USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 631 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 96 GLN : amide:sc= -2.13! C(o=-1.7!,f=-3.3!) USER MOD Set 1.2: A 98 TYR OH : rot -60:sc= 0.394 USER MOD Set 2.1: A 45 CYS SG : rot 60:sc= -0.466 USER MOD Set 2.2: A 67 GLN : amide:sc= -0.671 K(o=-1.1,f=-2.2) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.11) USER MOD Single : A 44 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.73) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 50 MET CE :methyl 152:sc= -3.71! (180deg=-4.39!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.266 USER MOD Single : A 88 CYS SG : rot -70:sc= -1.41 USER MOD Single : A 92 ASN : amide:sc=-0.00881 X(o=-0.0088,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.11) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc=-0.00544 X(o=-0.0054,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -0.0421 X(o=-0.042,f=-0.02) USER MOD Single : A 117 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.42) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 1.906 2.293 -4.747 1.00 0.00 N ATOM 202 CA ARG A 16 2.237 3.707 -4.775 1.00 0.00 C ATOM 203 C ARG A 16 1.045 4.522 -5.283 1.00 0.00 C ATOM 204 O ARG A 16 0.688 4.440 -6.457 1.00 0.00 O ATOM 205 CB ARG A 16 3.447 3.972 -5.674 1.00 0.00 C ATOM 206 CG ARG A 16 4.602 4.578 -4.875 1.00 0.00 C ATOM 207 CD ARG A 16 4.942 5.981 -5.382 1.00 0.00 C ATOM 208 NE ARG A 16 6.410 6.136 -5.495 1.00 0.00 N ATOM 209 CZ ARG A 16 7.145 5.621 -6.489 1.00 0.00 C ATOM 210 NH1 ARG A 16 6.555 4.914 -7.462 1.00 0.00 N ATOM 211 NH2 ARG A 16 8.472 5.812 -6.510 1.00 0.00 N ATOM 0 HA ARG A 16 2.481 4.010 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.771 3.040 -6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.164 4.648 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.334 4.624 -3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.480 3.936 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.474 6.149 -6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.540 6.730 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 16 6.892 6.668 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.546 4.768 -7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.115 4.522 -8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.922 6.350 -5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.032 5.420 -7.267 1.00 0.00 H new ATOM 225 N ILE A 17 0.463 5.288 -4.372 1.00 0.00 N ATOM 226 CA ILE A 17 -0.681 6.116 -4.713 1.00 0.00 C ATOM 227 C ILE A 17 -0.249 7.583 -4.755 1.00 0.00 C ATOM 228 O ILE A 17 0.693 7.977 -4.068 1.00 0.00 O ATOM 229 CB ILE A 17 -1.843 5.845 -3.755 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.181 6.222 -4.395 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.628 6.554 -2.417 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.260 5.190 -4.060 1.00 0.00 C ATOM 0 H ILE A 17 0.762 5.353 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.051 5.863 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.874 4.775 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.492 7.206 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.064 6.293 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.468 6.345 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.707 6.195 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.556 7.629 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.200 5.482 -4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.957 4.212 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.392 5.139 -2.979 1.00 0.00 H new ATOM 244 N CYS A 18 -0.958 8.353 -5.567 1.00 0.00 N ATOM 245 CA CYS A 18 -0.660 9.768 -5.708 1.00 0.00 C ATOM 246 C CYS A 18 -1.971 10.512 -5.971 1.00 0.00 C ATOM 247 O CYS A 18 -2.846 10.006 -6.673 1.00 0.00 O ATOM 248 CB CYS A 18 0.371 10.022 -6.809 1.00 0.00 C ATOM 249 SG CYS A 18 -0.094 9.109 -8.325 1.00 0.00 S ATOM 0 H CYS A 18 -1.739 8.023 -6.135 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.211 10.141 -4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.432 11.089 -7.022 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.359 9.707 -6.473 1.00 0.00 H new ATOM 0 HG CYS A 18 0.787 9.334 -9.254 1.00 0.00 H new ATOM 255 N GLY A 19 -2.066 11.701 -5.394 1.00 0.00 N ATOM 256 CA GLY A 19 -3.255 12.519 -5.558 1.00 0.00 C ATOM 257 C GLY A 19 -3.188 13.767 -4.675 1.00 0.00 C ATOM 258 O GLY A 19 -2.234 13.946 -3.919 1.00 0.00 O ATOM 0 H GLY A 19 -1.339 12.117 -4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.357 12.813 -6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.140 11.936 -5.303 1.00 0.00 H new ATOM 262 N PHE A 20 -4.213 14.597 -4.799 1.00 0.00 N ATOM 263 CA PHE A 20 -4.283 15.822 -4.022 1.00 0.00 C ATOM 264 C PHE A 20 -5.250 15.672 -2.846 1.00 0.00 C ATOM 265 O PHE A 20 -6.439 15.425 -3.042 1.00 0.00 O ATOM 266 CB PHE A 20 -4.803 16.916 -4.957 1.00 0.00 C ATOM 267 CG PHE A 20 -3.748 17.465 -5.920 1.00 0.00 C ATOM 268 CD1 PHE A 20 -3.562 16.876 -7.132 1.00 0.00 C ATOM 269 CD2 PHE A 20 -2.996 18.540 -5.564 1.00 0.00 C ATOM 270 CE1 PHE A 20 -2.583 17.385 -8.025 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.017 19.049 -6.457 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.831 18.461 -7.670 1.00 0.00 C ATOM 0 H PHE A 20 -5.002 14.445 -5.427 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.299 16.063 -3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.637 16.519 -5.536 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.194 17.737 -4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.159 16.021 -7.415 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.143 19.007 -4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.435 16.917 -8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.420 19.903 -6.174 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.087 18.848 -8.350 1.00 0.00 H new ATOM 282 N LEU A 21 -4.703 15.826 -1.648 1.00 0.00 N ATOM 283 CA LEU A 21 -5.503 15.710 -0.441 1.00 0.00 C ATOM 284 C LEU A 21 -5.424 17.020 0.346 1.00 0.00 C ATOM 285 O LEU A 21 -4.386 17.680 0.357 1.00 0.00 O ATOM 286 CB LEU A 21 -5.078 14.481 0.367 1.00 0.00 C ATOM 287 CG LEU A 21 -5.065 13.152 -0.391 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.378 12.060 0.431 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.479 12.748 -0.812 1.00 0.00 C ATOM 0 H LEU A 21 -3.716 16.030 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.552 15.551 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.079 14.660 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.748 14.383 1.221 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.483 13.284 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.382 11.125 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.349 12.354 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.913 11.921 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.442 11.800 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.105 12.639 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.899 13.516 -1.461 1.00 0.00 H new ATOM 301 N ASP A 22 -6.535 17.357 0.984 1.00 0.00 N ATOM 302 CA ASP A 22 -6.604 18.577 1.771 1.00 0.00 C ATOM 303 C ASP A 22 -6.417 18.235 3.251 1.00 0.00 C ATOM 304 O ASP A 22 -7.358 17.808 3.917 1.00 0.00 O ATOM 305 CB ASP A 22 -7.965 19.258 1.612 1.00 0.00 C ATOM 306 CG ASP A 22 -7.911 20.698 1.097 1.00 0.00 C ATOM 307 OD1 ASP A 22 -6.887 21.360 1.369 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.896 21.104 0.443 1.00 0.00 O ATOM 0 H ASP A 22 -7.394 16.807 0.972 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.821 19.249 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.573 18.666 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.473 19.252 2.577 1.00 0.00 H new ATOM 313 N ILE A 23 -5.195 18.437 3.721 1.00 0.00 N ATOM 314 CA ILE A 23 -4.871 18.155 5.109 1.00 0.00 C ATOM 315 C ILE A 23 -5.180 19.389 5.960 1.00 0.00 C ATOM 316 O ILE A 23 -4.852 20.510 5.575 1.00 0.00 O ATOM 317 CB ILE A 23 -3.427 17.667 5.235 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.063 17.400 6.697 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.457 18.648 4.573 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.825 16.507 6.800 1.00 0.00 C ATOM 0 H ILE A 23 -4.417 18.793 3.165 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.491 17.342 5.487 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.340 16.719 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.878 18.345 7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.903 16.924 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.437 18.277 4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.702 18.744 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.540 19.622 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.588 16.333 7.850 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.022 15.554 6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.981 16.997 6.314 1.00 0.00 H new ATOM 332 N GLU A 24 -5.805 19.140 7.101 1.00 0.00 N ATOM 333 CA GLU A 24 -6.161 20.217 8.010 1.00 0.00 C ATOM 334 C GLU A 24 -4.927 20.692 8.779 1.00 0.00 C ATOM 335 O GLU A 24 -4.189 19.882 9.337 1.00 0.00 O ATOM 336 CB GLU A 24 -7.271 19.781 8.969 1.00 0.00 C ATOM 337 CG GLU A 24 -7.693 20.935 9.880 1.00 0.00 C ATOM 338 CD GLU A 24 -8.299 20.411 11.184 1.00 0.00 C ATOM 339 OE1 GLU A 24 -7.642 19.550 11.809 1.00 0.00 O ATOM 340 OE2 GLU A 24 -9.405 20.882 11.525 1.00 0.00 O ATOM 0 H GLU A 24 -6.074 18.208 7.417 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.542 21.052 7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.131 19.429 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.925 18.943 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.830 21.562 10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.419 21.563 9.364 1.00 0.00 H new ATOM 442 N PHE A 32 -7.760 23.496 5.590 1.00 0.00 N ATOM 443 CA PHE A 32 -7.121 22.448 4.812 1.00 0.00 C ATOM 444 C PHE A 32 -6.105 23.036 3.831 1.00 0.00 C ATOM 445 O PHE