USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 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 40 LYS NZ :NH3+ -155:sc= -0.0239 (180deg=-1.12) USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -90:sc= -3.21! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -150:sc= -3.29! (180deg=-3.89!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -8.35! C(o=-13!,f=-8.4!) USER MOD Single : A 32 LYS NZ :NH3+ -148:sc= -0.382 (180deg=-1.42!) USER MOD Single : A 34 TYR OH : rot 15:sc= -2.43! USER MOD Single : A 36 SER OG : rot -107:sc= 0.579 USER MOD Single : A 41 GLN : amide:sc= -2.1! C(o=-2.1!,f=-2.5!) USER MOD Single : A 42 MET CE :methyl -122:sc= -1.04 (180deg=-1.93) USER MOD Single : A 44 SER OG : rot 72:sc= 1.11 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -68:sc= 0.291 USER MOD Single : A 48 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.76) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -4.12! C(o=-4.1!,f=-3.7!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.632 F(o=-1.6,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 14 -10.023 -6.015 2.930 1.00 0.00 N ATOM 178 CA LEU A 14 -8.995 -6.401 3.890 1.00 0.00 C ATOM 179 C LEU A 14 -9.003 -5.471 5.100 1.00 0.00 C ATOM 180 O LEU A 14 -9.310 -4.283 4.999 1.00 0.00 O ATOM 181 CB LEU A 14 -7.617 -6.381 3.227 1.00 0.00 C ATOM 182 CG LEU A 14 -7.539 -6.982 1.823 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.344 -6.422 1.067 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.461 -8.500 1.897 1.00 0.00 C ATOM 0 HA LEU A 14 -9.213 -7.413 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.275 -5.347 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.919 -6.918 3.870 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.445 -6.710 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.305 -6.862 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.441 -5.340 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.427 -6.663 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.406 -8.911 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.572 -8.792 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.349 -8.886 2.398 1.00 0.00 H new ATOM 196 N PRO A 15 -8.655 -6.022 6.272 1.00 0.00 N ATOM 197 CA PRO A 15 -8.612 -5.260 7.523 1.00 0.00 C ATOM 198 C PRO A 15 -7.469 -4.250 7.547 1.00 0.00 C ATOM 199 O PRO A 15 -6.364 -4.538 7.089 1.00 0.00 O ATOM 200 CB PRO A 15 -8.395 -6.338 8.588 1.00 0.00 C ATOM 201 CG PRO A 15 -7.726 -7.455 7.865 1.00 0.00 C ATOM 202 CD PRO A 15 -8.277 -7.432 6.466 1.00 0.00 C ATOM 0 HA PRO A 15 -9.516 -4.670 7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.776 -5.968 9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.341 -6.659 9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.644 -7.324 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.929 -8.410 8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.534 -7.753 5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.135 -8.096 6.361 1.00 0.00 H new ATOM 210 N ALA A 16 -7.743 -3.066 8.086 1.00 0.00 N ATOM 211 CA ALA A 16 -6.738 -2.015 8.172 1.00 0.00 C ATOM 212 C ALA A 16 -5.356 -2.598 8.446 1.00 0.00 C ATOM 213 O ALA A 16 -4.451 -2.489 7.619 1.00 0.00 O ATOM 214 CB ALA A 16 -7.113 -1.012 9.253 1.00 0.00 C ATOM 0 H ALA A 16 -8.653 -2.811 8.470 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.703 -1.501 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.353 -0.233 9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.077 -0.563 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.178 -1.521 10.215 1.00 0.00 H new ATOM 220 N GLU A 17 -5.200 -3.217 9.612 1.00 0.00 N ATOM 221 CA GLU A 17 -3.927 -3.816 9.995 1.00 0.00 C ATOM 222 C GLU A 17 -3.215 -4.404 8.780 1.00 0.00 C ATOM 223 O GLU A 17 -2.045 -4.114 8.533 1.00 0.00 O ATOM 224 CB GLU A 17 -4.146 -4.905 11.047 1.00 0.00 C ATOM 225 CG GLU A 17 -5.112 -5.992 10.606 1.00 0.00 C ATOM 226 CD GLU A 17 -5.448 -6.962 11.722 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.066 -6.531 12.718 1.00 0.00 O ATOM 228 OE2 GLU A 17 -5.091 -8.153 11.600 1.00 0.00 O ATOM 0 H GLU A 17 -5.939 -3.317 10.308 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.299 -3.032 10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.186 -5.361 11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.522 -4.445 11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.030 -5.531 10.242 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.678 -6.541 9.771 1.00 0.00 H new ATOM 235 N SER A 18 -3.931 -5.231 8.025 1.00 0.00 N ATOM 236 CA SER A 18 -3.367 -5.863 6.838 1.00 0.00 C ATOM 237 C SER A 18 -3.130 -4.835 5.735 1.00 0.00 C ATOM 238 O SER A 18 -2.107 -4.865 5.052 1.00 0.00 O ATOM 239 CB SER A 18 -4.299 -6.966 6.330 1.00 0.00 C ATOM 240 OG SER A 18 -4.098 -7.207 4.949 1.00 0.00 O ATOM 0 H SER A 18 -4.902 -5.479 8.214 1.00 0.00 H new ATOM 0 HA SER A 18 -2.409 -6.304 7.112 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.122 -7.883 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.336 -6.680 6.505 1.00 0.00 H new ATOM 0 HG SER A 18 -4.692 -6.629 4.426 1.00 0.00 H new ATOM 246 N VAL A 19 -4.085 -3.926 5.568 1.00 0.00 N ATOM 247 CA VAL A 19 -3.982 -2.887 4.550 1.00 0.00 C ATOM 248 C VAL A 19 -2.685 -2.099 4.699 1.00 0.00 C ATOM 249 O VAL A 19 -1.921 -1.952 3.744 1.00 0.00 O ATOM 250 CB VAL A 19 -5.173 -1.913 4.619 1.00 0.00 C ATOM 251 CG1 VAL A 19 -4.984 -0.768 3.634 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.478 -2.647 4.352 1.00 0.00 C ATOM 0 H VAL A 19 -4.939 -3.888 6.125 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.990 -3.389 3.583 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.219 -1.493 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.835 -0.090 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.070 -0.226 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.912 -1.167 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.309 -1.943 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.446 -3.097 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.616 -3.428 5.100 1.00 0.00 H new ATOM 262 N LYS A 20 -2.442 -1.593 5.903 1.00 0.00 N ATOM 263 CA LYS A 20 -1.236 -0.821 6.180 1.00 0.00 C ATOM 264 C LYS A 20 -0.026 -1.432 5.482 1.00 0.00 C ATOM 265 O LYS A 20 0.799 -0.719 4.910 1.00 0.00 O ATOM 266 CB LYS A 20 -0.987 -0.749 7.688 1.00 0.00 C ATOM 267 CG LYS A 20 0.318 -0.064 8.057 1.00 0.00 C ATOM 268 CD LYS A 20 0.276 0.490 9.471 1.00 0.00 C ATOM 269 CE LYS A 20 -0.592 1.736 9.556 1.00 0.00 C ATOM 270 NZ LYS A 20 -0.345 2.500 10.811 1.00 0.00 N ATOM 0 H LYS A 20 -3.065 -1.704 6.703 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.384 0.188 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.813 -0.216 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.985 -1.760 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.141 -0.774 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.517 0.745 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.110 -0.271 10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.288 0.727 9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.394 2.376 8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.643 1.451 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.956 3.342 10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.558 1.898 11.