new ATOM 0 HA LEU A 69 0.286 0.041 10.955 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.892 0.694 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.099 1.862 9.251 1.00 0.00 H new ATOM 0 HG LEU A 69 1.213 -0.590 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.421 1.130 6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.662 1.211 6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.465 2.410 7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.350 0.367 8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.465 1.662 9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.274 -0.029 10.160 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.841 -0.235 11.024 1.00 0.00 N ATOM 1092 CA HIS A 70 -4.032 0.216 11.748 1.00 0.00 C ATOM 1093 C HIS A 70 -3.740 0.576 13.226 1.00 0.00 C ATOM 1094 O HIS A 70 -3.094 -0.176 13.966 1.00 0.00 O ATOM 1095 CB HIS A 70 -5.189 -0.794 11.602 1.00 0.00 C ATOM 1096 CG HIS A 70 -5.050 -2.094 12.365 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -4.536 -3.275 11.884 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -5.504 -2.350 13.632 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -4.651 -4.213 12.837 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -5.255 -3.701 13.926 1.00 0.00 N ATOM 0 H HIS A 70 -2.910 -1.184 10.657 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.353 1.148 11.282 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.110 -0.307 11.923 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.305 -1.030 10.544 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.134 -3.415 10.957 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.973 -1.635 14.292 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.308 -5.233 12.744 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.254 1.734 13.655 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.331 2.185 15.049 1.00 0.00 C ATOM 1110 C GLY A 71 -5.776 2.131 15.580 1.00 0.00 C ATOM 1111 O GLY A 71 -6.622 1.466 14.972 1.00 0.00 O ATOM 0 H GLY A 71 -4.647 2.416 13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.690 1.560 15.671 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.952 3.204 15.124 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.088 2.839 16.685 1.00 0.00 N ATOM 1116 CA PRO A 72 -7.436 2.878 17.255 1.00 0.00 C ATOM 1117 C PRO A 72 -8.428 3.696 16.408 1.00 0.00 C ATOM 1118 O PRO A 72 -9.628 3.428 16.463 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.256 3.483 18.653 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.028 4.379 18.504 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.162 3.612 17.506 1.00 0.00 C ATOM 0 HA PRO A 72 -7.873 1.880 17.286 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.133 4.053 18.959 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.099 2.711 19.406 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.293 5.368 18.131 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.516 4.523 19.455 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.574 4.295 16.893 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.458 2.959 18.021 1.00 0.00 H new ATOM 1129 N ARG A 73 -7.946 4.675 15.621 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.778 5.583 14.813 1.00 0.00 C ATOM 1131 C ARG A 73 -8.974 5.113 13.353 1.00 0.00 C ATOM 1132 O ARG A 73 -9.778 5.697 12.620 1.00 0.00 O ATOM 1133 CB ARG A 73 -8.164 6.993 14.928 1.00 0.00 C ATOM 1134 CG ARG A 73 -9.074 8.121 14.406 1.00 0.00 C ATOM 1135 CD ARG A 73 -8.679 9.493 14.970 1.00 0.00 C ATOM 1136 NE ARG A 73 -9.055 9.616 16.393 1.00 0.00 N ATOM 1137 CZ ARG A 73 -8.640 10.536 17.258 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -7.782 11.478 16.923 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -9.095 10.523 18.492 1.00 0.00 N ATOM 0 H ARG A 73 -6.947 4.860 15.528 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.796 5.590 15.204 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.924 7.189 15.973 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.224 7.014 14.376 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.026 8.150 13.317 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.108 7.904 14.673 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.604 9.637 14.862 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.166 10.280 14.394 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.706 8.917 16.752 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.414 11.518 15.973 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.486 12.168 17.614 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.763 9.809 18.782 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.779 11.227 19.159 1.00 0.00 H new ATOM 1153 N THR A 74 -8.263 4.059 12.918 1.00 0.00 N ATOM 1154 CA THR A 74 -8.347 3.474 11.564 1.00 0.00 C ATOM 1155 C THR A 74 -9.736 2.882 11.320 1.00 0.00 C ATOM 1156 O THR A 74 -10.309 2.246 12.204 1.00 0.00 O ATOM 1157 CB THR A 74 -7.264 2.407 11.378 1.00 0.00 C ATOM 1158 OG1 THR A 74 -6.030 2.970 11.745 1.00 0.00 O ATOM 1159 CG2 THR A 74 -7.146 1.926 9.933 1.00 0.00 C ATOM 0 H THR A 74 -7.593 3.574 13.515 1.00 0.00 H new ATOM 0 HA THR A 74 -8.181 4.265 10.833 1.00 0.00 H new ATOM 0 HB THR A 74 -7.536 1.550 11.995 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.593 3.345 10.952 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.363 1.171 9.864 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.095 1.495 9.614 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.896 2.769 9.288 1.00 0.00 H new ATOM 1167 N GLN A 75 -10.269 3.081 10.111 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.582 2.582 9.699 1.00 0.00 C ATOM 1169 C GLN A 75 -11.410 1.341 8.813 1.00 0.00 C ATOM 1170 O GLN A 75 -10.782 1.412 7.754 1.00 0.00 O ATOM 1171 CB GLN A 75 -12.341 3.700 8.965 1.00 0.00 C ATOM 1172 CG GLN A 75 -12.859 4.760 9.953 1.00 0.00 C ATOM 1173 CD GLN A 75 -13.194 6.074 9.249 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -14.326 6.345 8.867 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -12.211 6.925 9.034 1.00 0.00 N ATOM 0 H GLN A 75 -9.790 3.604 9.378 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.164 2.289 10.573 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.684 4.171 8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.178 3.273 8.413 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.747 4.382 10.459 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.107 4.940 10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.267 6.704 9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.394 7.805 8.551 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.014 0.209 9.199 1.00 0.00 N ATOM 1185 CA ARG A 76 -11.936 -1.047 8.430 1.00 0.00 C ATOM 1186 C ARG A 76 -12.538 -0.921 7.023 1.00 0.00 C ATOM 1187 O ARG A 76 -12.063 -1.579 6.099 1.00 0.00 O ATOM 1188 CB ARG A 76 -12.598 -2.197 9.215 1.00 0.00 C ATOM 1189 CG ARG A 76 -11.863 -2.576 10.513 1.00 0.00 C ATOM 1190 CD ARG A 76 -10.458 -3.151 10.270 1.00 0.00 C ATOM 1191 NE ARG A 76 -9.833 -3.553 11.540 1.00 0.00 N ATOM 1192 CZ ARG A 76 -8.578 -3.952 11.717 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -7.736 -4.087 10.713 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -8.151 -4.217 12.932 1.00 0.00 N ATOM 0 H ARG A 76 -12.570 0.135 10.051 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.879 -1.274 8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -13.622 -1.914 9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.655 -3.076 8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.782 -1.693 11.148 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.458 -3.308 11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.522 -4.010 9.603 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.836 -2.407 9.773 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.424 -3.522 12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.040 -3.883 9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.780 -4.396 10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.781 -4.116 13.728 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.189 -4.524 13.079 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.499 -0.005 6.824 1.00 0.00 N ATOM 1209 CA ARG A 77 -14.045 0.358 5.504 1.00 0.00 C ATOM 1210 C ARG A 77 -12.943 0.819 4.538 1.00 0.00 C ATOM 1211 O ARG A 77 -12.883 0.328 