A 32 -6.446 23.893 3.018 1.00 0.00 O ATOM 446 CB PHE A 32 -8.224 21.741 4.023 1.00 0.00 C ATOM 447 CG PHE A 32 -9.395 21.262 4.884 1.00 0.00 C ATOM 448 CD1 PHE A 32 -10.455 22.084 5.109 1.00 0.00 C ATOM 449 CD2 PHE A 32 -9.377 20.013 5.423 1.00 0.00 C ATOM 450 CE1 PHE A 32 -11.541 21.640 5.908 1.00 0.00 C ATOM 451 CE2 PHE A 32 -10.464 19.569 6.222 1.00 0.00 C ATOM 452 CZ PHE A 32 -11.523 20.391 6.447 1.00 0.00 C ATOM 0 HA PHE A 32 -6.592 21.763 5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.602 22.420 3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.794 20.885 3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.470 23.075 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.536 19.359 5.243 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.382 22.294 6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.449 18.578 6.651 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.350 20.053 7.054 1.00 0.00 H new ATOM 462 N LEU A 33 -4.877 22.551 3.939 1.00 0.00 N ATOM 463 CA LEU A 33 -3.809 23.017 3.071 1.00 0.00 C ATOM 464 C LEU A 33 -3.685 22.077 1.871 1.00 0.00 C ATOM 465 O LEU A 33 -3.434 20.884 2.035 1.00 0.00 O ATOM 466 CB LEU A 33 -2.508 23.179 3.861 1.00 0.00 C ATOM 467 CG LEU A 33 -2.659 23.632 5.315 1.00 0.00 C ATOM 468 CD1 LEU A 33 -3.668 24.776 5.431 1.00 0.00 C ATOM 469 CD2 LEU A 33 -3.020 22.455 6.222 1.00 0.00 C ATOM 0 H LEU A 33 -4.598 21.840 4.615 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.043 24.007 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.979 22.226 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.877 23.899 3.340 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.697 24.016 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.756 25.079 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.328 25.623 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.640 24.443 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.121 22.805 7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.963 22.018 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.234 21.702 6.171 1.00 0.00 H new ATOM 481 N ARG A 34 -3.868 22.649 0.690 1.00 0.00 N ATOM 482 CA ARG A 34 -3.781 21.877 -0.538 1.00 0.00 C ATOM 483 C ARG A 34 -2.371 21.308 -0.708 1.00 0.00 C ATOM 484 O ARG A 34 -1.461 22.014 -1.139 1.00 0.00 O ATOM 485 CB ARG A 34 -4.127 22.737 -1.755 1.00 0.00 C ATOM 486 CG ARG A 34 -3.834 21.988 -3.056 1.00 0.00 C ATOM 487 CD ARG A 34 -2.827 22.756 -3.916 1.00 0.00 C ATOM 488 NE ARG A 34 -2.835 22.227 -5.298 1.00 0.00 N ATOM 489 CZ ARG A 34 -3.864 22.358 -6.147 1.00 0.00 C ATOM 490 NH1 ARG A 34 -4.975 23.000 -5.759 1.00 0.00 N ATOM 491 NH2 ARG A 34 -3.783 21.846 -7.382 1.00 0.00 N ATOM 0 H ARG A 34 -4.076 23.639 0.557 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.500 21.061 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.180 23.015 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.552 23.662 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.442 20.997 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.759 21.845 -3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.076 23.817 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.828 22.666 -3.489 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.006 21.732 -5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.037 23.389 -4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.758 23.100 -6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.938 21.356 -7.677 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.566 21.946 -8.028 1.00 0.00 H new ATOM 505 N ARG A 35 -2.234 20.037 -0.360 1.00 0.00 N ATOM 506 CA ARG A 35 -0.950 19.365 -0.469 1.00 0.00 C ATOM 507 C ARG A 35 -1.090 18.085 -1.295 1.00 0.00 C ATOM 508 O ARG A 35 -2.096 17.385 -1.197 1.00 0.00 O ATOM 509 CB ARG A 35 -0.393 19.015 0.912 1.00 0.00 C ATOM 510 CG ARG A 35 0.801 19.904 1.264 1.00 0.00 C ATOM 511 CD ARG A 35 0.430 21.385 1.164 1.00 0.00 C ATOM 512 NE ARG A 35 0.697 22.062 2.453 1.00 0.00 N ATOM 513 CZ ARG A 35 0.404 23.345 2.702 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.165 24.099 1.752 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.682 23.875 3.901 1.00 0.00 N ATOM 0 H ARG A 35 -2.991 19.455 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.259 20.047 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.173 19.134 1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.089 17.968 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.142 19.678 2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.631 19.687 0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.005 21.859 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.623 21.488 0.901 1.00 0.00 H new ATOM 0 HE ARG A 35 1.131 21.517 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.375 23.696 0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.388 25.076 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.117 23.301 4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.459 24.852 4.091 1.00 0.00 H new ATOM 529 N TYR A 36 -0.064 17.817 -2.090 1.00 0.00 N ATOM 530 CA TYR A 36 -0.059 16.634 -2.933 1.00 0.00 C ATOM 531 C TYR A 36 0.632 15.463 -2.230 1.00 0.00 C ATOM 532 O TYR A 36 1.858 15.365 -2.241 1.00 0.00 O ATOM 533 CB TYR A 36 0.741 17.008 -4.181 1.00 0.00 C ATOM 534 CG TYR A 36 0.535 16.056 -5.361 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.710 15.940 -5.944 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.594 15.314 -5.842 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.904 15.044 -7.055 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.400 14.418 -6.953 1.00 0.00 C ATOM 539 CZ TYR A 36 0.161 14.327 -7.504 1.00 0.00 C ATOM 540 OH TYR A 36 -0.023 13.481 -8.553 1.00 0.00 O ATOM 0 H TYR A 36 0.770 18.399 -2.168 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.078 16.326 -3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.464 18.016 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.801 17.032 -3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.539 16.521 -5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.569 15.405 -5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.873 14.944 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.221 13.832 -7.339 1.00 0.00 H new ATOM 0 HH TYR A 36 0.824 13.036 -8.767 1.00 0.00 H new ATOM 550 N PHE A 37 -0.184 14.605 -1.636 1.00 0.00 N ATOM 551 CA PHE A 37 0.334 13.446 -0.930 1.00 0.00 C ATOM 552 C PHE A 37 0.659 12.311 -1.903 1.00 0.00 C ATOM 553 O PHE A 37 -0.005 12.157 -2.927 1.00 0.00 O ATOM 554 CB PHE A 37 -0.763 12.980 0.029 1.00 0.00 C ATOM 555 CG PHE A 37 -0.931 13.870 1.263 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.171 15.200 1.113 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.841 13.331 2.508 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.326 16.026 2.258 1.00 0.00 C ATOM 559 CE2 PHE A 37 -0.997 14.157 3.652 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.236 15.487 3.503 1.00 0.00 C ATOM 0 H PHE A 37 -1.200 14.689 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 37 1.251 13.711 -0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.710 12.941 -0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.539 11.964 0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.244 15.628 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.651 12.275 2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.515 17.083 2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.926 13.729 4.641 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.354 16.115 4.373 1.00 0.00 H new ATOM 570 N ILE A 38 1.682 11.547 -1.550 1.00 0.00 N ATOM 571 CA ILE A 38 2.104 10.431 -2.380 1.00 0.00 C ATOM 572 C ILE A 38 2.546 9.273 -1.483 1.00 0.00 C ATOM 573 O ILE A 38 3.569 9.362 -0.807 1.00 0.00 O ATOM 574 CB ILE A 38 3.174 10.879 -3.377 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.556 11.696 -4.515 1.00 0.00 C ATOM 576 CG2 ILE A 38 3.974 9.684 -3.898 1.00 0.00 C ATOM 577 CD1 ILE A 38 3.640 12.269 -5.429 1.00 0.00 C ATOM 0 H ILE A 38 2.231 11.679 -0.701 1.00 0.00 H new ATOM 0 HA ILE A 38 1.271 10.069 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 38 3.874 11.532 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.882 11.066 -5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.957 12.508 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.728 10.031 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.463 9.182 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.302 8.986 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.174 12.845 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.298 12.917 -4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.221 11.454 -5.860 1.00 0.00 H new ATOM 589 N LEU A 39 1.752 8.212 -1.507 1.00 0.00 N ATOM 590 CA LEU A 39 2.048 7.038 -0.704 1.00 0.00 C ATOM 591 C LEU A 39 3.196 6.260 -1.351 1.00 0.00 C ATOM 592 O LEU A 39 3.002 5.586 -2.362 1.00 0.00 O ATOM 593 CB LEU A 39 0.784 6.203 -0.489 1.00 0.00 C ATOM 594 CG LEU A 39 0.774 5.308 0.752 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.756 6.146 2.032 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.387 4.314 0.701 1.00 0.00 C ATOM 0 H LEU A 39 0.904 8.141 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 39 2.381 7.331 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.069 6.879 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.634 5.575 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 39 1.696 4.726 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.749 5.486 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.643 6.779 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.137 6.771 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.371 3.690 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.330 4.858 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.288 3.684 -0.183 1.00 0.00 H new ATOM 608 N ASP A 40 4.366 6.379 -0.742 1.00 0.00 N ATOM 609 CA ASP A 40 5.545 5.696 -1.246 1.00 0.00 C ATOM 610 C ASP A 40 5.846 4.486 -0.360 