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.652 2.795 10.848 1.00 0.00 H new ATOM 284 N ILE A 21 0.073 -2.756 5.532 1.00 0.00 N ATOM 285 CA ILE A 21 1.182 -3.463 4.902 1.00 0.00 C ATOM 286 C ILE A 21 1.189 -3.241 3.393 1.00 0.00 C ATOM 287 O ILE A 21 2.230 -2.951 2.802 1.00 0.00 O ATOM 288 CB ILE A 21 1.120 -4.975 5.187 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.310 -5.243 6.682 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.174 -5.711 4.373 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.013 -5.276 7.459 1.00 0.00 C ATOM 0 H ILE A 21 -0.601 -3.361 6.002 1.00 0.00 H new ATOM 0 HA ILE A 21 2.099 -3.058 5.331 1.00 0.00 H new ATOM 0 HB ILE A 21 0.138 -5.345 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.825 -6.195 6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.956 -4.472 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.118 -6.779 4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.997 -5.542 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.164 -5.340 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.224 -5.470 8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.494 -4.316 7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.627 -6.066 7.065 1.00 0.00 H new ATOM 303 N LEU A 22 0.021 -3.378 2.776 1.00 0.00 N ATOM 304 CA LEU A 22 -0.109 -3.190 1.335 1.00 0.00 C ATOM 305 C LEU A 22 0.044 -1.719 0.961 1.00 0.00 C ATOM 306 O LEU A 22 0.909 -1.359 0.162 1.00 0.00 O ATOM 307 CB LEU A 22 -1.464 -3.712 0.853 1.00 0.00 C ATOM 308 CG LEU A 22 -1.673 -5.224 0.948 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.038 -5.609 0.398 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.569 -5.963 0.206 1.00 0.00 C ATOM 0 H LEU A 22 -0.849 -3.618 3.250 1.00 0.00 H new ATOM 0 HA LEU A 22 0.686 -3.754 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.247 -3.220 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.598 -3.411 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.632 -5.512 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.169 -6.688 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.817 -5.107 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.107 -5.307 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.734 -7.038 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.577 -5.670 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.396 -5.711 0.645 1.00 0.00 H new ATOM 322 N ARG A 23 -0.799 -0.875 1.545 1.00 0.00 N ATOM 323 CA ARG A 23 -0.757 0.557 1.274 1.00 0.00 C ATOM 324 C ARG A 23 0.677 1.078 1.327 1.00 0.00 C ATOM 325 O ARG A 23 1.145 1.731 0.394 1.00 0.00 O ATOM 326 CB ARG A 23 -1.623 1.315 2.282 1.00 0.00 C ATOM 327 CG ARG A 23 -3.066 1.488 1.836 1.00 0.00 C ATOM 328 CD ARG A 23 -3.764 2.585 2.624 1.00 0.00 C ATOM 329 NE ARG A 23 -3.133 3.888 2.426 1.00 0.00 N ATOM 330 CZ ARG A 23 -3.737 5.043 2.680 1.00 0.00 C ATOM 331 NH1 ARG A 23 -4.981 5.058 3.140 1.00 0.00 N ATOM 332 NH2 ARG A 23 -3.097 6.187 2.474 1.00 0.00 N ATOM 0 H ARG A 23 -1.520 -1.158 2.209 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.150 0.723 0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.607 0.784 3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.185 2.298 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.093 1.728 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.603 0.548 1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.810 2.639 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.751 2.334 3.685 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.176 3.912 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.476 4.181 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.442 5.947 3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.140 6.180 2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.562 7.074 2.669 1.00 0.00 H new ATOM 346 N ASP A 24 1.367 0.786 2.423 1.00 0.00 N ATOM 347 CA ASP A 24 2.747 1.224 2.597 1.00 0.00 C ATOM 348 C ASP A 24 3.553 1.002 1.321 1.00 0.00 C ATOM 349 O ASP A 24 4.329 1.864 0.908 1.00 0.00 O ATOM 350 CB ASP A 24 3.398 0.477 3.763 1.00 0.00 C ATOM 351 CG ASP A 24 4.635 1.183 4.283 1.00 0.00 C ATOM 352 OD1 ASP A 24 4.631 2.431 4.333 1.00 0.00 O ATOM 353 OD2 ASP A 24 5.608 0.487 4.642 1.00 0.00 O ATOM 0 H ASP A 24 0.994 0.248 3.205 1.00 0.00 H new ATOM 0 HA ASP A 24 2.738 2.291 2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.676 0.372 4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.665 -0.530 3.442 1.00 0.00 H new ATOM 358 N TRP A 25 3.365 -0.158 0.703 1.00 0.00 N ATOM 359 CA TRP A 25 4.075 -0.494 -0.526 1.00 0.00 C ATOM 360 C TRP A 25 3.450 0.210 -1.725 1.00 0.00 C ATOM 361 O TRP A 25 4.148 0.837 -2.521 1.00 0.00 O ATOM 362 CB TRP A 25 4.068 -2.007 -0.746 1.00 0.00 C ATOM 363 CG TRP A 25 4.852 -2.436 -1.949 1.00 0.00 C ATOM 364 CD1 TRP A 25 6.135 -2.904 -1.967 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.405 -2.434 -3.309 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.512 -3.193 -3.257 1.00 0.00 N ATOM 367 CE2 TRP A 25 5.468 -2.914 -4.099 1.00 0.00 C ATOM 368 CE3 TRP A 25 3.209 -2.075 -3.937 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.369 -3.042 -5.482 1.00 0.00 C ATOM 370 CZ3 TRP A 25 3.113 -2.202 -5.309 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.187 -2.683 -6.070 1.00 0.00 C ATOM 0 H TRP A 25 2.727 -0.882 1.033 1.00 0.00 H new ATOM 0 HA TRP A 25 5.106 -0.154 -0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.475 -2.497 0.138 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.038 -2.347 -0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.761 -3.029 -1.096 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.422 -3.556 -3.541 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.375 -1.705 -3.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.196 -3.412 -6.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.194 -1.926 -5.804 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.080 -2.772 -7.141 1.00 0.00 H new ATOM 382 N MET A 26 2.131 0.102 -1.848 1.00 0.00 N ATOM 383 CA MET A 26 1.413 0.730 -2.951 1.00 0.00 C ATOM 384 C MET A 26 1.724 2.221 -3.023 1.00 0.00 C ATOM 385 O MET A 26 1.583 2.845 -4.076 1.00 0.00 O ATOM 386 CB MET A 26 -0.094 0.518 -2.793 1.00 0.00 C ATOM 387 CG MET A 26 -0.919 1.186 -3.882 1.00 0.00 C ATOM 388 SD MET A 26 -2.648 1.392 -3.414 1.00 0.00 S ATOM 389 CE MET A 26 -3.471 0.787 -4.886 1.00 0.00 C ATOM 0 H MET A 26 1.538 -0.414 -1.198 1.00 0.00 H new ATOM 0 HA MET A 26 1.743 0.263 -3.879 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.304 -0.552 -2.794 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.407 0.904 -1.823 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.490 2.161 -4.111 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.862 0.590 -4.793 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.425 1.300 -5.006 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.844 0.977 -5.757 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.645 -0.285 -4.791 1.00 0.00 H new ATOM 399 N TYR A 27 2.147 2.788 -1.898 1.00 0.00 N ATOM 400 CA TYR A 27 2.475 4.207 -1.834 1.00 0.00 C ATOM 401 C TYR A 27 3.782 4.498 -2.566 1.00 0.00 C ATOM 402 O TYR A 27 3.804 5.236 -3.552 1.00 0.00 O ATOM 403 CB TYR A 27 2.583 4.661 -0.377 1.00 0.00 C ATOM 404 CG TYR A 27 2.845 6.142 -0.222 1.00 0.00 C ATOM 405 CD1 TYR A 27 