USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 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 73 LYS NZ :NH3+ -170:sc= 0.0585 (180deg=0) USER MOD Set 1.2: A 116 ASN : amide:sc= 0.00174 K(o=0.06,f=-1.8) USER MOD Set 2.1: A 45 CYS SG : rot -28:sc= -2.44! USER MOD Set 2.2: A 67 GLN : amide:sc= -4.21! C(o=-6.6!,f=-5!) USER MOD Set 3.1: A 18 CYS SG : rot 20:sc= 0.0451 USER MOD Set 3.2: A 36 TYR OH : rot -39:sc= -0.24 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0639 K(o=-0.064,f=-0.77) USER MOD Single : A 44 ASN : amide:sc= -0.901 X(o=-0.9,f=-0.6) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.728 USER MOD Single : A 50 MET CE :methyl 149:sc= -3.78! (180deg=-4.22!) 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 75 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 88 CYS SG : rot -58:sc= -1.87 USER MOD Single : A 92 ASN : amide:sc=-0.00325 X(o=-0.0033,f=-0.11) USER MOD Single : A 95 SER OG : rot -53:sc= 0.0621 USER MOD Single : A 96 GLN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.66) 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 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot -109:sc= 0.775 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 1.704 2.118 -4.668 1.00 0.00 N ATOM 202 CA ARG A 16 1.799 3.534 -4.358 1.00 0.00 C ATOM 203 C ARG A 16 0.576 4.279 -4.897 1.00 0.00 C ATOM 204 O ARG A 16 0.008 3.891 -5.918 1.00 0.00 O ATOM 205 CB ARG A 16 3.066 4.146 -4.959 1.00 0.00 C ATOM 206 CG ARG A 16 2.915 5.658 -5.133 1.00 0.00 C ATOM 207 CD ARG A 16 4.282 6.336 -5.246 1.00 0.00 C ATOM 208 NE ARG A 16 4.171 7.567 -6.061 1.00 0.00 N ATOM 209 CZ ARG A 16 5.218 8.214 -6.591 1.00 0.00 C ATOM 210 NH1 ARG A 16 6.460 7.752 -6.395 1.00 0.00 N ATOM 211 NH2 ARG A 16 5.022 9.323 -7.317 1.00 0.00 N ATOM 0 HA ARG A 16 1.840 3.633 -3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.918 3.934 -4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.275 3.684 -5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.326 5.868 -6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.368 6.072 -4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.659 6.580 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.000 5.653 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 16 3.239 7.946 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.609 6.908 -5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.257 8.244 -6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.076 9.674 -7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.819 9.816 -7.721 1.00 0.00 H new ATOM 225 N ILE A 17 0.206 5.335 -4.189 1.00 0.00 N ATOM 226 CA ILE A 17 -0.939 6.138 -4.584 1.00 0.00 C ATOM 227 C ILE A 17 -0.542 7.615 -4.592 1.00 0.00 C ATOM 228 O ILE A 17 0.354 8.025 -3.855 1.00 0.00 O ATOM 229 CB ILE A 17 -2.143 5.829 -3.691 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.440 6.333 -4.328 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.940 6.391 -2.283 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.663 5.769 -3.600 1.00 0.00 C ATOM 0 H ILE A 17 0.679 5.654 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.250 5.886 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.230 4.747 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.465 7.422 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.471 6.042 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.810 6.158 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.051 5.944 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.814 7.472 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.572 6.142 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.648 4.680 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.642 6.082 -2.556 1.00 0.00 H new ATOM 244 N CYS A 18 -1.229 8.375 -5.433 1.00 0.00 N ATOM 245 CA CYS A 18 -0.960 9.798 -5.546 1.00 0.00 C ATOM 246 C CYS A 18 -2.295 10.530 -5.689 1.00 0.00 C ATOM 247 O CYS A 18 -3.273 9.958 -6.169 1.00 0.00 O ATOM 248 CB CYS A 18 -0.014 10.104 -6.709 1.00 0.00 C ATOM 249 SG CYS A 18 -0.772 9.574 -8.288 1.00 0.00 S ATOM 0 H CYS A 18 -1.971 8.032 -6.042 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.451 10.147 -4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.203 11.172 -6.741 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.936 9.590 -6.561 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.057 9.452 -8.133 1.00 0.00 H new ATOM 255 N GLY A 19 -2.295 11.785 -5.263 1.00 0.00 N ATOM 256 CA GLY A 19 -3.494 12.601 -5.338 1.00 0.00 C ATOM 257 C GLY A 19 -3.413 13.786 -4.373 1.00 0.00 C ATOM 258 O GLY A 19 -2.810 13.681 -3.306 1.00 0.00 O ATOM 0 H GLY A 19 -1.483 12.256 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.627 12.966 -6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.367 11.993 -5.101 1.00 0.00 H new ATOM 262 N PHE A 20 -4.028 14.885 -4.783 1.00 0.00 N ATOM 263 CA PHE A 20 -4.032 16.088 -3.969 1.00 0.00 C ATOM 264 C PHE A 20 -4.993 15.947 -2.787 1.00 0.00 C ATOM 265 O PHE A 20 -6.208 15.890 -2.973 1.00 0.00 O ATOM 266 CB PHE A 20 -4.509 17.234 -4.864 1.00 0.00 C ATOM 267 CG PHE A 20 -3.476 17.686 -5.898 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.393 18.410 -5.506 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.640 17.366 -7.210 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.434 18.830 -6.465 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.681 17.786 -8.169 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.599 18.510 -7.777 1.00 0.00 C ATOM 0 H PHE A 20 -4.527 14.968 -5.669 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.033 16.271 -3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.416 16.923 -5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.776 18.084 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.263 18.665 -4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.500 16.792 -7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.574 19.403 -6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.811 17.530 -9.210 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.871 18.831 -8.507 1.00 0.00 H new ATOM 282 N LEU A 21 -4.414 15.894 -1.597 1.00 0.00 N ATOM 283 CA LEU A 21 -5.204 15.760 -0.385 1.00 0.00 C ATOM 284 C LEU A 21 -5.113 17.056 0.424 1.00 0.00 C ATOM 285 O LEU A 21 -4.097 17.747 0.383 1.00 0.00 O ATOM 286 CB LEU A 21 -4.778 14.516 0.398 1.00 0.00 C ATOM 287 CG LEU A 21 -4.932 13.180 -0.331 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.297 12.041 0.470 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.400 12.900 -0.659 1.00 0.00 C ATOM 0 H LEU A 21 -3.406 15.941 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.255 15.610 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.733 14.632 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.359 14.474 1.319 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.397 13.245 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.421 11.103 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.235 12.242 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.783 11.966 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.481 11.944 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.978 12.863 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.788 13.693 -1.298 1.00 0.00 H new ATOM 301 N ASP A 22 -6.190 17.345 1.140 1.00 0.00 N ATOM 302 CA ASP A 22 -6.244 18.546 1.956 1.00 0.00 C ATOM 303 C ASP A 22 -6.122 18.160 3.432 1.00 0.00 C ATOM 304 O ASP A 22 -7.111 17.795 4.066 1.00 0.00 O ATOM 305 CB ASP A 22 -7.574 19.280 1.768 1.00 0.00 C ATOM 306 CG ASP A 22 -7.512 20.506 0.855 1.00 0.00 C ATOM 307 OD1 ASP A 22 -6.466 21.189 0.892 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.513 20.732 0.141 1.00 0.00 O ATOM 0 H ASP A 22 -7.031 16.769 1.172 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.426 19.198 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.304 18.580 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.941 19.592 2.746 1.00 0.00 H new ATOM 313 N ILE A 23 -4.900 18.254 3.935 1.00 0.00 N ATOM 314 CA ILE A 23 -4.636 17.919 5.324 1.00 0.00 C ATOM 315 C ILE A 23 -4.828 19.165 6.191 1.00 0.00 C ATOM 316 O ILE A 23 -4.393 20.255 5.822 1.00 0.00 O ATOM 317 CB ILE A 23 -3.254 17.278 5.467 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.976 16.891 6.921 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.165 18.191 4.899 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.659 16.122 7.042 1.00 0.00 C ATOM 0 H ILE A 23 -4.082 18.557 3.406 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.347 17.172 5.677 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.242 16.359 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.935 17.788 7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.794 16.280 7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.193 17.712 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.358 18.373 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.168 19.139 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.486 15.859 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.712 15.213 6.443 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.840 16.745 6.684 1.00 0.00 H new ATOM 332 N GLU A 24 -5.480 18.963 7.326 1.00 0.00 N ATOM 333 CA GLU A 24 -5.735 20.057 8.248 1.00 0.00 C ATOM 334 C GLU A 24 -4.461 20.411 9.018 1.00 0.00 C ATOM 335 O GLU A 24 -3.867 19.553 9.670 1.00 0.00 O ATOM 336 CB GLU A 24 -6.877 19.712 9.206 1.00 0.00 C ATOM 337 CG GLU A 24 -7.291 20.934 10.028 1.00 0.00 C ATOM 338 CD GLU A 24 -7.706 20.528 11.443 1.00 0.00 C ATOM 339 OE1 GLU A 24 -6.793 20.187 12.227 1.00 0.00 O ATOM 340 OE2 GLU A 24 -8.926 20.567 11.710 1.00 0.00 O ATOM 0 H GLU