3.415 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.146 1.425 5.685 1.00 0.00 C ATOM 1213 CG ARG A 77 -15.959 1.731 4.410 1.00 0.00 C ATOM 1214 CD ARG A 77 -16.841 0.569 3.927 1.00 0.00 C ATOM 1215 NE ARG A 77 -17.908 0.256 4.898 1.00 0.00 N ATOM 1216 CZ ARG A 77 -18.665 -0.837 4.929 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -18.538 -1.805 4.045 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -19.578 -0.970 5.867 1.00 0.00 N ATOM 0 H ARG A 77 -13.927 0.515 7.590 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.490 -0.526 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.830 1.093 6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.685 2.348 6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.592 2.599 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.270 2.005 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.287 0.825 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.224 -0.315 3.767 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.083 0.952 5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.841 -1.731 3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.137 -2.629 4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.702 -0.237 6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.162 -1.806 5.896 1.00 0.00 H new ATOM 1232 N ALA A 78 -12.029 1.689 4.981 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.868 2.138 4.207 1.00 0.00 C ATOM 1234 C ALA A 78 -9.827 1.024 4.036 1.00 0.00 C ATOM 1235 O ALA A 78 -9.395 0.766 2.917 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.282 3.373 4.902 1.00 0.00 C ATOM 0 H ALA A 78 -12.078 2.110 5.909 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.180 2.402 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.415 3.727 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.035 4.160 4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.979 3.111 5.916 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.492 0.291 5.103 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.550 -0.839 5.026 1.00 0.00 C ATOM 1244 C ALA A 79 -8.972 -1.897 3.983 1.00 0.00 C ATOM 1245 O ALA A 79 -8.129 -2.471 3.292 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.413 -1.443 6.428 1.00 0.00 C ATOM 0 H ALA A 79 -9.861 0.459 6.039 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.582 -0.472 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.719 -2.283 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.035 -0.686 7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.387 -1.790 6.771 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.284 -2.086 3.809 1.00 0.00 N ATOM 1253 CA ALA A 80 -10.881 -2.942 2.787 1.00 0.00 C ATOM 1254 C ALA A 80 -10.729 -2.366 1.380 1.00 0.00 C ATOM 1255 O ALA A 80 -10.418 -3.108 0.453 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.366 -3.086 3.117 1.00 0.00 C ATOM 0 H ALA A 80 -10.981 -1.630 4.398 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.368 -3.904 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.844 -3.721 2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.478 -3.537 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.837 -2.103 3.112 1.00 0.00 H new ATOM 1262 N GLN A 81 -10.924 -1.054 1.202 1.00 0.00 N ATOM 1263 CA GLN A 81 -10.781 -0.418 -0.106 1.00 0.00 C ATOM 1264 C GLN A 81 -9.357 -0.580 -0.653 1.00 0.00 C ATOM 1265 O GLN A 81 -9.214 -0.767 -1.854 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.181 1.063 -0.049 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.633 1.397 0.331 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.667 0.345 -0.074 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -13.984 0.165 -1.243 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -14.197 -0.406 0.871 1.00 0.00 N ATOM 0 H GLN A 81 -11.182 -0.413 1.952 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.460 -0.923 -0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.525 1.560 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.980 1.502 -1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.686 1.540 1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.904 2.347 -0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.935 -0.259 1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.869 -1.134 0.627 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.310 -0.596 0.190 1.00 0.00 N ATOM 1280 CA ILE A 82 -6.940 -0.923 -0.268 1.00 0.00 C ATOM 1281 C ILE A 82 -6.886 -2.330 -0.886 1.00 0.00 C ATOM 1282 O ILE A 82 -6.298 -2.510 -1.949 1.00 0.00 O ATOM 1283 CB ILE A 82 -5.898 -0.787 0.869 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -5.997 0.577 1.583 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.482 -0.973 0.287 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.096 0.675 2.814 1.00 0.00 C ATOM 0 H ILE A 82 -8.381 -0.388 1.186 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.680 -0.196 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.105 -1.559 1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.731 1.368 0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.031 0.750 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.745 -0.878 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.401 -1.961 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.297 -0.211 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.211 1.658 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.377 -0.095 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.057 0.532 2.517 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.527 -3.322 -0.260 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.593 -4.691 -0.778 1.00 0.00 C ATOM 1300 C ALA A 83 -8.479 -4.810 -2.035 1.00 0.00 C ATOM 1301 O ALA A 83 -8.145 -5.559 -2.951 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.066 -5.614 0.353 1.00 0.00 C ATOM 0 H ALA A 83 -8.017 -3.196 0.626 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.599 -4.995 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.122 -6.639 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.361 -5.563 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.051 -5.296 0.694 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.577 -4.047 -2.117 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.430 -3.981 -3.314 1.00 0.00 C ATOM 1310 C GLN A 84 -9.722 -3.275 -4.484 1.00 0.00 C ATOM 1311 O GLN A 84 -9.923 -3.659 -5.634 1.00 0.00 O ATOM 1312 CB GLN A 84 -11.759 -3.268 -2.999 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.669 -3.988 -1.984 1.00 0.00 C ATOM 1314 CD GLN A 84 -13.115 -5.375 -2.451 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -13.927 -5.526 -3.354 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -12.596 -6.441 -1.871 1.00 0.00 N ATOM 0 H GLN A 84 -9.901 -3.455 -1.352 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.638 -5.008 -3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.536 -2.271 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.312 -3.138 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.140 -4.084 -1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.550 -3.374 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.918 -6.332 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.873 -7.374 -2.177 1.00 0.00 H new ATOM 1325 N ALA A 85 -8.854 -2.290 -4.218 1.00 0.00 N ATOM 1326 CA ALA A 85 -8.097 -1.566 -5.245 1.00 0.00 C ATOM 1327 C ALA A 85 -7.135 -2.483 -6.038 1.00 0.00 C ATOM 1328 O ALA A 85 -6.803 -2.180 -7.184 1.00 0.00 O ATOM 1329 CB ALA A 85 -7.362 -0.405 -4.565 1.00 0.00 C ATOM 0 H ALA A 85 -8.656 -1.970 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.789 -1.177 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.791 0.150 -5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.087 0.259 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.685 -0.798 -3.806 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.733 -3.622 -5.455 1.00 0.00 N ATOM 1336 CA LEU A 86 -5.923 -4.673 -6.092 1.00 0.00 C ATOM 1337 C LEU A 86 -6.729 -5.572 -7.052 1.00 0.00 C ATOM 1338 O LEU A 86 -6.139 -6.313 -7.839 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.288 -5.550 -4.994 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.437 -4.805 -3.947 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -4.032 -5.771 -2.827 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.183 -4.173 -4.562 1.00 0.00 C ATOM 0 H LEU A 86 -6.972 -3.846 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.164 -4.171 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.085 -6.082 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.662 -6.303 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.048 -3.997 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.430 -5.241 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.927 -6.168 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.450 -6.592 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.616 -3.660 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.564 -4.952 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.476 -3.458 -5.331 1.00 0.00 H new ATOM 1354 N LEU A 87 -8.068 -5.538 -6.991 1.00 0.00 N ATOM 1355 CA LEU A 87 -8.954 -6.329 -7.859 1.00 0.00 C ATOM 1356 C LEU A 87 -9.324 -5.584 -9.157 1.00 0.00 C ATOM 1357 O LEU A 87 -9.819 -6.205 -10.101 1.00 0.00 O ATOM 1358 CB LEU A 87 -10.218 -6.733 -7.072 1.00 0.00 C ATOM 1359 CG LEU A 87 -9.964 -7.467 -5.736 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -11.309 -7.802 -5.078 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -9.145 -8.754 -5.915 1.00 0.00 C ATOM 0 H LEU A 87 -8.574 -4.952 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.414 -7.226 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.800 -5.834 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.831 -7.373 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.381 -6.799 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.134 -8.320 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.861 -6.881 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.889 -8.443 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.996 -9.229 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.680 -9.437 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.177 -8.511 -6.352 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.081 -4.267 -9.216 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.370 -3.405 -10.368 1.00 0.00 C ATOM 1375 C GLY A 88 -8.182 -3.260 -11.325 1.00 0.00 C ATOM 1376 O GLY A 88 -7.025 -3.252 -10.904 1.00 0.00 O ATOM 0 H GLY A 88 -8.664 -3.757 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.221 -3.812 -10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.663 -2.418 -10.011 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.479 -3.091 -12.618 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.490 -2.840 -13.680 1.00 0.00 C ATOM 1382 C ALA A 89 -7.194 -1.339 -13.917 1.00 0.00 C ATOM 1383 O ALA A 89 -6.363 -1.003 -14.761 1.00 0.00 O ATOM 1384 CB ALA A 89 -7.994 -3.534 -14.954 1.00 0.00 C ATOM 0 H ALA A 89 -9.437 -3.125 -12.967 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.530 -3.252 -13.369 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.284 -3.368 -15.764 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.092 -4.604 -14.771 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.964 -3.123 -15.233 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.867 -0.446 -13.182 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.689 1.013 -13.192 1.00 0.00 C ATOM 1392 C GLU A 90 -7.171 1.522 -11.829 1.00 0.00 C ATOM 1393 O GLU A 90 -7.268 0.821 -10.817 1.00 0.00 O ATOM 1394 CB GLU A 90 -9.008 1.700 -13.596 1.00 0.00 C ATOM 1395 CG GLU A 90 -10.174 1.482 -12.620 1.00 0.00 C ATOM 1396 CD GLU A 90 -11.468 2.106 -13.167 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -11.703 3.321 -12.954 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -12.265 1.386 -13.813 1.00 0.00 O ATOM 0 H GLU A 90 -8.592 -0.738 -12.527 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.931 1.270 -13.933 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.829 2.771 -13.692 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.304 1.337 -14.580 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.321 0.415 -12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.932 1.924 -11.653 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.605 2.736 -11.795 1.00 0.00 N ATOM 1406 CA GLU A 91 -6.108 3.352 -10.555 1.00 0.00 C ATOM 1407 C GLU A 91 -7.224 3.672 -9.545 1.00 0.00 C ATOM 1408 O GLU A 91 -8.394 3.850 -9.908 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.193 4.557 -10.831 1.00 0.00 C ATOM 1410 CG GLU A 91 -5.812 5.697 -11.642 1.00 0.00 C ATOM 1411 CD GLU A 91 -6.168 6.938 -10.800 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -6.899 6.820 -9.788 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -5.748 8.057 -11.185 1.00 0.00 O ATOM 0 H GLU A 91 -6.479 3.318 -12.623 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.490 2.596 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.856 4.959 -9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.307 4.202 -11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.116 5.990 -12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.714 5.332 -12.134 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.843 3.716 -8.261 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.755 3.904 -7.126 1.00 0.00 C ATOM 1422 C ARG A 92 -7.025 4.507 -5.926 1.00 0.00 C ATOM 1423 O ARG A 92 -6.000 3.987 -5.476 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.431 2.560 -6.781 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.424 2.586 -5.602 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.585 3.576 -5.786 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.615 3.383 -4.748 1.00 0.00 N ATOM 1428 CZ ARG A 92 -12.642 4.189 -4.490 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -12.846 5.303 -5.165 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -13.496 3.877 -3.540 1.00 0.00 N ATOM 0 H ARG A 92 -5.868 3.619 -7.977 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.533 4.615 -7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.958 2.203 -7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.652 1.831 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.832 1.585 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.884 2.841 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.207 4.597 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.029 3.442 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.532 2.547 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.206 5.571 -5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.644 5.897 -4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.370 3.019 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.284 4.493 -3.340 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.599 5.582 -5.378 1.00 0.00 N ATOM 1445 CA LYS A 93 -7.153 6.258 -4.155 1.00 0.00 C ATOM 1446 C LYS A 93 -8.046 5.896 -2.946 1.00 0.00 C ATOM 1447 O LYS A 93 -9.268 5.848 -3.067 1.00 0.00 O ATOM 1448 CB LYS A 93 -7.102 7.782 -4.401 1.00 0.00 C ATOM 1449 CG LYS A 93 -6.286 8.130 -5.662 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.897 9.608 -5.797 1.00 0.00 C ATOM 1451 CE LYS A 93 -7.110 10.545 -5.665 1.00 0.00 C ATOM 1452 NZ LYS A 93 -6.748 11.969 -5.918 1.00 0.00 N ATOM 0 H LYS A 93 -8.421 6.023 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.150 5.913 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.116 8.168 -4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.661 8.276 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.377 7.529 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.862 7.840 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.162 9.859 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.420 9.769 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.884 10.237 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.533 10.451 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.594 12.565 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.029 12.272 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.368 12.065 -6.881 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.431 5.650 -1.785 1.00 0.00 N ATOM 1467 CA VAL A 94 -8.086 5.345 -0.488 1.00 0.00 C ATOM 1468 C VAL A 94 -7.430 6.208 0.587 1.00 0.00 C ATOM 1469 O VAL A 94 -6.204 6.301 0.619 1.00 0.00 O ATOM 1470 CB VAL A 94 -7.968 3.843 -0.109 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -8.640 3.528 1.231 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.541 2.978 -1.228 1.00 0.00 C ATOM 0 H VAL A 94 -6.414 5.656 