1.933 7.081 -0.688 1.00 0.00 C ATOM 406 CD2 TYR A 27 4.004 6.602 0.391 1.00 0.00 C ATOM 407 CE1 TYR A 27 2.169 8.435 -0.549 1.00 0.00 C ATOM 408 CE2 TYR A 27 4.248 7.954 0.535 1.00 0.00 C ATOM 409 CZ TYR A 27 3.328 8.867 0.063 1.00 0.00 C ATOM 410 OH TYR A 27 3.565 10.215 0.205 1.00 0.00 O ATOM 0 H TYR A 27 2.271 2.286 -1.018 1.00 0.00 H new ATOM 0 HA TYR A 27 1.674 4.761 -2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.659 4.408 0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.385 4.106 0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.024 6.747 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.727 5.890 0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.450 9.152 -0.917 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.154 8.294 1.014 1.00 0.00 H new ATOM 0 HH TYR A 27 4.424 10.350 0.657 1.00 0.00 H new ATOM 420 N LYS A 28 4.870 3.912 -2.078 1.00 0.00 N ATOM 421 CA LYS A 28 6.181 4.105 -2.685 1.00 0.00 C ATOM 422 C LYS A 28 6.189 3.617 -4.130 1.00 0.00 C ATOM 423 O LYS A 28 6.904 4.157 -4.974 1.00 0.00 O ATOM 424 CB LYS A 28 7.252 3.365 -1.880 1.00 0.00 C ATOM 425 CG LYS A 28 7.667 4.088 -0.611 1.00 0.00 C ATOM 426 CD LYS A 28 8.949 3.511 -0.034 1.00 0.00 C ATOM 427 CE LYS A 28 9.077 3.812 1.451 1.00 0.00 C ATOM 428 NZ LYS A 28 10.359 3.303 2.012 1.00 0.00 N ATOM 0 H LYS A 28 4.869 3.299 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 28 6.403 5.172 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.879 2.375 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.130 3.219 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.808 5.148 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.869 4.015 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.966 2.432 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.806 3.924 -0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.013 4.888 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.242 3.360 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.408 3.528 3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.409 2.272 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.157 3.753 1.519 1.00 0.00 H new ATOM 442 N HIS A 29 5.387 2.594 -4.409 1.00 0.00 N ATOM 443 CA HIS A 29 5.300 2.035 -5.754 1.00 0.00 C ATOM 444 C HIS A 29 4.042 2.525 -6.465 1.00 0.00 C ATOM 445 O HIS A 29 3.755 2.115 -7.590 1.00 0.00 O ATOM 446 CB HIS A 29 5.305 0.507 -5.695 1.00 0.00 C ATOM 447 CG HIS A 29 6.491 -0.061 -4.978 1.00 0.00 C ATOM 448 ND1 HIS A 29 6.638 -0.470 -3.696 1.00 0.00 N flip ATOM 449 CD2 HIS A 29 7.713 -0.261 -5.585 1.00 0.00 C flip ATOM 450 CE1 HIS A 29 7.932 -0.907 -3.553 1.00 0.00 C flip ATOM 451 NE2 HIS A 29 8.559 -0.771 -4.708 1.00 0.00 N flip ATOM 0 H HIS A 29 4.788 2.135 -3.722 1.00 0.00 H new ATOM 0 HA HIS A 29 6.170 2.372 -6.318 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.395 0.168 -5.200 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.282 0.112 -6.711 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.921 -0.456 -2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.942 -0.036 -6.616 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.366 -1.298 -2.645 1.00 0.00 H new ATOM 460 N ARG A 30 3.296 3.402 -5.802 1.00 0.00 N ATOM 461 CA ARG A 30 2.069 3.945 -6.370 1.00 0.00 C ATOM 462 C ARG A 30 2.226 4.194 -7.867 1.00 0.00 C ATOM 463 O ARG A 30 1.281 4.023 -8.638 1.00 0.00 O ATOM 464 CB ARG A 30 1.687 5.247 -5.663 1.00 0.00 C ATOM 465 CG ARG A 30 2.627 6.402 -5.965 1.00 0.00 C ATOM 466 CD ARG A 30 2.455 7.537 -4.967 1.00 0.00 C ATOM 467 NE ARG A 30 3.691 8.289 -4.775 1.00 0.00 N ATOM 468 CZ ARG A 30 4.101 9.252 -5.593 1.00 0.00 C ATOM 469 NH1 ARG A 30 3.375 9.579 -6.653 1.00 0.00 N ATOM 470 NH2 ARG A 30 5.238 9.891 -5.350 1.00 0.00 N ATOM 0 H ARG A 30 3.520 3.752 -4.870 1.00 0.00 H new ATOM 0 HA ARG A 30 1.275 3.213 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.675 5.527 -5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.670 5.075 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.658 6.049 -5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.439 6.771 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.672 8.210 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.125 7.132 -4.010 1.00 0.00 H new ATOM 0 HE ARG A 30 4.272 8.063 -3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.500 9.091 -6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.692 10.319 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.798 9.643 -4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.552 10.630 -5.979 1.00 0.00 H new ATOM 484 N PHE A 31 3.425 4.598 -8.272 1.00 0.00 N ATOM 485 CA PHE A 31 3.706 4.872 -9.676 1.00 0.00 C ATOM 486 C PHE A 31 3.064 3.819 -10.575 1.00 0.00 C ATOM 487 O PHE A 31 2.453 4.144 -11.593 1.00 0.00 O ATOM 488 CB PHE A 31 5.217 4.911 -9.918 1.00 0.00 C ATOM 489 CG PHE A 31 5.914 6.014 -9.175 1.00 0.00 C ATOM 490 CD1 PHE A 31 5.349 7.277 -9.090 1.00 0.00 C ATOM 491 CD2 PHE A 31 7.136 5.790 -8.560 1.00 0.00 C ATOM 492 CE1 PHE A 31 5.988 8.294 -8.407 1.00 0.00 C ATOM 493 CE2 PHE A 31 7.779 6.803 -7.875 1.00 0.00 C ATOM 494 CZ PHE A 31 7.205 8.057 -7.800 1.00 0.00 C ATOM 0 H PHE A 31 4.218 4.743 -7.647 1.00 0.00 H new ATOM 0 HA PHE A 31 3.280 5.844 -9.922 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.649 3.955 -9.622 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.403 5.029 -10.986 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.397 7.468 -9.564 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.591 4.812 -8.617 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.536 9.273 -8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.730 6.614 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.707 8.851 -7.267 1.00 0.00 H new ATOM 504 N LYS A 32 3.206 2.555 -10.190 1.00 0.00 N ATOM 505 CA LYS A 32 2.639 1.453 -10.958 1.00 0.00 C ATOM 506 C LYS A 32 1.553 0.737 -10.162 1.00 0.00 C ATOM 507 O LYS A 32 0.584 0.233 -10.730 1.00 0.00 O ATOM 508 CB LYS A 32 3.737 0.462 -11.351 1.00 0.00 C ATOM 509 CG LYS A 32 4.386 -0.229 -10.165 1.00 0.00 C ATOM 510 CD LYS A 32 5.612 0.528 -9.681 1.00 0.00 C ATOM 511 CE LYS A 32 6.854 0.138 -10.467 1.00 0.00 C ATOM 512 NZ LYS A 32 7.003 -1.340 -10.571 1.00 0.00 N ATOM 0 H LYS A 32 3.709 2.268 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 32 2.189 1.865 -11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.313 -0.293 -12.013 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.504 0.989 -11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.665 -0.313 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.670 -1.243 -10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.441 1.600 -9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.772 0.325 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.801 0.569 -11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.736 0.559 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.013 -1.586 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.556 -1.793 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.544 -1.675 -11.442 1.00 0.00 H new ATOM 526 N ALA A 33 1.721 0.696 -8.845 1.00 0.00 N ATOM 527 CA ALA A 33 0.753 0.044 -7.971 1.00 0.00 C ATOM 528 C ALA A 33 0.442 -1.369 -8.454 1.00 0.00 C ATOM 529 O ALA A 33 -0.628 -1.909 -8.173 1.00 0.00 O ATOM 530 CB ALA A 33 -0.523 0.869 -7.889 