USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 856 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 71 MET CE :methyl 165:sc= -0.113 (180deg=-0.493) USER MOD Set 1.2: A 87 CYS SG : rot -102:sc= -1.06! USER MOD Set 2.1: A 24 GLN : amide:sc= -0.704! K(o=-0.59!,f=1.4) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.112 K(o=-0.59,f=1.4) USER MOD Single : A 20 SER OG : rot 56:sc= 1.08 USER MOD Single : A 34 HIS : no HE2:sc= 0.803 K(o=0.8,f=-4.1!) USER MOD Single : A 37 SER OG : rot -8:sc= 0.96 USER MOD Single : A 39 HIS : no HD1:sc= -4.11! C(o=-4.1!,f=-6.1!) USER MOD Single : A 45 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.7!) USER MOD Single : A 47 GLN : amide:sc= 0.013 X(o=0.013,f=-0.47) USER MOD Single : A 54 GLN : amide:sc= -1.04 K(o=-1,f=-0.043) USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.375 K(o=-0.38,f=-4.7!) USER MOD Single : A 89 HIS : no HD1:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 94 SER OG : rot -30:sc= 0.914 USER MOD Single : A 96 SER OG : rot 81:sc= 1.25 USER MOD Single : A 97 HIS : no HD1:sc= -0.58 K(o=-0.58,f=-3.4!) USER MOD Single : A 105 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 121 SER OG : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 237 N ILE A 14 0.055 7.905 -16.586 1.00 0.00 N ATOM 238 CA ILE A 14 0.520 7.583 -15.251 1.00 0.00 C ATOM 239 C ILE A 14 0.644 6.079 -15.074 1.00 0.00 C ATOM 240 O ILE A 14 -0.293 5.390 -14.663 1.00 0.00 O ATOM 241 CB ILE A 14 -0.370 8.201 -14.150 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.318 9.727 -14.240 1.00 0.00 C ATOM 243 CG2 ILE A 14 0.090 7.747 -12.771 1.00 0.00 C ATOM 244 CD1 ILE A 14 1.079 10.285 -14.064 1.00 0.00 C ATOM 0 HA ILE A 14 1.508 8.029 -15.140 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.396 7.864 -14.301 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.709 10.042 -15.208 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.971 10.152 -13.478 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.549 8.193 -12.009 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.028 6.661 -12.706 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.121 8.062 -12.609 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.049 11.372 -14.138 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.464 9.999 -13.085 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.731 9.886 -14.841 1.00 0.00 H new ATOM 256 N ALA A 15 1.828 5.598 -15.417 1.00 0.00 N ATOM 257 CA ALA A 15 2.211 4.210 -15.265 1.00 0.00 C ATOM 258 C ALA A 15 3.695 4.087 -15.553 1.00 0.00 C ATOM 259 O ALA A 15 4.174 4.529 -16.597 1.00 0.00 O ATOM 260 CB ALA A 15 1.418 3.305 -16.195 1.00 0.00 C ATOM 0 H ALA A 15 2.565 6.179 -15.818 1.00 0.00 H new ATOM 0 HA ALA A 15 1.994 3.892 -14.245 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.733 2.271 -16.053 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.355 3.395 -15.971 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.597 3.600 -17.229 1.00 0.00 H new ATOM 266 N PHE A 16 4.424 3.502 -14.627 1.00 0.00 N ATOM 267 CA PHE A 16 5.869 3.426 -14.745 1.00 0.00 C ATOM 268 C PHE A 16 6.267 2.106 -15.387 1.00 0.00 C ATOM 269 O PHE A 16 7.446 1.760 -15.439 1.00 0.00 O ATOM 270 CB PHE A 16 6.510 3.562 -13.366 1.00 0.00 C ATOM 271 CG PHE A 16 5.709 4.412 -12.415 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.571 5.781 -12.614 1.00 0.00 C ATOM 273 CD2 PHE A 16 5.091 3.833 -11.319 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.833 6.548 -11.734 1.00 0.00 C ATOM 275 CE2 PHE A 16 4.352 4.595 -10.440 1.00 0.00 C ATOM 276 CZ PHE A 16 4.223 5.956 -10.646 1.00 0.00 C ATOM 0 H PHE A 16 4.043 3.072 -13.784 1.00 0.00 H new ATOM 0 HA PHE A 16 6.221 4.242 -15.376 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.639 2.570 -12.934 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.505 3.993 -13.477 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.045 6.249 -13.464 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.189 2.771 -11.151 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.733 7.611 -11.897 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.874 4.129 -9.591 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.646 6.555 -9.957 1.00 0.00 H new ATOM 286 N ASP A 17 5.255 1.391 -15.882 1.00 0.00 N ATOM 287 CA ASP A 17 5.425 0.069 -16.483 1.00 0.00 C ATOM 288 C ASP A 17 6.151 -0.856 -15.515 1.00 0.00 C ATOM 289 O ASP A 17 7.368 -1.043 -15.595 1.00 0.00 O ATOM 290 CB ASP A 17 6.168 0.159 -17.819 1.00 0.00 C ATOM 291 CG ASP A 17 5.977 -1.084 -18.667 1.00 0.00 C ATOM 292 OD1 ASP A 17 6.878 -1.947 -18.679 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.919 -1.198 -19.325 1.00 0.00 O ATOM 0 H ASP A 17 4.288 1.716 -15.877 1.00 0.00 H new ATOM 0 HA ASP A 17 4.438 -0.346 -16.686 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.815 1.030 -18.371 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.231 0.309 -17.632 1.00 0.00 H new ATOM 298 N ALA A 18 5.396 -1.408 -14.580 1.00 0.00 N ATOM 299 CA ALA A 18 5.970 -2.182 -13.494 1.00 0.00 C ATOM 300 C ALA A 18 5.187 -3.467 -13.267 1.00 0.00 C ATOM 301 O ALA A 18 4.149 -3.692 -13.894 1.00 0.00 O ATOM 302 CB ALA A 18 6.003 -1.343 -12.224 1.00 0.00 C ATOM 0 H ALA A 18 4.379 -1.333 -14.552 1.00 0.00 H new ATOM 0 HA ALA A 18 6.989 -2.457 -13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.435 -1.929 -11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.609 -0.453 -12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.989 -1.046 -11.958 1.00 0.00 H new ATOM 308 N ASP A 19 5.690 -4.303 -12.367 1.00 0.00 N ATOM 309 CA ASP A 19 5.039 -5.562 -12.046 1.00 0.00 C ATOM 310 C ASP A 19 3.909 -5.316 -11.061 1.00 0.00 C ATOM 311 O ASP A 19 4.145 -4.987 -9.897 1.00 0.00 O ATOM 312 CB ASP A 19 6.039 -6.561 -11.455 1.00 0.00 C ATOM 313 CG ASP A 19 7.250 -6.767 -12.339 1.00 0.00 C ATOM 314 OD1 ASP A 19 8.260 -6.059 -12.143 1.00 0.00 O ATOM 315 OD2 ASP A 19 7.201 -7.633 -13.238 1.00 0.00 O ATOM 0 H ASP A 19 6.550 -4.129 -11.846 1.00 0.00 H new ATOM 0 HA ASP A 19 4.636 -5.987 -12.965 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.364 -6.208 -10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.541 -7.518 -11.299 1.00 0.00 H new ATOM 320 N SER A 20 2.688 -5.448 -11.536 1.00 0.00 N ATOM 321 CA SER A 20 1.521 -5.185 -10.718 1.00 0.00 C ATOM 322 C SER A 20 0.667 -6.434 -10.566 1.00 0.00 C ATOM 323 O SER A 20 0.195 -7.004 -11.550 1.00 0.00 O ATOM 324 CB SER A 20 0.707 -4.045 -11.331 1.00 0.00 C ATOM 325 OG SER A 20 0.632 -4.164 -12.744 1.00 0.00 O ATOM 0 H SER A 20 2.477 -5.738 -12.491 1.00 0.00 H new ATOM 0 HA SER A 20 1.853 -4.889 -9.723 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.299 -4.047 -10.910 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.161 -3.089 -11.068 1.00 0.00 H new ATOM 0 HG SER A 20 0.265 -5.042 -12.979 1.00 0.00 H new ATOM 331 N GLU A 21 0.480 -6.865 -9.331 1.00 0.00 N ATOM 332 CA GLU A 21 -0.346 -8.024 -9.051 1.00 0.00 C ATOM 333 C GLU A 21 -1.560 -7.614 -8.237 1.00 0.00 C ATOM 334 O GLU A 21 -1.447 -6.818 -7.303 1.00 0.00 O ATOM 335 CB GLU A 21 0.442 -9.082 -8.279 1.00 0.00 C ATOM 336 CG GLU A 21 1.806 -9.395 -8.865 1.00 0.00 C ATOM 337 CD GLU A 21 2.597 -10.343 -7.990 1.00 0.00 C ATOM 338 OE1 GLU A 21 2.589 -11.561 -8.258 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.216 -9.875 -7.016 1.00 0.00 O ATOM 0 H GLU A 21 0.890 -6.428 -8.505 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.666 -8.447 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.570 -8.744 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.144 -10.000 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.683 -9.834 -9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.366 -8.469 -8.994 1.00 0.00 H new ATOM 346 N ILE A 22 -2.713 -8.140 -8.602 1.00 0.00 N ATOM 347 CA ILE A 22 -3.921 -7.943 -7.825 1.00 0.00 C ATOM 348 C ILE A 22 -4.219 -9.204 -7.034 1.00 0.00 C ATOM 349 O ILE A 22 -4.409 -10.280 -7.604 1.00 0.00 O ATOM 350 CB ILE A 22 -5.132 -7.579 -8.708 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.889 -6.238 -9.401 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.406 -7.524 -7.873 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.980 -5.846 -10.373 1.00 0.00 C ATOM 0 H ILE A 22 -2.839 -8.711 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.751 -7.104 -7.150 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.255 -8.351 -9.468 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.794 -5.460 -8.643 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.939 -6.282 -9.934 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.250 -7.266 -8.513 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.583 -8.497 -7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.298 -6.770 -7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.737 -4.884 -10.824 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.061 -6.603 -11.153 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.929 -5.768 -9.843 1.00 0.00 H new ATOM 365 N LEU A 23 -4.231 -9.072 -5.721 1.00 0.00 N ATOM 366 CA LEU A 23 -4.441 -10.212 -4.849 1.00 0.00 C ATOM 367 C LEU A 23 -5.888 -10.268 -4.386 1.00 0.00 C ATOM 368 O LEU A 23 -6.352 -9.382 -3.664 1.00 0.00 O ATOM 369 CB LEU A 23 -3.515 -10.130 -3.630 1.00 0.00 C ATOM 370 CG LEU A 23 -2.052 -9.790 -3.932 1.00 0.00 C ATOM 371 CD1 LEU A 23 -1.250 -9.713 -2.643 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.441 -10.812 -4.878 1.00 0.00 C ATOM 0 H LEU A 23 -4.098 -8.186 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.212 -11.117 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.910 -9.379 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.547 -11.086 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.022 -8.816 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.213 -9.471 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.669 -8.939 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.293 -10.674 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.402 -10.548 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.483 -11.801 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.999 -10.820 -5.814 1.00 0.00 H new ATOM 384 N GLN A 24 -6.606 -11.294 -4.817 1.00 0.00 N ATOM 385 CA GLN A 24 -7.952 -11.529 -4.330 1.00 0.00 C ATOM 386 C GLN A 24 -7.886 -12.484 -3.150 1.00 0.00 C ATOM 387 O GLN A 24 -8.086 -13.693 -3.295 1.00 0.00 O ATOM 388 CB GLN A 24 -8.854 -12.101 -5.427 1.00 0.00 C ATOM 389 CG GLN A 24 -10.293 -12.293 -4.977 1.00 0.00 C ATOM 390 CD GLN A 24 -11.173 -12.933 -6.031 1.00 0.00 C ATOM 391 OE1 GLN A 24 -10.713 -13.714 -6.859 1.00 0.00 O ATOM 392 NE2 GLN A 24 -12.450 -12.598 -6.009 1.00 0.00 N ATOM 0 H GLN A 24 -6.278 -11.975 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.385 -10.578 -4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.835 -11.434 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.452 -13.059 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.306 -12.911 -4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.712 -11.325 -4.703 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.794 -11.945 -5.305 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.092 -12.992 -6.696 1.00 0.00 H new ATOM 401 N GLY A 25 -7.547 -11.937 -1.990 1.00 0.00 N ATOM 402 CA GLY A 25 -7.370 -12.749 -0.805 1.00 0.00 C ATOM 403 C GLY A 25 -6.093 -13.568 -0.861 1.00 0.00 C ATOM 404 O GLY A 25 -5.120 -13.271 -0.165 1.00 0.00 O ATOM 0 H GLY A 25 -7.391 -10.939 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.350 -12.106 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.224 -13.417 -0.692 1.00 0.00 H new ATOM 408 N GLU A 26 -6.094 -14.586 -1.709 1.00 0.00 N ATOM 409 CA GLU A 26 -4.962 -15.494 -1.826 1.00 0.00 C ATOM 410 C GLU A 26 -4.584 -15.718 -3.289 1.00 0.00 C ATOM 411 O GLU A 26 -3.467 -16.132 -3.595 1.00 0.00 O ATOM 412 CB GLU A 26 -5.309 -16.828 -1.168 1.00 0.00 C ATOM 413 CG GLU A 26 -6.458 -17.552 -1.851 1.00 0.00 C ATOM 414 CD GLU A 26 -6.861 -18.819 -1.137 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.034 -19.750 -1.046 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.017 -18.900 -0.675 1.00 0.00 O ATOM 0 H GLU A 26 -6.872 -14.805 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.106 -15.046 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.428 -17.470 -1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.567 -16.654 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.318 -16.885 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.172 -17.793 -2.875 1.00 0.00 H new ATOM 423 N ARG A 27 -5.516 -15.440 -4.192 1.00 0.00 N ATOM 424 CA ARG A 27 -5.292 -15.690 -5.606 1.00 0.00 C ATOM 425 C ARG A 27 -4.701 -14.452 -6.267 1.00 0.00 C ATOM 426 O ARG A 27 -5.211 -13.344 -6.113 1.00 0.00 O ATOM 427 CB ARG A 27 -6.598 -16.127 -6.277 1.00 0.00 C ATOM 428 CG ARG A 27 -6.454 -16.579 -7.726 1.00 0.00 C ATOM 429 CD ARG A 27 -5.212 -17.436 -7.956 1.00 0.00 C ATOM 430 NE ARG A 27 -5.037 -18.480 -6.949 1.00 0.00 N ATOM 431 CZ ARG A 27 -3.917 -19.195 -6.818 1.00 0.00 C ATOM 432 NH1 ARG A 27 -2.933 -19.059 -7.702 1.00 0.00 N ATOM 433 NH2 ARG A 27 -3.794 -20.065 -5.825 1.00 0.00 N ATOM 0 H ARG A 27 -6.429 -15.043 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.574 -16.502 -5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.032 -16.943 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.305 -15.298 -6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.339 -17.145 -8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.410 -15.703 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.275 -17.898 -8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.331 -16.794 -7.961 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.811 -18.673 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.033 -18.408 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.078 -19.606 -7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.556 -20.189 -5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.937 -20.610 -5.727 1.00 0.00 H new ATOM 447 N ARG A 28 -3.615 -14.658 -6.995 1.00 0.00 N ATOM 448 CA ARG A 28 -2.798 -13.565 -7.503 1.00 0.00 C ATOM 449 C ARG A 28 -2.939 -13.427 -9.014 1.00 0.00 C ATOM 450 O ARG A 28 -2.678 -14.369 -9.759 1.00 0.00 O ATOM 451 CB ARG A 28 -1.337 -13.838 -7.129 1.00 0.00 C ATOM 452 CG ARG A 28 -1.180 -14.236 -5.670 1.00 0.00 C ATOM 453 CD ARG A 28 0.127 -14.956 -5.396 1.00 0.00 C ATOM 454 NE ARG A 28 0.113 -15.583 -4.076 1.00 0.00 N ATOM 455 CZ ARG A 28 0.227 -16.896 -3.876 1.00 0.00 C ATOM 456 NH1 ARG A 28 0.467 -17.711 -4.896 1.00 0.00 N ATOM 457 NH2 ARG A 28 0.102 -17.397 -2.654 1.00 0.00 N ATOM 0 H ARG A 28 -3.275 -15.585 -7.250 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.133 -12.628 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.944 -14.632 -7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.741 -12.947 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.236 -13.344 -5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.012 -14.879 -5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.296 -15.714 -6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.955 -14.250 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 28 0.010 -14.980 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.565 -17.333 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.553 -18.715 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.082 -16.777 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.190 -18.402 -2.503 1.00 0.00 H new ATOM 471 N TRP A 29 -3.367 -12.253 -9.456 1.00 0.00 N ATOM 472 CA TRP A 29 -3.473 -11.954 -10.880 1.00 0.00 C ATOM 473 C TRP A 29 -2.392 -10.966 -11.307 1.00 0.00 C ATOM 474 O TRP A 29 -2.284 -9.878 -10.748 1.00 0.00 O ATOM 475 CB TRP A 29 -4.847 -11.369 -11.213 1.00 0.00 C ATOM 476 CG TRP A 29 -5.907 -12.393 -11.475 1.00 0.00 C ATOM 477 CD1 TRP A 29 -6.216 -12.956 -12.679 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.812 -12.963 -10.523 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.256 -13.839 -12.536 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.639 -13.863 -11.223 1.00 0.00 C ATOM 481 CE3 TRP A 29 -7.002 -12.800 -9.151 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.640 -14.595 -10.594 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.997 -13.529 -8.529 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.804 -14.416 -9.251 1.00 0.00 C ATOM 0 H TRP A 29 -3.649 -11.486 -8.845 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.341 -12.890 -11.423 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.168 -10.734 -10.387 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.753 -10.728 -12.090 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.714 -12.738 -13.610 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.675 -14.388 -13.286 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.384 -12.118 -8.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.265 -15.280 -11.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.155 -13.413 -7.467 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -9.573 -14.971 -8.734 1.00 0.00 H new ATOM 495 N GLU A 30 -1.589 -11.351 -12.286 1.00 0.00 N ATOM 496 CA GLU A 30 -0.600 -10.445 -12.850 1.00 0.00 C ATOM 497 C GLU A 30 -1.278 -9.511 -13.851 1.00 0.00 C ATOM 498 O GLU A 30 -1.582 -9.904 -14.977 1.00 0.00 O ATOM 499 CB GLU A 30 0.521 -11.228 -13.533 1.00 0.00 C ATOM 500 CG GLU A 30 1.664 -10.354 -14.025 1.00 0.00 C ATOM 501 CD GLU A 30 2.687 -11.135 -14.819 1.00 0.00 C ATOM 502 OE1 GLU A 30 2.691 -11.019 -16.063 1.00 0.00 O ATOM 503 OE2 GLU A 30 3.483 -11.877 -14.206 1.00 0.00 O ATOM 0 H GLU A 30 -1.602 -12.281 -12.706 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.161 -9.855 -12.045 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.914 -11.966 -12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.106 -11.778 -14.378 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.263 -9.551 -14.644 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.152 -9.885 -13.171 1.00 0.00 H new ATOM 510 N VAL A 31 -1.506 -8.278 -13.428 1.00 0.00 N ATOM 511 CA VAL A 31 -2.254 -7.320 -14.231 1.00 0.00 C ATOM 512 C VAL A 31 -1.304 -6.283 -14.838 1.00 0.00 C ATOM 513 O VAL A 31 -0.174 -6.123 -14.376 1.00 0.00 O ATOM 514 CB VAL A 31 -3.336 -6.610 -13.375 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.704 -5.675 -12.358 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.334 -5.863 -14.253 1.00 0.00 C ATOM 0 H VAL A 31 -1.183 -7.915 -12.531 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.751 -7.863 -15.035 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.882 -7.380 -12.830 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.486 -5.192 -11.773 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.054 -6.245 -11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.118 -4.916 -12.876 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.079 -5.376 -13.624 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.809 -5.111 -14.842 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.828 -6.567 -14.922 1.00 0.00 H new ATOM 526 N LEU A 32 -1.757 -5.598 -15.878 1.00 0.00 N ATOM 527 CA LEU A 32 -0.955 -4.565 -16.514 1.00 0.00 C ATOM 528 C LEU A 32 -1.354 -3.193 -15.985 1.00 0.00 C ATOM 529 O LEU A 32 -2.493 -2.752 -16.175 1.00 0.00 O ATOM 530 CB LEU A 32 -1.119 -4.595 -18.043 1.00 0.00 C ATOM 531 CG LEU A 32 -0.570 -5.838 -18.754 1.00 0.00 C ATOM 532 CD1 LEU A 32 -1.457 -7.053 -18.519 1.00 0.00 C ATOM 533 CD2 LEU A 32 -0.429 -5.570 -20.241 1.00 0.00 C ATOM 0 H LEU A 32 -2.675 -5.739 -16.299 1.00 0.00 H new ATOM 0 HA LEU A 32 0.091 -4.759 -16.276 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.180 -4.506 -18.276 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.627 -3.716 -18.459 1.00 0.00 H new ATOM 0 HG LEU A 32 0.412 -6.057 -18.335 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.038 -7.915 -19.037 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.511 -7.263 -17.451 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.458 -6.852 -18.900 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.038 -6.459 -20.736 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.404 -5.321 -20.660 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.257 -4.737 -20.397 1.00 0.00 H new ATOM 545 N LEU A 33 -0.420 -2.538 -15.303 1.00 0.00 N ATOM 546 CA LEU A 33 -0.643 -1.189 -14.798 1.00 0.00 C ATOM 547 C LEU A 33 -0.931 -0.242 -15.952 1.00 0.00 C ATOM 548 O LEU A 33 -0.295 -0.317 -17.006 1.00 0.00 O ATOM 549 CB LEU A 33 0.573 -0.708 -13.995 1.00 0.00 C ATOM 550 CG LEU A 33 0.457 0.702 -13.405 1.00 0.00 C ATOM 551 CD1 LEU A 33 -0.688 0.776 -12.404 1.00 0.00 C ATOM 552 CD2 LEU A 33 1.769 1.113 -12.751 1.00 0.00 C ATOM 0 H LEU A 33 0.500 -2.921 -15.087 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.507 -1.201 -14.133 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.750 -1.411 -13.181 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.450 -0.742 -14.641 1.00 0.00 H new ATOM 0 HG LEU A 33 0.243 1.397 -14.217 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.752 1.786 -11.998 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.624 0.526 -12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.509 0.070 -11.593 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.670 2.116 -12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.012 0.413 -11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.565 1.104 -13.496 1.00 0.00 H new ATOM 564 N HIS A 34 -1.893 0.642 -15.751 1.00 0.00 N ATOM 565 CA HIS A 34 -2.392 1.465 -16.834 1.00 0.00 C ATOM 566 C HIS A 34 -2.378 2.941 -16.482 1.00 0.00 C ATOM 567 O HIS A 34 -1.490 3.677 -16.907 1.00 0.00 O ATOM 568 CB HIS A 34 -3.815 1.044 -17.173 1.00 0.00 C ATOM 569 CG HIS A 34 -3.996 0.678 -18.599 1.00 0.00 C ATOM 570 ND1 HIS A 34 -4.460 1.559 -19.544 1.00 0.00 N ATOM 571 CD2 HIS A 34 -3.779 -0.490 -19.236 1.00 0.00 C ATOM 572 CE1 HIS A 34 -4.528 0.947 -20.712 1.00 0.00 C ATOM 573 NE2 HIS A 34 -4.113 -0.298 -20.553 1.00 0.00 N ATOM 0 H HIS A 34 -2.342 0.807 -14.850 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.734 1.320 -17.691 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.093 0.195 -16.549 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.496 1.858 -16.925 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.712 2.532 -19.371 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.412 -1.404 -18.793 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.865 1.388 -21.639 1.00 0.00 H new ATOM 582 N ASP A 35 -3.374 3.360 -15.716 1.00 0.00 N ATOM 583 CA ASP A 35 -3.576 4.767 -15.407 1.00 0.00 C ATOM 584 C ASP A 35 -4.084 4.894 -13.973 1.00 0.00 C ATOM 585 O ASP A 35 -5.202 4.483 -13.669 1.00 0.00 O ATOM 586 CB ASP A 35 -4.587 5.381 -16.394 1.00 0.00 C ATOM 587 CG ASP A 35 -4.230 5.125 -17.857 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.565 5.982 -18.472 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.616 4.053 -18.399 1.00 0.00 O ATOM 0 H ASP A 35 -4.062 2.737 -15.293 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.633 5.305 -15.503 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.577 4.972 -16.191 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.645 6.456 -16.223 1.00 0.00 H new ATOM 594 N VAL A 36 -3.266 5.432 -13.081 1.00 0.00 N ATOM 595 CA VAL A 36 -3.614 5.443 -11.665 1.00 0.00 C ATOM 596 C VAL A 36 -3.677 6.864 -11.099 1.00 0.00 C ATOM 597 O VAL A 36 -2.958 7.757 -11.545 1.00 0.00 O ATOM 598 CB VAL A 36 -2.618 4.577 -10.844 1.00 0.00 C ATOM 599 CG1 VAL A 36 -1.197 5.104 -10.965 1.00 0.00 C ATOM 600 CG2 VAL A 36 -3.029 4.492 -9.381 1.00 0.00 C ATOM 0 H VAL A 36 -2.369 5.861 -13.306 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.611 5.011 -11.578 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.646 3.571 -11.263 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.525 4.477 -10.379 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.890 5.087 -12.011 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.155 6.127 -10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.311 3.879 -8.836 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.052 5.493 -8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.019 4.043 -9.307 1.00 0.00 H new ATOM 610 N SER A 37 -4.566 7.064 -10.133 1.00 0.00 N ATOM 611 CA SER A 37 -4.694 8.341 -9.448 1.00 0.00 C ATOM 612 C SER A 37 -4.716 8.114 -7.940 1.00 0.00 C ATOM 613 O SER A 37 -4.640 6.978 -7.479 1.00 0.00 O ATOM 614 CB SER A 37 -5.975 9.061 -9.884 1.00 0.00 C ATOM 615 OG SER A 37 -7.123 8.261 -9.642 1.00 0.00 O ATOM 0 H SER A 37 -5.215 6.348 -9.805 1.00 0.00 H new ATOM 0 HA SER A 37 -3.840 8.965 -9.710 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.066 10.004 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.915 9.304 -10.945 1.00 0.00 H new ATOM 0 HG SER A 37 -6.844 7.363 -9.368 1.00 0.00 H new ATOM 621 N LEU A 38 -4.843 9.190 -7.177 1.00 0.00 N ATOM 622 CA LEU A 38 -4.922 9.087 -5.722 1.00 0.00 C ATOM 623 C LEU A 38 -6.343 8.738 -5.296 1.00 0.00 C ATOM 624 O LEU A 38 -6.634 8.580 -4.112 1.00 0.00 O ATOM 625 CB LEU A 38 -4.508 10.411 -5.074 1.00 0.00 C ATOM 626 CG LEU A 38 -3.151 10.959 -5.517 1.00 0.00 C ATOM 627 CD1 LEU A 38 -2.870 12.292 -4.843 1.00 0.00 C ATOM 628 CD2 LEU A 38 -2.041 9.964 -5.211 1.00 0.00 C ATOM 0 H LEU A 38 -4.894 10.143 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.244 8.299 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.272 11.158 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.492 10.278 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.182 11.115 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.900 12.668 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.646 13.008 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.862 12.158 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.085 10.375 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.009 9.773 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.233 9.031 -5.741 1.00 0.00 H new ATOM 640 N HIS A 39 -7.226 8.623 -6.280 1.00 0.00 N ATOM 641 CA HIS A 39 -8.649 8.428 -6.022 1.00 0.00 C ATOM 642 C HIS A 39 -9.046 7.007 -6.367 1.00 0.00 C ATOM 643 O HIS A 39 -10.096 6.510 -5.955 1.00 0.00 O ATOM 644 CB HIS A 39 -9.486 9.391 -6.872 1.00 0.00 C ATOM 645 CG HIS A 39 -8.871 10.744 -7.042 1.00 0.00 C ATOM 646 ND1 HIS A 39 -8.881 11.431 -8.229 1.00 0.00 N ATOM 647 CD2 HIS A 39 -8.204 11.522 -6.171 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.242 12.573 -8.079 1.00 0.00 C ATOM 649 NE2 HIS A 39 -7.823 12.658 -6.834 1.00 0.00 N ATOM 0 H HIS A 39 -6.981 8.662 -7.269 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.833 8.622 -4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.643 8.948 -7.856 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.468 9.505 -6.413 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.005 11.292 -5.135 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.088 13.315 -8.848 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.303 13.438 -6.431 1.00 0.00 H new ATOM 658 N GLY A 40 -8.175 6.360 -7.112 1.00 0.00 N ATOM 659 CA GLY A 40 -8.482 5.066 -7.672 1.00 0.00 C ATOM 660 C GLY A 40 -7.494 4.679 -8.748 1.00 0.00 C ATOM 661 O GLY A 40 -6.751 5.526 -9.251 1.00 0.00 O ATOM 0 H GLY A 40 -7.246 6.713 -7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.473 4.315 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.489 5.079 -8.089 1.00 0.00 H new ATOM 665 N ILE A 41 -7.497 3.413 -9.118 1.00 0.00 N ATOM 666 CA ILE A 41 -6.535 2.898 -10.071 1.00 0.00 C ATOM 667 C ILE A 41 -7.235 2.200 -11.233 1.00 0.00 C ATOM 668 O ILE A 41 -8.102 1.346 -11.033 1.00 0.00 O ATOM 669 CB ILE A 41 -5.537 1.930 -9.386 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.560 1.338 -10.408 1.00 0.00 C ATOM 671 CG2 ILE A 41 -6.277 0.825 -8.641 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.510 0.441 -9.789 1.00 0.00 C ATOM 0 H ILE A 41 -8.159 2.719 -8.770 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.976 3.746 -10.466 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.960 2.501 -8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.122 0.769 -11.149 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.065 2.151 -10.939 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.555 0.158 -8.169 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.917 1.267 -7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.888 0.259 -9.344 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.853 0.057 -10.570 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.923 1.011 -9.069 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.996 -0.392 -9.282 1.00 0.00 H new ATOM 684 N LEU A 42 -6.875 2.596 -12.444 1.00 0.00 N ATOM 685 CA LEU A 42 -7.391 1.965 -13.645 1.00 0.00 C ATOM 686 C LEU A 42 -6.320 1.060 -14.241 1.00 0.00 C ATOM 687 O LEU A 42 -5.216 1.512 -14.551 1.00 0.00 O ATOM 688 CB LEU A 42 -7.816 3.029 -14.666 1.00 0.00 C ATOM 689 CG LEU A 42 -8.352 2.490 -15.995 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.627 1.693 -15.775 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.595 3.632 -16.972 1.00 0.00 C ATOM 0 H LEU A 42 -6.221 3.359 -12.620 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.266 1.367 -13.389 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.583 3.657 -14.213 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.960 3.671 -14.873 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.604 1.823 -16.423 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.992 1.319 -16.732 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.421 0.853 -15.111 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.384 2.335 -15.324 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.976 3.232 -17.912 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.324 4.323 -16.550 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.659 4.160 -17.155 1.00 0.00 H new ATOM 703 N VAL A 43 -6.632 -0.217 -14.370 1.00 0.00 N ATOM 704 CA VAL A 43 -5.700 -1.175 -14.946 1.00 0.00 C ATOM 705 C VAL A 43 -6.339 -1.905 -16.116 1.00 0.00 C ATOM 706 O VAL A 43 -7.540 -1.778 -16.356 1.00 0.00 O ATOM 707 CB VAL A 43 -5.212 -2.209 -13.910 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.294 -1.556 -12.890 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.389 -2.878 -13.217 1.00 0.00 C ATOM 0 H VAL A 43 -7.525 -0.617 -14.083 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.837 -0.605 -15.291 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.647 -2.976 -14.439 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.962 -2.303 -12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.428 -1.132 -13.399 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.833 -0.764 -12.370 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.020 -3.603 -12.491 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.986 -2.124 -12.705 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.005 -3.388 -13.957 1.00 0.00 H new ATOM 719 N GLY A 44 -5.532 -2.659 -16.841 1.00 0.00 N ATOM 720 CA GLY A 44 -6.034 -3.412 -17.968 1.00 0.00 C ATOM 721 C GLY A 44 -5.620 -4.861 -17.882 1.00 0.00 C ATOM 722 O GLY A 44 -4.432 -5.157 -17.750 1.00 0.00 O ATOM 0 H GLY A 44 -4.532 -2.764 -16.668 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.121 -3.343 -18.000 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.659 -2.978 -18.895 1.00 0.00 H new ATOM 726 N GLN A 45 -6.585 -5.764 -17.931 1.00 0.00 N ATOM 727 CA GLN A 45 -6.288 -7.182 -17.819 1.00 0.00 C ATOM 728 C GLN A 45 -7.120 -7.994 -18.801 1.00 0.00 C ATOM 729 O GLN A 45 -8.286 -8.291 -18.545 1.00 0.00 O ATOM 730 CB GLN A 45 -6.531 -7.682 -16.393 1.00 0.00 C ATOM 731 CG GLN A 45 -6.043 -9.103 -16.161 1.00 0.00 C ATOM 732 CD GLN A 45 -6.299 -9.585 -14.749 1.00 0.00 C ATOM 733 OE1 GLN A 45 -5.469 -9.408 -13.861 1.00 0.00 O ATOM 734 NE2 GLN A 45 -7.447 -10.207 -14.534 1.00 0.00 N ATOM 0 H GLN A 45 -7.574 -5.543 -18.047 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.234 -7.316 -18.062 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.030 -7.015 -15.691 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.598 -7.632 -16.175 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.538 -9.772 -16.864 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.974 -9.155 -16.370 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.110 -10.334 -15.299 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.669 -10.560 -13.603 1.00 0.00 H new ATOM 743 N PRO A 46 -6.526 -8.355 -19.944 1.00 0.00 N ATOM 744 CA PRO A 46 -7.169 -9.215 -20.936 1.00 0.00 C ATOM 745 C PRO A 46 -7.070 -10.691 -20.546 1.00 0.00 C ATOM 746 O PRO A 46 -6.715 -11.543 -21.362 1.00 0.00 O ATOM 747 CB PRO A 46 -6.364 -8.927 -22.204 1.00 0.00 C ATOM 748 CG PRO A 46 -4.999 -8.580 -21.718 1.00 0.00 C ATOM 749 CD PRO A 46 -5.177 -7.935 -20.367 1.00 0.00 C ATOM 0 HA PRO A 46 -8.236 -9.020 -21.044 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.340 -9.795 -22.863 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.802 -8.107 -22.773 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.376 -9.471 -21.643 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.502 -7.900 -22.410 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.416 -8.269 -19.662 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.099 -6.850 -20.430 1.00 0.00 H new ATOM 757 N GLN A 47 -7.389 -10.978 -19.292 1.00 0.00 N ATOM 758 CA GLN A 47 -7.295 -12.327 -18.750 1.00 0.00 C ATOM 759 C GLN A 47 -8.601 -12.698 -18.065 1.00 0.00 C ATOM 760 O GLN A 47 -9.478 -11.850 -17.891 1.00 0.00 O ATOM 761 CB GLN A 47 -6.147 -12.422 -17.741 1.00 0.00 C ATOM 762 CG GLN A 47 -4.778 -12.117 -18.326 1.00 0.00 C ATOM 763 CD GLN A 47 -3.681 -12.149 -17.277 1.00 0.00 C ATOM 764 OE1 GLN A 47 -3.757 -12.894 -16.299 1.00 0.00 O ATOM 765 NE2 GLN A 47 -2.650 -11.346 -17.476 1.00 0.00 N ATOM 0 H GLN A 47 -7.720 -10.284 -18.622 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.102 -13.017 -19.571 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.341 -11.732 -16.920 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.133 -13.426 -17.317 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.550 -12.841 -19.108 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.798 -11.134 -18.797 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.624 -10.744 -18.299 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.880 -11.329 -16.807 1.00 0.00 H new ATOM 774 N ASP A 48 -8.730 -13.958 -17.672 1.00 0.00 N ATOM 775 CA ASP A 48 -9.916 -14.407 -16.955 1.00 0.00 C ATOM 776 C ASP A 48 -9.897 -13.877 -15.528 1.00 0.00 C ATOM 777 O ASP A 48 -8.957 -14.122 -14.769 1.00 0.00 O ATOM 778 CB ASP A 48 -10.018 -15.932 -16.959 1.00 0.00 C ATOM 779 CG ASP A 48 -11.244 -16.417 -17.709 1.00 0.00 C ATOM 780 OD1 ASP A 48 -12.310 -16.569 -17.082 1.00 0.00 O ATOM 781 OD2 ASP A 48 -11.148 -16.649 -18.935 1.00 0.00 O ATOM 0 H ASP A 48 -8.032 -14.684 -17.836 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.794 -14.012 -17.466 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.123 -16.354 -17.416 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.054 -16.296 -15.932 1.00 0.00 H new ATOM 786 N TRP A 49 -10.943 -13.151 -15.177 1.00 0.00 N ATOM 787 CA TRP A 49 -11.004 -12.422 -13.922 1.00 0.00 C ATOM 788 C TRP A 49 -12.285 -12.773 -13.170 1.00 0.00 C ATOM 789 O TRP A 49 -13.312 -13.051 -13.790 1.00 0.00 O ATOM 790 CB TRP A 49 -10.934 -10.923 -14.242 1.00 0.00 C ATOM 791 CG TRP A 49 -11.159 -10.001 -13.080 1.00 0.00 C ATOM 792 CD1 TRP A 49 -12.255 -9.218 -12.867 1.00 0.00 C ATOM 793 CD2 TRP A 49 -10.269 -9.751 -11.983 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.101 -8.492 -11.714 1.00 0.00 N ATOM 795 CE2 TRP A 49 -10.894 -8.803 -11.151 1.00 0.00 C ATOM 796 CE3 TRP A 49 -9.009 -10.233 -11.623 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.301 -8.331 -9.984 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -8.424 -9.763 -10.464 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.070 -8.820 -9.657 1.00 0.00 C ATOM 0 H TRP A 49 -11.777 -13.050 -15.756 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.168 -12.695 -13.277 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -9.955 -10.707 -14.670 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.675 -10.699 -15.010 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.119 -9.176 -13.513 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.777 -7.828 -11.337 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.501 -10.960 -12.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.798 -7.603 -9.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.450 -10.130 -10.175 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.584 -8.472 -8.757 1.00 0.00 H new ATOM 810 N ASN A 50 -12.220 -12.783 -11.841 1.00 0.00 N ATOM 811 CA ASN A 50 -13.393 -13.063 -11.033 1.00 0.00 C ATOM 812 C ASN A 50 -14.185 -11.782 -10.845 1.00 0.00 C ATOM 813 O ASN A 50 -15.187 -11.561 -11.519 1.00 0.00 O ATOM 814 CB ASN A 50 -12.992 -13.651 -9.678 1.00 0.00 C ATOM 815 CG ASN A 50 -14.191 -14.038 -8.829 1.00 0.00 C ATOM 816 OD1 ASN A 50 -14.156 -13.922 -7.608 1.00 0.00 O ATOM 817 ND2 ASN A 50 -15.255 -14.508 -9.463 1.00 0.00 N ATOM 0 H ASN A 50 -11.370 -12.601 -11.307 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.012 -13.800 -11.544 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.367 -14.529 -9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.387 -12.924 -9.136 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.081 -14.788 -8.935 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.248 -14.590 -10.480 1.00 0.00 H new ATOM 857 N GLN A 54 -17.084 -8.730 -3.166 1.00 0.00 N ATOM 858 CA GLN A 54 -17.104 -9.108 -1.762 1.00 0.00 C ATOM 859 C GLN A 54 -15.705 -9.532 -1.354 1.00 0.00 C ATOM 860 O GLN A 54 -15.425 -9.803 -0.184 1.00 0.00 O ATOM 861 CB GLN A 54 -18.096 -10.247 -1.517 1.00 0.00 C ATOM 862 CG GLN A 54 -19.505 -9.935 -1.986 1.00 0.00 C ATOM 863 CD GLN A 54 -20.121 -8.757 -1.262 1.00 0.00 C ATOM 864 OE1 GLN A 54 -20.928 -8.021 -1.827 1.00 0.00 O ATOM 865 NE2 GLN A 54 -19.758 -8.576 -0.001 1.00 0.00 N ATOM 0 HA GLN A 54 -17.425 -8.256 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -17.742 -11.143 -2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.119 -10.475 -0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -19.489 -9.729 -3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -20.134 -10.813 -1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -19.085 -9.209 0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.151 -7.804 0.537 1.00 0.00 H new ATOM 874 N ARG A 55 -14.826 -9.588 -2.345 1.00 0.00 N ATOM 875 CA ARG A 55 -13.441 -9.951 -2.130 1.00 0.00 C ATOM 876 C ARG A 55 -12.546 -8.740 -2.342 1.00 0.00 C ATOM 877 O ARG A 55 -12.361 -8.285 -3.470 1.00 0.00 O ATOM 878 CB ARG A 55 -13.047 -11.102 -3.062 1.00 0.00 C ATOM 879 CG ARG A 55 -13.841 -12.369 -2.784 1.00 0.00 C ATOM 880 CD ARG A 55 -13.754 -12.756 -1.314 1.00 0.00 C ATOM 881 NE ARG A 55 -14.804 -13.693 -0.929 1.00 0.00 N ATOM 882 CZ ARG A 55 -15.405 -13.688 0.260 1.00 0.00 C ATOM 883 NH1 ARG A 55 -15.030 -12.819 1.195 1.00 0.00 N ATOM 884 NH2 ARG A 55 -16.376 -14.555 0.516 1.00 0.00 N ATOM 0 H ARG A 55 -15.057 -9.383 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.314 -10.291 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.203 -10.798 -4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.983 -11.310 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.884 -12.217 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.461 -13.183 -3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.780 -13.202 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.826 -11.859 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.095 -14.394 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.281 -12.154 1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.492 -12.817 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.662 -15.225 -0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.836 -14.551 1.426 1.00 0.00 H new ATOM 898 N PRO A 56 -12.008 -8.185 -1.247 1.00 0.00 N ATOM 899 CA PRO A 56 -11.133 -7.013 -1.303 1.00 0.00 C ATOM 900 C PRO A 56 -9.901 -7.275 -2.161 1.00 0.00 C ATOM 901 O PRO A 56 -9.264 -8.326 -2.048 1.00 0.00 O ATOM 902 CB PRO A 56 -10.735 -6.772 0.159 1.00 0.00 C ATOM 903 CG PRO A 56 -11.057 -8.042 0.872 1.00 0.00 C ATOM 904 CD PRO A 56 -12.210 -8.653 0.131 1.00 0.00 C ATOM 0 HA PRO A 56 -11.628 -6.153 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.675 -6.532 0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.286 -5.933 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.198 -8.713 