1.00 0.00 C ATOM 611 O ASP A 40 6.165 4.638 0.819 1.00 0.00 O ATOM 612 CB ASP A 40 6.768 6.615 -1.221 1.00 0.00 C ATOM 613 CG ASP A 40 8.003 6.069 -1.940 1.00 0.00 C ATOM 614 OD1 ASP A 40 7.989 4.859 -2.251 1.00 0.00 O ATOM 615 OD2 ASP A 40 8.932 6.875 -2.163 1.00 0.00 O ATOM 0 H ASP A 40 4.523 6.938 0.096 1.00 0.00 H new ATOM 0 HA ASP A 40 5.344 5.391 -2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.496 7.569 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.031 6.817 -0.183 1.00 0.00 H new ATOM 620 N THR A 41 5.733 3.310 -0.960 1.00 0.00 N ATOM 621 CA THR A 41 5.989 2.074 -0.240 1.00 0.00 C ATOM 622 C THR A 41 7.492 1.801 -0.167 1.00 0.00 C ATOM 623 O THR A 41 7.942 0.995 0.647 1.00 0.00 O ATOM 624 CB THR A 41 5.201 0.956 -0.925 1.00 0.00 C ATOM 625 OG1 THR A 41 5.891 0.747 -2.154 1.00 0.00 O ATOM 626 CG2 THR A 41 3.802 1.404 -1.355 1.00 0.00 C ATOM 0 H THR A 41 5.467 3.187 -1.937 1.00 0.00 H new ATOM 0 HA THR A 41 5.652 2.142 0.794 1.00 0.00 H new ATOM 0 HB THR A 41 5.118 0.105 -0.249 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.447 0.036 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.286 0.573 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.237 1.724 -0.479 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.885 2.234 -2.057 1.00 0.00 H new ATOM 634 N GLN A 42 8.229 2.487 -1.028 1.00 0.00 N ATOM 635 CA GLN A 42 9.673 2.328 -1.071 1.00 0.00 C ATOM 636 C GLN A 42 10.334 3.191 0.006 1.00 0.00 C ATOM 637 O GLN A 42 11.316 2.778 0.621 1.00 0.00 O ATOM 638 CB GLN A 42 10.220 2.668 -2.459 1.00 0.00 C ATOM 639 CG GLN A 42 9.363 2.035 -3.557 1.00 0.00 C ATOM 640 CD GLN A 42 10.209 1.699 -4.787 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.178 0.960 -4.723 1.00 0.00 O ATOM 642 NE2 GLN A 42 9.789 2.281 -5.907 1.00 0.00 N ATOM 0 H GLN A 42 7.853 3.154 -1.702 1.00 0.00 H new ATOM 0 HA GLN A 42 9.911 1.284 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.243 3.750 -2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.247 2.314 -2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.890 1.129 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.562 2.719 -3.838 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.970 2.889 -5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.286 2.120 -6.783 1.00 0.00 H new ATOM 651 N ALA A 43 9.769 4.374 0.200 1.00 0.00 N ATOM 652 CA ALA A 43 10.292 5.298 1.192 1.00 0.00 C ATOM 653 C ALA A 43 9.773 4.902 2.576 1.00 0.00 C ATOM 654 O ALA A 43 10.349 5.287 3.592 1.00 0.00 O ATOM 655 CB ALA A 43 9.904 6.729 0.811 1.00 0.00 C ATOM 0 H ALA A 43 8.955 4.713 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 43 11.381 5.252 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.296 7.423 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.321 6.971 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.818 6.814 0.773 1.00 0.00 H new ATOM 661 N ASN A 44 8.691 4.138 2.570 1.00 0.00 N ATOM 662 CA ASN A 44 8.088 3.685 3.812 1.00 0.00 C ATOM 663 C ASN A 44 7.640 4.899 4.629 1.00 0.00 C ATOM 664 O ASN A 44 7.423 4.794 5.835 1.00 0.00 O ATOM 665 CB ASN A 44 9.090 2.893 4.654 1.00 0.00 C ATOM 666 CG ASN A 44 8.406 2.255 5.865 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.621 1.328 5.751 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.746 2.803 7.028 1.00 0.00 N ATOM 0 H ASN A 44 8.216 3.821 1.725 1.00 0.00 H new ATOM 0 HA ASN A 44 7.242 3.045 3.562 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.552 2.118 4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.890 3.553 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.343 2.449 7.896 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.410 3.577 7.052 1.00 0.00 H new ATOM 675 N CYS A 45 7.516 6.023 3.938 1.00 0.00 N ATOM 676 CA CYS A 45 7.098 7.255 4.585 1.00 0.00 C ATOM 677 C CYS A 45 6.188 8.019 3.620 1.00 0.00 C ATOM 678 O CYS A 45 6.288 7.854 2.405 1.00 0.00 O ATOM 679 CB CYS A 45 8.296 8.097 5.026 1.00 0.00 C ATOM 680 SG CYS A 45 9.517 7.043 5.891 1.00 0.00 S ATOM 0 H CYS A 45 7.697 6.106 2.938 1.00 0.00 H new ATOM 0 HA CYS A 45 6.547 7.022 5.496 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.759 8.568 4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.964 8.899 5.685 1.00 0.00 H new ATOM 0 HG CYS A 45 9.922 6.102 5.091 1.00 0.00 H new ATOM 686 N LEU A 46 5.322 8.838 4.197 1.00 0.00 N ATOM 687 CA LEU A 46 4.395 9.628 3.404 1.00 0.00 C ATOM 688 C LEU A 46 4.991 11.016 3.163 1.00 0.00 C ATOM 689 O LEU A 46 5.374 11.704 4.109 1.00 0.00 O ATOM 690 CB LEU A 46 3.015 9.657 4.063 1.00 0.00 C ATOM 691 CG LEU A 46 1.880 10.238 3.218 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.254 11.616 2.670 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.474 9.269 2.105 1.00 0.00 C ATOM 0 H LEU A 46 5.242 8.972 5.205 1.00 0.00 H new ATOM 0 HA LEU A 46 4.245 9.171 2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.747 8.639 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.087 10.234 4.985 1.00 0.00 H new ATOM 0 HG LEU A 46 1.010 10.373 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.430 12.006 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.455 12.295 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.144 11.530 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.665 9.706 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.330 9.079 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.137 8.330 2.545 1.00 0.00 H new ATOM 705 N LEU A 47 5.051 11.388 1.893 1.00 0.00 N ATOM 706 CA LEU A 47 5.594 12.682 1.516 1.00 0.00 C ATOM 707 C LEU A 47 4.553 13.448 0.697 1.00 0.00 C ATOM 708 O LEU A 47 4.102 12.970 -0.342 1.00 0.00 O ATOM 709 CB LEU A 47 6.936 12.512 0.802 1.00 0.00 C ATOM 710 CG LEU A 47 7.973 11.644 1.518 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.974 11.054 0.524 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.667 12.428 2.634 1.00 0.00 C ATOM 0 H LEU A 47 4.732 10.815 1.111 1.00 0.00 H new ATOM 0 HA LEU A 47 5.805 13.280 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.749 12.082 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.367 13.500 0.642 1.00 0.00 H new ATOM 0 HG LEU A 47 7.454 10.808 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.700 10.442 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.445 10.438 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.492 11.862 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.399 11.788 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.171 13.296 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.926 12.759 3.362 1.00 0.00 H new ATOM 724 N TRP A 48 4.203 14.624 1.196 1.00 0.00 N ATOM 725 CA TRP A 48 3.224 15.461 0.524 1.00 0.00 C ATOM 726 C TRP A 48 3.922 16.752 0.092 1.00 0.00 C ATOM 727 O TRP A 48 4.621 17.379 0.887 1.00 0.00 O ATOM 728 CB TRP A 48 2.008 15.709 1.418 1.00 0.00 C ATOM 729 CG TRP A 48 2.331 16.449 2.717 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.637 17.745 2.875 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.370 15.882 4.044 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.868 18.052 4.200 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.701 16.883 4.934 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.133 14.565 4.477 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.824 16.674 6.312 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.261 14.372 5.858 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.593 15.370 6.767 1.00 0.00 C ATOM 0 H TRP A 48 4.580 15.017 2.058 1.00 0.00 H new ATOM 0 HA TRP A 48 2.835 14.962 -0.364 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.270 16.284 0.859 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.548 14.751 1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.695 18.459 2.067 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.116 18.969 4.573 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.873 13.766 3.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.083 17.475 6.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.090 13.378 6.244 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.672 15.141 7.819 1.00 0.00 H new ATOM 748 N TYR A 49 3.708 17.111 -1.165 1.00 0.00 N ATOM 749 CA TYR A 49 4.309 18.316 -1.711 1.00 0.00 C ATOM 750 C TYR A 49 3.234 19.309 -2.161 1.00 0.00 C ATOM 751 O TYR A 49 2.174 18.907 -2.637 1.00 0.00 O ATOM 752 CB TYR A 49 5.115 17.869 -2.932 1.00 0.00 C ATOM 753 CG TYR A 49 5.838 16.533 -2.746 1.00 0.00 C ATOM 754 CD1 TYR A 49 7.102 16.504 -2.194 1.00 0.00 C ATOM 755 CD2 TYR A 49 5.224 15.358 -3.129 1.00 0.00 C ATOM 756 CE1 TYR A 49 7.782 15.247 -2.019 1.00 0.00 C ATOM 757 CE2 TYR A 49 5.904 14.101 -2.954 1.00 0.00 C ATOM 758 CZ TYR A 49 7.149 14.107 -2.407 1.00 0.00 C ATOM 759 OH TYR A 49 7.792 12.920 -2.242 1.00 0.00 O ATOM 0 H TYR A 49 3.127 16.589 -1.821 1.00 0.00 H new ATOM 0 HA TYR A 49 4.926 18.811 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.445 17.792 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.850 18.638 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.581 17.424 -1.893 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.234 15.381 -3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.772 15.210 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.436 13.174 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 49 7.220 12.191 -2.562 1.00 0.00 H new ATOM 769 N MET A 50 3.546 20.585 -1.992 1.00 0.00 N ATOM 770 CA MET A 50 2.620 21.638 -2.374 1.00 0.00 C ATOM 771 C MET A 50 2.011 21.360 -3.749 1.00 0.00 C ATOM 772 O MET A 50 0.871 21.739 -4.015 1.00 0.00 O ATOM 773 CB MET A 50 3.356 22.979 -2.403 1.00 0.00 C ATOM 774 CG MET A 50 3.680 23.458 -0.987 1.00 0.00 C ATOM 775 SD MET A 50 3.275 25.189 -0.820 1.00 0.00 S ATOM 776 CE MET A 50 2.143 25.112 0.557 1.00 0.00 C ATOM 0 H MET A 50 4.427 20.914 -1.596 1.00 0.00 H new ATOM 0 HA MET A 50 1.814 21.671 -1.641 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.277 22.880 -2.977 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.743 23.723 -2.911 