1.00 0.00 C ATOM 0 H ALA A 33 2.518 1.107 -8.359 1.00 0.00 H new ATOM 0 HA ALA A 33 1.190 -0.029 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.237 0.371 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.293 1.857 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.955 0.971 -8.885 1.00 0.00 H new ATOM 536 N TYR A 34 1.383 -1.961 -9.180 1.00 0.00 N ATOM 537 CA TYR A 34 1.207 -3.310 -9.705 1.00 0.00 C ATOM 538 C TYR A 34 2.404 -4.190 -9.356 1.00 0.00 C ATOM 539 O TYR A 34 3.370 -4.297 -10.112 1.00 0.00 O ATOM 540 CB TYR A 34 1.015 -3.269 -11.222 1.00 0.00 C ATOM 541 CG TYR A 34 -0.328 -2.721 -11.647 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.502 -3.410 -11.369 1.00 0.00 C ATOM 543 CD2 TYR A 34 -0.423 -1.513 -12.328 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.731 -2.913 -11.757 1.00 0.00 C ATOM 545 CE2 TYR A 34 -1.649 -1.008 -12.718 1.00 0.00 C ATOM 546 CZ TYR A 34 -2.799 -1.711 -12.430 1.00 0.00 C ATOM 547 OH TYR A 34 -4.022 -1.212 -12.818 1.00 0.00 O ATOM 0 H TYR A 34 2.275 -1.528 -9.419 1.00 0.00 H new ATOM 0 HA TYR A 34 0.317 -3.739 -9.245 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.803 -2.659 -11.663 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.130 -4.276 -11.622 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.453 -4.350 -10.840 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.476 -0.960 -12.556 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.634 -3.463 -11.535 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.706 -0.067 -13.246 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.735 -1.689 -12.345 1.00 0.00 H new ATOM 557 N PRO A 35 2.339 -4.837 -8.183 1.00 0.00 N ATOM 558 CA PRO A 35 3.407 -5.720 -7.706 1.00 0.00 C ATOM 559 C PRO A 35 3.504 -7.006 -8.521 1.00 0.00 C ATOM 560 O PRO A 35 2.623 -7.308 -9.327 1.00 0.00 O ATOM 561 CB PRO A 35 2.995 -6.030 -6.265 1.00 0.00 C ATOM 562 CG PRO A 35 1.515 -5.854 -6.249 1.00 0.00 C ATOM 563 CD PRO A 35 1.218 -4.756 -7.231 1.00 0.00 C ATOM 0 HA PRO A 35 4.389 -5.254 -7.792 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.276 -7.044 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.482 -5.356 -5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.009 -6.777 -6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.164 -5.591 -5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.259 -4.908 -7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.174 -3.782 -6.744 1.00 0.00 H new ATOM 571 N SER A 36 4.578 -7.758 -8.306 1.00 0.00 N ATOM 572 CA SER A 36 4.790 -9.010 -9.023 1.00 0.00 C ATOM 573 C SER A 36 4.510 -10.208 -8.120 1.00 0.00 C ATOM 574 O SER A 36 4.701 -10.141 -6.906 1.00 0.00 O ATOM 575 CB SER A 36 6.223 -9.081 -9.554 1.00 0.00 C ATOM 576 OG SER A 36 6.326 -10.008 -10.621 1.00 0.00 O ATOM 0 H SER A 36 5.315 -7.522 -7.641 1.00 0.00 H new ATOM 0 HA SER A 36 4.096 -9.041 -9.863 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.538 -8.094 -9.894 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.898 -9.371 -8.749 1.00 0.00 H new ATOM 0 HG SER A 36 6.803 -10.808 -10.315 1.00 0.00 H new ATOM 582 N GLU A 37 4.057 -11.302 -8.723 1.00 0.00 N ATOM 583 CA GLU A 37 3.749 -12.515 -7.974 1.00 0.00 C ATOM 584 C GLU A 37 4.711 -12.689 -6.802 1.00 0.00 C ATOM 585 O GLU A 37 4.340 -13.219 -5.756 1.00 0.00 O ATOM 586 CB GLU A 37 3.818 -13.738 -8.891 1.00 0.00 C ATOM 587 CG GLU A 37 2.538 -13.989 -9.669 1.00 0.00 C ATOM 588 CD GLU A 37 2.748 -14.905 -10.859 1.00 0.00 C ATOM 589 OE1 GLU A 37 2.678 -16.138 -10.677 1.00 0.00 O ATOM 590 OE2 GLU A 37 2.983 -14.389 -11.972 1.00 0.00 O ATOM 0 H GLU A 37 3.895 -11.374 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 37 2.737 -12.422 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.641 -13.608 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.047 -14.619 -8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.794 -14.428 -9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.135 -13.037 -10.015 1.00 0.00 H new ATOM 597 N GLU A 38 5.948 -12.239 -6.988 1.00 0.00 N ATOM 598 CA GLU A 38 6.963 -12.346 -5.946 1.00 0.00 C ATOM 599 C GLU A 38 6.702 -11.343 -4.826 1.00 0.00 C ATOM 600 O GLU A 38 6.659 -11.707 -3.652 1.00 0.00 O ATOM 601 CB GLU A 38 8.356 -12.117 -6.536 1.00 0.00 C ATOM 602 CG GLU A 38 8.842 -13.259 -7.413 1.00 0.00 C ATOM 603 CD GLU A 38 8.270 -13.201 -8.816 1.00 0.00 C ATOM 604 OE1 GLU A 38 7.818 -12.111 -9.227 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.273 -14.244 -9.502 1.00 0.00 O ATOM 0 H GLU A 38 6.271 -11.798 -7.849 1.00 0.00 H new ATOM 0 HA GLU A 38 6.913 -13.351 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.346 -11.199 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.066 -11.968 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.930 -13.233 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.568 -14.208 -6.952 1.00 0.00 H new ATOM 612 N GLU A 39 6.528 -10.079 -5.200 1.00 0.00 N ATOM 613 CA GLU A 39 6.272 -9.024 -4.227 1.00 0.00 C ATOM 614 C GLU A 39 5.018 -9.327 -3.412 1.00 0.00 C ATOM 615 O GLU A 39 5.041 -9.298 -2.182 1.00 0.00 O ATOM 616 CB GLU A 39 6.121 -7.674 -4.933 1.00 0.00 C ATOM 617 CG GLU A 39 7.441 -7.073 -5.385 1.00 0.00 C ATOM 618 CD GLU A 39 7.298 -6.226 -6.635 1.00 0.00 C ATOM 619 OE1 GLU A 39 6.294 -5.492 -6.743 1.00 0.00 O ATOM 620 OE2 GLU A 39 8.192 -6.298 -7.505 1.00 0.00 O ATOM 0 H GLU A 39 6.560 -9.761 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 39 7.123 -8.978 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.472 -7.797 -5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.625 -6.975 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.852 -6.462 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.155 -7.874 -5.573 1.00 0.00 H new ATOM 627 N LYS A 40 3.924 -9.618 -4.108 1.00 0.00 N ATOM 628 CA LYS A 40 2.659 -9.927 -3.451 1.00 0.00 C ATOM 629 C LYS A 40 2.837 -11.042 -2.425 1.00 0.00 C ATOM 630 O LYS A 40 2.481 -10.885 -1.258 1.00 0.00 O ATOM 631 CB LYS A 40 1.610 -10.336 -4.488 1.00 0.00 C ATOM 632 CG LYS A 40 1.825 -9.706 -5.853 1.00 0.00 C ATOM 633 CD LYS A 40 0.534 -9.653 -6.652 1.00 0.00 C ATOM 634 CE LYS A 40 0.802 -9.392 -8.126 1.00 0.00 C ATOM 635 NZ LYS A 40 -0.359 -9.776 -8.977 1.00 0.00 N ATOM 0 H LYS A 40 3.888 -9.646 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 40 2.319 -9.031 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.619 -11.421 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.622 -10.059 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.220 -8.698 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.572 -10.277 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.004 -10.595 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.110 -8.869 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.026 -8.336 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.683 -9.952 -8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.028 -9.992 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.822 -10.615 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.038 -8.989 -9.013 1.00 0.00 H new ATOM 649 N GLN A 41 3.392 -12.165 -2.869 1.00 0.00 N ATOM 650 CA GLN A 41 3.617 -13.305 -1.988 1.00 0.00 C ATOM 651 C GLN A 41 4.304 -12.868 -0.698 1.00 0.00 C ATOM 652 O GLN A 41 3.976 -13.352 0.385 1.00 0.00 O ATOM 653 CB GLN A 41 4.464 -14.364 -2.696 