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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -90:sc= -2.22 USER MOD Single : A 20 LYS NZ :NH3+ 167:sc=-0.00272 (180deg=-0.112) USER MOD Single : A 26 MET CE :methyl -133:sc= -4.4! (180deg=-8.33!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.033) USER MOD Single : A 29 HIS : no HD1:sc= -11.4! C(o=-11!,f=-11!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 15:sc= -2.93! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.6!) USER MOD Single : A 42 MET CE :methyl 179:sc= 0 (180deg=-0.00155) USER MOD Single : A 44 SER OG : rot -70:sc= 0.0948 USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.249) USER MOD Single : A 47 THR OG1 : rot -71:sc= -0.0661 USER MOD Single : A 48 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.7!) 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 :FLIP amide:sc= -3.51! C(o=-4.9!,f=-3.5!) USER MOD Single : A 60 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 14 -10.048 -6.074 3.096 1.00 0.00 N ATOM 178 CA LEU A 14 -9.003 -6.416 4.054 1.00 0.00 C ATOM 179 C LEU A 14 -9.021 -5.462 5.244 1.00 0.00 C ATOM 180 O LEU A 14 -9.362 -4.286 5.123 1.00 0.00 O ATOM 181 CB LEU A 14 -7.631 -6.379 3.377 1.00 0.00 C ATOM 182 CG LEU A 14 -7.570 -6.934 1.954 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.342 -6.408 1.227 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.569 -8.456 1.975 1.00 0.00 C ATOM 0 HA LEU A 14 -9.195 -7.425 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.285 -5.345 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.928 -6.939 3.994 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.456 -6.598 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.316 -6.814 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.385 -5.320 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.443 -6.712 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.525 -8.834 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.702 -8.812 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.480 -8.814 2.456 1.00 0.00 H new ATOM 196 N PRO A 15 -8.643 -5.979 6.423 1.00 0.00 N ATOM 197 CA PRO A 15 -8.605 -5.189 7.657 1.00 0.00 C ATOM 198 C PRO A 15 -7.491 -4.148 7.646 1.00 0.00 C ATOM 199 O PRO A 15 -6.401 -4.398 7.131 1.00 0.00 O ATOM 200 CB PRO A 15 -8.344 -6.239 8.741 1.00 0.00 C ATOM 201 CG PRO A 15 -7.654 -7.352 8.033 1.00 0.00 C ATOM 202 CD PRO A 15 -8.223 -7.374 6.641 1.00 0.00 C ATOM 0 HA PRO A 15 -9.523 -4.621 7.805 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.725 -5.835 9.542 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.275 -6.577 9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.576 -7.192 8.011 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.825 -8.302 8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.480 -7.689 5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.063 -8.064 6.561 1.00 0.00 H new ATOM 210 N ALA A 16 -7.771 -2.981 8.216 1.00 0.00 N ATOM 211 CA ALA A 16 -6.792 -1.903 8.273 1.00 0.00 C ATOM 212 C ALA A 16 -5.381 -2.453 8.455 1.00 0.00 C ATOM 213 O ALA A 16 -4.541 -2.339 7.563 1.00 0.00 O ATOM 214 CB ALA A 16 -7.134 -0.938 9.398 1.00 0.00 C ATOM 0 H ALA A 16 -8.669 -2.758 8.645 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.825 -1.365 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.394 -0.138 9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.122 -0.512 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.131 -1.472 10.349 1.00 0.00 H new ATOM 220 N GLU A 17 -5.128 -3.047 9.617 1.00 0.00 N ATOM 221 CA GLU A 17 -3.817 -3.613 9.915 1.00 0.00 C ATOM 222 C GLU A 17 -3.184 -4.209 8.662 1.00 0.00 C ATOM 223 O GLU A 17 -2.085 -3.823 8.265 1.00 0.00 O ATOM 224 CB GLU A 17 -3.935 -4.685 11.001 1.00 0.00 C ATOM 225 CG GLU A 17 -2.616 -5.007 11.683 1.00 0.00 C ATOM 226 CD GLU A 17 -2.706 -6.227 12.580 1.00 0.00 C ATOM 227 OE1 GLU A 17 -3.458 -6.176 13.575 1.00 0.00 O ATOM 228 OE2 GLU A 17 -2.025 -7.231 12.286 1.00 0.00 O ATOM 0 H GLU A 17 -5.812 -3.149 10.367 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.176 -2.809 10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.651 -4.352 11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.338 -5.596 10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.850 -5.173 10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.298 -4.148 12.274 1.00 0.00 H new ATOM 235 N SER A 18 -3.886 -5.154 8.044 1.00 0.00 N ATOM 236 CA SER A 18 -3.391 -5.808 6.838 1.00 0.00 C ATOM 237 C SER A 18 -3.157 -4.791 5.725 1.00 0.00 C ATOM 238 O SER A 18 -2.113 -4.797 5.073 1.00 0.00 O ATOM 239 CB SER A 18 -4.381 -6.876 6.369 1.00 0.00 C ATOM 240 OG SER A 18 -4.220 -7.149 4.988 1.00 0.00 O ATOM 0 H SER A 18 -4.799 -5.484 8.358 1.00 0.00 H new ATOM 0 HA SER A 18 -2.440 -6.284 7.077 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.233 -7.791 6.943 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.400 -6.541 6.560 1.00 0.00 H new ATOM 0 HG SER A 18 -4.799 -6.554 4.467 1.00 0.00 H new ATOM 246 N VAL A 19 -4.137 -3.919 5.514 1.00 0.00 N ATOM 247 CA VAL A 19 -4.039 -2.894 4.481 1.00 0.00 C ATOM 248 C VAL A 19 -2.746 -2.097 4.619 1.00 0.00 C ATOM 249 O VAL A 19 -1.974 -1.975 3.668 1.00 0.00 O ATOM 250 CB VAL A 19 -5.235 -1.925 4.536 1.00 0.00 C ATOM 251 CG1 VAL A 19 -5.113 -0.864 3.453 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.544 -2.688 4.402 1.00 0.00 C ATOM 0 H VAL A 19 -5.008 -3.901 6.044 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.044 -3.410 3.521 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.231 -1.423 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.967 -0.189 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.193 -0.298 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.092 -1.344 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.379 -1.988 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.561 -3.217 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.632 -3.406 5.218 1.00 0.00 H new ATOM 262 N LYS A 20 -2.516 -1.556 5.811 1.00 0.00 N ATOM 263 CA LYS A 20 -1.316 -0.771 6.076 1.00 0.00 C ATOM 264 C LYS A 20 -0.100 -1.388 5.392 1.00 0.00 C ATOM 265 O LYS A 20 0.742 -0.676 4.844 1.00 0.00 O ATOM 266 CB LYS A 20 -1.071 -0.670 7.583 1.00 0.00 C ATOM 267 CG LYS A 20 0.238 0.012 7.942 1.00 0.00 C ATOM 268 CD LYS A 20 0.585 -0.184 9.408 1.00 0.00 C ATOM 269 CE LYS A 20 1.741 0.710 9.832 1.00 0.00 C ATOM 270 NZ LYS A 20 1.334 2.139 9.920 1.00 0.00 N ATOM 0 H LYS A 20 -3.145 -1.647 6.609 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.469 0.229 5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.894 -0.121 8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.078 -1.672 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.040 -0.387 7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.166 1.077 7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.289 0.034 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.847 -1.227 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.119 0.380 10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.559 0.609 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.071 2.680 10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.208 2.524 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.438 2.213 10.443 1.00 0.00 H new ATOM 