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.150 5.565 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.910 3.612 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.531 2.466 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.169 4.113 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.699 3.780 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.455 1.926 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.591 3.229 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.987 3.161 -2.149 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.226 6.828 1.457 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.736 7.642 2.572 1.00 0.00 C ATOM 1484 C GLU A 95 -7.917 6.892 3.903 1.00 0.00 C ATOM 1485 O GLU A 95 -8.997 6.370 4.177 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.470 8.991 2.559 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.964 9.967 3.625 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.719 11.302 3.541 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.521 12.057 2.560 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.528 11.601 4.453 1.00 0.00 O ATOM 0 H GLU A 95 -9.244 6.779 1.408 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.668 7.831 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.358 9.448 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.535 8.818 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.095 9.531 4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.896 10.138 3.491 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.866 6.820 4.728 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.784 5.903 5.886 1.00 0.00 C ATOM 1499 C ILE A 96 -5.787 6.396 6.949 1.00 0.00 C ATOM 1500 O ILE A 96 -4.782 7.014 6.611 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.438 4.476 5.378 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.528 3.445 6.524 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.074 4.432 4.659 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.457 1.987 6.067 1.00 0.00 C ATOM 0 H ILE A 96 -6.035 7.401 4.615 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.753 5.877 6.384 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.184 4.201 4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.718 3.632 7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.463 3.599 7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.873 3.415 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.094 5.103 3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.290 4.747 5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.527 1.330 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.282 1.779 5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.511 1.812 5.555 1.00 0.00 H new ATOM 1516 N ALA A 97 -6.036 6.136 8.238 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.088 6.459 9.311 1.00 0.00 C ATOM 1518 C ALA A 97 -4.050 5.340 9.515 1.00 0.00 C ATOM 1519 O ALA A 97 -4.417 4.185 9.736 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.868 6.772 10.596 1.00 0.00 C ATOM 0 H ALA A 97 -6.897 5.698 8.566 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.517 7.343 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.169 7.013 11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.528 7.622 10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.462 5.904 10.882 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.767 5.705 9.480 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.612 4.860 9.788 1.00 0.00 C ATOM 1528 C PHE A 98 -0.917 5.321 11.081 1.00 0.00 C ATOM 1529 O PHE A 98 -0.852 6.520 11.365 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.604 4.941 8.627 1.00 0.00 C ATOM 1531 CG PHE A 98 -0.969 4.285 7.303 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -2.034 3.368 7.181 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.166 4.559 6.177 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.281 2.727 5.954 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.420 3.927 4.947 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.477 3.009 4.837 1.00 0.00 C ATOM 0 H PHE A 98 -2.491 6.652 9.221 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.961 3.837 9.925 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.407 5.995 8.432 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.332 4.500 8.969 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.662 3.157 8.034 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.651 5.260 6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.090 2.017 5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.197 4.147 4.088 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.672 2.520 3.894 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.340 4.372 11.827 1.00 0.00 N ATOM 1547 CA TYR A 99 0.602 4.652 12.924 1.00 0.00 C ATOM 1548 C TYR A 99 2.074 4.432 12.511 1.00 0.00 C ATOM 1549 O TYR A 99 2.380 3.577 11.675 1.00 0.00 O ATOM 1550 CB TYR A 99 0.231 3.847 14.190 1.00 0.00 C ATOM 1551 CG TYR A 99 0.969 2.532 14.417 1.00 0.00 C ATOM 1552 CD1 TYR A 99 0.857 1.483 13.488 1.00 0.00 C ATOM 1553 CD2 TYR A 99 1.779 2.362 15.558 1.00 0.00 C ATOM 1554 CE1 TYR A 99 1.546 0.274 13.681 1.00 0.00 C ATOM 1555 CE2 TYR A 99 2.483 1.158 15.757 1.00 0.00 C ATOM 1556 CZ TYR A 99 2.367 0.106 14.819 1.00 0.00 C ATOM 1557 OH TYR A 99 3.048 -1.062 15.020 1.00 0.00 O ATOM 0 H TYR A 99 -0.514 3.377 11.687 1.00 0.00 H new ATOM 0 HA TYR A 99 0.511 5.711 13.164 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.400 4.484 15.058 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.837 3.634 14.155 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.234 1.608 12.615 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.860 3.158 16.283 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.448 -0.525 12.961 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.112 1.038 16.627 1.00 0.00 H new ATOM 0 HH TYR A 99 3.563 -1.001 15.852 1.00 0.00 H new ATOM 1567 N ARG A 100 2.991 5.189 13.126 1.00 0.00 N ATOM 1568 CA ARG A 100 4.447 4.984 13.044 1.00 0.00 C ATOM 1569 C ARG A 100 4.964 4.043 14.138 1.00 0.00 C ATOM 1570 O ARG A 100 4.395 3.964 15.224 1.00 0.00 O ATOM 1571 CB ARG A 100 5.221 6.314 13.148 1.00 0.00 C ATOM 1572 CG ARG A 100 4.892 7.293 12.019 1.00 0.00 C ATOM 1573 CD ARG A 100 6.018 8.306 11.761 1.00 0.00 C ATOM 1574 NE ARG A 100 6.377 9.092 12.958 1.00 0.00 N ATOM 1575 CZ ARG A 100 7.473 9.826 13.113 1.00 0.00 C ATOM 1576 NH1 ARG A 100 8.392 9.938 12.173 1.00 0.00 N ATOM 1577 NH2 ARG A 100 7.646 10.472 14.244 1.00 0.00 N ATOM 0 H ARG A 100 2.736 5.984 13.712 1.00 0.00 H new ATOM 0 HA ARG A 100 4.622 4.532 12.068 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.995 6.784 14.105 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.291 6.106 13.139 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.697 6.733 11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.976 7.830 12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.901 7.776 11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.712 8.986 10.966 1.00 0.00 H new ATOM 0 HE ARG A 100 5.722 9.069 13.739 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.275 9.450 11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.219 10.513 12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.946 10.404 14.982 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.481 11.041 14.384 1.00 0.00 H new ATOM 1591 N LYS A 101 6.142 3.452 13.916 1.00 0.00 N ATOM 1592 CA LYS A 101 6.922 2.745 14.955 1.00 0.00 C ATOM 1593 C LYS A 101 7.296 3.661 16.146 1.00 0.00 C ATOM 1594 O LYS A 101 7.423 3.197 17.279 1.00 0.00 O ATOM 1595 CB LYS A 101 8.184 2.127 14.310 1.00 0.00 C ATOM 1596 CG LYS A 101 8.003 0.673 13.852 1.00 0.00 C ATOM 1597 CD LYS A 101 7.066 0.535 12.643 1.00 0.00 C ATOM 1598 CE LYS A 101 6.917 -0.927 12.193 1.00 0.00 C ATOM 1599 NZ LYS A 101 6.203 -1.779 13.190 1.00 0.00 N ATOM 0 H LYS A 101 6.592 3.447 13.001 1.00 0.00 H new ATOM 0 HA LYS A 101 6.296 1.954 15.369 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.475 2.734 13.453 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.005 2.172 15.026 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.977 0.254 13.599 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.608 0.084 14.680 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.085 0.938 12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.451 1.131 11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.377 -0.956 11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.906 -1.346 12.