0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.320 -7.849 1.912 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.197 -9.741 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.168 -8.322 0.533 1.00 0.00 H new ATOM 912 N PHE A 57 -9.572 -6.322 -3.016 1.00 0.00 N ATOM 913 CA PHE A 57 -8.479 -6.492 -3.953 1.00 0.00 C ATOM 914 C PHE A 57 -7.256 -5.698 -3.506 1.00 0.00 C ATOM 915 O PHE A 57 -7.367 -4.557 -3.055 1.00 0.00 O ATOM 916 CB PHE A 57 -8.927 -6.079 -5.363 1.00 0.00 C ATOM 917 CG PHE A 57 -10.019 -6.964 -5.911 1.00 0.00 C ATOM 918 CD1 PHE A 57 -9.824 -8.334 -5.990 1.00 0.00 C ATOM 919 CD2 PHE A 57 -11.236 -6.441 -6.344 1.00 0.00 C ATOM 920 CE1 PHE A 57 -10.813 -9.165 -6.478 1.00 0.00 C ATOM 921 CE2 PHE A 57 -12.224 -7.272 -6.835 1.00 0.00 C ATOM 922 CZ PHE A 57 -12.014 -8.634 -6.902 1.00 0.00 C ATOM 0 H PHE A 57 -10.048 -5.422 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.196 -7.544 -3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.278 -5.047 -5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.070 -6.109 -6.035 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.885 -8.758 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.408 -5.376 -6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.646 -10.231 -6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.163 -6.855 -7.167 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.788 -9.283 -7.285 1.00 0.00 H new ATOM 932 N GLU A 58 -6.096 -6.326 -3.592 1.00 0.00 N ATOM 933 CA GLU A 58 -4.843 -5.687 -3.225 1.00 0.00 C ATOM 934 C GLU A 58 -4.036 -5.364 -4.468 1.00 0.00 C ATOM 935 O GLU A 58 -3.806 -6.237 -5.304 1.00 0.00 O ATOM 936 CB GLU A 58 -4.018 -6.602 -2.318 1.00 0.00 C ATOM 937 CG GLU A 58 -4.555 -6.734 -0.905 1.00 0.00 C ATOM 938 CD GLU A 58 -4.364 -5.473 -0.089 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.216 -5.000 0.019 1.00 0.00 O ATOM 940 OE2 GLU A 58 -5.358 -4.965 0.474 1.00 0.00 O ATOM 0 H GLU A 58 -5.996 -7.288 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.077 -4.766 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.970 -7.593 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.997 -6.223 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.616 -6.979 -0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.055 -7.564 -0.406 1.00 0.00 H new ATOM 947 N ALA A 59 -3.615 -4.119 -4.590 1.00 0.00 N ATOM 948 CA ALA A 59 -2.749 -3.722 -5.684 1.00 0.00 C ATOM 949 C ALA A 59 -1.302 -3.704 -5.216 1.00 0.00 C ATOM 950 O ALA A 59 -0.909 -2.840 -4.427 1.00 0.00 O ATOM 951 CB ALA A 59 -3.153 -2.361 -6.225 1.00 0.00 C ATOM 0 H ALA A 59 -3.858 -3.366 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.850 -4.447 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.490 -2.084 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.180 -2.404 -6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.079 -1.618 -5.431 1.00 0.00 H new ATOM 957 N ARG A 60 -0.526 -4.676 -5.675 1.00 0.00 N ATOM 958 CA ARG A 60 0.867 -4.794 -5.278 1.00 0.00 C ATOM 959 C ARG A 60 1.773 -4.394 -6.441 1.00 0.00 C ATOM 960 O ARG A 60 1.912 -5.134 -7.415 1.00 0.00 O ATOM 961 CB ARG A 60 1.151 -6.231 -4.817 1.00 0.00 C ATOM 962 CG ARG A 60 2.444 -6.389 -4.037 1.00 0.00 C ATOM 963 CD ARG A 60 2.506 -7.734 -3.321 1.00 0.00 C ATOM 964 NE ARG A 60 2.589 -8.866 -4.247 1.00 0.00 N ATOM 965 CZ ARG A 60 2.612 -10.144 -3.864 1.00 0.00 C ATOM 966 NH1 ARG A 60 2.453 -10.471 -2.588 1.00 0.00 N ATOM 967 NH2 ARG A 60 2.777 -11.095 -4.770 1.00 0.00 N ATOM 0 H ARG A 60 -0.841 -5.396 -6.325 1.00 0.00 H new ATOM 0 HA ARG A 60 1.072 -4.122 -4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.322 -6.573 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.185 -6.881 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.292 -6.298 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.531 -5.583 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.371 -7.748 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.622 -7.848 -2.694 1.00 0.00 H new ATOM 0 HE ARG A 60 2.632 -8.665 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.311 -9.742 -1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.472 -11.451 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.886 -10.849 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.796 -12.074 -4.484 1.00 0.00 H new ATOM 981 N LEU A 61 2.359 -3.207 -6.340 1.00 0.00 N ATOM 982 CA LEU A 61 3.168 -2.639 -7.416 1.00 0.00 C ATOM 983 C LEU A 61 4.659 -2.734 -7.102 1.00 0.00 C ATOM 984 O LEU A 61 5.141 -2.107 -6.156 1.00 0.00 O ATOM 985 CB LEU A 61 2.800 -1.164 -7.624 1.00 0.00 C ATOM 986 CG LEU A 61 1.326 -0.884 -7.932 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.055 0.611 -7.909 1.00 0.00 C ATOM 988 CD2 LEU A 61 0.947 -1.461 -9.281 1.00 0.00 C ATOM 0 H LEU A 61 2.289 -2.612 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 61 2.963 -3.211 -8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.076 -0.610 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.404 -0.770 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 61 0.718 -1.363 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.003 0.794 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.293 1.009 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.674 1.105 -8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.104 -1.253 -9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.563 -1.007 -10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.108 -2.539 -9.274 1.00 0.00 H new ATOM 1000 N TYR A 62 5.384 -3.509 -7.895 1.00 0.00 N ATOM 1001 CA TYR A 62 6.831 -3.613 -7.746 1.00 0.00 C ATOM 1002 C TYR A 62 7.535 -2.620 -8.655 1.00 0.00 C ATOM 1003 O TYR A 62 7.510 -2.764 -9.876 1.00 0.00 O ATOM 1004 CB TYR A 62 7.324 -5.020 -8.086 1.00 0.00 C ATOM 1005 CG TYR A 62 6.837 -6.100 -7.152 1.00 0.00 C ATOM 1006 CD1 TYR A 62 7.630 -6.547 -6.101 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.591 -6.683 -7.330 1.00 0.00 C ATOM 1008 CE1 TYR A 62 7.195 -7.550 -5.260 1.00 0.00 C ATOM 1009 CE2 TYR A 62 5.149 -7.681 -6.489 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.953 -8.111 -5.456 1.00 0.00 C ATOM 1011 OH TYR A 62 5.513 -9.116 -4.623 1.00 0.00 O ATOM 0 H TYR A 62 4.995 -4.076 -8.649 1.00 0.00 H new ATOM 0 HA TYR A 62 7.064 -3.393 -6.704 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.009 -5.266 -9.100 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.414 -5.019 -8.082 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.601 -6.102 -5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.958 -6.350 -8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.825 -7.893 -4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.176 -8.125 -6.639 1.00 0.00 H new ATOM 0 HH TYR A 62 5.908 -9.000 -3.734 1.00 0.00 H new ATOM 1021 N LEU A 63 8.149 -1.608 -8.063 1.00 0.00 N ATOM 1022 CA LEU A 63 8.946 -0.656 -8.825 1.00 0.00 C ATOM 1023 C LEU A 63 10.423 -0.996 -8.690 1.00 0.00 C ATOM 1024 O LEU A 63 11.249 -0.600 -9.512 1.00 0.00 O ATOM 1025 CB LEU A 63 8.687 0.781 -8.353 1.00 0.00 C ATOM 1026 CG LEU A 63 7.452 1.466 -8.950 1.00 0.00 C ATOM 1027 CD1 LEU A 63 7.553 1.504 -10.464 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.170 0.769 -8.517 1.00 0.00 C ATOM 0 H LEU A 63 8.112 -1.424 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 63 8.655 -0.724 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.587 0.775 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.564 1.385 -8.589 1.00 0.00 H new ATOM 0 HG LEU A 63 7.417 2.488 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.670 1.993 -10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.444 2.060 -10.755 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.617 0.487 -10.850 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.313 1.278 -8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.188 -0.268 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.090 0.796 -7.430 1.00 0.00 H new ATOM 1040 N GLY A 64 10.734 -1.752 -7.650 1.00 0.00 N ATOM 1041 CA GLY A 64 12.095 -2.162 -7.397 1.00 0.00 C ATOM 1042 C GLY A 64 12.135 -3.389 -6.518 1.00 0.00 C ATOM 1043 O GLY A 64 11.147 -4.119 -6.428 1.00 0.00 O ATOM 0 H GLY A 64 10.056 -2.092 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.598 -2.370 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.641 -1.349 -6.918 1.00 0.00 H new ATOM 1047 N LEU A 65 13.259 -3.613 -5.862 1.00 0.00 N ATOM 1048 CA LEU A 65 13.399 -4.749 -4.964 1.00 0.00 C ATOM 1049 C LEU A 65 12.775 -4.427 -3.612 1.00 0.00 C ATOM 1050 O LEU A 65 12.128 -5.274 -3.000 1.00 0.00 O ATOM 1051 CB LEU A 65 14.874 -5.143 -4.788 1.00 0.00 C ATOM 1052 CG LEU A 65 15.529 -5.848 -5.984 1.00 0.00 C ATOM 1053 CD1 LEU A 65 14.704 -7.049 -6.413 1.00 0.00 C ATOM 1054 CD2 LEU A 65 15.725 -4.890 -7.150 1.00 0.00 C ATOM 0 H LEU A 65 14.089 -3.025 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 65 12.876 -5.597 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.446 -4.242 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.954 -5.795 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 65 16.512 -6.197 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.184 -7.536 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.630 -7.754 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.705 -6.720 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.191 -5.419 -7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.758 -4.498 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.367 -4.065 -6.840 1.00 0.00 H new ATOM 1066 N ASP A 66 12.962 -3.194 -3.153 1.00 0.00 N ATOM 1067 CA ASP A 66 12.357 -2.758 -1.896 1.00 0.00 C ATOM 1068 C ASP A 66 11.232 -1.769 -2.164 1.00 0.00 C ATOM 1069 O ASP A 66 10.336 -1.590 -1.336 1.00 0.00 O ATOM 1070 CB ASP A 66 13.396 -2.118 -0.961 1.00 0.00 C ATOM 1071 CG ASP A 66 13.744 -0.689 -1.337 1.00 0.00 C ATOM 1072 OD1 ASP A 66 14.671 -0.488 -2.152 1.00 0.00 O ATOM 1073 OD2 ASP A 66 13.100 0.242 -0.811 1.00 0.00 O ATOM 0 H ASP A 66 13.521 -2.484 -3.626 1.00 0.00 H new ATOM 0 HA ASP A 66 11.953 -3.642 -1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.015 -2.135 0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.304 -2.721 -0.972 1.00 0.00 H new ATOM 1078 N VAL A 67 11.274 -1.139 -3.333 1.00 0.00 N ATOM 1079 CA VAL A 67 10.291 -0.126 -3.687 1.00 0.00 C ATOM 1080 C VAL A 67 8.964 -0.780 -4.055 1.00 0.00 C ATOM 1081 O VAL A 67 8.760 -1.214 -5.192 1.00 0.00 O ATOM 1082 CB VAL A 67 10.770 0.765 -4.855 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.802 1.919 -5.082 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.177 1.287 -4.594 1.00 0.00 C ATOM 0 H VAL A 67 11.978 -1.313 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 67 10.158 0.510 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 67 10.795 0.157 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.157 2.535 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.815 1.524 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.740 2.525 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.494 1.912 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.182 1.877 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.863 0.447 -4.489 1.00 0.00 H new ATOM 1094 N LEU A 68 8.081 -0.869 -3.074 1.00 0.00 N ATOM 1095 CA LEU A 68 6.781 -1.486 -3.257 1.00 0.00 C ATOM 1096 C LEU A 68 5.676 -0.464 -3.025 1.00 0.00 C ATOM 1097 O LEU A 68 5.687 0.263 -2.032 1.00 0.00 O ATOM 1098 CB LEU A 68 6.622 -2.661 -2.287 1.00 0.00 C ATOM 1099 CG LEU A 68 5.335 -3.474 -2.442 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.327 -4.219 -3.765 1.00 0.00 C ATOM 1101 CD2 LEU A 68 5.174 -4.441 -1.280 1.00 0.00 C ATOM 0 H LEU A 68 8.246 -0.516 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 68 6.706 -1.856 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.472 -3.331 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.668 -2.277 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 68 4.490 -2.785 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.403 -4.791 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.393 -3.504 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.179 -4.898 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.254 -5.011 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.023 -5.124 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.129 -3.882 -0.345 1.00 0.00 H new ATOM 1113 N ILE A 69 4.744 -0.391 -3.955 1.00 0.00 N ATOM 1114 CA ILE A 69 3.581 0.464 -3.796 1.00 0.00 C ATOM 1115 C ILE A 69 2.347 -0.402 -3.595 1.00 0.00 C ATOM 1116 O ILE A 69 1.955 -1.151 -4.487 1.00 0.00 O ATOM 1117 CB ILE A 69 3.379 1.396 -5.013 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.620 2.273 -5.219 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.137 2.263 -4.830 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.506 3.223 -6.392 1.00 0.00 C ATOM 0 H ILE A 69 4.768 -0.914 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 69 3.742 1.098 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 69 3.235 0.779 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.801 2.850 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.488 1.630 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.014 2.911 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.260 1.625 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.249 2.874 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.421 3.810 -6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.356 2.653 -7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.659 3.891 -6.238 1.00 0.00 H new ATOM 1132 N ARG A 70 1.757 -0.323 -2.416 1.00 0.00 N ATOM 1133 CA ARG A 70 0.610 -1.153 -2.084 1.00 0.00 C ATOM 1134 C ARG A 70 -0.593 -0.290 -1.736 1.00 0.00 C ATOM 1135 O ARG A 70 -0.461 0.747 -1.080 1.00 0.00 O ATOM 1136 CB ARG A 70 0.945 -2.087 -0.916 1.00 0.00 C ATOM 1137 CG ARG A 70 1.292 -1.361 0.374 1.00 0.00 C ATOM 1138 CD ARG A 70 1.623 -2.337 1.486 1.00 0.00 C ATOM 1139 NE ARG A 70 1.865 -1.659 2.760 1.00 0.00 N ATOM 1140 CZ ARG A 70 2.247 -2.280 3.874 1.00 0.00 C ATOM 1141 NH1 ARG A 70 2.495 -3.583 3.863 1.00 0.00 N ATOM 1142 NH2 ARG A 70 2.399 -1.589 4.995 1.00 0.00 N ATOM 0 H ARG A 70 2.052 0.308 -1.671 1.00 0.00 H new ATOM 0 HA ARG A 70 0.363 -1.758 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.095 -2.744 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.784 -2.722 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.141 -0.699 0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.454 -0.733 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.802 -3.045 1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.505 -2.915 1.210 1.00 0.00 H new ATOM 0 HE ARG A 70 1.733 -0.648 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.393 -4.114 2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.787 -4.054 4.719 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.223 -0.584 5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.692 -2.062 5.850 1.00 0.00 H new ATOM 1156 N MET A 71 -1.762 -0.706 -2.196 1.00 0.00 N ATOM 1157 CA MET A 71 -2.992 0.004 -1.883 1.00 0.00 C ATOM 1158 C MET A 71 -4.172 -0.955 -1.790 1.00 0.00 C ATOM 1159 O MET A 71 -4.319 -1.862 -2.613 1.00 0.00 O ATOM 1160 CB MET A 71 -3.283 1.096 -2.922 1.00 0.00 C ATOM 1161 CG MET A 71 -3.360 0.587 -4.353 1.00 0.00 C ATOM 1162 SD MET A 71 -3.905 1.853 -5.516 1.00 0.00 S ATOM 1163 CE MET A 71 -2.695 3.142 -5.228 1.00 0.00 C ATOM 0 H MET A 71 -1.885 -1.529 -2.786 1.00 0.00 H new ATOM 0 HA MET A 71 -2.854 0.479 -0.912 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.226 1.581 -2.669 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.506 1.858 -2.860 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.380 0.219 -4.656 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.046 -0.259 -4.396 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.734 3.866 -6.042 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.915 3.644 -4.286 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.699 2.702 -5.181 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.989 -0.753 -0.767 1.00 0.00 N ATOM 1174 CA GLU A 72 -6.216 -1.510 -0.585 1.00 0.00 C ATOM 1175 C GLU A 72 -7.295 -0.915 -1.476 1.00 0.00 C ATOM 1176 O GLU A 72 -7.721 0.227 -1.270 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.648 -1.448 0.881 1.00 0.00 C ATOM 1178 CG GLU A 72 -7.882 -2.270 1.202 1.00 0.00 C ATOM 1179 CD GLU A 72 -8.400 -2.007 2.602 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -9.426 -1.307 2.739 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -7.778 -2.479 3.573 1.00 0.00 O ATOM 0 H GLU A 72 -4.819 -0.059 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.054 -2.553 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.824 -1.792 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.838 -0.409 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.665 -2.043 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.648 -3.329 1.097 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.714 -1.670 -2.475 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.662 -1.167 -3.453 1.00 0.00 C ATOM 1190 C ILE A 73 -9.923 -2.017 -3.500 1.00 0.00 C ATOM 1191 O ILE A 73 -9.884 -3.233 -3.304 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.041 -1.102 -4.865 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.391 -2.443 -5.232 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -7.032 0.035 -4.942 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.777 -2.475 -6.615 1.00 0.00 C ATOM 0 H ILE A 73 -7.414 -2.632 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.926 -0.158 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.833 -0.907 -5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.619 -2.673 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.142 -3.230 -5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.600 0.071 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.531 0.980 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.240 -0.131 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.339 -3.457 -6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.548 -2.278 -7.360 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.001 -1.713 -6.686 1.00 0.00 H new ATOM 1207 N SER A 74 -11.041 -1.362 -3.747 1.00 0.00 N ATOM 1208 CA SER A 74 -12.306 -2.047 -3.904 1.00 0.00 C ATOM 1209 C SER A 74 -12.764 -1.915 -5.348 1.00 0.00 C ATOM 1210 O SER A 74 -12.650 -0.844 -5.950 1.00 0.00 O ATOM 1211 CB SER A 74 -13.356 -1.471 -2.948 1.00 0.00 C ATOM 1212 OG SER A 74 -14.542 -2.249 -2.956 1.00 0.00 O ATOM 0 H SER A 74 -11.097 -0.348 -3.844 1.00 0.00 H new ATOM 0 HA SER A 74 -12.180 -3.102 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.949 -1.434 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.589 -0.446 -3.235 1.00 0.00 H new ATOM 0 HG SER A 74 -15.193 -1.859 -2.336 1.00 0.00 H new ATOM 1218 N LEU A 75 -13.258 -3.002 -5.907 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.663 -3.021 -7.300 1.00 0.00 C ATOM 1220 C LEU A 75 -14.938 -2.209 -7.508 1.00 0.00 C ATOM 1221 O LEU A 75 -16.009 -2.580 -7.032 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.853 -4.466 -7.766 1.00 0.00 C ATOM 1223 CG LEU A 75 -14.368 -4.630 -9.190 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -13.488 -3.886 -10.177 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.450 -6.100 -9.557 1.00 0.00 C ATOM 0 H LEU A 75 -13.389 -3.887 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.878 -2.560 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.899 -4.986 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.548 -4.961 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.369 -4.201 -9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.879 -4.020 -11.186 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.480 -2.825 -9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.472 -4.278 -10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.820 -6.200 -10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.459 -6.549 -9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.130 -6.608 -8.873 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.804 -1.091 -8.211 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.936 -0.216 -8.474 1.00 0.00 C ATOM 1239 C ALA A 76 -16.609 -0.573 -9.794 1.00 0.00 C ATOM 1240 O ALA A 76 -17.834 -0.672 -9.868 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.488 1.240 -8.482 1.00 0.00 C ATOM 0 H ALA A 76 -13.921 -0.770 -8.609 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.665 -0.355 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.345 1.883 -8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.060 1.494 -7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.738 1.386 -9.259 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.807 -0.763 -10.837 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.336 -1.099 -12.152 1.00 0.00 C ATOM 1249 C TRP A 77 -15.277 -1.785 -13.011 1.00 0.00 C ATOM 1250 O TRP A 77 -14.084 -1.523 -12.871 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.860 0.160 -12.863 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.828 1.233 -13.060 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.485 2.214 -12.174 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -15.016 1.440 -14.223 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.509 3.019 -12.712 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.202 2.561 -13.968 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -14.894 0.785 -15.451 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.285 3.039 -14.898 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -13.982 1.261 -16.372 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.186 2.379 -16.092 1.00 0.00 C ATOM 0 H TRP A 77 -14.790 -0.690 -10.796 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.165 -1.793 -12.010 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.260 -0.126 -13.836 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.689 0.571 -12.286 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.918 2.339 -11.193 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.083 3.824 -12.253 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.502 -0.079 -15.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.672 3.902 -14.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -13.881 0.763 -17.325 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.481 2.726 -16.833 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.725 -2.680 -13.879 1.00 0.00 N ATOM 1272 CA ALA A 78 -14.849 -3.347 -14.831 1.00 0.00 C ATOM 1273 C ALA A 78 -15.579 -3.531 -16.152 1.00 0.00 C ATOM 1274 O ALA A 78 -16.639 -4.154 -16.193 1.00 0.00 O ATOM 1275 CB ALA A 78 -14.397 -4.691 -14.285 1.00 0.00 C ATOM 0 H ALA A 78 -16.703 -2.964 -13.943 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.965 -2.730 -14.994 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -13.743 -5.177 -15.009 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.856 -4.541 -13.351 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.268 -5.321 -14.103 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.029 -2.987 -17.228 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.698 -3.045 -18.519 1.00 0.00 C ATOM 1283 C ARG A 79 -14.687 -3.171 -19.655 1.00 0.00 C ATOM 1284 O ARG A 79 -13.627 -2.539 -19.622 1.00 0.00 O ATOM 1285 CB ARG A 79 -16.568 -1.799 -18.721 1.00 0.00 C ATOM 1286 CG ARG A 79 -17.453 -1.875 -19.954 1.00 0.00 C ATOM 1287 CD ARG A 79 -18.357 -0.661 -20.082 1.00 0.00 C ATOM 1288 NE ARG A 79 -19.260 -0.784 -21.225 1.00 0.00 N ATOM 1289 CZ ARG A 79 -20.344 -0.034 -21.413 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -20.641 0.947 -20.568 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -21.119 -0.255 -22.464 1.00 0.00 N ATOM 0 H ARG A 79 -14.130 -2.505 -17.234 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.335 -3.929 -18.532 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.195 -1.656 -17.841 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.923 -0.923 -18.799 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.829 -1.957 -20.844 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -18.063 -2.777 -19.908 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.939 -0.541 -19.168 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.749 0.237 -20.192 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.045 -1.493 -21.926 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -20.037 1.131 -19.767 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.473 1.516 -20.720 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.884 -0.996 -23.124 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.951 0.316 -22.613 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.027 -4.001 -20.644 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.197 -4.225 -21.832 1.00 0.00 C ATOM 1307 C ASP A 80 -12.894 -4.932 -21.462 1.00 0.00 C ATOM 1308 O ASP A 80 -12.824 -6.161 -21.456 1.00 0.00 O ATOM 1309 CB ASP A 80 -13.910 -2.906 -22.565 1.00 0.00 C ATOM 1310 CG ASP A 80 -13.250 -3.121 -23.912 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.981 -3.275 -24.912 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -12.006 -3.130 -23.980 1.00 0.00 O ATOM 0 H ASP A 80 -15.892 -4.541 -20.644 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.755 -4.871 -22.509 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.844 -2.361 -22.705 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.267 -2.282 -21.945 1.00 0.00 H new ATOM 1317 N GLY A 81 -11.877 -4.152 -21.146 1.00 0.00 N ATOM 1318 CA GLY A 81 -10.621 -4.705 -20.688 1.00 0.00 C ATOM 1319 C GLY A 81 -10.000 -3.834 -19.620 1.00 0.00 C ATOM 1320 O GLY A 81 -8.872 -4.067 -19.185 1.00 0.00 O ATOM 0 H GLY A 81 -11.898 -3.134 -21.199 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.784 -5.708 -20.294 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.934 -4.800 -21.529 1.00 0.00 H new ATOM 1324 N LEU A 82 -10.755 -2.833 -19.190 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.278 -1.870 -18.214 1.00 0.00 C ATOM 1326 C LEU A 82 -11.020 -2.040 -16.899 1.00 0.00 C ATOM 1327 O LEU A 82 -12.250 -2.143 -16.875 1.00 0.00 O ATOM 1328 CB LEU A 82 -10.465 -0.444 -18.739 1.00 0.00 C ATOM 1329 CG LEU A 82 -9.674 -0.103 -20.004 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -10.028 1.292 -20.490 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -8.178 -0.213 -19.745 1.00 0.00 C ATOM 0 H LEU A 82 -11.710 -2.668 -19.507 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.216 -2.047 -18.045 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.525 -0.284 -18.939 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.180 0.255 -17.953 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.941 -0.819 -20.781 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -9.457 1.519 -21.390 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.094 1.340 -20.714 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.788 2.019 -19.715 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.632 0.033 -20.656 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.894 