1.00 0.00 C ATOM 654 CG GLN A 41 4.563 -15.675 -1.932 1.00 0.00 C ATOM 655 CD GLN A 41 3.236 -16.402 -1.846 1.00 0.00 C ATOM 656 OE1 GLN A 41 2.877 -17.170 -2.739 1.00 0.00 O ATOM 657 NE2 GLN A 41 2.499 -16.165 -0.767 1.00 0.00 N ATOM 0 H GLN A 41 3.694 -12.310 -3.832 1.00 0.00 H new ATOM 0 HA GLN A 41 2.647 -13.734 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.039 -14.558 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.467 -13.969 -2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.295 -16.320 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.931 -15.477 -0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.835 -15.521 -0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.597 -16.627 -0.654 1.00 0.00 H new ATOM 666 N MET A 42 5.258 -11.951 -0.822 1.00 0.00 N ATOM 667 CA MET A 42 5.989 -11.449 0.335 1.00 0.00 C ATOM 668 C MET A 42 5.051 -10.739 1.305 1.00 0.00 C ATOM 669 O MET A 42 5.152 -10.911 2.521 1.00 0.00 O ATOM 670 CB MET A 42 7.098 -10.494 -0.111 1.00 0.00 C ATOM 671 CG MET A 42 7.516 -9.503 0.963 1.00 0.00 C ATOM 672 SD MET A 42 6.483 -8.025 0.984 1.00 0.00 S ATOM 673 CE MET A 42 6.925 -7.280 -0.583 1.00 0.00 C ATOM 0 H MET A 42 5.543 -11.541 -1.712 1.00 0.00 H new ATOM 0 HA MET A 42 6.436 -12.300 0.848 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.968 -11.077 -0.414 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.761 -9.944 -0.990 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.469 -9.988 1.938 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.554 -9.214 0.801 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.312 -6.276 -0.412 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.689 -7.885 -1.071 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.043 -7.225 -1.221 1.00 0.00 H new ATOM 683 N LEU A 43 4.139 -9.940 0.762 1.00 0.00 N ATOM 684 CA LEU A 43 3.182 -9.203 1.580 1.00 0.00 C ATOM 685 C LEU A 43 2.149 -10.144 2.190 1.00 0.00 C ATOM 686 O LEU A 43 1.711 -9.951 3.325 1.00 0.00 O ATOM 687 CB LEU A 43 2.482 -8.132 0.742 1.00 0.00 C ATOM 688 CG LEU A 43 3.397 -7.173 -0.021 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.691 -6.630 -1.254 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.847 -6.034 0.882 1.00 0.00 C ATOM 0 H LEU A 43 4.042 -9.786 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 43 3.730 -8.721 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.830 -8.629 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.842 -7.545 1.400 1.00 0.00 H new ATOM 0 HG LEU A 43 4.280 -7.724 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.357 -5.949 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.418 -7.456 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.791 -6.095 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.497 -5.361 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.975 -5.484 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.392 -6.439 1.735 1.00 0.00 H new ATOM 702 N SER A 44 1.764 -11.164 1.430 1.00 0.00 N ATOM 703 CA SER A 44 0.780 -12.135 1.894 1.00 0.00 C ATOM 704 C SER A 44 1.195 -12.729 3.237 1.00 0.00 C ATOM 705 O SER A 44 0.356 -13.200 4.004 1.00 0.00 O ATOM 706 CB SER A 44 0.607 -13.251 0.862 1.00 0.00 C ATOM 707 OG SER A 44 0.271 -14.477 1.489 1.00 0.00 O ATOM 0 H SER A 44 2.119 -11.340 0.490 1.00 0.00 H new ATOM 0 HA SER A 44 -0.171 -11.618 2.023 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.173 -12.976 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.529 -13.371 0.293 1.00 0.00 H new ATOM 0 HG SER A 44 -0.653 -14.436 1.812 1.00 0.00 H new ATOM 713 N GLU A 45 2.495 -12.701 3.513 1.00 0.00 N ATOM 714 CA GLU A 45 3.021 -13.237 4.763 1.00 0.00 C ATOM 715 C GLU A 45 2.711 -12.303 5.929 1.00 0.00 C ATOM 716 O GLU A 45 2.312 -12.747 7.006 1.00 0.00 O ATOM 717 CB GLU A 45 4.532 -13.451 4.655 1.00 0.00 C ATOM 718 CG GLU A 45 4.931 -14.442 3.574 1.00 0.00 C ATOM 719 CD GLU A 45 6.317 -15.018 3.793 1.00 0.00 C ATOM 720 OE1 GLU A 45 6.564 -15.573 4.884 1.00 0.00 O ATOM 721 OE2 GLU A 45 7.154 -14.914 2.872 1.00 0.00 O ATOM 0 H GLU A 45 3.202 -12.313 2.889 1.00 0.00 H new ATOM 0 HA GLU A 45 2.537 -14.196 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.013 -12.494 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.910 -13.802 5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.205 -15.254 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.896 -13.948 2.603 1.00 0.00 H new ATOM 728 N LYS A 46 2.898 -11.006 5.707 1.00 0.00 N ATOM 729 CA LYS A 46 2.639 -10.008 6.737 1.00 0.00 C ATOM 730 C LYS A 46 1.142 -9.754 6.884 1.00 0.00 C ATOM 731 O LYS A 46 0.659 -9.432 7.970 1.00 0.00 O ATOM 732 CB LYS A 46 3.358 -8.699 6.400 1.00 0.00 C ATOM 733 CG LYS A 46 4.870 -8.788 6.518 1.00 0.00 C ATOM 734 CD LYS A 46 5.496 -9.344 5.250 1.00 0.00 C ATOM 735 CE LYS A 46 7.010 -9.430 5.368 1.00 0.00 C ATOM 736 NZ LYS A 46 7.442 -10.670 6.070 1.00 0.00 N ATOM 0 H LYS A 46 3.228 -10.622 4.822 1.00 0.00 H new ATOM 0 HA LYS A 46 3.020 -10.392 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.098 -8.403 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.996 -7.914 7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.279 -7.799 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.133 -9.423 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.089 -10.334 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.231 -8.710 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.454 -9.403 4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.382 -8.559 5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.480 -10.691 6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.039 -10.684 7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.109 -11.502 5.542 1.00 0.00 H new ATOM 750 N THR A 47 0.410 -9.903 5.784 1.00 0.00 N ATOM 751 CA THR A 47 -1.032 -9.691 5.790 1.00 0.00 C ATOM 752 C THR A 47 -1.782 -11.011 5.921 1.00 0.00 C ATOM 753 O THR A 47 -2.963 -11.034 6.263 1.00 0.00 O ATOM 754 CB THR A 47 -1.500 -8.973 4.510 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.204 -9.775 3.362 1.00 0.00 O ATOM 756 CG2 THR A 47 -0.826 -7.616 4.374 1.00 0.00 C ATOM 0 H THR A 47 0.793 -10.170 4.877 1.00 0.00 H new ATOM 0 HA THR A 47 -1.255 -9.063 6.652 1.00 0.00 H new ATOM 0 HB THR A 47 -2.577 -8.821 4.578 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.233 -9.815 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.172 -7.128 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.077 -6.997 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.255 -7.750 4.326 1.00 0.00 H new ATOM 764 N ASN A 48 -1.086 -12.111 5.648 1.00 0.00 N ATOM 765 CA ASN A 48 -1.688 -13.437 5.736 1.00 0.00 C ATOM 766 C ASN A 48 -2.820 -13.589 4.725 1.00 0.00 C ATOM 767 O ASN A 48 -3.793 -14.304 4.968 1.00 0.00 O ATOM 768 CB ASN A 48 -2.214 -13.688 7.150 1.00 0.00 C ATOM 769 CG ASN A 48 -2.645 -15.127 7.360 1.00 0.00 C ATOM 770 OD1 ASN A 48 -3.835 -15.418 7.486 1.00 0.00 O ATOM 771 ND2 ASN A 48 -1.677 -16.035 7.398 1.00 0.00 N ATOM 0 H ASN A 48 -0.106 -12.110 5.364 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.919 -14.174 5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.439 -13.435 7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.059 -13.027 7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.906 -17.019 7.536 