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.118 22.873 -0.259 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.738 23.301 -0.774 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.174 26.053 1.106 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.132 24.940 0.188 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.431 24.296 1.220 1.00 0.00 H new ATOM 786 N ASP A 51 2.797 20.700 -4.587 1.00 0.00 N ATOM 787 CA ASP A 51 2.349 20.367 -5.928 1.00 0.00 C ATOM 788 C ASP A 51 3.088 19.118 -6.413 1.00 0.00 C ATOM 789 O ASP A 51 4.038 18.668 -5.775 1.00 0.00 O ATOM 790 CB ASP A 51 2.648 21.504 -6.908 1.00 0.00 C ATOM 791 CG ASP A 51 1.453 22.396 -7.249 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.444 22.296 -6.518 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.576 23.157 -8.233 1.00 0.00 O ATOM 0 H ASP A 51 3.742 20.387 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 51 1.273 20.197 -5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.438 22.126 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.037 21.075 -7.831 1.00 0.00 H new ATOM 936 N VAL A 63 6.814 19.603 2.185 1.00 0.00 N ATOM 937 CA VAL A 63 6.491 20.522 3.263 1.00 0.00 C ATOM 938 C VAL A 63 6.360 19.740 4.572 1.00 0.00 C ATOM 939 O VAL A 63 6.536 20.299 5.653 1.00 0.00 O ATOM 940 CB VAL A 63 5.231 21.317 2.913 1.00 0.00 C ATOM 941 CG1 VAL A 63 5.465 22.202 1.688 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.037 20.385 2.697 1.00 0.00 C ATOM 0 HA VAL A 63 7.291 21.250 3.397 1.00 0.00 H new ATOM 0 HB VAL A 63 4.999 21.967 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.554 22.756 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.274 22.902 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.733 21.579 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.155 20.975 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.255 19.698 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.850 19.817 3.608 1.00 0.00 H new ATOM 952 N GLY A 64 6.053 18.459 4.430 1.00 0.00 N ATOM 953 CA GLY A 64 5.896 17.594 5.588 1.00 0.00 C ATOM 954 C GLY A 64 5.959 16.120 5.183 1.00 0.00 C ATOM 955 O GLY A 64 5.751 15.782 4.019 1.00 0.00 O ATOM 0 H GLY A 64 5.909 17.999 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.679 17.809 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.943 17.801 6.075 1.00 0.00 H new ATOM 959 N SER A 65 6.248 15.282 6.168 1.00 0.00 N ATOM 960 CA SER A 65 6.341 13.851 5.930 1.00 0.00 C ATOM 961 C SER A 65 5.605 13.088 7.033 1.00 0.00 C ATOM 962 O SER A 65 5.252 13.663 8.061 1.00 0.00 O ATOM 963 CB SER A 65 7.801 13.399 5.854 1.00 0.00 C ATOM 964 OG SER A 65 8.538 13.781 7.013 1.00 0.00 O ATOM 0 H SER A 65 6.421 15.566 7.132 1.00 0.00 H new ATOM 0 HA SER A 65 5.871 13.632 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.840 12.316 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.268 13.830 4.969 1.00 0.00 H new ATOM 0 HG SER A 65 9.464 13.473 6.928 1.00 0.00 H new ATOM 970 N LEU A 66 5.396 11.804 6.781 1.00 0.00 N ATOM 971 CA LEU A 66 4.709 10.956 7.740 1.00 0.00 C ATOM 972 C LEU A 66 5.261 9.532 7.643 1.00 0.00 C ATOM 973 O LEU A 66 4.896 8.781 6.741 1.00 0.00 O ATOM 974 CB LEU A 66 3.194 11.042 7.543 1.00 0.00 C ATOM 975 CG LEU A 66 2.404 11.685 8.685 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.915 11.765 8.344 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.652 10.951 10.004 1.00 0.00 C ATOM 0 H LEU A 66 5.690 11.331 5.927 1.00 0.00 H new ATOM 0 HA LEU A 66 4.896 11.303 8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.998 11.605 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.810 10.034 7.385 1.00 0.00 H new ATOM 0 HG LEU A 66 2.760 12.707 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.376 12.226 9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.780 12.365 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.527 10.761 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.079 11.428 10.799 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.340 9.911 9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.714 10.990 10.248 1.00 0.00 H new ATOM 989 N GLN A 67 6.133 9.205 8.586 1.00 0.00 N ATOM 990 CA GLN A 67 6.740 7.885 8.618 1.00 0.00 C ATOM 991 C GLN A 67 5.673 6.816 8.864 1.00 0.00 C ATOM 992 O GLN A 67 5.004 6.828 9.896 1.00 0.00 O ATOM 993 CB GLN A 67 7.842 7.814 9.677 1.00 0.00 C ATOM 994 CG GLN A 67 8.828 8.973 9.520 1.00 0.00 C ATOM 995 CD GLN A 67 10.090 8.523 8.780 1.00 0.00 C ATOM 996 OE1 GLN A 67 10.582 7.420 8.952 1.00 0.00 O ATOM 997 NE2 GLN A 67 10.583 9.435 7.948 1.00 0.00 N ATOM 0 H GLN A 67 6.433 9.831 9.333 1.00 0.00 H new ATOM 0 HA GLN A 67 7.200 7.694 7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.398 7.842 10.672 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.373 6.866 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.353 9.788 8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.097 9.362 10.502 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.122 10.340 7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.423 9.230 7.406 1.00 0.00 H new ATOM 1006 N LEU A 68 5.547 5.918 7.898 1.00 0.00 N ATOM 1007 CA LEU A 68 4.572 4.845 7.998 1.00 0.00 C ATOM 1008 C LEU A 68 4.676 4.194 9.378 1.00 0.00 C ATOM 1009 O LEU A 68 3.684 3.695 9.909 1.00 0.00 O ATOM 1010 CB LEU A 68 4.741 3.859 6.839 1.00 0.00 C ATOM 1011 CG LEU A 68 4.486 4.420 5.439 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.448 3.300 4.398 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.214 5.270 5.412 1.00 0.00 C ATOM 0 H LEU A 68 6.103 5.911 7.043 1.00 0.00 H new ATOM 0 HA LEU A 68 3.560 5.240 7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.756 3.462 6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.065 3.019 7.001 1.00 0.00 H new ATOM 0 HG LEU A 68 5.317 5.075 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.265 3.726 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.403 2.774 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.649 2.601 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.056 5.657 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.361 4.657 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.318 6.102 6.108 1.00 0.00 H new ATOM 1025 N THR A 69 5.884 4.220 9.921 1.00 0.00 N ATOM 1026 CA THR A 69 6.130 3.639 11.230 1.00 0.00 C ATOM 1027 C THR A 69 5.160 4.218 12.261 1.00 0.00 C ATOM 1028 O THR A 69 4.806 3.550 13.231 1.00 0.00 O ATOM 1029 CB THR A 69 7.600 3.871 11.582 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.718 3.387 12.917 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.949 5.356 11.691 1.00 0.00 C ATOM 0 H THR A 69 6.704 4.635 9.478 1.00 0.00 H new ATOM 0 HA THR A 69 5.948 2.564 11.226 1.00 0.00 H new ATOM 0 HB THR A 69 8.232 3.405 10.826 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.642 3.498 13.225 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.004 5.464 11.943 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.751 5.847 10.738 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.341 5.816 12.470 1.00 0.00 H new ATOM 1039 N TYR A 70 4.756 5.456 12.016 1.00 0.00 N ATOM 1040 CA TYR A 70 3.834 6.134 12.912 1.00 0.00 C ATOM 1041 C TYR A 70 2.405 5.620 12.719 1.00 0.00 C ATOM 1042 O TYR A 70 1.806 5.079 13.646 1.00 0.00 O ATOM 1043 CB TYR A 70 3.887 7.615 12.531 1.00 0.00 C ATOM 1044 CG TYR A 70 5.246 8.272 12.777 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.949 7.992 13.931 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.769 9.146 11.845 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.228 8.611 14.163 1.00 0.00 C ATOM 1048 CE2 TYR A 70 7.048 9.765 12.077 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.715 9.467 13.224 1.00 0.00 C ATOM 1050 OH TYR A 70 8.923 10.052 13.443 1.00 0.00 O ATOM 0 H TYR A 70 5.050 6.007 11.210 1.00 0.00 H new ATOM 0 HA TYR A 70 4.111 5.960 13.952 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.631 7.718 11.477 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.127 8.153 13.098 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.540 7.308 14.660 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.219 9.365 10.942 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.788 8.401 15.062 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.468 10.451 11.356 1.00 0.00 H new ATOM 0 HH TYR A 70 9.145 10.637 12.689 1.00 0.00 H new ATOM 1060 N ILE A 71 1.902 5.809 11.508 1.00 0.00 N ATOM 1061 CA ILE A 71 0.555 5.372 11.181 1.00 0.00 C ATOM 1062 C ILE A 71 0.312 3.987 11.785 1.00 0.00 C ATOM 1063 O ILE A 71 1.201 3.137 11.774 1.00 0.00 O ATOM 1064 CB ILE A 71 0.324 5.433 9.670 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.434 6.869 9.156 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.013 4.790 9.293 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.716 7.064 8.342 1.00 0.00 C ATOM 0 H ILE A 71 2.403 6.259 10.741 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.181 6.045 11.620 1.00 0.00 H new ATOM 0 HB ILE A 71 1.108 4.855 9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.433 7.105 8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.424 7.562 9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.152 4.847 8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.015 3.746 9.605 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.825 5.319 9.792 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.769 8.094 7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.581 6.850 8.969 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.711 6.387 7.488 1.00 0.00 H new ATOM 1079 N SER A 72 -0.895 3.804 12.298 1.00 0.00 N ATOM 1080 CA SER A 72 -1.266 2.537 12.905 1.00 0.00 C ATOM 1081 C SER A 72 -2.511 1.972 12.218 1.00 0.00 C ATOM 1082 O SER A 72 -2.577 0.777 11.932 1.00 0.00 O ATOM 1083 CB SER A 72 -1.515 2.698 14.406 1.00 0.00 C ATOM 1084 OG SER A 72 -0.300 2.722 15.149 1.00 0.00 O ATOM 0 H SER A 72 -1.629 4.512 12.306 1.00 0.00 H new ATOM 0 HA SER A 72 -0.439 1.840 12.774 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.068 3.620 14.585 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.140 1.878 14.760 1.00 0.00 H new ATOM 0 HG SER A 72 -0.501 2.828 16.102 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.466 2.856 11.973 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.705 2.461 11.325 1.00 0.00 C ATOM 1092 C LYS A 73 -5.240 3.632 10.499 1.00 0.00 C ATOM 1093 O LYS A 73 -5.041 4.791 10.857 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.702 1.929 12.356 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.129 1.958 11.804 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.973 0.832 12.406 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.583 1.259 13.743 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.145 0.350 14.825 1.00 0.00 N ATOM 0 H LYS A 73 -3.407 3.846 12.212 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.527 1.638 10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.436 0.909 12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.647 2.530 13.264 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.589 2.921 12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.105 1.859 10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.767 0.556 11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.354 -0.054 12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.285 2.281 13.976 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.671 1.252 13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.568 0.653 15.