284 N ILE A 21 -0.016 -2.713 5.428 1.00 0.00 N ATOM 285 CA ILE A 21 1.095 -3.425 4.809 1.00 0.00 C ATOM 286 C ILE A 21 1.123 -3.196 3.302 1.00 0.00 C ATOM 287 O ILE A 21 2.158 -2.841 2.736 1.00 0.00 O ATOM 288 CB ILE A 21 1.019 -4.938 5.086 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.322 -5.225 6.558 1.00 0.00 C ATOM 290 CG2 ILE A 21 1.986 -5.690 4.184 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.094 -5.212 7.441 1.00 0.00 C ATOM 0 H ILE A 21 -0.704 -3.316 5.879 1.00 0.00 H new ATOM 0 HA ILE A 21 2.009 -3.029 5.251 1.00 0.00 H new ATOM 0 HB ILE A 21 0.008 -5.282 4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.807 -6.198 6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.032 -4.484 6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.921 -6.758 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.728 -5.506 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.003 -5.345 4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.384 -5.423 8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.380 -4.232 7.391 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.608 -5.972 7.099 1.00 0.00 H new ATOM 303 N LEU A 22 -0.020 -3.399 2.657 1.00 0.00 N ATOM 304 CA LEU A 22 -0.128 -3.213 1.214 1.00 0.00 C ATOM 305 C LEU A 22 -0.002 -1.739 0.844 1.00 0.00 C ATOM 306 O LEU A 22 0.840 -1.363 0.028 1.00 0.00 O ATOM 307 CB LEU A 22 -1.461 -3.766 0.707 1.00 0.00 C ATOM 308 CG LEU A 22 -1.663 -5.274 0.858 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.037 -5.682 0.348 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.571 -6.035 0.121 1.00 0.00 C ATOM 0 H LEU A 22 -0.885 -3.692 3.110 1.00 0.00 H new ATOM 0 HA LEU A 22 0.688 -3.758 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.267 -3.257 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.560 -3.510 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.602 -5.525 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.163 -6.759 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.806 -5.163 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.128 -5.417 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.731 -7.107 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.600 -5.779 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.402 -5.766 0.533 1.00 0.00 H new ATOM 322 N ARG A 23 -0.843 -0.908 1.451 1.00 0.00 N ATOM 323 CA ARG A 23 -0.824 0.526 1.186 1.00 0.00 C ATOM 324 C ARG A 23 0.602 1.067 1.223 1.00 0.00 C ATOM 325 O ARG A 23 1.104 1.587 0.226 1.00 0.00 O ATOM 326 CB ARG A 23 -1.689 1.266 2.209 1.00 0.00 C ATOM 327 CG ARG A 23 -3.149 1.379 1.803 1.00 0.00 C ATOM 328 CD ARG A 23 -3.935 2.234 2.785 1.00 0.00 C ATOM 329 NE ARG A 23 -3.652 3.657 2.619 1.00 0.00 N ATOM 330 CZ ARG A 23 -3.835 4.560 3.576 1.00 0.00 C ATOM 331 NH1 ARG A 23 -4.300 4.189 4.761 1.00 0.00 N ATOM 332 NH2 ARG A 23 -3.554 5.836 3.349 1.00 0.00 N ATOM 0 H ARG A 23 -1.546 -1.203 2.129 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.231 0.692 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.626 0.750 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.284 2.267 2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.218 1.812 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.591 0.384 1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.002 2.058 2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.692 1.932 3.804 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.294 3.975 1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.518 3.209 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.440 4.884 5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.197 6.125 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.695 6.528 4.085 1.00 0.00 H new ATOM 346 N ASP A 24 1.247 0.942 2.377 1.00 0.00 N ATOM 347 CA ASP A 24 2.615 1.418 2.544 1.00 0.00 C ATOM 348 C ASP A 24 3.444 1.137 1.294 1.00 0.00 C ATOM 349 O ASP A 24 4.209 1.988 0.841 1.00 0.00 O ATOM 350 CB ASP A 24 3.263 0.757 3.761 1.00 0.00 C ATOM 351 CG ASP A 24 4.397 1.585 4.334 1.00 0.00 C ATOM 352 OD1 ASP A 24 4.221 2.812 4.480 1.00 0.00 O ATOM 353 OD2 ASP A 24 5.460 1.004 4.638 1.00 0.00 O ATOM 0 H ASP A 24 0.844 0.515 3.211 1.00 0.00 H new ATOM 0 HA ASP A 24 2.582 2.496 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.507 0.599 4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.641 -0.226 3.479 1.00 0.00 H new ATOM 358 N TRP A 25 3.288 -0.062 0.745 1.00 0.00 N ATOM 359 CA TRP A 25 4.023 -0.455 -0.452 1.00 0.00 C ATOM 360 C TRP A 25 3.455 0.229 -1.690 1.00 0.00 C ATOM 361 O TRP A 25 4.202 0.674 -2.562 1.00 0.00 O ATOM 362 CB TRP A 25 3.977 -1.974 -0.627 1.00 0.00 C ATOM 363 CG TRP A 25 4.658 -2.449 -1.875 1.00 0.00 C ATOM 364 CD1 TRP A 25 5.897 -3.017 -1.966 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.140 -2.396 -3.208 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.180 -3.320 -3.277 1.00 0.00 N ATOM 367 CE2 TRP A 25 5.117 -2.949 -4.058 1.00 0.00 C ATOM 368 CE3 TRP A 25 2.944 -1.936 -3.767 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.934 -3.053 -5.434 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.764 -2.039 -5.133 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.754 -2.595 -5.954 1.00 0.00 C ATOM 0 H TRP A 25 2.660 -0.778 1.109 1.00 0.00 H new ATOM 0 HA TRP A 25 5.060 -0.141 -0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.446 -2.446 0.236 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.937 -2.299 -0.643 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.557 -3.201 -1.131 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.041 -3.751 -3.613 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.174 -1.508 -3.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.696 -3.480 -6.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.845 -1.685 -5.575 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.582 -2.663 -7.018 1.00 0.00 H new ATOM 382 N MET A 26 2.131 0.311 -1.761 1.00 0.00 N ATOM 383 CA MET A 26 1.464 0.944 -2.893 1.00 0.00 C ATOM 384 C MET A 26 1.958 2.374 -3.085 1.00 0.00 C ATOM 385 O MET A 26 1.970 2.892 -4.202 1.00 0.00 O ATOM 386 CB MET A 26 -0.052 0.939 -2.687 1.00 0.00 C ATOM 387 CG MET A 26 -0.807 1.769 -3.712 1.00 0.00 C ATOM 388 SD MET A 26 -1.228 0.828 -5.192 1.00 0.00 S ATOM 389 CE MET A 26 -3.012 0.991 -5.201 1.00 0.00 C ATOM 0 H MET A 26 1.498 -0.053 -1.048 1.00 0.00 H new ATOM 0 HA MET A 26 1.703 0.372 -3.790 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.413 -0.089 -2.727 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.276 1.317 -1.689 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.720 2.155 -3.260 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.202 2.631 -3.994 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.466 0.015 -5.374 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.347 1.382 -4.240 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.311 1.676 -5.995 1.00 0.00 H new ATOM 399 N TYR A 27 2.365 3.007 -1.990 1.00 0.00 N ATOM 400 CA TYR A 27 2.858 4.378 -2.038 1.00 0.00 C ATOM 401 C TYR A 27 4.160 4.462 -2.829 1.00 0.00 C ATOM 402 O TYR A 27 4.291 5.269 -3.749 1.00 0.00 O ATOM 403 CB TYR A 27 3.073 4.915 -0.622 1.00 0.00 C ATOM 404 CG TYR A 27 3.297 6.409 -0.569 1.00 0.00 C ATOM 405 CD1 TYR A 27 2.457 7.282 -1.250 1.00 0.00 C ATOM 406 CD2 TYR A 27 4.347 6.949 0.164 