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.704 -15.748 7.289 1.00 0.00 H new ATOM 778 N LEU A 49 -2.687 -12.911 3.590 1.00 0.00 N ATOM 779 CA LEU A 49 -3.698 -12.971 2.540 1.00 0.00 C ATOM 780 C LEU A 49 -3.232 -13.849 1.383 1.00 0.00 C ATOM 781 O LEU A 49 -2.172 -14.471 1.452 1.00 0.00 O ATOM 782 CB LEU A 49 -4.017 -11.564 2.032 1.00 0.00 C ATOM 783 CG LEU A 49 -4.196 -10.488 3.103 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.113 -9.101 2.485 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.521 -10.672 3.829 1.00 0.00 C ATOM 0 H LEU A 49 -1.889 -12.314 3.373 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.601 -13.411 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.216 -11.251 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.930 -11.612 1.438 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.390 -10.589 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.243 -8.348 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.139 -8.971 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.897 -8.989 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.631 -9.897 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.341 -10.599 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.542 -11.652 4.306 1.00 0.00 H new ATOM 797 N SER A 50 -4.029 -13.892 0.321 1.00 0.00 N ATOM 798 CA SER A 50 -3.698 -14.694 -0.851 1.00 0.00 C ATOM 799 C SER A 50 -3.465 -13.806 -2.069 1.00 0.00 C ATOM 800 O SER A 50 -4.225 -12.872 -2.326 1.00 0.00 O ATOM 801 CB SER A 50 -4.818 -15.695 -1.142 1.00 0.00 C ATOM 802 OG SER A 50 -5.106 -16.485 -0.001 1.00 0.00 O ATOM 0 H SER A 50 -4.909 -13.381 0.248 1.00 0.00 H new ATOM 0 HA SER A 50 -2.778 -15.239 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.715 -15.161 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.527 -16.340 -1.971 1.00 0.00 H new ATOM 0 HG SER A 50 -5.826 -17.115 -0.213 1.00 0.00 H new ATOM 808 N LEU A 51 -2.408 -14.104 -2.817 1.00 0.00 N ATOM 809 CA LEU A 51 -2.073 -13.334 -4.009 1.00 0.00 C ATOM 810 C LEU A 51 -3.333 -12.830 -4.705 1.00 0.00 C ATOM 811 O LEU A 51 -3.392 -11.685 -5.154 1.00 0.00 O ATOM 812 CB LEU A 51 -1.249 -14.186 -4.976 1.00 0.00 C ATOM 813 CG LEU A 51 0.200 -14.454 -4.568 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.255 -15.422 -3.397 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.995 -14.995 -5.748 1.00 0.00 C ATOM 0 H LEU A 51 -1.769 -14.873 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.482 -12.472 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.752 -15.144 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.246 -13.695 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 51 0.649 -13.512 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.294 -15.600 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.278 -14.996 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.212 -16.365 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.024 -15.180 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.546 -15.927 -6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.985 -14.266 -6.558 1.00 0.00 H new ATOM 827 N LEU A 52 -4.341 -13.692 -4.788 1.00 0.00 N ATOM 828 CA LEU A 52 -5.603 -13.334 -5.427 1.00 0.00 C ATOM 829 C LEU A 52 -6.215 -12.100 -4.770 1.00 0.00 C ATOM 830 O LEU A 52 -6.631 -11.165 -5.452 1.00 0.00 O ATOM 831 CB LEU A 52 -6.585 -14.505 -5.353 1.00 0.00 C ATOM 832 CG LEU A 52 -8.040 -14.182 -5.692 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.158 -13.689 -7.126 1.00 0.00 C ATOM 834 CD2 LEU A 52 -8.922 -15.403 -5.473 1.00 0.00 C ATOM 0 H LEU A 52 -4.309 -14.643 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.400 -13.103 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.240 -15.286 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.551 -14.919 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.380 -13.388 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.201 -13.464 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.558 -12.788 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.800 -14.461 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.954 -15.155 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.582 -16.217 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.862 -15.713 -4.430 1.00 0.00 H new ATOM 846 N GLN A 53 -6.264 -12.106 -3.442 1.00 0.00 N ATOM 847 CA GLN A 53 -6.823 -10.987 -2.693 1.00 0.00 C ATOM 848 C GLN A 53 -5.889 -9.783 -2.735 1.00 0.00 C ATOM 849 O GLN A 53 -6.339 -8.637 -2.757 1.00 0.00 O ATOM 850 CB GLN A 53 -7.084 -11.396 -1.242 1.00 0.00 C ATOM 851 CG GLN A 53 -8.292 -12.302 -1.073 1.00 0.00 C ATOM 852 CD GLN A 53 -8.205 -13.165 0.170 1.00 0.00 C ATOM 853 OE1 GLN A 53 -8.278 -14.392 0.095 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.046 -12.528 1.324 1.00 0.00 N ATOM 0 H GLN A 53 -5.923 -12.873 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.768 -10.707 -3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.202 -11.904 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.227 -10.498 -0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.194 -11.693 -1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.386 -12.943 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.990 -11.510 1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.979 -13.057 2.194 1.00 0.00 H new ATOM 863 N ILE A 54 -4.587 -10.050 -2.745 1.00 0.00 N ATOM 864 CA ILE A 54 -3.590 -8.988 -2.785 1.00 0.00 C ATOM 865 C ILE A 54 -3.803 -8.079 -3.990 1.00 0.00 C ATOM 866 O ILE A 54 -4.197 -6.922 -3.847 1.00 0.00 O ATOM 867 CB ILE A 54 -2.161 -9.559 -2.832 1.00 0.00 C ATOM 868 CG1 ILE A 54 -1.872 -10.376 -1.571 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.146 -8.436 -2.986 1.00 0.00 C ATOM 870 CD1 ILE A 54 -1.916 -9.558 -0.299 1.00 0.00 C ATOM 0 H ILE A 54 -4.198 -10.993 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.710 -8.408 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.078 -10.218 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.598 -11.186 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.888 -10.837 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.141 -8.856 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.342 -7.893 -3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.228 -7.753 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.702 -10.201 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.171 -8.764 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.907 -9.119 -0.183 1.00 0.00 H new ATOM 882 N SER A 55 -3.540 -8.612 -5.180 1.00 0.00 N ATOM 883 CA SER A 55 -3.701 -7.848 -6.412 1.00 0.00 C ATOM 884 C SER A 55 -5.122 -7.307 -6.534 1.00 0.00 C ATOM 885 O SER A 55 -5.327 -6.139 -6.862 1.00 0.00 O ATOM 886 CB SER A 55 -3.369 -8.720 -7.624 1.00 0.00 C ATOM 887 OG SER A 55 -3.164 -7.928 -8.781 1.00 0.00 O ATOM 0 H SER A 55 -3.215 -9.569 -5.317 1.00 0.00 H new ATOM 0 HA SER A 55 -3.012 -7.004 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.474 -9.308 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.181 -9.426 -7.802 1.00 0.00 H new ATOM 0 HG SER A 55 -2.952 -8.509 -9.541 1.00 0.00 H new ATOM 893 N ASN A 56 -6.101 -8.166 -6.267 1.00 0.00 N ATOM 894 CA ASN A 56 -7.504 -7.775 -6.347 1.00 0.00 C ATOM 895 C ASN A 56 -7.748 -6.467 -5.601 1.00 0.00 C ATOM 896 O ASN A 56 -8.433 -5.574 -6.101 1.00 0.00 O ATOM 