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.451 -0.620 14.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.108 0.377 14.903 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.908 3.288 9.408 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.474 4.296 8.528 1.00 0.00 C ATOM 1114 C VAL A 74 -7.957 3.996 8.301 1.00 0.00 C ATOM 1115 O VAL A 74 -8.305 3.165 7.464 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.672 4.363 7.226 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.199 5.472 6.314 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.180 4.549 7.510 1.00 0.00 C ATOM 0 H VAL A 74 -6.070 2.325 9.113 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.409 5.283 8.987 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.798 3.414 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.612 5.498 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.244 5.278 6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.118 6.432 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.633 4.593 6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.028 5.476 8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.815 3.710 8.102 1.00 0.00 H new ATOM 1128 N SER A 75 -8.791 4.689 9.063 1.00 0.00 N ATOM 1129 CA SER A 75 -10.228 4.508 8.956 1.00 0.00 C ATOM 1130 C SER A 75 -10.882 5.795 8.449 1.00 0.00 C ATOM 1131 O SER A 75 -10.261 6.856 8.460 1.00 0.00 O ATOM 1132 CB SER A 75 -10.833 4.099 10.301 1.00 0.00 C ATOM 1133 OG SER A 75 -12.256 4.039 10.250 1.00 0.00 O ATOM 0 H SER A 75 -8.498 5.377 9.757 1.00 0.00 H new ATOM 0 HA SER A 75 -10.419 3.706 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.439 3.126 10.595 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.527 4.811 11.068 1.00 0.00 H new ATOM 0 HG SER A 75 -12.604 3.773 11.127 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.127 5.657 8.017 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.872 6.796 7.506 1.00 0.00 C ATOM 1141 C ILE A 76 -13.304 7.683 8.676 1.00 0.00 C ATOM 1142 O ILE A 76 -13.838 7.190 9.669 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.033 6.326 6.628 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.549 5.354 5.551 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.785 7.517 6.030 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.344 5.925 4.799 1.00 0.00 C ATOM 0 H ILE A 76 -12.639 4.775 8.010 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.241 7.406 6.859 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.738 5.783 7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.279 4.403 6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.358 5.151 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.605 7.155 5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.183 8.137 6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.103 8.109 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.019 5.214 4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.625 6.864 4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.529 6.104 5.500 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.057 8.975 8.520 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.414 9.935 9.551 1.00 0.00 C ATOM 1160 C ALA A 77 -14.936 9.967 9.706 1.00 0.00 C ATOM 1161 O ALA A 77 -15.663 10.047 8.717 1.00 0.00 O ATOM 1162 CB ALA A 77 -12.835 11.306 9.195 1.00 0.00 C ATOM 0 H ALA A 77 -12.614 9.380 7.695 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.991 9.642 10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.103 12.026 9.968 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.750 11.236 9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.240 11.634 8.238 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.152 11.904 1.743 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.948 11.125 1.508 1.00 0.00 C ATOM 1323 C PHE A 87 -13.759 11.707 2.275 1.00 0.00 C ATOM 1324 O PHE A 87 -12.894 12.355 1.687 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.656 11.195 0.008 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.902 11.386 -0.860 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.759 10.349 -1.058 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.152 12.593 -1.434 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.915 10.526 -1.863 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.307 12.771 -2.240 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.165 11.733 -2.437 1.00 0.00 C ATOM 0 HA PHE A 87 -15.097 10.100 1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.966 12.017 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.150 10.279 -0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.560 9.390 -0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.472 13.417 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.596 9.702 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.505 13.730 -2.697 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.044 11.868 -3.049 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.755 11.456 3.576 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.686 11.948 4.429 1.00 0.00 C ATOM 1343 C CYS A 88 -12.192 10.788 5.296 1.00 0.00 C ATOM 1344 O CYS A 88 -12.987 10.117 5.952 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.140 13.140 5.274 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.461 14.692 4.581 1.00 0.00 S ATOM 0 H CYS A 88 -14.474 10.919 4.060 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.865 12.315 3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.229 13.187 5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.806 13.015 6.304 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.176 14.729 4.777 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.883 10.588 5.271 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.273 9.522 6.047 1.00 0.00 C ATOM 1354 C PHE A 89 -9.332 10.088 7.113 1.00 0.00 C ATOM 1355 O PHE A 89 -8.687 11.112 6.895 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.464 8.665 5.072 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.256 9.384 4.467 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.076 9.417 5.142 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.363 9.991 3.254 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -5.955 10.084 4.580 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.243 10.658 2.693 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.062 10.691 3.368 1.00 0.00 C ATOM 0 H PHE A 89 -10.227 11.147 4.725 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.045 8.943 6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.119 7.770 5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.118 8.334 4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.991 8.936 6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.300 9.965 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.017 10.109 5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.328 11.140 1.730 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.210 11.199 2.941 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.285 9.396 8.242 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.433 9.816 9.342 1.00 0.00 C ATOM 1374 C VAL A 90 -7.290 8.813 9.509 1.00 0.00 C ATOM 1375 O VAL A 90 -7.529 7.625 9.720 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.268 9.990 10.613 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.406 9.805 11.863 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -9.970 11.349 10.626 1.00 0.00 C ATOM 0 H VAL A 90 -9.823 8.548 8.419 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.984 10.786 9.129 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.037 9.217 10.619 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.023 9.934 12.753 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.974 8.804 11.862 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.606 10.545 11.866 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.556 11.447 11.540 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.225 12.144 10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.630 11.426 9.762 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.074 9.328 9.409 1.00 0.00 N ATOM 1389 CA ILE A 91 -4.893 8.492 9.546 1.00 0.00 C ATOM 1390 C ILE A 91 -4.551 8.340 11.030 1.00 0.00 C ATOM 1391 O ILE A 91 -4.031 9.267 11.648 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.743 9.047 8.703 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -3.941 8.718 7.222 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.393 