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.104 -2.744 12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.747 -1.806 14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.260 -1.381 13.374 1.00 0.00 H new ATOM 1613 N ASP A 102 7.406 4.971 15.897 1.00 0.00 N ATOM 1614 CA ASP A 102 7.613 6.033 16.896 1.00 0.00 C ATOM 1615 C ASP A 102 6.387 6.291 17.807 1.00 0.00 C ATOM 1616 O ASP A 102 6.502 7.014 18.799 1.00 0.00 O ATOM 1617 CB ASP A 102 7.973 7.329 16.149 1.00 0.00 C ATOM 1618 CG ASP A 102 9.264 7.197 15.327 1.00 0.00 C ATOM 1619 OD1 ASP A 102 10.359 7.461 15.881 1.00 0.00 O ATOM 1620 OD2 ASP A 102 9.176 6.829 14.131 1.00 0.00 O ATOM 0 H ASP A 102 7.351 5.340 14.948 1.00 0.00 H new ATOM 0 HA ASP A 102 8.414 5.703 17.557 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.151 7.603 15.487 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.086 8.140 16.869 1.00 0.00 H new ATOM 1625 N GLY A 103 5.217 5.728 17.472 1.00 0.00 N ATOM 1626 CA GLY A 103 3.944 5.917 18.184 1.00 0.00 C ATOM 1627 C GLY A 103 3.096 7.088 17.670 1.00 0.00 C ATOM 1628 O GLY A 103 2.005 7.322 18.189 1.00 0.00 O ATOM 0 H GLY A 103 5.128 5.106 16.669 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.359 5.000 18.107 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.154 6.074 19.242 1.00 0.00 H new ATOM 1632 N SER A 104 3.572 7.823 16.663 1.00 0.00 N ATOM 1633 CA SER A 104 2.843 8.936 16.021 1.00 0.00 C ATOM 1634 C SER A 104 1.754 8.418 15.064 1.00 0.00 C ATOM 1635 O SER A 104 1.910 7.333 14.504 1.00 0.00 O ATOM 1636 CB SER A 104 3.809 9.832 15.219 1.00 0.00 C ATOM 1637 OG SER A 104 5.164 9.738 15.659 1.00 0.00 O ATOM 0 H SER A 104 4.494 7.663 16.257 1.00 0.00 H new ATOM 0 HA SER A 104 2.377 9.512 16.821 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.757 9.558 14.165 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.480 10.868 15.296 1.00 0.00 H new ATOM 0 HG SER A 104 5.375 10.503 16.233 1.00 0.00 H new ATOM 1643 N CYS A 105 0.692 9.191 14.796 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.338 8.835 13.811 1.00 0.00 C ATOM 1645 C CYS A 105 -0.570 9.956 12.782 1.00 0.00 C ATOM 1646 O CYS A 105 -0.308 11.136 13.034 1.00 0.00 O ATOM 1647 CB CYS A 105 -1.643 8.468 14.537 1.00 0.00 C ATOM 1648 SG CYS A 105 -1.436 6.948 15.513 1.00 0.00 S ATOM 0 H CYS A 105 0.523 10.084 15.259 1.00 0.00 H new ATOM 0 HA CYS A 105 0.015 7.969 13.250 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.943 9.287 15.191 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.443 8.332 13.809 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.552 6.664 16.116 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.096 9.574 11.618 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.444 10.479 10.519 1.00 0.00 C ATOM 1656 C PHE A 106 -2.421 9.833 9.531 1.00 0.00 C ATOM 1657 O PHE A 106 -2.455 8.613 9.369 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.170 10.962 9.796 1.00 0.00 C ATOM 1659 CG PHE A 106 0.660 9.854 9.170 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.405 9.426 7.852 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.685 9.238 9.914 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.159 8.380 7.288 1.00 0.00 C ATOM 1663 CE2 PHE A 106 2.425 8.187 9.351 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.157 7.749 8.047 1.00 0.00 C ATOM 0 H PHE A 106 -1.298 8.597 11.406 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.950 11.342 10.951 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.456 11.668 9.017 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.451 11.506 10.507 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.372 9.902 7.272 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.901 9.574 10.917 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.970 8.063 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.206 7.713 9.926 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.718 6.927 7.627 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.190 10.669 8.830 1.00 0.00 N ATOM 1675 CA LEU A 107 -3.956 10.268 7.647 1.00 0.00 C ATOM 1676 C LEU A 107 -3.037 10.158 6.429 1.00 0.00 C ATOM 1677 O LEU A 107 -2.417 11.134 6.007 1.00 0.00 O ATOM 1678 CB LEU A 107 -5.067 11.292 7.351 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.473 10.991 7.904 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -7.004 9.623 7.463 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.507 11.090 9.431 1.00 0.00 C ATOM 0 H LEU A 107 -3.300 11.654 9.070 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.406 9.296 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.749 12.257 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.146 11.400 6.269 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.128 11.753 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.998 9.466 7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.060 9.588 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.333 8.841 7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.514 10.872 9.787 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.807 10.372 9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.224 12.097 9.737 1.00 0.00 H new ATOM 1693 N CYS A 108 -3.018 8.984 5.815 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.329 8.679 4.571 1.00 0.00 C ATOM 1695 C CYS A 108 -3.344 8.510 3.429 1.00 0.00 C ATOM 1696 O CYS A 108 -4.403 7.900 3.596 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.539 7.383 4.785 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.277 7.252 3.489 1.00 0.00 S ATOM 0 H CYS A 108 -3.510 8.175 6.193 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.655 9.491 4.297 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.071 7.384 5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.207 6.523 4.750 1.00 0.00 H new ATOM 0 HG CYS A 108 0.180 6.035 3.449 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.996 9.007 2.249 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.610 8.654 0.976 1.00 0.00 C ATOM 1706 C LEU A 109 -2.799 7.496 0.378 1.00 0.00 C ATOM 1707 O LEU A 109 -1.603 7.646 0.146 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.611 9.924 0.095 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.496 9.848 -1.164 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -4.815 11.264 -1.664 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -3.810 9.072 -2.295 1.00 0.00 C ATOM 0 H LEU A 109 -2.249 9.694 2.149 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.642 8.317 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.941 10.767 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.587 10.134 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.411 9.324 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.441 11.203 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.344 11.814 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.887 11.781 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.466 9.041 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.877 9.567 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.599 8.055 -1.963 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.455 6.365 0.121 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.919 5.234 -0.652 1.00 0.00 C ATOM 1725 C VAL A 110 -3.499 5.296 -2.070 1.00 0.00 C ATOM 1726 O VAL A 110 -4.700 5.098 -2.231 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.266 3.878 0.005 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.634 2.722 -0.783 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.796 3.816 1.469 1.00 0.00 C ATOM 0 H VAL A 110 -4.405 6.201 0.454 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.832 5.310 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.352 3.782 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.888 1.775 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.014 2.728 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.551 2.841 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.059 2.848 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.715 3.949 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.281 4.607 2.041 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.686 