0.480 -18.953 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.935 -1.231 -19.440 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.274 -2.077 -15.811 1.00 0.00 N ATOM 1344 CA LEU A 83 -10.864 -2.233 -14.494 1.00 0.00 C ATOM 1345 C LEU A 83 -10.514 -1.044 -13.614 1.00 0.00 C ATOM 1346 O LEU A 83 -9.338 -0.721 -13.430 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.393 -3.533 -13.838 1.00 0.00 C ATOM 1348 CG LEU A 83 -10.707 -4.810 -14.621 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -9.494 -5.277 -15.416 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.188 -5.897 -13.678 1.00 0.00 C ATOM 0 H LEU A 83 -9.257 -2.001 -15.813 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.947 -2.279 -14.609 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.315 -3.475 -13.686 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.850 -3.609 -12.851 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.503 -4.591 -15.332 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.745 -6.186 -15.963 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.199 -4.499 -16.121 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.668 -5.480 -14.734 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.408 -6.801 -14.246 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.412 -6.111 -12.943 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.090 -5.562 -13.166 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.538 -0.391 -13.084 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.331 0.757 -12.235 1.00 0.00 C ATOM 1364 C GLY A 84 -11.609 0.439 -10.783 1.00 0.00 C ATOM 1365 O GLY A 84 -12.755 0.187 -10.397 1.00 0.00 O ATOM 0 H GLY A 84 -12.516 -0.641 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.304 1.107 -12.340 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.980 1.571 -12.560 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.562 0.429 -9.980 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.694 0.152 -8.562 1.00 0.00 C ATOM 1371 C PHE A 85 -10.618 1.450 -7.778 1.00 0.00 C ATOM 1372 O PHE A 85 -9.917 2.378 -8.171 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.592 -0.801 -8.093 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.557 -2.114 -8.825 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -8.843 -2.248 -10.006 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -10.227 -3.217 -8.324 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.802 -3.457 -10.671 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -10.190 -4.427 -8.987 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.478 -4.548 -10.162 1.00 0.00 C ATOM 0 H PHE A 85 -9.606 0.610 -10.287 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.660 -0.323 -8.389 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.627 -0.308 -8.210 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.724 -0.995 -7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.313 -1.398 -10.410 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.785 -3.130 -7.404 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.241 -3.549 -11.589 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.719 -5.279 -8.586 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.449 -5.494 -10.683 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.347 1.519 -6.683 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.331 2.696 -5.839 1.00 0.00 C ATOM 1391 C GLU A 86 -10.357 2.484 -4.685 1.00 0.00 C ATOM 1392 O GLU A 86 -10.360 1.430 -4.052 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.739 2.986 -5.323 1.00 0.00 C ATOM 1394 CG GLU A 86 -12.859 4.302 -4.576 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.297 4.669 -4.289 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -14.826 4.251 -3.243 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -14.910 5.377 -5.116 1.00 0.00 O ATOM 0 H GLU A 86 -11.959 0.772 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.998 3.558 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.430 2.993 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.048 2.175 -4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.309 4.236 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.394 5.094 -5.163 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.518 3.475 -4.433 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.486 3.366 -3.411 1.00 0.00 C ATOM 1406 C CYS A 87 -9.021 3.765 -2.036 1.00 0.00 C ATOM 1407 O CYS A 87 -9.368 4.925 -1.813 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.299 4.255 -3.792 1.00 0.00 C ATOM 1409 SG CYS A 87 -6.552 3.833 -5.382 1.00 0.00 S ATOM 0 H CYS A 87 -9.530 4.369 -4.924 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.164 2.326 -3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.629 5.293 -3.821 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.539 4.184 -3.014 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.460 3.156 -5.182 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.102 2.800 -1.120 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.532 3.081 0.247 1.00 0.00 C ATOM 1417 C GLN A 88 -8.334 3.358 1.146 1.00 0.00 C ATOM 1418 O GLN A 88 -8.204 4.448 1.702 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.347 1.923 0.835 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.781 1.851 0.339 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.896 1.307 -1.066 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -11.091 0.480 -1.492 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -12.892 1.777 -1.795 1.00 0.00 N ATOM 0 H GLN A 88 -8.876 1.822 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.167 3.966 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.846 0.985 0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.355 2.015 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.361 1.222 1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.221 2.847 0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.535 2.462 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.018 1.455 -2.754 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.453 2.373 1.276 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.309 2.485 2.176 1.00 0.00 C ATOM 1434 C HIS A 89 -5.008 2.437 1.394 1.00 0.00 C ATOM 1435 O HIS A 89 -4.553 1.369 0.992 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.333 1.359 3.225 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.197 1.396 4.216 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.335 1.857 5.507 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -3.903 1.006 4.103 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.182 1.753 6.140 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.294 1.239 5.312 1.00 0.00 N ATOM 0 H HIS A 89 -7.508 1.489 0.771 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.375 3.444 2.690 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.275 1.410 3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.315 0.399 2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.436 0.588 3.223 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.997 2.041 7.164 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.317 1.046 5.533 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.420 3.593 1.170 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.124 3.663 0.523 1.00 0.00 C ATOM 1452 C ILE A 90 -2.056 3.899 1.580 1.00 0.00 C ATOM 1453 O ILE A 90 -2.186 4.806 2.403 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.062 4.793 -0.528 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.306 4.766 -1.422 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.804 4.647 -1.373 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -4.370 5.913 -2.409 1.00 0.00 C ATOM 0 H ILE A 90 -4.817 4.497 1.425 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.954 2.719 0.005 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.033 5.751 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.328 3.824 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.196 4.789 -0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.767 5.447 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.925 4.706 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.818 3.683 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.277 5.828 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.380 6.859 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.499 5.879 -3.064 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.021 3.072 1.582 1.00 0.00 N ATOM 1470 CA ASP A 91 0.030 3.193 2.584 1.00 0.00 C ATOM 1471 C ASP A 91 0.805 4.485 2.363 1.00 0.00 C ATOM 1472 O ASP A 91 1.112 4.832 1.224 1.00 0.00 O ATOM 1473 CB ASP A 91 0.981 1.999 2.523 1.00 0.00 C ATOM 1474 CG ASP A 91 1.846 1.898 3.762 1.00 0.00 C ATOM 1475 OD1 ASP A 91 1.674 0.926 4.526 1.00 0.00 O ATOM 1476 OD2 ASP A 91 2.673 2.802 3.994 1.00 0.00 O ATOM 0 H ASP A 91 -0.886 2.317 0.909 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.434 3.211 3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.404 1.081 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.618 2.087 1.643 1.00 0.00 H new ATOM 1481 N LEU A 92 1.117 5.190 3.446 1.00 0.00 N ATOM 1482 CA LEU A 92 1.803 6.479 3.353 1.00 0.00 C ATOM 1483 C LEU A 92 3.178 6.331 2.711 1.00 0.00 C ATOM 1484 O LEU A 92 3.654 7.245 2.036 1.00 0.00 O ATOM 1485 CB LEU A 92 1.931 7.141 4.731 1.00 0.00 C ATOM 1486 CG LEU A 92 0.668 7.849 5.242 1.00 0.00 C ATOM 1487 CD1 LEU A 92 -0.449 6.853 5.519 1.00 0.00 C ATOM 1488 CD2 LEU A 92 0.981 8.655 6.492 1.00 0.00 C ATOM 0 H LEU A 92 0.907 4.893 4.399 1.00 0.00 H new ATOM 0 HA LEU A 92 1.195 7.122 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.218 6.379 5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.743 7.867 4.692 1.00 0.00 H new ATOM 0 HG LEU A 92 0.326 8.529 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.330 7.385 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.697 6.320 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.121 6.140 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.075 9.151 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.354 7.989 7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.739 9.404 6.262 1.00 0.00 H new ATOM 1500 N ASP A 93 3.806 5.179 2.907 1.00 0.00 N ATOM 1501 CA ASP A 93 5.082 4.899 2.259 1.00 0.00 C ATOM 1502 C ASP A 93 4.870 4.778 0.757 1.00 0.00 C ATOM 1503 O ASP A 93 5.629 5.330 -0.042 1.00 0.00 O ATOM 1504 CB ASP A 93 5.704 3.615 2.814 1.00 0.00 C ATOM 1505 CG ASP A 93 6.937 3.182 2.042 1.00 0.00 C ATOM 1506 OD1 ASP A 93 6.852 2.185 1.293 1.00 0.00 O ATOM 1507 OD2 ASP A 93 7.988 3.843 2.162 1.00 0.00 O ATOM 0 H ASP A 93 3.457 4.429 3.504 1.00 0.00 H new ATOM 0 HA ASP A 93 5.769 5.720 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.970 3.767 3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.963 2.816 2.786 1.00 0.00 H new ATOM 1512 N SER A 94 3.804 4.086 0.383 1.00 0.00 N ATOM 1513 CA SER A 94 3.451 3.914 -1.016 1.00 0.00 C ATOM 1514 C SER A 94 3.027 5.246 -1.641 1.00 0.00 C ATOM 1515 O SER A 94 3.365 5.531 -2.791 1.00 0.00 O ATOM 1516 CB SER A 94 2.334 2.879 -1.143 1.00 0.00 C ATOM 1517 OG SER A 94 2.748 1.626 -0.617 1.00 0.00 O ATOM 0 H SER A 94 3.165 3.632 1.035 1.00 0.00 H new ATOM 0 HA SER A 94 4.328 3.558 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.447 3.227 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.055 2.765 -2.190 1.00 0.00 H new ATOM 0 HG SER A 94 3.716 1.528 -0.730 1.00 0.00 H new ATOM 1523 N ILE A 95 2.296 6.056 -0.875 1.00 0.00 N ATOM 1524 CA ILE A 95 1.919 7.399 -1.306 1.00 0.00 C ATOM 1525 C ILE A 95 3.166 8.221 -1.601 1.00 0.00 C ATOM 1526 O ILE A 95 3.254 8.896 -2.630 1.00 0.00 O ATOM 1527 CB ILE A 95 1.075 8.137 -0.236 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.229 7.385 0.040 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.779 9.564 -0.682 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.066 8.007 1.137 1.00 0.00 C ATOM 0 H ILE A 95 1.953 5.802 0.051 1.00 0.00 H new ATOM 0 HA ILE A 95 1.314 7.290 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 95 1.652 8.173 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.817 7.346 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.005 6.356 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.186 10.068 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.716 10.102 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.223 9.544 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.974 7.421 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.496 8.021 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.331 9.027 0.858 1.00 0.00 H new ATOM 1542 N SER A 96 4.134 8.142 -0.696 1.00 0.00 N ATOM 1543 CA SER A 96 5.383 8.867 -0.850 1.00 0.00 C ATOM 1544 C SER A 96 6.127 8.403 -2.100 1.00 0.00 C ATOM 1545 O SER A 96 6.674 9.221 -2.835 1.00 0.00 O ATOM 1546 CB SER A 96 6.247 8.695 0.398 1.00 0.00 C ATOM 1547 OG SER A 96 5.559 9.157 1.551 1.00 0.00 O ATOM 0 H SER A 96 4.075 7.581 0.154 1.00 0.00 H new ATOM 0 HA SER A 96 5.160 9.927 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.511 7.645 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.180 9.246 0.280 1.00 0.00 H new ATOM 0 HG SER A 96 4.941 8.463 1.863 1.00 0.00 H new ATOM 1553 N HIS A 97 6.122 7.093 -2.352 1.00 0.00 N ATOM 1554 CA HIS A 97 6.735 6.557 -3.567 1.00 0.00 C ATOM 1555 C HIS A 97 6.053 7.137 -4.800 1.00 0.00 C ATOM 1556 O HIS A 97 6.710 7.662 -5.694 1.00 0.00 O ATOM 1557 CB HIS A 97 6.641 5.026 -3.629 1.00 0.00 C ATOM 1558 CG HIS A 97 7.371 4.305 -2.541 1.00 