8.551 9.225 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -2.945 9.488 6.352 1.00 0.00 C ATOM 0 H ILE A 91 -5.880 10.314 9.235 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.087 7.492 9.159 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.745 10.133 8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.816 7.647 7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.959 8.967 6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.592 8.960 8.609 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.260 8.877 10.256 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.364 7.462 9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.107 9.236 5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.089 10.559 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.928 9.218 6.637 1.00 0.00 H new ATOM 1407 N ASN A 92 -4.858 7.164 11.558 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.589 6.879 12.957 1.00 0.00 C ATOM 1409 C ASN A 92 -3.112 6.521 13.125 1.00 0.00 C ATOM 1410 O ASN A 92 -2.619 5.588 12.491 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.423 5.694 13.447 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.156 6.038 14.745 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.568 6.464 15.726 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.468 5.830 14.696 1.00 0.00 N ATOM 0 H ASN A 92 -5.290 6.398 11.042 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.846 7.765 13.538 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.145 5.412 12.681 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.776 4.832 13.608 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.047 6.029 15.512 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.896 5.472 13.842 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.445 7.280 13.983 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.034 7.053 14.243 1.00 0.00 C ATOM 1423 C ALA A 93 -0.819 6.874 15.747 1.00 0.00 C ATOM 1424 O ALA A 93 -1.702 6.387 16.450 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.217 8.214 13.671 1.00 0.00 C ATOM 0 H ALA A 93 -2.856 8.053 14.507 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.695 6.141 13.751 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.842 8.044 13.866 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.382 8.280 12.596 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.528 9.146 14.144 1.00 0.00 H new ATOM 1431 N LEU A 94 0.361 7.278 16.196 1.00 0.00 N ATOM 1432 CA LEU A 94 0.703 7.169 17.604 1.00 0.00 C ATOM 1433 C LEU A 94 -0.521 7.523 18.451 1.00 0.00 C ATOM 1434 O LEU A 94 -1.192 6.638 18.980 1.00 0.00 O ATOM 1435 CB LEU A 94 1.937 8.015 17.922 1.00 0.00 C ATOM 1436 CG LEU A 94 3.008 8.076 16.831 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.137 6.732 16.113 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.733 9.223 15.857 1.00 0.00 C ATOM 0 H LEU A 94 1.092 7.681 15.609 1.00 0.00 H new ATOM 0 HA LEU A 94 0.976 6.143 17.852 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.610 9.032 18.139 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.395 7.626 18.832 1.00 0.00 H new ATOM 0 HG LEU A 94 3.968 8.280 17.306 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.905 6.803 15.343 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.414 5.961 16.832 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.184 6.473 15.652 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.509 9.244 15.092 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.762 9.075 15.385 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.732 10.169 16.399 1.00 0.00 H new ATOM 1450 N SER A 95 -0.775 8.820 18.553 1.00 0.00 N ATOM 1451 CA SER A 95 -1.906 9.302 19.327 1.00 0.00 C ATOM 1452 C SER A 95 -2.446 10.596 18.714 1.00 0.00 C ATOM 1453 O SER A 95 -2.839 11.512 19.435 1.00 0.00 O ATOM 1454 CB SER A 95 -1.516 9.530 20.789 1.00 0.00 C ATOM 1455 OG SER A 95 -1.187 8.311 21.450 1.00 0.00 O ATOM 0 H SER A 95 -0.217 9.551 18.112 1.00 0.00 H new ATOM 0 HA SER A 95 -2.687 8.542 19.302 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.664 10.209 20.835 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.340 10.015 21.312 1.00 0.00 H new ATOM 0 HG SER A 95 -0.942 8.499 22.380 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.448 10.629 17.389 1.00 0.00 N ATOM 1462 CA GLN A 96 -2.933 11.796 16.671 1.00 0.00 C ATOM 1463 C GLN A 96 -3.837 11.368 15.514 1.00 0.00 C ATOM 1464 O GLN A 96 -3.776 10.225 15.063 1.00 0.00 O ATOM 1465 CB GLN A 96 -1.770 12.654 16.170 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.231 13.616 15.074 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.073 14.488 14.586 1.00 0.00 C ATOM 1468 OE1 GLN A 96 0.071 14.322 14.978 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.431 15.425 13.713 1.00 0.00 N ATOM 0 H GLN A 96 -2.122 9.867 16.794 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.520 12.405 17.359 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.346 13.219 17.000 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.978 12.011 15.785 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.642 13.050 14.238 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.032 14.249 15.455 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.406 15.510 13.427 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.730 16.059 13.329 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.656 12.308 15.065 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.571 12.043 13.968 1.00 0.00 C ATOM 1480 C ARG A 97 -5.425 13.113 12.884 1.00 0.00 C ATOM 1481 O ARG A 97 -5.726 14.282 13.116 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.021 12.016 14.456 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.506 13.422 14.814 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.656 13.366 15.821 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.366 14.252 16.971 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.296 14.713 17.818 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.582 14.374 17.649 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -8.941 15.512 18.833 1.00 0.00 N ATOM 0 H ARG A 97 -4.705 13.255 15.441 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.320 11.066 13.555 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.661 11.593 13.682 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.103 11.366 15.327 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.681 14.000 15.231 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.833 13.938 13.912 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.586 13.672 15.341 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.798 12.342 16.167 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.397 14.529 17.128 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.852 13.766 16.876 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.291 14.724 18.293 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.962 15.770 18.961 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.649 15.863 19.478 1.00 0.00 H new ATOM 1502 N TYR A 98 -4.962 12.673 11.723 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.772 13.578 10.602 1.00 0.00 C ATOM 1504 C TYR A 98 -6.011 13.608 9.706 1.00 0.00 C ATOM 1505 O TYR A 98 -6.365 12.601 9.096 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.593 13.019 9.803 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.252 13.099 10.535 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.051 12.371 11.690 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.242 13.900 10.040 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.788 12.447 12.379 1.00 0.00 C ATOM 1511 CE2 TYR A 98 0.020 13.975 10.728 1.00 0.00 C ATOM 1512 CZ TYR A 98 0.185 13.245 11.864 1.00 0.00 C ATOM 1513 OH TYR A 98 1.377 13.317 12.514 1.00 0.00 O ATOM 0 H TYR A 98 -4.713 11.702 11.534 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.593 14.594 10.955 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.798 11.978 9.553 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.515 13.563 8.862 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.841 11.744 12.077 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.399 14.470 9.136 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.618 11.883 13.284 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.818 14.597 10.351 1.00 0.00 H new ATOM 0 HH TYR A 98 1.233 13.647 13.425 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.637 14.775 9.654 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.829 14.950 8.842 1.00 0.00 C ATOM 1525 C PHE A 99 -7.468 15.417 7.431 1.00 0.00 C ATOM 1526 O PHE A 99 -6.940 16.514 7.252 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.678 16.027 9.521 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.350 15.565 10.815 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -9.893 14.320 10.893 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.405 16.399 11.888 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.517 13.892 12.095 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.029 15.970 13.090 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.571 14.726 13.168 1.00 0.00 C ATOM 0 H PHE A 99 -6.341 15.609 10.161 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.363 14.004 8.757 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.047 16.889 9.739 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.446 16.362 8.824 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.850 13.657 10.041 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.974 17.387 11.826 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.949 12.904 12.157 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.073 16.632 13.942 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.045 14.400 14.082 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.766 14.561 6.464 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.479 14.872 5.074 1.00 0.00 C ATOM 1545 C LEU A 100 -8.771 14.780 4.259 1.00 0.00 C ATOM 1546 O