5.586 -3.089 1.00 0.00 N ATOM 1740 CA ASP A 111 -3.058 5.581 -4.503 1.00 0.00 C ATOM 1741 C ASP A 111 -2.413 4.370 -5.184 1.00 0.00 C ATOM 1742 O ASP A 111 -1.204 4.349 -5.389 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.596 6.906 -5.133 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.712 6.968 -6.668 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.607 6.301 -7.241 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -1.920 7.726 -7.275 1.00 0.00 O ATOM 0 H ASP A 111 -1.709 5.841 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.138 5.499 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.183 7.719 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.557 7.082 -4.854 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.205 3.360 -5.532 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.743 2.238 -6.366 1.00 0.00 C ATOM 1753 C VAL A 112 -2.722 2.712 -7.815 1.00 0.00 C ATOM 1754 O VAL A 112 -3.752 3.145 -8.330 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.700 1.043 -6.276 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -3.445 -0.061 -7.318 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -3.744 0.398 -4.888 1.00 0.00 C ATOM 0 H VAL A 112 -4.182 3.289 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.758 1.925 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.666 1.499 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -4.167 -0.865 -7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.551 0.354 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.436 -0.454 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.441 -0.440 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.750 0.040 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.073 1.134 -4.155 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.584 2.546 -8.484 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.442 2.754 -9.930 1.00 0.00 C ATOM 1769 C VAL A 113 -1.125 1.393 -10.573 1.00 0.00 C ATOM 1770 O VAL A 113 -0.086 0.813 -10.244 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.361 3.815 -10.229 1.00 0.00 C ATOM 1772 CG1 VAL A 113 -0.089 3.948 -11.736 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.775 5.190 -9.681 1.00 0.00 C ATOM 0 H VAL A 113 -0.716 2.258 -8.032 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.367 3.142 -10.357 1.00 0.00 H new ATOM 0 HB VAL A 113 0.550 3.477 -9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.678 4.705 -11.902 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.254 2.991 -12.130 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.006 4.242 -12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.003 5.920 -9.904 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.710 5.501 -10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.913 5.125 -8.602 1.00 0.00 H new ATOM 1783 N PRO A 114 -1.999 0.851 -11.446 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.773 -0.423 -12.115 1.00 0.00 C ATOM 1785 C PRO A 114 -0.745 -0.244 -13.233 1.00 0.00 C ATOM 1786 O PRO A 114 -0.895 0.612 -14.104 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.138 -0.860 -12.653 1.00 0.00 C ATOM 1788 CG PRO A 114 -3.853 0.463 -12.909 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.303 1.382 -11.821 1.00 0.00 C ATOM 0 HA PRO A 114 -1.370 -1.182 -11.445 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.041 -1.448 -13.565 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.676 -1.476 -11.932 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.639 0.848 -13.906 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.935 0.355 -12.834 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.214 2.405 -12.187 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.972 1.408 -10.961 1.00 0.00 H new ATOM 1797 N VAL A 115 0.294 -1.076 -13.202 1.00 0.00 N ATOM 1798 CA VAL A 115 1.326 -1.138 -14.255 1.00 0.00 C ATOM 1799 C VAL A 115 0.995 -2.275 -15.219 1.00 0.00 C ATOM 1800 O VAL A 115 0.973 -3.442 -14.823 1.00 0.00 O ATOM 1801 CB VAL A 115 2.743 -1.319 -13.664 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.822 -1.385 -14.758 1.00 0.00 C ATOM 1803 CG2 VAL A 115 3.086 -0.177 -12.696 1.00 0.00 C ATOM 0 H VAL A 115 0.452 -1.736 -12.441 1.00 0.00 H new ATOM 0 HA VAL A 115 1.325 -0.190 -14.792 1.00 0.00 H new ATOM 0 HB VAL A 115 2.733 -2.267 -13.127 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.801 -1.513 -14.296 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.620 -2.228 -15.418 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.811 -0.461 -15.336 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.088 -0.329 -12.295 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.048 0.774 -13.227 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.366 -0.165 -11.878 1.00 0.00 H new ATOM 1813 N LYS A 116 0.771 -1.942 -16.493 1.00 0.00 N ATOM 1814 CA LYS A 116 0.613 -2.922 -17.575 1.00 0.00 C ATOM 1815 C LYS A 116 1.955 -3.309 -18.223 1.00 0.00 C ATOM 1816 O LYS A 116 2.909 -2.528 -18.236 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.379 -2.414 -18.636 1.00 0.00 C ATOM 1818 CG LYS A 116 -1.807 -2.368 -18.077 1.00 0.00 C ATOM 1819 CD LYS A 116 -2.826 -1.999 -19.164 1.00 0.00 C ATOM 1820 CE LYS A 116 -4.172 -2.658 -18.829 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.205 -2.366 -19.862 1.00 0.00 N ATOM 0 H LYS A 116 0.693 -0.975 -16.807 1.00 0.00 H new ATOM 0 HA LYS A 116 0.207 -3.827 -17.122 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.083 -1.419 -18.969 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.348 -3.065 -19.510 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.063 -3.338 -17.651 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.858 -1.641 -17.267 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.940 -0.917 -19.221 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.475 -2.335 -20.140 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.037 -3.736 -18.745 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.519 -2.303 -17.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.099 -2.828 -19.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.352 -1.338 -19.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.886 -2.727 -20.784 1.00 0.00 H new ATOM 1835 N ASN A 117 2.007 -4.519 -18.786 1.00 0.00 N ATOM 1836 CA ASN A 117 3.157 -5.040 -19.530 1.00 0.00 C ATOM 1837 C ASN A 117 3.030 -4.768 -21.041 1.00 0.00 C ATOM 1838 O ASN A 117 2.084 -4.127 -21.500 1.00 0.00 O ATOM 1839 CB ASN A 117 3.356 -6.535 -19.190 1.00 0.00 C ATOM 1840 CG ASN A 117 2.454 -7.484 -19.968 1.00 0.00 C ATOM 1841 OD1 ASN A 117 2.883 -8.090 -20.938 1.00 0.00 O ATOM 1842 ND2 ASN A 117 1.188 -7.608 -19.620 1.00 0.00 N ATOM 0 H ASN A 117 1.232 -5.180 -18.736 1.00 0.00 H new ATOM 0 HA ASN A 117 4.058 -4.510 -19.221 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.395 -6.803 -19.381 1.00 0.00 H new ATOM 0 HB3 ASN A 117 3.180 -6.679 -18.124 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.567 -8.210 -20.161 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.830 -7.102 -18.810 1.00 0.00 H new ATOM 1849 N GLU A 118 3.964 -5.324 -21.809 1.00 0.00 N ATOM 1850 CA GLU A 118 4.029 -5.220 -23.276 1.00 0.00 C ATOM 1851 C GLU A 118 2.803 -5.799 -24.020 1.00 0.00 C ATOM 1852 O GLU A 118 2.543 -5.406 -25.159 1.00 0.00 O ATOM 1853 CB GLU A 118 5.330 -5.870 -23.780 1.00 0.00 C ATOM 1854 CG GLU A 118 5.501 -7.335 -23.350 1.00 0.00 C ATOM 1855 CD GLU A 118 6.723 -7.971 -24.030 1.00 0.00 C ATOM 1856 OE1 GLU A 118 6.598 -8.486 -25.166 1.00 0.00 O ATOM 1857 OE2 GLU A 118 7.828 -7.956 -23.435 1.00 0.00 O ATOM 0 H GLU A 118 4.726 -5.880 -21.420 1.00 0.00 H new ATOM 0 HA GLU A 118 4.019 -4.155 -23.507 1.00 0.00 H new ATOM 0 HB2 GLU A 118 5.354 -5.816 -24.868 1.00 0.00 H new ATOM 0 HB3 GLU A 118 6.179 -5.293 -23.414 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.614 -7.389 -22.267 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.604 -7.899 -23.605 1.00 0.00 H new ATOM 1864 N ASP A 119 2.028 -6.696 -23.396 1.00 0.00 N ATOM 1865 CA ASP A 119 0.799 -7.284 -23.959 1.00 0.00 C ATOM 1866 C ASP A 119 -0.484 -6.527 -23.545 1.00 0.00 C ATOM 1867 O ASP A 119 -1.587 -6.907 -23.949 1.00 0.00 O ATOM 1868 CB ASP A 119 0.707 -8.772 -23.566 1.00 0.00 C ATOM 1869 CG ASP A 119 1.775 -9.644 -24.250 1.00 0.00 C ATOM 1870 OD1 ASP A 119 1.819 -9.672 -25.505 1.00 0.00 