0.00 C ATOM 1559 ND1 HIS A 97 8.644 4.626 -2.137 1.00 0.00 N ATOM 1560 CD2 HIS A 97 6.988 3.265 -1.770 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.010 3.817 -1.163 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.022 2.979 -0.917 1.00 0.00 N ATOM 0 H HIS A 97 5.706 6.392 -1.739 1.00 0.00 H new ATOM 0 HA HIS A 97 7.787 6.841 -3.546 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.590 4.739 -3.593 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.030 4.691 -4.591 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.039 2.752 -1.817 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.961 3.837 -0.651 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.027 2.243 -0.211 1.00 0.00 H new ATOM 1571 N LEU A 98 4.726 7.047 -4.819 1.00 0.00 N ATOM 1572 CA LEU A 98 3.922 7.504 -5.949 1.00 0.00 C ATOM 1573 C LEU A 98 4.179 8.982 -6.232 1.00 0.00 C ATOM 1574 O LEU A 98 4.618 9.351 -7.323 1.00 0.00 O ATOM 1575 CB LEU A 98 2.431 7.258 -5.642 1.00 0.00 C ATOM 1576 CG LEU A 98 1.452 7.336 -6.829 1.00 0.00 C ATOM 1577 CD1 LEU A 98 1.245 8.770 -7.299 1.00 0.00 C ATOM 1578 CD2 LEU A 98 1.940 6.467 -7.976 1.00 0.00 C ATOM 0 H LEU A 98 4.178 6.656 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 98 4.203 6.943 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.336 6.271 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.115 7.984 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 98 0.488 6.961 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.548 8.781 -8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.839 9.366 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.200 9.191 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.238 6.533 -8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.921 6.812 -8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.012 5.432 -7.643 1.00 0.00 H new ATOM 1590 N ARG A 99 3.923 9.816 -5.235 1.00 0.00 N ATOM 1591 CA ARG A 99 4.021 11.260 -5.392 1.00 0.00 C ATOM 1592 C ARG A 99 5.434 11.693 -5.779 1.00 0.00 C ATOM 1593 O ARG A 99 5.616 12.447 -6.736 1.00 0.00 O ATOM 1594 CB ARG A 99 3.588 11.953 -4.101 1.00 0.00 C ATOM 1595 CG ARG A 99 3.751 13.463 -4.123 1.00 0.00 C ATOM 1596 CD ARG A 99 3.362 14.078 -2.790 1.00 0.00 C ATOM 1597 NE ARG A 99 3.567 15.525 -2.774 1.00 0.00 N ATOM 1598 CZ ARG A 99 3.720 16.241 -1.659 1.00 0.00 C ATOM 1599 NH1 ARG A 99 3.678 15.643 -0.472 1.00 0.00 N ATOM 1600 NH2 ARG A 99 3.915 17.552 -1.729 1.00 0.00 N ATOM 0 H ARG A 99 3.644 9.514 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 99 3.355 11.555 -6.203 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.543 11.714 -3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.168 11.548 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.786 13.716 -4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.134 13.886 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.315 13.858 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.949 13.620 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 99 3.595 16.016 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.529 14.636 -0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.795 16.192 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.948 18.015 -2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.032 18.097 -0.874 1.00 0.00 H new ATOM 1614 N ARG A 100 6.430 11.198 -5.051 1.00 0.00 N ATOM 1615 CA ARG A 100 7.809 11.614 -5.274 1.00 0.00 C ATOM 1616 C ARG A 100 8.332 11.135 -6.622 1.00 0.00 C ATOM 1617 O ARG A 100 9.016 11.878 -7.316 1.00 0.00 O ATOM 1618 CB ARG A 100 8.722 11.114 -4.153 1.00 0.00 C ATOM 1619 CG ARG A 100 8.467 11.786 -2.813 1.00 0.00 C ATOM 1620 CD ARG A 100 9.444 11.305 -1.753 1.00 0.00 C ATOM 1621 NE ARG A 100 9.297 12.039 -0.496 1.00 0.00 N ATOM 1622 CZ ARG A 100 10.164 11.971 0.512 1.00 0.00 C ATOM 1623 NH1 ARG A 100 11.234 11.191 0.425 1.00 0.00 N ATOM 1624 NH2 ARG A 100 9.967 12.691 1.607 1.00 0.00 N ATOM 0 H ARG A 100 6.309 10.512 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 100 7.816 12.704 -5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.590 10.038 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.760 11.279 -4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.553 12.867 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.447 11.579 -2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.287 10.242 -1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.463 11.419 -2.122 1.00 0.00 H new ATOM 0 HE ARG A 100 8.480 12.640 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.396 10.639 -0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.895 11.143 1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.150 13.298 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.632 12.638 2.379 1.00 0.00 H new ATOM 1638 N LEU A 101 7.999 9.907 -7.004 1.00 0.00 N ATOM 1639 CA LEU A 101 8.497 9.344 -8.257 1.00 0.00 C ATOM 1640 C LEU A 101 7.996 10.151 -9.452 1.00 0.00 C ATOM 1641 O LEU A 101 8.755 10.448 -10.379 1.00 0.00 O ATOM 1642 CB LEU A 101 8.075 7.879 -8.396 1.00 0.00 C ATOM 1643 CG LEU A 101 8.639 7.149 -9.617 1.00 0.00 C ATOM 1644 CD1 LEU A 101 10.161 7.140 -9.587 1.00 0.00 C ATOM 1645 CD2 LEU A 101 8.105 5.728 -9.675 1.00 0.00 C ATOM 0 H LEU A 101 7.391 9.285 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 101 9.586 9.394 -8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.383 7.343 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.987 7.834 -8.437 1.00 0.00 H new ATOM 0 HG LEU A 101 8.318 7.682 -10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.539 6.616 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.531 8.165 -9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.504 6.633 -8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.515 5.221 -10.549 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.399 5.192 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.018 5.751 -9.745 1.00 0.00 H new ATOM 1657 N VAL A 102 6.724 10.521 -9.421 1.00 0.00 N ATOM 1658 CA VAL A 102 6.133 11.297 -10.501 1.00 0.00 C ATOM 1659 C VAL A 102 6.664 12.729 -10.487 1.00 0.00 C ATOM 1660 O VAL A 102 6.957 13.299 -11.535 1.00 0.00 O ATOM 1661 CB VAL A 102 4.592 11.315 -10.416 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.991 12.088 -11.582 1.00 0.00 C ATOM 1663 CG2 VAL A 102 4.040 9.899 -10.380 1.00 0.00 C ATOM 0 H VAL A 102 6.082 10.297 -8.661 1.00 0.00 H new ATOM 0 HA VAL A 102 6.417 10.814 -11.436 1.00 0.00 H new ATOM 0 HB VAL A 102 4.313 11.820 -9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.904 12.086 -11.499 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.354 13.116 -11.563 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.284 11.617 -12.520 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.952 9.934 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.337 9.370 -11.285 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.435 9.377 -9.509 1.00 0.00 H new ATOM 1673 N GLU A 103 6.814 13.292 -9.294 1.00 0.00 N ATOM 1674 CA GLU A 103 7.279 14.669 -9.143 1.00 0.00 C ATOM 1675 C GLU A 103 8.742 14.810 -9.581 1.00 0.00 C ATOM 1676 O GLU A 103 9.111 15.793 -10.226 1.00 0.00 O ATOM 1677 CB GLU A 103 7.109 15.120 -7.692 1.00 0.00 C ATOM 1678 CG GLU A 103 7.388 16.596 -7.467 1.00 0.00 C ATOM 1679 CD GLU A 103 7.132 17.016 -6.035 1.00 0.00 C ATOM 1680 OE1 GLU A 103 6.047 17.571 -5.759 1.00 0.00 O ATOM 1681 OE2 GLU A 103 8.011 16.784 -5.178 1.00 0.00 O ATOM 0 H GLU A 103 6.620 12.816 -8.413 1.00 0.00 H new ATOM 0 HA GLU A 103 6.675 15.308 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.091 14.900 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.776 14.534 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.424 16.812 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.762 17.188 -8.135 1.00 0.00 H new ATOM 1688 N LEU A 104 9.565 13.820 -9.247 1.00 0.00 N ATOM 1689 CA LEU A 104 10.971 13.816 -9.651 1.00 0.00 C ATOM 1690 C LEU A 104 11.107 13.835 -11.171 1.00 0.00 C ATOM 1691 O LEU A 104 12.044 14.425 -11.715 1.00 0.00 O ATOM 1692 CB LEU A 104 11.695 12.588 -9.087 1.00 0.00 C ATOM 1693 CG LEU A 104 11.943 12.607 -7.577 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.552 11.291 -7.122 1.00 0.00 C ATOM 1695 CD2 LEU A 104 12.851 13.768 -7.204 1.00 0.00 C ATOM 0 H LEU A 104 9.284 13.008 -8.697 1.00 0.00 H new ATOM 0 HA LEU A 104 11.430 14.718 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.112 11.700 -9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.655 12.489 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 104 10.986 12.738 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.722 11.322 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.871 10.474 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.501 11.133 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.018 13.768 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.806 13.663 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.381 14.706 -7.498 1.00 0.00 H new ATOM 1707 N ASN A 105 10.170 13.193 -11.850 1.00 0.00 N ATOM 1708 CA ASN A 105 10.176 13.147 -13.308 1.00 0.00 C ATOM 1709 C ASN A 105 9.457 14.354 -13.897 1.00 0.00 C ATOM 1710 O ASN A 105 9.791 14.807 -14.988 1.00 0.00 O ATOM 1711 CB ASN A 105 9.525 11.854 -13.811 1.00 0.00 C ATOM 1712 CG ASN A 105 10.444 10.648 -13.711 1.00 0.00 C ATOM 1713 OD1 ASN A 105 11.179 10.336 -14.648 1.00 0.00 O ATOM 1714 ND2 ASN A 105 10.409 9.957 -12.580 1.00 0.00 N ATOM 0 H ASN A 105 9.393 12.695 -11.416 1.00 0.00 H new ATOM 0 HA ASN A 105 11.215 13.170 -13.636 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.619 11.662 -13.236 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.221 11.987 -14.849 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.004 9.137 -12.465 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.787 10.246 -11.825 1.00 0.00 H new ATOM 1721 N LEU A 106 8.469 14.864 -13.157 1.00 0.00 N ATOM 1722 CA LEU A 106 7.643 15.987 -13.605 1.00 0.00 C ATOM 1723 C LEU A 106 6.898 15.605 -14.885 1.00 0.00 C ATOM 1724 O LEU A 106 6.615 16.446 -15.738 1.00 0.00 O ATOM 1725 CB LEU A 106 8.506 17.240 -13.827 1.00 0.00 C ATOM 1726 CG LEU A 106 7.957 18.543 -13.224 1.00 0.00 C ATOM 1727 CD1 LEU A 106 6.621 18.922 -13.845 1.00 0.00 C ATOM 1728 CD2 LEU A 106 7.821 18.417 -11.716 1.00 0.00 C ATOM 0 H LEU A 106 8.220 14.511 -12.233 1.00 0.00 H new ATOM 0 HA LEU A 106 6.911 16.218 -12.831 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.495 17.056 -13.408 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.636 17.384 -14.900 1.00 0.00 H new ATOM 0 HG LEU A 106 8.669 19.338 -13.448 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.261 19.848 -13.396 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.746 19.064 -14.919 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.898 18.127 -13.666 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.431 19.349 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.137 17.602 -11.479 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.798 18.209 -11.279 1.00 0.00 H new ATOM 1740 N GLY A 107 6.552 14.326 -14.985 1.00 0.00 N ATOM 1741 CA GLY A 107 5.881 13.818 -16.166 1.00 0.00 C ATOM 1742 C GLY A 107 4.390 14.088 -16.151 1.00 0.00 C ATOM 1743 O GLY A 107 3.590 13.170 -16.324 1.00 0.00 O ATOM 0 H GLY A 107 6.726 13.628 -14.262 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.320 14.274 -17.053 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.051 12.744 -16.242 1.00 0.00 H new ATOM 1747 N ASP A 108 4.035 15.354 -15.942 1.00 0.00 N ATOM 1748 CA ASP A 108 2.644 15.804 -15.914 1.00 0.00 C ATOM 1749 C ASP A 108 1.841 15.076 -14.835 1.00 0.00 C ATOM 1750 O ASP A 108 1.107 14.125 -15.109 1.00 0.00 O ATOM 1751 CB ASP A 108 1.980 15.637 -17.289 1.00 0.00 C ATOM 1752 CG ASP A 108 2.655 16.467 -18.368 1.00 0.00 C ATOM 1753 OD1 ASP A 108 3.196 15.879 -19.335 1.00 0.00 O ATOM 1754 OD2 ASP A 108 2.642 17.707 -18.263 1.00 0.00 O ATOM 0 H ASP A 108 4.710 16.103 -15.786 1.00 0.00 H new ATOM 0 HA ASP A 108 2.651 16.865 -15.666 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.005 14.586 -17.575 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.931 15.923 -17.219 1.00 0.00 H new ATOM 1759 N GLU A 109 1.977 15.542 -13.599 1.00 0.00 N ATOM 1760 CA GLU A 109 1.289 14.930 -12.467 1.00 0.00 C ATOM 1761 C GLU A 109 -0.123 15.490 -12.324 1.00 0.00 C ATOM 1762 O GLU A 109 -0.863 15.128 -11.408 1.00 0.00 O ATOM 1763 CB GLU A 109 2.073 15.125 -11.157 1.00 0.00 C ATOM 1764 CG GLU A 109 3.286 16.047 -11.257 1.00 0.00 C ATOM 1765 CD GLU A 109 2.918 17.495 -11.508 1.00 0.00 C ATOM 1766 OE1 GLU A 109 2.612 18.214 -10.533 1.00 0.00 O ATOM 1767 OE2 GLU A 109 2.937 17.917 -12.679 1.00 0.00 O ATOM 0 H GLU A 109 2.559 16.343 -13.354 1.00 0.00 H new ATOM 0 HA GLU A 109 1.224 13.860 -12.665 1.00 0.00 H new ATOM 0 HB2 GLU A 109 1.395 15.523 -10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.406 14.149 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.862 15.980 -10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.933 15.699 -12.062 1.00 0.00 H new ATOM 1774 N GLU A 110 -0.493 16.362 -13.250 1.00 0.00 N ATOM 1775 CA GLU A 110 -1.830 16.947 -13.286 1.00 0.00 C ATOM 1776 C GLU A 110 -2.870 15.876 -13.629 1.00 0.00 C ATOM 1777 O GLU A 110 -4.061 16.026 -13.359 1.00 0.00 O ATOM 1778 CB GLU A 110 -1.861 18.075 -14.327 1.00 0.00 C ATOM 1779 CG GLU A 110 -3.171 18.847 -14.385 1.00 0.00 C ATOM 1780 CD GLU A 110 -3.150 19.947 -15.431 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -2.542 21.008 -15.171 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -3.744 