LEU A 100 -9.679 14.029 4.610 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.354 13.980 4.547 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.120 13.857 5.443 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.320 12.774 6.505 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.859 13.617 4.610 1.00 0.00 C ATOM 0 H LEU A 100 -8.203 13.652 6.616 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.114 15.895 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.757 12.981 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.037 14.363 3.577 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.984 14.802 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.428 12.707 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.179 13.028 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.495 11.815 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.997 13.533 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.970 12.695 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.711 14.452 3.925 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.811 15.554 3.184 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.976 15.569 2.316 1.00 0.00 C ATOM 1564 C GLN A 101 -9.580 15.179 0.890 1.00 0.00 C ATOM 1565 O GLN A 101 -8.613 15.708 0.344 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.660 16.937 2.340 1.00 0.00 C ATOM 1567 CG GLN A 101 -12.088 16.845 1.799 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.739 18.229 1.730 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.176 19.183 1.221 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.953 18.283 2.271 1.00 0.00 N ATOM 0 H GLN A 101 -8.055 16.175 2.895 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.691 14.835 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.678 17.321 3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.086 17.645 1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.076 16.395 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.682 16.192 2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.366 17.445 2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.471 19.162 2.276 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.347 14.256 0.329 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.089 13.789 -1.023 1.00 0.00 C ATOM 1581 C ALA A 102 -10.953 14.581 -2.006 1.00 0.00 C ATOM 1582 O ALA A 102 -11.664 15.503 -1.609 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.348 12.283 -1.101 1.00 0.00 C ATOM 0 H ALA A 102 -11.147 13.819 0.786 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.046 13.955 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.155 11.933 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.688 11.764 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.386 12.078 -0.838 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.863 14.193 -3.269 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.628 14.856 -4.312 1.00 0.00 C ATOM 1591 C ASN A 103 -12.950 14.112 -4.519 1.00 0.00 C ATOM 1592 O ASN A 103 -14.023 14.699 -4.391 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.869 14.850 -5.640 1.00 0.00 C ATOM 1594 CG ASN A 103 -10.082 16.149 -5.827 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.537 17.097 -6.445 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.879 16.139 -5.260 1.00 0.00 N ATOM 0 H ASN A 103 -10.272 13.428 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.801 15.886 -4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.187 14.000 -5.670 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.571 14.724 -6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.276 16.959 -5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.559 15.311 -4.757 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.828 12.832 -4.837 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.999 12.002 -5.063 1.00 0.00 C ATOM 1605 C ASP A 104 -14.035 10.882 -4.021 1.00 0.00 C ATOM 1606 O ASP A 104 -13.354 10.958 -3.000 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.957 11.357 -6.450 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.552 12.295 -7.588 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -12.403 12.784 -7.540 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -14.402 12.503 -8.481 1.00 0.00 O ATOM 0 H ASP A 104 -11.936 12.349 -4.944 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.882 12.637 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.259 10.520 -6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.941 10.945 -6.672 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.835 9.869 -4.316 1.00 0.00 N ATOM 1616 CA GLN A 105 -14.969 8.735 -3.417 1.00 0.00 C ATOM 1617 C GLN A 105 -13.852 7.720 -3.673 1.00 0.00 C ATOM 1618 O GLN A 105 -13.493 6.950 -2.784 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.345 8.082 -3.558 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.326 6.644 -3.037 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.699 5.985 -3.195 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.123 5.628 -4.282 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.366 5.845 -2.054 1.00 0.00 N ATOM 0 H GLN A 105 -15.397 9.809 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.878 9.096 -2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.085 8.662 -3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.649 8.089 -4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.577 6.067 -3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.034 6.638 -1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.952 6.166 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.292 5.417 -2.054 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.335 7.753 -4.892 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.267 6.846 -5.276 1.00 0.00 C ATOM 1634 C LYS A 106 -10.991 7.216 -4.516 1.00 0.00 C ATOM 1635 O LYS A 106 -10.541 6.467 -3.650 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.094 6.834 -6.797 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.245 6.086 -7.473 1.00 0.00 C ATOM 1638 CD LYS A 106 -12.867 5.669 -8.896 1.00 0.00 C ATOM 1639 CE LYS A 106 -13.470 6.625 -9.926 1.00 0.00 C ATOM 1640 NZ LYS A 106 -12.673 6.615 -11.173 1.00 0.00 N ATOM 0 H LYS A 106 -13.636 8.393 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.519 5.823 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.052 7.857 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.147 6.361 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.503 5.203 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.130 6.721 -7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.782 5.656 -8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.218 4.655 -9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.498 6.334 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.504 7.635 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.097 7.270 -11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.699 6.914 -10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.662 5.654 -11.571 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.445 8.371 -4.867 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.231 8.849 -4.228 1.00 0.00 C ATOM 1656 C ASP A 107 -9.298 8.554 -2.729 1.00 0.00 C ATOM 1657 O ASP A 107 -8.371 7.974 -2.164 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.073 10.360 -4.406 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.653 10.829 -4.728 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -7.072 10.267 -5.681 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.180 11.739 -4.013 1.00 0.00 O ATOM 0 H ASP A 107 -10.821 8.990 -5.586 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.385 8.341 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.738 10.688 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.404 10.855 -3.493 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.404 8.965 -2.126 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.604 8.752 -0.703 1.00 0.00 C ATOM 1668 C LEU A 108 -10.349 7.280 -0.371 1.00 0.00 C ATOM 1669 O LEU A 108 -9.383 6.954 0.318 1.00 0.00 O ATOM 1670 CB LEU A 108 -11.987 9.248 -0.276 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.484 8.759 1.086 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.100 7.363 0.977 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.366 8.813 2.129 1.00 0.00 C ATOM 0 H LEU A 108 -11.171 9.445 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.889 9.338 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.973 10.338 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.710 8.946 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.272 9.432 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.445 7.040 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.943 7.390 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.351 6.663 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.746 8.460 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.540 8.178 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.015 9.840 2.233 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.231 6.431 -0.876 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.114 5.002 -0.643 1.00 0.00 C ATOM 1687 C LYS A 109 -9.699 4.545 -1.003 1.00 0.00 C ATOM 1688 O LYS A 109 -8.985 4.001 -0.162 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.213 4.244 -1.389 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.340 3.835 -0.438 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.438 2.312 -0.328 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.448 1.905 0.747 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.436 0.951 0.196 1.00 0.00 N ATOM 0 H LYS A 109 -12.031 6.706 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.264 4.776 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.614 4.870 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.791 3.357 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.162 4.264 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.287 