O ATOM 1871 OD2 ASP A 119 2.532 -10.349 -23.540 1.00 0.00 O ATOM 0 H ASP A 119 2.242 -7.044 -22.461 1.00 0.00 H new ATOM 0 HA ASP A 119 0.866 -7.192 -25.043 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.810 -8.863 -22.485 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -0.282 -9.150 -23.825 1.00 0.00 H new ATOM 1876 N GLY A 120 -0.358 -5.466 -22.735 1.00 0.00 N ATOM 1877 CA GLY A 120 -1.479 -4.622 -22.298 1.00 0.00 C ATOM 1878 C GLY A 120 -2.316 -5.215 -21.159 1.00 0.00 C ATOM 1879 O GLY A 120 -3.462 -4.806 -20.984 1.00 0.00 O ATOM 0 H GLY A 120 0.541 -5.165 -22.359 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.087 -3.656 -21.979 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.131 -4.435 -23.152 1.00 0.00 H new ATOM 1883 N ALA A 121 -1.758 -6.146 -20.377 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.359 -6.692 -19.151 1.00 0.00 C ATOM 1885 C ALA A 121 -1.619 -6.151 -17.920 1.00 0.00 C ATOM 1886 O ALA A 121 -0.414 -5.916 -17.996 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.313 -8.228 -19.203 1.00 0.00 C ATOM 0 H ALA A 121 -0.847 -6.554 -20.585 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.401 -6.381 -19.077 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.758 -8.636 -18.295 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.871 -8.580 -20.071 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.277 -8.559 -19.280 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.306 -5.961 -16.794 1.00 0.00 N ATOM 1894 CA VAL A 122 -1.692 -5.478 -15.536 1.00 0.00 C ATOM 1895 C VAL A 122 -0.941 -6.619 -14.839 1.00 0.00 C ATOM 1896 O VAL A 122 -1.499 -7.689 -14.605 1.00 0.00 O ATOM 1897 CB VAL A 122 -2.688 -4.736 -14.610 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -3.987 -5.513 -14.387 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -2.076 -4.345 -13.253 1.00 0.00 C ATOM 0 H VAL A 122 -3.308 -6.135 -16.718 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.959 -4.715 -15.798 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.928 -3.819 -15.148 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.644 -4.943 -13.730 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.483 -5.676 -15.344 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.761 -6.475 -13.927 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.824 -3.829 -12.652 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.746 -5.243 -12.730 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.223 -3.686 -13.415 1.00 0.00 H new ATOM 1909 N ILE A 123 0.339 -6.377 -14.529 1.00 0.00 N ATOM 1910 CA ILE A 123 1.255 -7.385 -13.940 1.00 0.00 C ATOM 1911 C ILE A 123 1.926 -6.934 -12.638 1.00 0.00 C ATOM 1912 O ILE A 123 2.303 -7.774 -11.828 1.00 0.00 O ATOM 1913 CB ILE A 123 2.301 -7.876 -14.967 1.00 0.00 C ATOM 1914 CG1 ILE A 123 3.496 -6.931 -15.233 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.631 -8.317 -16.280 1.00 0.00 C ATOM 1916 CD1 ILE A 123 3.212 -5.486 -15.656 1.00 0.00 C ATOM 0 H ILE A 123 0.780 -5.470 -14.678 1.00 0.00 H new ATOM 0 HA ILE A 123 0.617 -8.226 -13.668 1.00 0.00 H new ATOM 0 HB ILE A 123 2.757 -8.739 -14.482 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.099 -6.897 -14.326 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.112 -7.387 -16.008 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.393 -8.657 -16.981 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.935 -9.131 -16.078 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.089 -7.476 -16.712 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.154 -4.958 -15.803 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.646 -5.484 -16.588 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.633 -4.987 -14.879 1.00 0.00 H new ATOM 1928 N MET A 124 2.020 -5.625 -12.400 1.00 0.00 N ATOM 1929 CA MET A 124 2.413 -5.031 -11.109 1.00 0.00 C ATOM 1930 C MET A 124 1.459 -3.910 -10.676 1.00 0.00 C ATOM 1931 O MET A 124 0.908 -3.184 -11.504 1.00 0.00 O ATOM 1932 CB MET A 124 3.847 -4.485 -11.198 1.00 0.00 C ATOM 1933 CG MET A 124 4.895 -5.596 -11.328 1.00 0.00 C ATOM 1934 SD MET A 124 6.548 -4.994 -11.762 1.00 0.00 S ATOM 1935 CE MET A 124 6.286 -4.632 -13.519 1.00 0.00 C ATOM 0 H MET A 124 1.821 -4.925 -13.115 1.00 0.00 H new ATOM 0 HA MET A 124 2.361 -5.819 -10.358 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.924 -3.816 -12.055 1.00 0.00 H new ATOM 0 HB3 MET A 124 4.061 -3.891 -10.310 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.953 -6.141 -10.386 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.566 -6.306 -12.087 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.864 -5.330 -14.124 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.227 -4.734 -13.758 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.609 -3.613 -13.733 1.00 0.00 H new ATOM 1945 N PHE A 125 1.324 -3.719 -9.365 1.00 0.00 N ATOM 1946 CA PHE A 125 0.714 -2.541 -8.745 1.00 0.00 C ATOM 1947 C PHE A 125 1.805 -1.694 -8.094 1.00 0.00 C ATOM 1948 O PHE A 125 2.638 -2.216 -7.358 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.313 -2.998 -7.696 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.529 -3.682 -8.288 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.418 -2.947 -9.095 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.773 -5.045 -8.036 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.542 -3.577 -9.659 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -2.898 -5.673 -8.599 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.775 -4.940 -9.419 1.00 0.00 C ATOM 0 H PHE A 125 1.647 -4.403 -8.680 1.00 0.00 H new ATOM 0 HA PHE A 125 0.205 -1.940 -9.498 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.173 -3.681 -6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.639 -2.132 -7.119 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.237 -1.899 -9.281 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.096 -5.608 -7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.225 -3.012 -10.276 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.089 -6.718 -8.402 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.630 -5.427 -9.865 1.00 0.00 H new ATOM 1965 N ILE A 126 1.772 -0.381 -8.321 1.00 0.00 N ATOM 1966 CA ILE A 126 2.508 0.589 -7.496 1.00 0.00 C ATOM 1967 C ILE A 126 1.504 1.126 -6.482 1.00 0.00 C ATOM 1968 O ILE A 126 0.510 1.715 -6.903 1.00 0.00 O ATOM 1969 CB ILE A 126 3.103 1.735 -8.354 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.062 1.203 -9.441 1.00 0.00 C ATOM 1971 CG2 ILE A 126 3.841 2.740 -7.445 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.390 2.245 -10.519 1.00 0.00 C ATOM 0 H ILE A 126 1.237 0.044 -9.079 1.00 0.00 H new ATOM 0 HA ILE A 126 3.357 0.116 -7.004 1.00 0.00 H new ATOM 0 HB ILE A 126 2.277 2.234 -8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.988 0.873 -8.970 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.616 0.328 -9.914 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.257 3.543 -8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.141 3.158 -6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.647 2.230 -6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.068 1.809 -11.253 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.471 2.557 -11.015 1.00 0.00 H new ATOM 0 HD13 ILE A 126 4.864 3.110 -10.056 1.00 0.00 H new ATOM 1984 N LEU A 127 1.736 0.939 -5.184 1.00 0.00 N ATOM 1985 CA LEU A 127 0.959 1.608 -4.139 1.00 0.00 C ATOM 1986 C LEU A 127 1.741 2.836 -3.711 1.00 0.00 C ATOM 1987 O LEU A 127 2.867 2.698 -3.240 1.00 0.00 O ATOM 1988 CB LEU A 127 0.705 0.672 -2.940 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.599 -0.122 -3.105 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -0.477 -1.167 -4.227 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -1.024 -0.776 -1.787 1.00 0.00 C ATOM 0 H LEU A 127 2.465 0.322 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.021 1.891 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.541 -0.019 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.660 1.259 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.379 0.584 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.416 -1.713 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.255 -0.665 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.326 -1.864 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.950 -1.330 