897 CB ASN A 56 -8.395 -8.877 -5.771 1.00 0.00 C ATOM 898 CG ASN A 56 -8.632 -10.004 -6.758 1.00 0.00 C ATOM 899 OD1 ASN A 56 -8.153 -9.962 -7.891 1.00 0.00 O ATOM 900 ND2 ASN A 56 -9.375 -11.018 -6.331 1.00 0.00 N ATOM 0 H ASN A 56 -5.949 -9.137 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.754 -7.626 -7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.934 -9.279 -4.869 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.353 -8.449 -5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.569 -11.805 -6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.752 -11.011 -5.383 1.00 0.00 H new ATOM 907 N TRP A 57 -7.182 -6.360 -4.404 1.00 0.00 N ATOM 908 CA TRP A 57 -7.337 -5.160 -3.590 1.00 0.00 C ATOM 909 C TRP A 57 -6.718 -3.950 -4.280 1.00 0.00 C ATOM 910 O TRP A 57 -7.288 -2.859 -4.270 1.00 0.00 O ATOM 911 CB TRP A 57 -6.695 -5.365 -2.217 1.00 0.00 C ATOM 912 CG TRP A 57 -6.553 -4.095 -1.432 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.487 -3.531 -0.611 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.411 -3.233 -1.397 1.00 0.00 C ATOM 915 NE1 TRP A 57 -6.994 -2.369 -0.068 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.722 -2.164 -0.534 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.155 -3.260 -2.010 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.823 -1.134 -0.270 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.264 -2.237 -1.747 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.601 -1.186 -0.883 1.00 0.00 C ATOM 0 H TRP A 57 -6.612 -7.089 -3.976 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.403 -4.973 -3.461 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.296 -6.072 -1.645 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.711 -5.815 -2.347 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.468 -3.938 -0.417 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.494 -1.758 0.578 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.886 -4.066 -2.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.081 -0.323 0.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.291 -2.247 -2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.882 -0.402 -0.698 1.00 0.00 H new ATOM 931 N PHE A 58 -5.548 -4.150 -4.878 1.00 0.00 N ATOM 932 CA PHE A 58 -4.851 -3.073 -5.572 1.00 0.00 C ATOM 933 C PHE A 58 -5.718 -2.493 -6.686 1.00 0.00 C ATOM 934 O PHE A 58 -5.784 -1.277 -6.866 1.00 0.00 O ATOM 935 CB PHE A 58 -3.530 -3.583 -6.152 1.00 0.00 C ATOM 936 CG PHE A 58 -2.368 -3.442 -5.211 1.00 0.00 C ATOM 937 CD1 PHE A 58 -2.141 -4.386 -4.223 1.00 0.00 C ATOM 938 CD2 PHE A 58 -1.503 -2.364 -5.314 1.00 0.00 C ATOM 939 CE1 PHE A 58 -1.072 -4.259 -3.356 1.00 0.00 C ATOM 940 CE2 PHE A 58 -0.433 -2.232 -4.450 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.218 -3.180 -3.468 1.00 0.00 C ATOM 0 H PHE A 58 -5.063 -5.047 -4.896 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.643 -2.284 -4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.643 -4.633 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.311 -3.038 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.807 -5.231 -4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.667 -1.619 -6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.905 -5.003 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.235 -1.388 -4.542 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.616 -3.077 -2.790 1.00 0.00 H new ATOM 951 N ILE A 59 -6.382 -3.372 -7.429 1.00 0.00 N ATOM 952 CA ILE A 59 -7.245 -2.948 -8.525 1.00 0.00 C ATOM 953 C ILE A 59 -8.224 -1.873 -8.068 1.00 0.00 C ATOM 954 O ILE A 59 -8.136 -0.720 -8.489 1.00 0.00 O ATOM 955 CB ILE A 59 -8.037 -4.133 -9.108 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.080 -5.200 -9.643 1.00 0.00 C ATOM 957 CG2 ILE A 59 -8.973 -3.654 -10.207 1.00 0.00 C ATOM 958 CD1 ILE A 59 -7.765 -6.498 -10.010 1.00 0.00 C ATOM 0 H ILE A 59 -6.339 -4.382 -7.292 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.595 -2.540 -9.299 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.638 -4.576 -8.314 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.567 -4.809 -10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.317 -5.401 -8.891 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.526 -4.503 -10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.673 -2.926 -9.797 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.392 -3.189 -11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.025 -7.207 -10.382 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.255 -6.913 -9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.509 -6.311 -10.784 1.00 0.00 H new ATOM 970 N ASN A 60 -9.156 -2.258 -7.202 1.00 0.00 N ATOM 971 CA ASN A 60 -10.152 -1.326 -6.686 1.00 0.00 C ATOM 972 C ASN A 60 -9.486 -0.187 -5.920 1.00 0.00 C ATOM 973 O ASN A 60 -9.798 0.984 -6.134 1.00 0.00 O ATOM 974 CB ASN A 60 -11.142 -2.056 -5.777 1.00 0.00 C ATOM 975 CG ASN A 60 -11.439 -3.464 -6.258 1.00 0.00 C ATOM 976 OD1 ASN A 60 -10.769 -4.445 -5.663 1.00 0.00 O flip ATOM 977 ND2 ASN A 60 -12.260 -3.666 -7.152 1.00 0.00 N flip ATOM 0 H ASN A 60 -9.242 -3.209 -6.843 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.691 -0.904 -7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.739 -2.098 -4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.071 -1.489 -5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.751 -2.881 -7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.450 -4.618 -7.465 1.00 0.00 H new ATOM 984 N ALA A 61 -8.567 -0.539 -5.028 1.00 0.00 N ATOM 985 CA ALA A 61 -7.855 0.453 -4.232 1.00 0.00 C ATOM 986 C ALA A 61 -7.198 1.502 -5.122 1.00 0.00 C ATOM 987 O ALA A 61 -7.105 2.673 -4.753 1.00 0.00 O ATOM 988 CB ALA A 61 -6.813 -0.224 -3.354 1.00 0.00 C ATOM 0 H ALA A 61 -8.298 -1.504 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.580 0.958 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.289 0.529 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.304 -0.931 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.098 -0.756 -3.982 1.00 0.00 H new ATOM 994 N ARG A 62 -6.744 1.075 -6.296 1.00 0.00 N ATOM 995 CA ARG A 62 -6.094 1.978 -7.238 1.00 0.00 C ATOM 996 C ARG A 62 -7.098 2.965 -7.826 1.00 0.00 C ATOM 997 O ARG A 62 -6.741 3.820 -8.637 1.00 0.00 O ATOM 998 CB ARG A 62 -5.426 1.183 -8.361 1.00 0.00 C ATOM 999 CG ARG A 62 -4.036 0.679 -8.008 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.469 -0.208 -9.105 1.00 0.00 C ATOM 1001 NE ARG A 62 -3.069 0.563 -10.280 1.00 0.00 N ATOM 1002 CZ ARG A 62 -3.907 0.914 -11.249 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -5.184 0.566 -11.184 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -3.467 1.615 -12.286 1.00 0.00 N ATOM 0 H ARG A 62 -6.814 0.109 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.332 2.540 -6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.057 0.332 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.361 1.811 -9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.371 1.527 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.077 0.121 -7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.608 -0.755 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.215 -0.949 -9.394 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.093 0.847 -10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.526 