1.00 0.00 C ATOM 407 CE1 TYR A 27 2.658 8.648 -1.204 1.00 0.00 C ATOM 408 CE2 TYR A 27 4.555 8.313 0.216 1.00 0.00 C ATOM 409 CZ TYR A 27 3.708 9.159 -0.470 1.00 0.00 C ATOM 410 OH TYR A 27 3.911 10.519 -0.421 1.00 0.00 O ATOM 0 H TYR A 27 2.363 2.592 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 27 2.108 4.989 -2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.205 4.664 -0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.932 4.411 -0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.633 6.886 -1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.012 6.290 0.702 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.996 9.312 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.376 8.715 0.790 1.00 0.00 H new ATOM 0 HH TYR A 27 4.691 10.713 0.139 1.00 0.00 H new ATOM 420 N LYS A 28 5.121 3.620 -2.464 1.00 0.00 N ATOM 421 CA LYS A 28 6.413 3.595 -3.139 1.00 0.00 C ATOM 422 C LYS A 28 6.242 3.342 -4.633 1.00 0.00 C ATOM 423 O LYS A 28 6.802 4.060 -5.463 1.00 0.00 O ATOM 424 CB LYS A 28 7.310 2.516 -2.528 1.00 0.00 C ATOM 425 CG LYS A 28 7.529 2.682 -1.034 1.00 0.00 C ATOM 426 CD LYS A 28 8.203 1.461 -0.430 1.00 0.00 C ATOM 427 CE LYS A 28 9.060 1.834 0.770 1.00 0.00 C ATOM 428 NZ LYS A 28 10.336 2.484 0.360 1.00 0.00 N ATOM 0 H LYS A 28 5.029 2.946 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 28 6.883 4.569 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.867 1.538 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.276 2.530 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.142 3.565 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.571 2.851 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.445 0.738 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.823 0.976 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.502 2.508 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.279 0.939 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.956 2.584 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.809 1.898 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.135 3.424 -0.038 1.00 0.00 H new ATOM 442 N HIS A 29 5.464 2.319 -4.970 1.00 0.00 N ATOM 443 CA HIS A 29 5.217 1.973 -6.366 1.00 0.00 C ATOM 444 C HIS A 29 3.982 2.696 -6.895 1.00 0.00 C ATOM 445 O HIS A 29 3.564 2.479 -8.032 1.00 0.00 O ATOM 446 CB HIS A 29 5.040 0.461 -6.515 1.00 0.00 C ATOM 447 CG HIS A 29 6.114 -0.337 -5.841 1.00 0.00 C ATOM 448 ND1 HIS A 29 6.989 -1.151 -6.528 1.00 0.00 N ATOM 449 CD2 HIS A 29 6.452 -0.441 -4.535 1.00 0.00 C ATOM 450 CE1 HIS A 29 7.818 -1.723 -5.673 1.00 0.00 C ATOM 451 NE2 HIS A 29 7.514 -1.308 -4.456 1.00 0.00 N ATOM 0 H HIS A 29 4.994 1.715 -4.296 1.00 0.00 H new ATOM 0 HA HIS A 29 6.080 2.290 -6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.073 0.174 -6.103 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.022 0.208 -7.575 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.975 0.064 -3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.610 -2.413 -5.926 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.990 -1.586 -3.598 1.00 0.00 H new ATOM 460 N ARG A 30 3.403 3.555 -6.062 1.00 0.00 N ATOM 461 CA ARG A 30 2.216 4.308 -6.445 1.00 0.00 C ATOM 462 C ARG A 30 2.274 4.703 -7.918 1.00 0.00 C ATOM 463 O ARG A 30 1.272 4.634 -8.630 1.00 0.00 O ATOM 464 CB ARG A 30 2.077 5.560 -5.576 1.00 0.00 C ATOM 465 CG ARG A 30 3.073 6.654 -5.921 1.00 0.00 C ATOM 466 CD ARG A 30 2.792 7.929 -5.142 1.00 0.00 C ATOM 467 NE ARG A 30 3.679 9.020 -5.538 1.00 0.00 N ATOM 468 CZ ARG A 30 4.963 9.082 -5.203 1.00 0.00 C ATOM 469 NH1 ARG A 30 5.507 8.121 -4.470 1.00 0.00 N ATOM 470 NH2 ARG A 30 5.705 10.107 -5.602 1.00 0.00 N ATOM 0 H ARG A 30 3.737 3.746 -5.118 1.00 0.00 H new ATOM 0 HA ARG A 30 1.347 3.669 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.066 5.954 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.204 5.282 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.084 6.309 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.030 6.863 -6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.756 8.229 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.909 7.735 -4.076 1.00 0.00 H new ATOM 0 HE ARG A 30 3.291 9.776 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.940 7.331 -4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.493 8.171 -4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.290 10.848 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.691 10.154 -5.344 1.00 0.00 H new ATOM 484 N PHE A 31 3.454 5.116 -8.368 1.00 0.00 N ATOM 485 CA PHE A 31 3.642 5.523 -9.756 1.00 0.00 C ATOM 486 C PHE A 31 2.956 4.547 -10.707 1.00 0.00 C ATOM 487 O PHE A 31 2.205 4.951 -11.595 1.00 0.00 O ATOM 488 CB PHE A 31 5.134 5.611 -10.085 1.00 0.00 C ATOM 489 CG PHE A 31 5.802 6.832 -9.521 1.00 0.00 C ATOM 490 CD1 PHE A 31 5.393 8.100 -9.900 1.00 0.00 C ATOM 491 CD2 PHE A 31 6.840 6.711 -8.610 1.00 0.00 C ATOM 492 CE1 PHE A 31 6.005 9.226 -9.382 1.00 0.00 C ATOM 493 CE2 PHE A 31 7.455 7.833 -8.088 1.00 0.00 C ATOM 494 CZ PHE A 31 7.038 9.092 -8.476 1.00 0.00 C ATOM 0 H PHE A 31 4.294 5.178 -7.793 1.00 0.00 H new ATOM 0 HA PHE A 31 3.190 6.506 -9.885 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.635 4.723 -9.701 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.260 5.605 -11.168 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.586 8.210 -10.609 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.171 5.729 -8.305 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.676 10.209 -9.685 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.261 7.726 -7.377 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.519 9.970 -8.071 1.00 0.00 H new ATOM 504 N LYS A 32 3.220 3.259 -10.515 1.00 0.00 N ATOM 505 CA LYS A 32 2.629 2.223 -11.354 1.00 0.00 C ATOM 506 C LYS A 32 1.413 1.602 -10.676 1.00 0.00 C ATOM 507 O LYS A 32 0.370 1.412 -11.302 1.00 0.00 O ATOM 508 CB LYS A 32 3.663 1.138 -11.664 1.00 0.00 C ATOM 509 CG LYS A 32 4.220 0.457 -10.426 1.00 0.00 C ATOM 510 CD LYS A 32 5.351 -0.496 -10.775 1.00 0.00 C ATOM 511 CE LYS A 32 6.688 0.227 -10.841 1.00 0.00 C ATOM 512 NZ LYS A 32 7.707 -0.559 -11.591 1.00 0.00 N ATOM 0 H LYS A 32 3.840 2.907 -9.785 1.00 0.00 H new ATOM 0 HA LYS A 32 2.306 2.686 -12.