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.243 -1.459 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.181 -0.005 -1.032 1.00 0.00 H new ATOM 2003 N ASN A 128 1.154 4.020 -3.881 1.00 0.00 N ATOM 2004 CA ASN A 128 1.805 5.269 -3.451 1.00 0.00 C ATOM 2005 C ASN A 128 1.197 5.782 -2.142 1.00 0.00 C ATOM 2006 O ASN A 128 -0.012 5.987 -2.080 1.00 0.00 O ATOM 2007 CB ASN A 128 1.768 6.379 -4.513 1.00 0.00 C ATOM 2008 CG ASN A 128 2.086 5.942 -5.939 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.182 6.142 -6.446 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.125 5.366 -6.634 1.00 0.00 N ATOM 0 H ASN A 128 0.237 4.147 -4.309 1.00 0.00 H new ATOM 0 HA ASN A 128 2.853 5.015 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 128 0.777 6.832 -4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.476 7.156 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.293 5.084 -7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.214 5.202 -6.206 1.00 0.00 H new ATOM 2017 N PHE A 129 2.026 6.004 -1.119 1.00 0.00 N ATOM 2018 CA PHE A 129 1.629 6.506 0.193 1.00 0.00 C ATOM 2019 C PHE A 129 1.944 8.006 0.299 1.00 0.00 C ATOM 2020 O PHE A 129 3.071 8.430 0.054 1.00 0.00 O ATOM 2021 CB PHE A 129 2.370 5.698 1.274 1.00 0.00 C ATOM 2022 CG PHE A 129 2.273 4.181 1.190 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.101 3.549 0.731 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.367 3.396 1.602 1.00 0.00 C ATOM 2025 CE1 PHE A 129 1.013 2.146 0.712 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.284 1.992 1.572 1.00 0.00 C ATOM 2027 CZ PHE A 129 2.102 1.368 1.136 1.00 0.00 C ATOM 0 H PHE A 129 3.029 5.832 -1.187 1.00 0.00 H new ATOM 0 HA PHE A 129 0.555 6.385 0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.424 5.973 1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.992 6.008 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.266 4.145 0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.274 3.874 1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.107 1.667 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.128 1.394 1.884 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.032 0.290 1.127 1.00 0.00 H new ATOM 2037 N GLU A 130 0.959 8.824 0.663 1.00 0.00 N ATOM 2038 CA GLU A 130 1.055 10.285 0.663 1.00 0.00 C ATOM 2039 C GLU A 130 0.311 10.816 1.898 1.00 0.00 C ATOM 2040 O GLU A 130 -0.915 10.811 1.931 1.00 0.00 O ATOM 2041 CB GLU A 130 0.438 10.811 -0.656 1.00 0.00 C ATOM 2042 CG GLU A 130 1.413 10.704 -1.845 1.00 0.00 C ATOM 2043 CD GLU A 130 0.782 11.123 -3.187 1.00 0.00 C ATOM 2044 OE1 GLU A 130 0.228 12.245 -3.278 1.00 0.00 O ATOM 2045 OE2 GLU A 130 0.877 10.349 -4.172 1.00 0.00 O ATOM 0 H GLU A 130 0.049 8.483 0.974 1.00 0.00 H new ATOM 0 HA GLU A 130 2.089 10.626 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.467 10.247 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.141 11.852 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.284 11.329 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.769 9.677 -1.923 1.00 0.00 H new ATOM 2052 N VAL A 131 1.027 11.240 2.947 1.00 0.00 N ATOM 2053 CA VAL A 131 0.402 11.789 4.172 1.00 0.00 C ATOM 2054 C VAL A 131 -0.404 13.055 3.843 1.00 0.00 C ATOM 2055 O VAL A 131 0.146 14.054 3.382 1.00 0.00 O ATOM 2056 CB VAL A 131 1.395 11.989 5.346 1.00 0.00 C ATOM 2057 CG1 VAL A 131 2.698 12.687 4.945 1.00 0.00 C ATOM 2058 CG2 VAL A 131 0.756 12.725 6.536 1.00 0.00 C ATOM 0 H VAL A 131 2.046 11.216 2.978 1.00 0.00 H new ATOM 0 HA VAL A 131 -0.294 11.035 4.540 1.00 0.00 H new ATOM 0 HB VAL A 131 1.653 10.976 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.340 12.790 5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 131 3.210 12.094 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 131 2.473 13.674 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.493 12.840 7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.414 13.708 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.092 12.149 6.907 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.718 12.976 4.069 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.698 14.020 3.714 1.00 0.00 C ATOM 2070 C VAL A 132 -3.041 14.951 4.890 1.00 0.00 C ATOM 2071 O VAL A 132 -3.329 16.124 4.657 1.00 0.00 O ATOM 2072 CB VAL A 132 -3.958 13.403 3.058 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -4.899 12.681 4.016 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.734 14.436 2.225 1.00 0.00 C ATOM 0 H VAL A 132 -2.146 12.165 4.515 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.222 14.660 2.971 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.559 12.632 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.749 12.285 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.367 11.861 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.254 13.380 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.610 13.962 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.051 15.257 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.091 14.822 1.434 1.00 0.00 H new ATOM 2084 N MET A 133 -2.935 14.471 6.141 1.00 0.00 N ATOM 2085 CA MET A 133 -2.954 15.309 7.357 1.00 0.00 C ATOM 2086 C MET A 133 -2.372 14.587 8.582 1.00 0.00 C ATOM 2087 O MET A 133 -2.521 13.378 8.718 1.00 0.00 O ATOM 2088 CB MET A 133 -4.350 15.899 7.653 1.00 0.00 C ATOM 2089 CG MET A 133 -5.419 14.845 7.964 1.00 0.00 C ATOM 2090 SD MET A 133 -7.053 15.497 8.399 1.00 0.00 S ATOM 2091 CE MET A 133 -7.603 16.059 6.768 1.00 0.00 C ATOM 0 H MET A 133 -2.832 13.476 6.341 1.00 0.00 H new ATOM 0 HA MET A 133 -2.296 16.151 7.144 1.00 0.00 H new ATOM 0 HB2 MET A 133 -4.272 16.583 8.498 1.00 0.00 H new ATOM 0 HB3 MET A 133 -4.674 16.488 6.795 1.00 0.00 H new ATOM 0 HG2 MET A 133 -5.526 14.194 7.096 1.00 0.00 H new ATOM 0 HG3 MET A 133 -5.064 14.224 8.787 1.00 0.00 H new ATOM 0 HE1 MET A 133 -7.848 17.120 6.812 1.00 0.00 H new ATOM 0 HE2 MET A 133 -6.807 15.900 6.041 1.00 0.00 H new ATOM 0 HE3 MET A 133 -8.486 15.495 6.468 1.00 0.00 H new ATOM 2101 N GLU A 134 -1.726 15.320 9.487 1.00 0.00 N ATOM 2102 CA GLU A 134 -1.164 14.773 10.727 1.00 0.00 C ATOM 2103 C GLU A 134 -2.205 14.803 11.860 1.00 0.00 C ATOM 2104 O GLU A 134 -2.884 15.816 12.061 1.00 0.00 O ATOM 2105 CB GLU A 134 0.102 15.560 11.101 1.00 0.00 C ATOM 2106 CG GLU A 134 0.859 14.951 12.288 1.00 0.00 C ATOM 2107 CD GLU A 134 2.138 15.747 12.581 1.00 0.00 C ATOM 2108 OE1 GLU A 134 2.084 16.725 13.363 1.00 0.00 O ATOM 2109 OE2 GLU A 134 3.211 15.401 12.033 1.00 0.00 O ATOM 0 H GLU A 134 -1.575 16.323 9.381 1.00 0.00 H new ATOM 0 HA GLU A 134 -0.892 13.729 10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.765 15.602 10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.173 16.587 11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.218 14.945 13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 134 1.112 13.913 12.071 1.00 0.00 H new ATOM 2116 N LYS A 135 -2.317 13.690 12.598 1.00 0.00 N ATOM 2117 CA LYS A 135 -3.205 13.525 13.766 1.00 0.00 C ATOM 2118 C LYS A 135 -2.430 13.503 15.096 1.00 0.00 C ATOM 2119 O LYS A 135 -2.329 14.581 15.726 1.00 0.00 O ATOM 2120 CB LYS A 135 -4.081 12.273 13.566 1.00 0.00 C ATOM 2121 CG LYS A 135 -5.173 12.450 12.491 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.290 13.418 12.925 1.00 0.00 C ATOM 2123 CE LYS A 135 -7.413 13.484 11.877 1.00 0.00 C ATOM 2124 NZ LYS A 135 -8.500 14.417 12.286 1.00 0.00 N ATOM 2125 OXT LYS A 135 -1.947 12.433 15.527 1.00 0.00 O ATOM 0 H LYS A 135 -1.776 12.850 12.395 1.00 0.00 H new ATOM 0 HA LYS A 135 -3.858 14.395 13.835 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.443 11.434 13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.554 12.015 14.514 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.716 12.819 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -5.610 11.478 12.261 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -6.701 13.096 13.882 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -5.873 14.413 13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.999 13.805 10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.828 12.487 11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -9.238 14.433 11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -8.912 14.097 13.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -8.110 15.374 12.406 1.00 0.00 H new