19.761 -16.515 1.00 0.00 O ATOM 0 H GLU A 110 0.122 16.685 -13.997 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.072 17.355 -12.305 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.052 18.773 -14.111 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.661 17.650 -15.310 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.986 18.157 -14.604 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.376 19.283 -13.407 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.395 14.779 -14.205 1.00 0.00 N ATOM 1790 CA LEU A 111 -3.264 13.715 -14.687 1.00 0.00 C ATOM 1791 C LEU A 111 -3.899 12.929 -13.540 1.00 0.00 C ATOM 1792 O LEU A 111 -5.055 12.517 -13.627 1.00 0.00 O ATOM 1793 CB LEU A 111 -2.467 12.758 -15.578 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.708 13.417 -16.734 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.889 12.383 -17.490 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.671 14.131 -17.673 1.00 0.00 C ATOM 0 H LEU A 111 -1.401 14.603 -14.350 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.066 14.182 -15.258 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.752 12.220 -14.956 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.152 12.017 -15.991 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.026 14.159 -16.318 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.356 12.868 -18.308 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.171 11.921 -16.812 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.552 11.617 -17.893 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.111 14.592 -18.487 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.380 13.412 -18.082 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.212 14.901 -17.123 1.00 0.00 H new ATOM 1808 N LEU A 112 -3.155 12.748 -12.455 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.577 11.847 -11.384 1.00 0.00 C ATOM 1810 C LEU A 112 -4.472 12.541 -10.358 1.00 0.00 C ATOM 1811 O LEU A 112 -4.860 11.937 -9.355 1.00 0.00 O ATOM 1812 CB LEU A 112 -2.347 11.213 -10.705 1.00 0.00 C ATOM 1813 CG LEU A 112 -1.274 12.188 -10.199 1.00 0.00 C ATOM 1814 CD1 LEU A 112 -1.631 12.758 -8.829 1.00 0.00 C ATOM 1815 CD2 LEU A 112 0.085 11.503 -10.156 1.00 0.00 C ATOM 0 H LEU A 112 -2.260 13.210 -12.292 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.177 11.058 -11.838 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.692 10.615 -9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.881 10.527 -11.412 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.227 13.023 -10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.848 13.443 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.578 13.294 -8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.722 11.945 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.836 12.206 -9.795 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.039 10.645 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.355 11.166 -11.157 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.828 13.792 -10.616 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.628 14.550 -9.665 1.00 0.00 C ATOM 1829 C GLU A 113 -7.004 14.893 -10.245 1.00 0.00 C ATOM 1830 O GLU A 113 -7.677 15.814 -9.785 1.00 0.00 O ATOM 1831 CB GLU A 113 -4.885 15.822 -9.245 1.00 0.00 C ATOM 1832 CG GLU A 113 -5.464 16.486 -8.005 1.00 0.00 C ATOM 1833 CD GLU A 113 -4.712 17.732 -7.605 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -3.817 17.635 -6.742 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -5.013 18.815 -8.147 1.00 0.00 O ATOM 0 H GLU A 113 -4.579 14.298 -11.466 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.787 13.929 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -3.839 15.577 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.905 16.533 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.508 16.740 -8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.449 15.776 -7.178 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.438 14.139 -11.248 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.782 14.318 -11.785 1.00 0.00 C ATOM 1844 C ARG A 114 -9.793 13.615 -10.878 1.00 0.00 C ATOM 1845 O ARG A 114 -10.275 14.182 -9.905 1.00 0.00 O ATOM 1846 CB ARG A 114 -8.906 13.748 -13.203 1.00 0.00 C ATOM 1847 CG ARG A 114 -7.807 14.154 -14.168 1.00 0.00 C ATOM 1848 CD ARG A 114 -8.030 13.499 -15.523 1.00 0.00 C ATOM 1849 NE ARG A 114 -6.892 13.652 -16.425 1.00 0.00 N ATOM 1850 CZ ARG A 114 -7.013 13.990 -17.713 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -8.206 14.248 -18.230 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -5.944 14.070 -18.489 1.00 0.00 N ATOM 0 H ARG A 114 -6.889 13.408 -11.701 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.984 15.388 -11.826 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.925 12.660 -13.138 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.864 14.060 -13.619 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.792 15.238 -14.278 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.836 13.860 -13.769 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -8.232 12.438 -15.378 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -8.916 13.932 -15.988 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.956 13.493 -16.053 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -9.039 14.189 -17.644 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -8.291 14.505 -19.213 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.020 13.873 -18.106 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -6.045 14.328 -19.471 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.067 12.355 -11.202 1.00 0.00 N ATOM 1867 CA GLU A 115 -10.981 11.504 -10.444 1.00 0.00 C ATOM 1868 C GLU A 115 -11.011 10.149 -11.140 1.00 0.00 C ATOM 1869 O GLU A 115 -10.612 10.063 -12.296 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.389 12.127 -10.391 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.421 11.300 -9.637 1.00 0.00 C ATOM 1872 CD GLU A 115 -12.988 10.972 -8.226 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -13.385 11.692 -7.287 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -12.246 9.988 -8.053 1.00 0.00 O ATOM 0 H GLU A 115 -9.655 11.889 -12.010 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.644 11.397 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.320 13.110 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.742 12.282 -11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.365 11.845 -9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.606 10.373 -10.181 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.452 9.102 -10.453 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.511 7.770 -11.054 1.00 0.00 C ATOM 1883 C LEU A 116 -12.317 7.802 -12.354 1.00 0.00 C ATOM 1884 O LEU A 116 -11.847 7.350 -13.397 1.00 0.00 O ATOM 1885 CB LEU A 116 -12.121 6.757 -10.074 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.224 5.319 -10.600 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.847 4.764 -10.922 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.928 4.428 -9.589 1.00 0.00 C ATOM 0 H LEU A 116 -11.773 9.146 -9.486 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.493 7.456 -11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.523 6.752 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.119 7.098 -9.798 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.813 5.336 -11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.944 3.744 -11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.374 5.384 -11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.234 4.766 -10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.991 3.413 -9.981 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.366 4.423 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.933 4.809 -9.405 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.513 8.377 -12.291 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.382 8.488 -13.461 1.00 0.00 C ATOM 1902 C ALA A 117 -13.906 9.577 -14.428 1.00 0.00 C ATOM 1903 O ALA A 117 -14.481 9.759 -15.502 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.814 8.763 -13.026 1.00 0.00 C ATOM 0 H ALA A 117 -13.906 8.776 -11.438 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.340 7.537 -13.992 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.452 8.844 -13.906 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.166 7.946 -12.396 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.851 9.696 -12.464 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.860 10.301 -14.047 1.00 0.00 N ATOM 1911 CA LEU A 118 -12.307 11.346 -14.898 1.00 0.00 C ATOM 1912 C LEU A 118 -11.013 10.886 -15.556 1.00 0.00 C ATOM 1913 O LEU A 118 -10.458 11.583 -16.405 1.00 0.00 O ATOM 1914 CB LEU A 118 -12.042 12.626 -14.103 1.00 0.00 C ATOM 1915 CG LEU A 118 -13.281 13.398 -13.646 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -12.866 14.646 -12.881 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -14.151 13.768 -14.839 1.00 0.00 C ATOM 0 H LEU A 118 -12.379 10.183 -13.155 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.047 11.556 -15.670 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.453 12.368 -13.223 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.429 13.289 -14.713 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.865 12.759 -12.983 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.755 15.189 -12.560 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -12.281 14.359 -12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.264 15.285 -13.527 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.027 14.317 -14.494 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.580 14.392 -15.526 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.470 12.861 -15.352 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.519 9.727 -15.148 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.294 9.199 -15.719 1.00 0.00 C ATOM 1931 C LEU A 119 -9.600 8.280 -16.887 1.00 0.00 C ATOM 1932 O LEU A 119 -10.251 7.245 -16.732 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.454 8.463 -14.672 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.247 9.247 -14.144 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.691 10.411 -13.278 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -6.315 8.333 -13.368 1.00 0.00 C ATOM 0 H LEU A 119 -10.944 9.140 -14.430 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.711 10.046 -16.080 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.096 8.203 -13.830 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.100 7.527 -15.104 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.706 9.649 -15.000 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.815 10.950 -12.916 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.315 11.084 -13.866 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.262 10.036 -12.429 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.464 8.907 -13.001 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.851 7.899 -12.524 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.960 7.536 -14.021 1.00 0.00 H new ATOM 1948 N VAL A 120 -9.146 8.681 -18.055 1.00 0.00 N ATOM 1949 CA VAL A 120 -9.286 7.876 -19.245 1.00 0.00 C ATOM 1950 C VAL A 120 -7.923 7.314 -19.622 1.00 0.00 C ATOM 1951 O VAL A 120 -6.917 8.023 -19.561 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.898 8.685 -20.415 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.059 9.912 -20.738 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.070 7.811 -21.647 1.00 0.00 C ATOM 0 H VAL A 120 -8.671 9.571 -18.204 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.975 7.057 -19.039 1.00 0.00 H new ATOM 0 HB VAL A 120 -10.883 9.028 -20.099 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -9.516 10.458 -21.564 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -9.006 10.558 -19.861 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -8.053 9.601 -21.021 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.501 8.402 -22.455 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -9.099 7.425 -21.958 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.733 6.978 -21.413 1.00 0.00 H new ATOM 1964 N SER A 121 -7.895 6.041 -19.974 1.00 0.00 N ATOM 1965 CA SER A 121 -6.649 5.339 -20.223 1.00 0.00 C ATOM 1966 C SER A 121 -5.905 5.894 -21.435 1.00 0.00 C ATOM 1967 O SER A 121 -6.431 6.733 -22.171 1.00 0.00 O ATOM 1968 CB SER A 121 -6.935 3.852 -20.426 1.00 0.00 C ATOM 1969 OG SER A 121 -7.882 3.644 -21.462 1.00 0.00 O ATOM 0 H SER A 121 -8.730 5.468 -20.095 1.00 0.00 H new ATOM 0 HA SER A 121 -6.007 5.484 -19.354 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.008 3.331 -20.668 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.309 3.422 -19.497 1.00 0.00 H new ATOM 0 HG SER A 121 -7.708 2.783 -21.896 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.674 5.417 -21.623 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.881 5.712 -22.819 1.00 0.00 C ATOM 1977 C ALA A 122 -4.713 5.529 -24.090 1.00 0.00 C ATOM 1978 O ALA A 122 -4.523 6.227 -25.083 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.650 4.817 -22.850 1.00 0.00 C ATOM 0 H ALA A 122 -4.198 4.815 -20.951 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.564 6.754 -22.779 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.062 5.038 -23.741 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.046 4.999 -21.961 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.960 3.772 -22.870 1.00 0.00 H new