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.206 0.386 -12.308 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.485 1.581 -12.226 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.581 1.211 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.424 -0.091 -9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.402 -1.290 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.145 -0.971 -11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.553 1.197 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.048 0.418 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.604 -0.033 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.855 -1.475 -11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.375 -0.719 -12.563 1.00 0.00 H new ATOM 526 N ALA A 33 1.552 1.289 -9.391 1.00 0.00 N ATOM 527 CA ALA A 33 0.463 0.693 -8.628 1.00 0.00 C ATOM 528 C ALA A 33 0.235 -0.758 -9.037 1.00 0.00 C ATOM 529 O ALA A 33 -0.891 -1.161 -9.328 1.00 0.00 O ATOM 530 CB ALA A 33 -0.813 1.502 -8.809 1.00 0.00 C ATOM 0 H ALA A 33 2.408 1.439 -8.857 1.00 0.00 H new ATOM 0 HA ALA A 33 0.742 0.706 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.618 1.045 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.650 2.521 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.086 1.520 -9.864 1.00 0.00 H new ATOM 536 N TYR A 34 1.310 -1.537 -9.060 1.00 0.00 N ATOM 537 CA TYR A 34 1.228 -2.943 -9.437 1.00 0.00 C ATOM 538 C TYR A 34 2.453 -3.711 -8.951 1.00 0.00 C ATOM 539 O TYR A 34 3.546 -3.603 -9.508 1.00 0.00 O ATOM 540 CB TYR A 34 1.096 -3.078 -10.955 1.00 0.00 C ATOM 541 CG TYR A 34 -0.293 -2.776 -11.472 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.364 -3.609 -11.171 1.00 0.00 C ATOM 543 CD2 TYR A 34 -0.534 -1.658 -12.261 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.634 -3.337 -11.641 1.00 0.00 C ATOM 545 CE2 TYR A 34 -1.801 -1.377 -12.734 1.00 0.00 C ATOM 546 CZ TYR A 34 -2.847 -2.220 -12.422 1.00 0.00 C ATOM 547 OH TYR A 34 -4.111 -1.944 -12.893 1.00 0.00 O ATOM 0 H TYR A 34 2.249 -1.219 -8.822 1.00 0.00 H new ATOM 0 HA TYR A 34 0.344 -3.369 -8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.807 -2.405 -11.434 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.370 -4.092 -11.246 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.200 -4.484 -10.559 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.284 -0.997 -12.509 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.455 -3.995 -11.398 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.971 -0.503 -13.344 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.768 -2.481 -12.402 1.00 0.00 H new ATOM 557 N PRO A 35 2.269 -4.506 -7.887 1.00 0.00 N ATOM 558 CA PRO A 35 3.347 -5.309 -7.303 1.00 0.00 C ATOM 559 C PRO A 35 3.772 -6.458 -8.211 1.00 0.00 C ATOM 560 O PRO A 35 3.079 -6.790 -9.172 1.00 0.00 O ATOM 561 CB PRO A 35 2.726 -5.849 -6.012 1.00 0.00 C ATOM 562 CG PRO A 35 1.259 -5.855 -6.270 1.00 0.00 C ATOM 563 CD PRO A 35 0.993 -4.683 -7.174 1.00 0.00 C ATOM 0 HA PRO A 35 4.252 -4.723 -7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.092 -6.850 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.975 -5.218 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.949 -6.788 -6.740 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.699 -5.765 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.172 -4.885 -7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.722 -3.792 -6.608 1.00 0.00 H new ATOM 571 N SER A 36 4.915 -7.061 -7.899 1.00 0.00 N ATOM 572 CA SER A 36 5.434 -8.171 -8.689 1.00 0.00 C ATOM 573 C SER A 36 5.097 -9.508 -8.035 1.00 0.00 C ATOM 574 O SER A 36 4.923 -9.589 -6.820 1.00 0.00 O ATOM 575 CB SER A 36 6.948 -8.040 -8.858 1.00 0.00 C ATOM 576 OG SER A 36 7.269 -7.183 -9.940 1.00 0.00 O ATOM 0 H SER A 36 5.499 -6.799 -7.105 1.00 0.00 H new ATOM 0 HA SER A 36 4.962 -8.138 -9.671 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.387 -7.651 -7.939 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.384 -9.024 -9.028 1.00 0.00 H new ATOM 0 HG SER A 36 8.243 -7.115 -10.026 1.00 0.00 H new ATOM 582 N GLU A 37 5.007 -10.553 -8.851 1.00 0.00 N ATOM 583 CA GLU A 37 4.691 -11.886 -8.353 1.00 0.00 C ATOM 584 C GLU A 37 5.410 -12.159 -7.034 1.00 0.00 C ATOM 585 O GLU A 37 4.962 -12.975 -6.229 1.00 0.00 O ATOM 586 CB GLU A 37 5.078 -12.947 -9.386 1.00 0.00 C ATOM 587 CG GLU A 37 5.430 -14.292 -8.774 1.00 0.00 C ATOM 588 CD GLU A 37 5.241 -15.442 -9.744 1.00 0.00 C ATOM 589 OE1 GLU A 37 4.195 -15.478 -10.426 1.00 0.00 O ATOM 590 OE2 GLU A 37 6.139 -16.306 -9.823 1.00 0.00 O ATOM 0 H GLU A 37 5.148 -10.502 -9.860 1.00 0.00 H new ATOM 0 HA GLU A 37 3.616 -11.935 -8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.252 -13.080 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.929 -12.586 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.466 -14.273 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.810 -14.459 -7.893 1.00 0.00 H new ATOM 597 N GLU A 38 6.526 -11.469 -6.822 1.00 0.00 N ATOM 598 CA GLU A 38 7.307 -11.638 -5.603 1.00 0.00 C ATOM 599 C GLU A 38 6.781 -10.735 -4.490 1.00 0.00 C ATOM 600 O GLU A 38 6.580 -11.179 -3.361 1.00 0.00 O ATOM 601 CB GLU A 38 8.783 -11.331 -5.869 1.00 0.00 C ATOM 602 CG GLU A 38 9.582 -12.539 -6.327 1.00 0.00 C ATOM 603 CD GLU A 38 9.527 -12.739 -7.829 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.495 -12.389 -8.438 1.00 0.00 O ATOM 605 OE2 GLU A 38 10.518 -13.246 -8.396 1.00 0.00 O ATOM 0 H GLU A 38 6.909 -10.788 -7.478 1.00 0.00 H new ATOM 0 HA GLU A 38 7.211 -12.675 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.852 -10.551 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.232 -10.932 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.621 -12.422 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.201 -13.432 -5.831 1.00 0.00 H new ATOM 612 N GLU A 39 6.563 -9.466 -4.820 1.00 0.00 N ATOM 613 CA GLU A 39 6.062 -8.500 -3.849 1.00 0.00 C ATOM 614 C GLU A 39 4.822 -9.036 -3.139 1.00 0.00 C ATOM 615 O GLU A 39 4.741 -9.022 -1.910 1.00 0.00 O ATOM 616 CB GLU A 39 5.735 -7.173 -4.537 1.00 0.00 C ATOM 617 CG GLU A 39 6.922 -6.551 -5.254 1.00 0.00 C ATOM 618 CD GLU A 39 8.065 -6.222 -4.312 1.00 0.00 C ATOM 619 OE1 GLU A 39 7.789 -5.873 -3.145 1.00 0.00 O ATOM 620 OE2 GLU A 39 9.233 -6.314 -4.742 1.00 0.00 O ATOM 0 H GLU A 39 6.725 -9.083 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 39 6.842 -8.333 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.931 -7.334 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.361 -6.470 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.276 -7.236 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.600 -5.641 -5.760 1.00 0.00 H new ATOM 627 N LYS A 40 3.857 -9.507 -3.921 1.00 0.00 N ATOM 628 CA LYS A 40 2.620 -10.049 -3.370 1.00 0.00 C ATOM 629 C LYS A 40 2.911 -11.189 -2.399 1.00 0.00 C ATOM 630 O LYS A 40 2.659 -11.074 -1.200 1.00 0.00 O ATOM 631 CB LYS A 40 1.709 -10.543 -4.496 1.00 0.00 C ATOM 632 CG LYS A 40 1.917 -9.813 -5.811 1.00 0.00 C ATOM 633 CD LYS A 40 0.762 -10.050 -6.769 1.00 0.00 C ATOM 634 CE LYS A 40 1.025 -9.417 -8.127 1.00 0.00 C ATOM 635 NZ LYS A 40 -0.020 -9.784 -9.122 1.00 0.00 N ATOM 0 H LYS A 40 3.907 -9.524 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 40 2.114 -9.252 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.881 -11.608 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.670 -10.429 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.021 -8.744 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.847 -10.148 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.603 -11.121 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.154 -9.638 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.061 -8.333 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.002 -9.734 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.195 -9.333 -10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.037 -10.817 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.949 -9.459 -8.786 1.00 0.00 H new ATOM 649 N GLN A 41 3.443 -12.287 -2.926 1.00 0.00 N ATOM 650 CA GLN A 41 3.768 -13.448 -2.104 1.00 0.00 C ATOM 651 C GLN A 41 4.439 -13.022 -0.802 1.00 0.00 C ATOM 652 O GLN A 41 4.331 -13.706 0.215 1.00 0.00 O ATOM 653 CB GLN A 41 4.681 -14.404 -2.874 1.00 0.00 C ATOM 654 CG GLN A 41 4.730 -15.804 -2.285 1.00 0.00 C ATOM 655 CD GLN A 41 3.409 -16.537 -2.410 1.00 0.00 C ATOM 656 OE1 GLN A 41 3.069 -17.050 -3.477 1.00 0.00 O ATOM 657 NE2 GLN A 41 2.655 -16.590 -1.318 1.00 0.00 N ATOM 0 H GLN A 41 3.658 -12.398 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 41 2.838 -13.962 -1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.340 -14.465 -3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.690 -13.992 -2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.509 -16.378 -2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.008 -15.742 -1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.976 -16.151 -0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.755 -17.070 -1.342 1.00 0.00 H new ATOM 666 N MET A 42 5.131 -11.889 -0.842 1.00 0.00 N ATOM 667 CA MET A 42 5.819 -11.372 0.335 1.00 0.00 C ATOM 668 C MET A 42 4.832 -10.719 1.298 1.00 0.00 C ATOM 669 O MET A 42 4.842 -10.998 2.498 1.00 0.00 O ATOM 670 CB MET A 42 6.892 -10.362 -0.077 1.00 0.00 C ATOM 671 CG MET A 42 7.233 -9.359 1.013 1.00 0.00 C ATOM 672 SD MET A 42 8.337 -8.056 0.437 1.00 0.00 S ATOM 673 CE MET A 42 7.157 -6.865 -0.194 1.00 0.00 C ATOM 0 H MET A 42 5.230 -11.311 -1.677 1.00 0.00 H new ATOM 0 HA MET A 42 6.296 -12.210 0.844 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.797 -10.900 -0.360 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.552 -9.823 -0.961 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.313 -8.911 1.389 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.699 -9.881 1.849 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.688 -5.991 -0.570 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.582 -7.316 -1.002 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.482 -6.562 0.607 1.00 0.00 H new ATOM 683 N LEU A 43 3.982 -9.848 0.766 1.00 0.00 N ATOM 684 CA LEU A 43 2.989 -9.154 1.578 1.00 0.00 C ATOM 685 C LEU A 43 1.970 -10.136 2.148 1.00 0.00 C ATOM 686 O LEU A 43 1.614 -10.063 3.324 1.00 0.00 O ATOM 687 CB LEU A 43 2.276 -8.087 0.746 1.00 0.00 C ATOM 688 CG LEU A 43 3.178 -7.090 0.017 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.515 -6.609 -1.264 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.512 -5.913 0.922 1.00 0.00 C ATOM 0 H LEU A 43 3.961 -9.605 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 43 3.506 -8.673 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.651 -8.589 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.608 -7.529 1.402 1.00 0.00 H new ATOM 0 HG LEU A 43 4.107 -7.595 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.171 -5.900 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.327 -7.460 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.570 -6.121 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.155 -5.214 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.592 -5.408 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.029 -6.273 1.811 1.00 0.00 H new ATOM 702 N SER A 44 1.506 -11.054 1.307 1.00 0.00 N ATOM 703 CA SER A 44 0.527 -12.050 1.726 1.00 0.00 C ATOM 704 C SER A 44 0.963 -12.729 3.021 1.00 0.00 C ATOM 705 O SER A 44 0.137 -13.257 3.766 1.00 0.00 O ATOM 706 CB SER A 44 0.332 -13.098 0.629 1.00 0.00 C ATOM 707 OG SER A 44 1.227 -14.184 0.795 1.00 0.00 O ATOM 0 H SER A 44 1.792 -11.129 0.331 1.00 0.00 H new ATOM 0 HA SER A 44 -0.420 -11.540 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.695 -13.463 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.489 -12.640 -0.348 1.00 0.00 H new ATOM 0 HG SER A 44 2.140 -13.888 0.598 1.00 0.00 H new ATOM 713 N GLU A 45 2.266 -12.710 3.282 1.00 0.00 N ATOM 714 CA GLU A 45 2.812 -13.324 4.487 1.00 0.00 C ATOM 715 C GLU A 45 2.523 -12.466 5.715 1.00 0.00 C ATOM 716 O GLU A 45 2.136 -12.976 6.766 1.00 0.00 O ATOM 717 CB GLU A 45 4.321 -13.532 4.341 1.00 0.00 C ATOM 718 CG GLU A 45 4.692 -14.616 3.343 1.00 0.00 C ATOM 719 CD GLU A 45 6.136 -15.061 3.475 1.00 0.00 C ATOM 720 OE1 GLU A 45 7.035 -14.202 3.349 1.00 0.00 O ATOM 721 OE2 GLU A 45 6.368 -16.266 3.703 1.00 0.00 O ATOM 0 H GLU A 45 2.963 -12.277 2.676 1.00 0.00 H new ATOM 0 HA GLU A 45 2.329 -14.292 4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.781 -12.593 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.740 -13.787 5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.036 -15.475 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.520 -14.248 2.332 1.00 0.00 H new ATOM 728 N LYS A 46 2.713 -11.158 5.573 1.00 0.00 N ATOM 729 CA LYS A 46 2.472 -10.227 6.669 1.00 0.00 C ATOM 730 C LYS A 46 0.977 -9.999 6.871 1.00 0.00 C ATOM 731 O LYS A 46 0.495 -9.937 8.002 1.00 0.00 O ATOM 732 CB LYS A 46 3.169 -8.892 6.393 1.00 0.00 C ATOM 733 CG LYS A 46 4.659 -9.028 6.132 1.00 0.00 C ATOM 734 CD LYS A 46 5.157 -7.958 5.174 1.00 0.00 C ATOM 735 CE LYS A 46 6.676 -7.940 5.098 1.00 0.00 C ATOM 736 NZ LYS A 46 7.219 -9.220 4.564 1.00 0.00 N ATOM 0 H LYS A 46 3.033 -10.719 4.710 1.00 0.00 H new ATOM 0 HA LYS A 46 2.881 -10.663 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.699 -8.417 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.017 -8.229 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.202 -8.956 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.868 -10.014 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.744 -8.137 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.796 -6.982 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.998 -7.115 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.087 -7.757 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.213 -9.087 4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.158 -9.956 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.666 -9.512 3.733 1.00 0.00 H new ATOM 750 N THR A 47 0.247 -9.876 5.766 1.00 0.00 N ATOM 751 CA THR A 47 -1.192 -9.656 5.822 1.00 0.00 C ATOM 752 C THR A 47 -1.941 -10.967 6.034 1.00 0.00 C ATOM 753 O THR A 47 -3.075 -10.975 6.512 1.00 0.00 O ATOM 754 CB THR A 47 -1.709 -8.985 4.536 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.458 -9.831 3.408 1.00 0.00 O ATOM 756 CG2 THR A 47 -1.039 -7.636 4.323 1.00 0.00 C ATOM 0 H THR A 47 0.630 -9.925 4.822 1.00 0.00 H new ATOM 0 HA THR A 47 -1.377 -8.994 6.668 1.00 0.00 H new ATOM 0 HB THR A 47 -2.782 -8.827 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.497 -9.844 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.420 -7.181 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.255 -6.985 5.170 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.039 -7.774 4.238 1.00 0.00 H new ATOM 764 N ASN A 48 -1.300 -12.074 5.676 1.00 0.00 N ATOM 765 CA ASN A 48 -1.906 -13.392 5.827 1.00 0.00 C ATOM 766 C ASN A 48 -3.033 -13.592 4.818 1.00 0.00 C ATOM 767 O ASN A 48 -3.988 -14.325 5.074 1.00 0.00 O ATOM 768 CB ASN A 48 -2.443 -13.569 7.249 1.00 0.00 C ATOM 769 CG ASN A 48 -2.702 -15.023 7.592 1.00 0.00 C ATOM 770 OD1 ASN A 48 -3.035 -15.828 6.722 1.00 0.00 O ATOM 771 ND2 ASN A 48 -2.551 -15.367 8.866 1.00 0.00 N ATOM 0 H ASN A 48 -0.360 -12.085 5.279 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.137 -14.141 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.728 -13.153 7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.368 -13.002 7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.712 -16.331 9.156 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.274 -14.667 9.554 1.00 0.00 H new ATOM 778 N LEU A 49 -2.914 -12.934 3.670 1.00 0.00 N ATOM 779 CA LEU A 49 -3.921 -13.039 2.620 1.00 0.00 C ATOM 780 C LEU A 49 -3.436 -13.939 1.487 1.00 0.00 C ATOM 781 O LEU A 49 -2.368 -14.544 1.576 1.00 0.00 O ATOM 782 CB LEU A 49 -4.264 -11.652 2.074 1.00 0.00 C ATOM 783 CG LEU A 49 -4.461 -10.551 3.116 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.371 -9.179 2.466 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.797 -10.720 3.825 1.00 0.00 C ATOM 0 H LEU A 49 -2.130 -12.322 3.443 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.817 -13.484 3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.469 -11.344 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.176 -11.732 1.482 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.666 -10.633 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.514 -8.408 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.391 -9.058 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.144 -9.086 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.920 -9.927 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.605 -10.665 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.824 -11.688 4.325 1.00 0.00 H new ATOM 797 N SER A 50 -4.228 -14.019 0.422 1.00 0.00 N ATOM 798 CA SER A 50 -3.880 -14.846 -0.728 1.00 0.00 C ATOM 799 C SER A 50 -3.629 -13.983 -1.961 1.00 0.00 C ATOM 800 O SER A 50 -4.393 -13.063 -2.255 1.00 0.00 O ATOM 801 CB SER A 50 -4.995 -15.853 -1.015 1.00 0.00 C ATOM 802 OG SER A 50 -4.916 -16.964 -0.138 1.00 0.00 O ATOM 0 H SER A 50 -5.114 -13.522 0.332 1.00 0.00 H new ATOM 0 HA SER A 50 -2.964 -15.387 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.965 -15.368 -0.906 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.924 -16.195 -2.048 1.00 0.00 H new ATOM 0 HG SER A 50 -5.640 -17.593 -0.340 1.00 0.00 H new ATOM 808 N LEU A 51 -2.553 -14.286 -2.678 1.00 0.00 N ATOM 809 CA LEU A 51 -2.199 -13.539 -3.880 1.00 0.00 C ATOM 810 C LEU A 51 -3.449 -13.059 -4.611 1.00 0.00 C ATOM 811 O LEU A 51 -3.497 -11.933 -5.108 1.00 0.00 O ATOM 812 CB LEU A 51 -1.351 -14.406 -4.812 1.00 0.00 C ATOM 813 CG LEU A 51 0.098 -14.638 -4.381 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.156 -15.589 -3.196 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.920 -15.177 -5.542 1.00 0.00 C ATOM 0 H LEU A 51 -1.910 -15.044 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.620 -12.667 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.838 -15.376 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.346 -13.945 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 51 0.524 -13.683 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.195 -15.742 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.398 -15.162 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.287 -16.545 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.948 -15.336 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.496 -16.123 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.906 -14.459 -6.362 1.00 0.00 H new ATOM 827 N LEU A 52 -4.460 -13.919 -4.670 1.00 0.00 N ATOM 828 CA LEU A 52 -5.713 -13.583 -5.337 1.00 0.00 C ATOM 829 C LEU A 52 -6.337 -12.333 -4.726 1.00 0.00 C ATOM 830 O LEU A 52 -6.732 -11.412 -5.441 1.00 0.00 O ATOM 831 CB LEU A 52 -6.693 -14.753 -5.245 1.00 0.00 C ATOM 832 CG LEU A 52 -8.143 -14.446 -5.622 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.234 -14.007 -7.076 1.00 0.00 C ATOM 834 CD2 LEU A 52 -9.027 -15.659 -5.373 1.00 0.00 C ATOM 0 H LEU A 52 -4.436 -14.854 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.495 -13.382 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.333 -15.554 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.677 -15.135 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.497 -13.629 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.273 -13.793 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.633 -13.110 -7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.862 -14.803 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.055 -15.422 -5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.674 -16.496 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.986 -15.929 -4.318 1.00 0.00 H new ATOM 846 N GLN A 53 -6.420 -12.307 -3.400 1.00 0.00 N ATOM 847 CA GLN A 53 -6.995 -11.169 -2.693 1.00 0.00 C ATOM 848 C GLN A 53 -6.054 -9.969 -2.737 1.00 0.00 C ATOM 849 O GLN A 53 -6.497 -8.820 -2.738 1.00 0.00 O ATOM 850 CB GLN A 53 -7.296 -11.542 -1.240 1.00 0.00 C ATOM 851 CG GLN A 53 -8.520 -12.430 -1.082 1.00 0.00 C ATOM 852 CD GLN A 53 -9.198 -12.255 0.263 1.00 0.00 C ATOM 853 OE1 GLN A 53 -10.324 -11.764 0.344 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.514 -12.657 1.328 1.00 0.00 N ATOM 0 H GLN A 53 -6.096 -13.061 -2.794 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.926 -10.897 -3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.430 -12.052 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.442 -10.630 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.232 -12.205 -1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.226 -13.473 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.583 -13.059 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.919 -12.564 2.259 1.00 0.00 H new ATOM 863 N ILE A 54 -4.754 -10.244 -2.772 1.00 0.00 N ATOM 864 CA ILE A 54 -3.752 -9.187 -2.816 1.00 0.00 C ATOM 865 C ILE A 54 -3.951 -8.291 -4.034 1.00 0.00 C ATOM 866 O ILE A 54 -4.323 -7.125 -3.906 1.00 0.00 O ATOM 867 CB ILE A 54 -2.325 -9.765 -2.846 1.00 0.00 C ATOM 868 CG1 ILE A 54 -2.069 -10.614 -1.599 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.301 -8.645 -2.950 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.113 -9.823 -0.310 1.00 0.00 C ATOM 0 H ILE A 54 -4.371 -11.189 -2.771 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.877 -8.596 -1.909 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.226 -10.403 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.812 -11.410 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.094 -11.093 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.298 -9.070 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.473 -8.078 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.397 -7.983 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.923 -10.489 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.352 -9.043 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.096 -9.366 -0.197 1.00 0.00 H new ATOM 882 N SER A 55 -3.702 -8.845 -5.216 1.00 0.00 N ATOM 883 CA SER A 55 -3.852 -8.096 -6.459 1.00 0.00 C ATOM 884 C SER A 55 -5.268 -7.546 -6.593 1.00 0.00 C ATOM 885 O SER A 55 -5.462 -6.367 -6.888 1.00 0.00 O ATOM 886 CB SER A 55 -3.522 -8.986 -7.658 1.00 0.00 C ATOM 887 OG SER A 55 -3.070 -8.214 -8.757 1.00 0.00 O ATOM 0 H SER A 55 -3.395 -9.810 -5.340 1.00 0.00 H new ATOM 0 HA SER A 55 -3.156 -7.258 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.756 -9.709 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.406 -9.554 -7.948 1.00 0.00 H new ATOM 0 HG SER A 55 -2.864 -8.806 -9.510 1.00 0.00 H new ATOM 893 N ASN A 56 -6.255 -8.409 -6.376 1.00 0.00 N ATOM 894 CA ASN A 56 -7.654 -8.010 -6.473 1.00 0.00 C ATOM 895 C ASN A 56 -7.912 -6.732 -5.682 1.00 0.00 C ATOM 896 O ASN A 56 -8.640 -5.847 -6.133 1.00 0.00 O ATOM 897 CB ASN A 56 -8.562 -9.131 -5.962 