4.239 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.735 1.893 -1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.459 1.897 -0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.927 1.452 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.960 2.789 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.114 0.685 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.945 1.396 -0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.944 0.100 -0.144 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.336 4.783 -2.255 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.019 4.403 -2.737 1.00 0.00 C ATOM 1709 C ASP A 110 -6.969 4.772 -1.686 1.00 0.00 C ATOM 1710 O ASP A 110 -6.200 3.919 -1.246 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.672 5.142 -4.031 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.741 4.290 -5.301 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -7.125 3.203 -5.289 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -8.409 4.746 -6.254 1.00 0.00 O ATOM 0 H ASP A 110 -9.931 5.234 -2.950 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.026 3.329 -2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.350 5.988 -4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.666 5.550 -3.940 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.972 6.043 -1.315 1.00 0.00 N ATOM 1720 CA TRP A 111 -6.030 6.535 -0.324 1.00 0.00 C ATOM 1721 C TRP A 111 -6.141 5.647 0.916 1.00 0.00 C ATOM 1722 O TRP A 111 -5.161 5.031 1.333 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.273 8.016 -0.023 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.417 8.970 -0.859 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.818 9.803 -1.829 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.990 9.156 -0.757 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.757 10.510 -2.359 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.610 10.104 -1.686 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.050 8.545 0.091 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.286 10.524 -1.855 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.731 8.976 -0.091 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.332 9.929 -1.021 1.00 0.00 C ATOM 0 H TRP A 111 -7.612 6.747 -1.682 1.00 0.00 H new ATOM 0 HA TRP A 111 -5.009 6.479 -0.702 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.325 8.243 -0.195 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.076 8.199 1.033 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.842 9.908 -2.155 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.806 11.202 -3.106 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.324 7.802 0.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.015 11.268 -2.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.969 8.537 0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.292 10.209 -1.100 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.344 5.609 1.471 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.596 4.806 2.656 1.00 0.00 C ATOM 1745 C VAL A 112 -6.995 3.412 2.460 1.00 0.00 C ATOM 1746 O VAL A 112 -6.221 2.943 3.292 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.096 4.773 2.956 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.378 4.022 4.259 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.676 6.188 3.003 1.00 0.00 C ATOM 0 H VAL A 112 -8.154 6.121 1.122 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.113 5.249 3.527 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.588 4.235 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.451 4.013 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.016 2.997 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.868 4.520 5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.743 6.137 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.176 6.761 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.523 6.676 2.041 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.375 2.790 1.353 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.883 1.459 1.037 1.00 0.00 C ATOM 1761 C GLU A 113 -5.355 1.462 0.962 1.00 0.00 C ATOM 1762 O GLU A 113 -4.698 0.617 1.568 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.496 0.944 -0.267 1.00 0.00 C ATOM 1764 CG GLU A 113 -9.016 1.112 -0.262 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.711 -0.161 -0.750 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.798 -1.106 0.063 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.137 -0.160 -1.925 1.00 0.00 O ATOM 0 H GLU A 113 -8.017 3.182 0.664 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.186 0.781 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.070 1.485 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.243 -0.108 -0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.355 1.352 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.295 1.950 -0.901 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.833 2.422 0.212 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.395 2.546 0.049 1.00 0.00 C ATOM 1776 C ALA A 114 -2.742 2.702 1.424 1.00 0.00 C ATOM 1777 O ALA A 114 -1.704 2.100 1.694 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.085 3.721 -0.880 1.00 0.00 C ATOM 0 H ALA A 114 -5.381 3.121 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.983 1.649 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.006 3.814 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.546 3.548 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.482 4.640 -0.449 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.378 3.513 2.257 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.872 3.756 3.597 1.00 0.00 C ATOM 1786 C LEU A 115 -3.141 2.529 4.470 1.00 0.00 C ATOM 1787 O LEU A 115 -2.545 2.377 5.535 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.454 5.053 4.163 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.960 6.349 3.516 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -3.967 7.482 3.720 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.567 6.720 4.028 1.00 0.00 C ATOM 0 H LEU A 115 -4.239 4.010 2.030 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.792 3.901 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.539 5.013 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.229 5.094 5.229 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.875 6.184 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.592 8.391 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.920 7.207 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.108 7.656 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.239 7.645 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.602 6.860 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.866 5.920 3.788 1.00 0.00 H new ATOM 1803 N ASN A 116 -4.040 1.684 3.985 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.396 0.475 4.708 1.00 0.00 C ATOM 1805 C ASN A 116 -3.431 -0.648 4.321 1.00 0.00 C ATOM 1806 O ASN A 116 -3.331 -1.654 5.022 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.814 0.021 4.358 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.702 -0.014 5.603 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.848 -1.029 6.264 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.285 1.147 5.885 1.00 0.00 N ATOM 0 H ASN A 116 -4.532 1.813 3.101 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.340 0.691 5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.244 0.697 3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.781 -0.969 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.897 1.226 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.120 1.959 5.290 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.746 -0.438 3.207 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.793 -1.420 2.718 1.00 0.00 C ATOM 1819 C GLN A 117 -0.396 -1.124 3.269 1.00 0.00 C ATOM 1820 O GLN A 117 0.183 -1.947 3.976 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.782 -1.460 1.189 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.151 -1.869 0.641 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.049 -3.152 -0.186 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.102 -3.372 -0.923 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -4.074 -3.983 -0.024 1.00 0.00 N ATOM 0 H GLN A 117 -2.832 0.398 2.629 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.101 -2.404 3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.508 -0.480 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.024 -2.164 0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.847 -2.018 1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.555 -1.066 0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.835 -3.737 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.100 -4.867 -0.533 1.00 0.00 H new ATOM 1834 N ALA A 118 0.104 0.054 2.924 1.00 0.00 N ATOM 1835 CA ALA A 118 1.421 0.468 3.375 1.00 0.00 C ATOM 1836 C ALA A 118 1.569 0.150 4.864 1.00 0.00 C ATOM 1837 O ALA A 118 2.600 -0.367 5.292 1.00 0.00 O ATOM 1838 CB ALA A 118 1.619 1.955 3.074 1.00 0.00 C ATOM 0 H ALA A 118 -0.380 0.734 2.338 1.00 0.00 H new ATOM 0 HA ALA A 118 2.199 -0.079 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.607 2.266 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.533 2.124 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.858 2.536 3.594 1.00 0.00 H new ATOM 1844 N SER A 119 0.524 0.473 5.612 1.00 0.00 N ATOM 1845 CA SER A 119 0.525 0.227 7.044 1.00 0.00 C ATOM 1846 C SER A 119 0.758 -1.259 7.321 1.00 0.00 C ATOM 1847 O SER A 119 1.575 -1.616 8.168 1.00 0.00 O ATOM 1848 CB SER A 119 -0.787 0.687 7.682 1.00 0.00 C ATOM 1849 OG SER A 119 -1.210 -0.190 8.723 1.00 0.00 O ATOM 0 H SER A 119 -0.329 0.903 5.253 1.00 0.00 H new ATOM 0 HA SER A 119 1.336 0.803 7.489 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.662 1.693 8.083 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.562 0.743 6.918 1.00 0.00 H new ATOM 0 HG SER A 119 -2.050 0.138 9.106 1.00 0.00 H new