0.027 -10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.825 0.837 -11.930 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.485 1.885 -12.339 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.111 1.884 -13.030 1.00 0.00 H new ATOM 1018 N ARG A 63 -8.355 2.840 -7.412 1.00 0.00 N ATOM 1019 CA ARG A 63 -9.410 3.720 -7.899 1.00 0.00 C ATOM 1020 C ARG A 63 -9.770 4.769 -6.851 1.00 0.00 C ATOM 1021 O ARG A 63 -10.276 5.842 -7.181 1.00 0.00 O ATOM 1022 CB ARG A 63 -10.652 2.906 -8.267 1.00 0.00 C ATOM 1023 CG ARG A 63 -10.363 1.748 -9.209 1.00 0.00 C ATOM 1024 CD ARG A 63 -11.604 0.902 -9.449 1.00 0.00 C ATOM 1025 NE ARG A 63 -12.697 1.684 -10.021 1.00 0.00 N ATOM 1026 CZ ARG A 63 -13.751 1.144 -10.622 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -13.855 -0.173 -10.729 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -14.705 1.922 -11.117 1.00 0.00 N ATOM 0 H ARG A 63 -8.667 2.138 -6.741 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.041 4.231 -8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.105 2.517 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.385 3.566 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.995 2.134 -10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.572 1.125 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.357 0.079 -10.120 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.929 0.460 -8.507 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.648 2.701 -9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.124 -0.775 -10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.666 -0.585 -11.191 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.629 2.936 -11.036 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.514 1.506 -11.578 1.00 0.00 H new ATOM 1042 N ARG A 64 -9.506 4.452 -5.588 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.803 5.366 -4.492 1.00 0.00 C ATOM 1044 C ARG A 64 -8.565 5.608 -3.634 1.00 0.00 C ATOM 1045 O ARG A 64 -8.279 6.740 -3.244 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.935 4.809 -3.627 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.784 5.884 -2.968 1.00 0.00 C ATOM 1048 CD ARG A 64 -12.705 6.560 -3.973 1.00 0.00 C ATOM 1049 NE ARG A 64 -13.816 7.247 -3.320 1.00 0.00 N ATOM 1050 CZ ARG A 64 -14.717 7.972 -3.973 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -14.638 8.104 -5.290 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -15.700 8.567 -3.309 1.00 0.00 N ATOM 0 H ARG A 64 -9.087 3.568 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.117 6.317 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.576 4.179 -4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.509 4.170 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.378 5.441 -2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.136 6.630 -2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.134 7.275 -4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.096 5.814 -4.665 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.905 7.166 -2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.884 7.648 -5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -15.331 8.661 -5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.764 8.468 -2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.391 9.124 -3.812 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.834 4.536 -3.344 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.627 4.632 -2.533 1.00 0.00 C ATOM 1068 C ILE A 65 -5.506 5.330 -3.296 1.00 0.00 C ATOM 1069 O ILE A 65 -5.028 6.389 -2.889 1.00 0.00 O ATOM 1070 CB ILE A 65 -6.139 3.242 -2.084 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -7.261 2.492 -1.363 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.919 3.375 -1.184 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.794 1.238 -0.659 1.00 0.00 C ATOM 0 H ILE A 65 -8.057 3.592 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.884 5.220 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.854 2.670 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.722 3.158 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.033 2.227 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.585 2.385 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.118 3.874 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.179 3.962 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.642 0.758 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.359 0.553 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.044 1.498 0.088 1.00 0.00 H new ATOM 1085 N LEU A 66 -5.092 4.730 -4.407 1.00 0.00 N ATOM 1086 CA LEU A 66 -4.028 5.295 -5.230 1.00 0.00 C ATOM 1087 C LEU A 66 -4.226 6.795 -5.423 1.00 0.00 C ATOM 1088 O LEU A 66 -3.340 7.604 -5.148 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.982 4.595 -6.590 1.00 0.00 C ATOM 1090 CG LEU A 66 -3.203 5.317 -7.690 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.831 5.736 -7.185 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -3.073 4.431 -8.920 1.00 0.00 C ATOM 0 H LEU A 66 -5.477 3.853 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.081 5.136 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.545 3.606 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.005 4.447 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.754 6.215 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.291 6.248 -7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.946 6.408 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.271 4.853 -6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.516 4.961 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.544 3.515 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.066 4.181 -9.295 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.418 7.176 -5.906 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.762 8.581 -6.145 1.00 0.00 C ATOM 1106 C PRO A 67 -5.927 9.366 -4.847 1.00 0.00 C ATOM 1107 O PRO A 67 -6.011 10.594 -4.860 1.00 0.00 O ATOM 1108 CB PRO A 67 -7.096 8.498 -6.892 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.684 7.195 -6.473 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.521 6.266 -6.256 1.00 0.00 C ATOM 0 HA PRO A 67 -4.981 9.104 -6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.749 9.330 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.949 8.537 -7.971 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.270 7.307 -5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.356 6.806 -7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.721 5.551 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.296 5.688 -7.152 1.00 0.00 H new ATOM 1118 N ASP A 68 -5.971 8.649 -3.730 1.00 0.00 N ATOM 1119 CA ASP A 68 -6.124 9.279 -2.423 1.00 0.00 C ATOM 1120 C ASP A 68 -4.764 9.633 -1.828 1.00 0.00 C ATOM 1121 O ASP A 68 -4.581 10.717 -1.277 1.00 0.00 O ATOM 1122 CB ASP A 68 -6.885 8.353 -1.473 1.00 0.00 C ATOM 1123 CG ASP A 68 -6.809 8.815 -0.031 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -5.683 8.941 0.493 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -7.877 9.049 0.574 1.00 0.00 O ATOM 0 H ASP A 68 -5.903 7.632 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.693 10.199 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.929 8.301 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.479 7.344 -1.550 1.00 0.00 H new