1.00 0.00 C ATOM 898 CG ASN A 56 -8.632 -10.302 -6.924 1.00 0.00 C ATOM 899 OD1 ASN A 56 -9.421 -11.310 -6.572 1.00 0.00 O flip ATOM 900 ND2 ASN A 56 -7.984 -10.300 -7.970 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.112 -9.389 -6.132 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.879 -7.818 -7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.196 -9.479 -4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.565 -8.737 -5.800 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.390 -9.503 -8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.041 -11.095 -8.607 1.00 0.00 H new ATOM 907 N TRP A 57 -7.310 -6.641 -4.502 1.00 0.00 N ATOM 908 CA TRP A 57 -7.474 -5.470 -3.648 1.00 0.00 C ATOM 909 C TRP A 57 -6.876 -4.231 -4.304 1.00 0.00 C ATOM 910 O TRP A 57 -7.494 -3.166 -4.319 1.00 0.00 O ATOM 911 CB TRP A 57 -6.817 -5.710 -2.287 1.00 0.00 C ATOM 912 CG TRP A 57 -6.625 -4.455 -1.491 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.505 -3.905 -0.603 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.483 -3.592 -1.514 1.00 0.00 C ATOM 915 NE1 TRP A 57 -6.978 -2.753 -0.071 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.738 -2.539 -0.613 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.268 -3.607 -2.205 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.823 -1.513 -0.389 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.362 -2.588 -1.982 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.643 -1.553 -1.080 1.00 0.00 C ATOM 0 H TRP A 57 -6.704 -7.364 -4.114 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.541 -5.302 -3.503 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.430 -6.405 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.849 -6.188 -2.438 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.473 -4.315 -0.355 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.436 -2.154 0.616 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.041 -4.401 -2.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.037 -0.714 0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.421 -2.589 -2.512 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.913 -0.771 -0.927 1.00 0.00 H new ATOM 931 N PHE A 58 -5.671 -4.375 -4.845 1.00 0.00 N ATOM 932 CA PHE A 58 -4.990 -3.266 -5.502 1.00 0.00 C ATOM 933 C PHE A 58 -5.868 -2.656 -6.591 1.00 0.00 C ATOM 934 O PHE A 58 -5.880 -1.440 -6.785 1.00 0.00 O ATOM 935 CB PHE A 58 -3.665 -3.739 -6.105 1.00 0.00 C ATOM 936 CG PHE A 58 -2.504 -3.633 -5.158 1.00 0.00 C ATOM 937 CD1 PHE A 58 -2.184 -4.684 -4.314 1.00 0.00 C ATOM 938 CD2 PHE A 58 -1.734 -2.482 -5.112 1.00 0.00 C ATOM 939 CE1 PHE A 58 -1.116 -4.590 -3.441 1.00 0.00 C ATOM 940 CE2 PHE A 58 -0.664 -2.383 -4.242 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.356 -3.437 -3.405 1.00 0.00 C ATOM 0 H PHE A 58 -5.146 -5.249 -4.841 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.788 -2.501 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.770 -4.776 -6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.451 -3.151 -6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.776 -5.587 -4.338 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.972 -1.653 -5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.876 -5.416 -2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.069 -1.482 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.478 -3.360 -2.723 1.00 0.00 H new ATOM 951 N ILE A 59 -6.602 -3.509 -7.297 1.00 0.00 N ATOM 952 CA ILE A 59 -7.483 -3.055 -8.366 1.00 0.00 C ATOM 953 C ILE A 59 -8.394 -1.930 -7.886 1.00 0.00 C ATOM 954 O ILE A 59 -8.311 -0.802 -8.370 1.00 0.00 O ATOM 955 CB ILE A 59 -8.350 -4.207 -8.908 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.465 -5.320 -9.471 1.00 0.00 C ATOM 957 CG2 ILE A 59 -9.307 -3.693 -9.973 1.00 0.00 C ATOM 958 CD1 ILE A 59 -8.169 -6.654 -9.584 1.00 0.00 C ATOM 0 H ILE A 59 -6.604 -4.518 -7.148 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.843 -2.685 -9.167 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.938 -4.617 -8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.106 -5.024 -10.456 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.589 -5.434 -8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.913 -4.518 -10.347 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.957 -2.932 -9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.738 -3.260 -10.795 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.481 -7.395 -9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.505 -6.973 -8.597 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.029 -6.556 -10.246 1.00 0.00 H new ATOM 970 N ASN A 60 -9.261 -2.246 -6.930 1.00 0.00 N ATOM 971 CA ASN A 60 -10.188 -1.261 -6.383 1.00 0.00 C ATOM 972 C ASN A 60 -9.440 -0.192 -5.590 1.00 0.00 C ATOM 973 O ASN A 60 -9.872 0.957 -5.518 1.00 0.00 O ATOM 974 CB ASN A 60 -11.222 -1.945 -5.487 1.00 0.00 C ATOM 975 CG ASN A 60 -11.634 -3.306 -6.016 1.00 0.00 C ATOM 976 OD1 ASN A 60 -11.328 -4.336 -5.415 1.00 0.00 O ATOM 977 ND2 ASN A 60 -12.332 -3.315 -7.145 1.00 0.00 N ATOM 0 H ASN A 60 -9.341 -3.176 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.700 -0.780 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.812 -2.057 -4.483 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.103 -1.309 -5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.637 -4.201 -7.549 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.563 -2.436 -7.609 1.00 0.00 H new ATOM 984 N ALA A 61 -8.316 -0.581 -4.998 1.00 0.00 N ATOM 985 CA ALA A 61 -7.507 0.343 -4.213 1.00 0.00 C ATOM 986 C ALA A 61 -6.950 1.463 -5.086 1.00 0.00 C ATOM 987 O ALA A 61 -6.887 2.618 -4.665 1.00 0.00 O ATOM 988 CB ALA A 61 -6.374 -0.403 -3.523 1.00 0.00 C ATOM 0 H ALA A 61 -7.945 -1.530 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.147 0.793 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.778 0.299 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.789 -1.163 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.743 -0.880 -4.273 1.00 0.00 H new ATOM 994 N ARG A 62 -6.548 1.113 -6.304 1.00 0.00 N ATOM 995 CA ARG A 62 -5.995 2.089 -7.235 1.00 0.00 C ATOM 996 C ARG A 62 -7.076 3.049 -7.722 1.00 0.00 C ATOM 997 O ARG A 62 -6.807 3.952 -8.515 1.00 0.00 O ATOM 998 CB ARG A 62 -5.352 1.380 -8.428 1.00 0.00 C ATOM 999 CG ARG A 62 -4.151 0.527 -8.055 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.902 -0.565 -9.084 1.00 0.00 C ATOM 1001 NE ARG A 62 -3.712 -0.020 -10.425 1.00 0.00 N ATOM 1002 CZ ARG A 62 -4.689 0.095 -11.317 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -5.919 -0.295 -11.012 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -4.438 0.601 -12.518 1.00 0.00 N ATOM 0 H ARG A 62 -6.595 0.162 -6.668 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.233 2.664 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.099 0.750 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.044 2.126 -9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.267 1.159 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.314 0.076 -7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.021 -1.139 -8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.744 -1.257 -9.090 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.777 0.289 -10.691 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.117 -0.684 -10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.668 -0.205 -11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.493 0.902 -12.757 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.190 0.689 -13.202 1.00 0.00 H new ATOM 1018 N ARG A 63 -8.299 2.848 -7.242 1.00 0.00 N ATOM 1019 CA ARG A 63 -9.421 3.694 -7.630 1.00 0.00 C ATOM 1020 C ARG A 63 -9.763 4.685 -6.521 1.00 0.00 C ATOM 1021 O ARG A 63 -10.346 5.739 -6.775 1.00 0.00 O ATOM 1022 CB ARG A 63 -10.644 2.836 -7.958 1.00 0.00 C ATOM 1023 CG ARG A 63 -10.619 2.250 -9.360 1.00 0.00 C ATOM 1024 CD ARG A 63 -11.670 1.164 -9.529 1.00 0.00 C ATOM 1025 NE ARG A 63 -11.330 0.235 -10.603 1.00 0.00 N ATOM 1026 CZ ARG A 63 -12.180 -0.657 -11.100 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -13.414 -0.740 -10.622 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -11.796 -1.468 -12.077 1.00 0.00 N ATOM 0 H ARG A 63 -8.538 2.106 -6.584 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.131 4.255 -8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.711 2.023 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.543 3.441 -7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.792 3.041 -10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.631 1.837 -9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.776 0.614 -8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.636 1.624 -9.740 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.388 0.273 -10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.713 -0.118 -9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.064 -1.426 -11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.848 -1.407 -12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.449 -2.153 -12.458 1.00 0.00 H new ATOM 1042 N ARG A 64 -9.397 4.338 -5.292 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.667 5.196 -4.144 1.00 0.00 C ATOM 1044 C ARG A 64 -8.383 5.494 -3.374 1.00 0.00 C ATOM 1045 O ARG A 64 -8.140 6.632 -2.971 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.689 4.537 -3.217 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.551 5.530 -2.455 1.00 0.00 C ATOM 1048 CD ARG A 64 -10.905 5.935 -1.140 1.00 0.00 C ATOM 1049 NE ARG A 64 -11.765 6.817 -0.356 1.00 0.00 N ATOM 1050 CZ ARG A 64 -11.506 7.173 0.898 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -10.416 6.725 1.505 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -12.337 7.979 1.545 1.00 0.00 N ATOM 0 H ARG A 64 -8.913 3.469 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.076 6.137 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.335 3.886 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.163 3.903 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.716 6.416 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.529 5.090 -2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.676 5.042 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.958 6.437 -1.341 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.611 7.180 -0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.774 6.106 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.219 6.999 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.176 8.326 1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.137 8.252 2.507 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.567 4.465 -3.174 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.309 4.617 -2.454 1.00 0.00 C ATOM 1068 C ILE A 65 -5.278 5.358 -3.298 1.00 0.00 C ATOM 1069 O ILE A 65 -4.833 6.448 -2.938 1.00 0.00 O ATOM 1070 CB ILE A 65 -5.730 3.252 -2.038 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -6.703 2.522 -1.109 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.379 3.433 -1.362 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.135 1.250 -0.518 1.00 0.00 C ATOM 0 H ILE A 65 -7.754 3.517 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.527 5.198 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.588 2.646 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.991 3.192 -0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.611 2.282 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.983 2.459 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.688 3.916 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.497 4.054 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.879 0.786 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.873 0.561 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.244 1.485 0.064 1.00 0.00 H new ATOM 1085 N LEU A 66 -4.904 4.761 -4.424 1.00 0.00 N ATOM 1086 CA LEU A 66 -3.926 5.365 -5.322 1.00 0.00 C ATOM 1087 C LEU A 66 -4.163 6.866 -5.455 1.00 0.00 C ATOM 1088 O LEU A 66 -3.257 7.680 -5.278 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.992 4.703 -6.700 1.00 0.00 C ATOM 1090 CG LEU A 66 -3.278 5.439 -7.833 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.949 6.000 -7.351 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -3.068 4.513 -9.022 1.00 0.00 C ATOM 0 H LEU A 66 -5.263 3.859 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.934 5.208 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.569 3.702 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.040 4.585 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.906 6.271 -8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.455 6.521 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.124 6.697 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.314 5.185 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.558 5.054 -9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.461 3.661 -8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.034 4.160 -9.383 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.411 7.242 -5.772 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.797 8.647 -5.933 1.00 0.00 C ATOM 1106 C PRO A 67 -5.801 9.403 -4.608 1.00 0.00 C ATOM 1107 O PRO A 67 -5.716 10.631 -4.583 1.00 0.00 O ATOM 1108 CB PRO A 67 -7.215 8.562 -6.504 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.731 7.244 -6.042 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.541 6.326 -5.998 1.00 0.00 C ATOM 0 HA PRO A 67 -5.098 9.191 -6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.837 9.380 -6.141 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.208 8.625 -7.592 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.195 7.329 -5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.493 6.863 -6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.629 5.592 -5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.428 5.770 -6.929 1.00 0.00 H new ATOM 1118 N ASP A 68 -5.899 8.661 -3.510 1.00 0.00 N ATOM 1119 CA ASP A 68 -5.913 9.261 -2.181 1.00 0.00 C ATOM 1120 C ASP A 68 -4.495 9.565 -1.708 1.00 0.00 C ATOM 1121 O ASP A 68 -4.257 10.563 -1.028 1.00 0.00 O ATOM 1122 CB ASP A 68 -6.608 8.332 -1.185 1.00 0.00 C ATOM 1123 CG ASP A 68 -8.102 8.576 -1.111 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -8.701 8.911 -2.155 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -8.673 8.431 -0.010 1.00 0.00 O ATOM 0 H ASP A 68 -5.970 7.643 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.467 10.198 -2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.426 7.296 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.171 8.472 -0.196 1.00 0.00 H new