A 24 -5.840 18.058 7.629 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.041 20.929 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.732 19.343 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.566 18.908 9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.463 21.641 10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.118 21.445 9.535 1.00 0.00 H new ATOM 442 N PHE A 32 -7.206 23.907 5.637 1.00 0.00 N ATOM 443 CA PHE A 32 -6.521 22.737 5.114 1.00 0.00 C ATOM 444 C PHE A 32 -5.494 23.133 4.051 1.00 0.00 C ATOM 445 O PHE A 32 -5.816 23.862 3.114 1.00 0.00 O ATOM 446 CB PHE A 32 -7.585 21.846 4.471 1.00 0.00 C ATOM 447 CG PHE A 32 -8.732 21.469 5.411 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.690 22.385 5.716 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.793 20.218 5.942 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.754 22.035 6.589 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.857 19.868 6.815 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.815 20.784 7.120 1.00 0.00 C ATOM 0 HA PHE A 32 -5.993 22.224 5.918 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.995 22.358 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.110 20.934 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.642 23.378 5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.032 19.491 5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.515 22.762 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.905 18.875 7.237 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.624 20.518 7.784 1.00 0.00 H new ATOM 462 N LEU A 33 -4.280 22.635 4.233 1.00 0.00 N ATOM 463 CA LEU A 33 -3.204 22.928 3.301 1.00 0.00 C ATOM 464 C LEU A 33 -3.249 21.926 2.145 1.00 0.00 C ATOM 465 O LEU A 33 -2.908 20.757 2.319 1.00 0.00 O ATOM 466 CB LEU A 33 -1.859 22.966 4.030 1.00 0.00 C ATOM 467 CG LEU A 33 -1.678 24.098 5.043 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.213 24.535 5.120 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.610 25.270 4.730 1.00 0.00 C ATOM 0 H LEU A 33 -4.017 22.031 5.012 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.334 23.920 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.722 22.017 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.066 23.041 3.285 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.955 23.722 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.111 25.341 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.403 23.690 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.114 24.886 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.460 26.060 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.389 25.655 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.645 24.931 4.767 1.00 0.00 H new ATOM 481 N ARG A 34 -3.673 22.421 0.992 1.00 0.00 N ATOM 482 CA ARG A 34 -3.768 21.583 -0.192 1.00 0.00 C ATOM 483 C ARG A 34 -2.370 21.230 -0.705 1.00 0.00 C ATOM 484 O ARG A 34 -1.647 22.097 -1.194 1.00 0.00 O ATOM 485 CB ARG A 34 -4.549 22.287 -1.304 1.00 0.00 C ATOM 486 CG ARG A 34 -4.453 21.509 -2.618 1.00 0.00 C ATOM 487 CD ARG A 34 -3.485 22.190 -3.588 1.00 0.00 C ATOM 488 NE ARG A 34 -3.657 21.635 -4.949 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.583 22.057 -5.821 1.00 0.00 C ATOM 490 NH1 ARG A 34 -5.425 23.042 -5.479 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.667 21.495 -7.034 1.00 0.00 N ATOM 0 H ARG A 34 -3.955 23.391 0.852 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.298 20.672 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.594 22.387 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.159 23.295 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.118 20.491 -2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.440 21.436 -3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.665 23.265 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.458 22.042 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.032 20.884 -5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.361 23.470 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.130 23.364 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.026 20.745 -7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.372 21.817 -7.697 1.00 0.00 H new ATOM 505 N ARG A 35 -2.032 19.956 -0.577 1.00 0.00 N ATOM 506 CA ARG A 35 -0.734 19.477 -1.021 1.00 0.00 C ATOM 507 C ARG A 35 -0.878 18.124 -1.720 1.00 0.00 C ATOM 508 O ARG A 35 -1.791 17.358 -1.416 1.00 0.00 O ATOM 509 CB ARG A 35 0.233 19.335 0.156 1.00 0.00 C ATOM 510 CG ARG A 35 1.306 20.425 0.119 1.00 0.00 C ATOM 511 CD ARG A 35 0.682 21.814 0.264 1.00 0.00 C ATOM 512 NE ARG A 35 1.593 22.703 1.018 1.00 0.00 N ATOM 513 CZ ARG A 35 1.277 23.944 1.412 1.00 0.00 C ATOM 514 NH1 ARG A 35 0.071 24.451 1.125 1.00 0.00 N ATOM 515 NH2 ARG A 35 2.168 24.679 2.092 1.00 0.00 N ATOM 0 H ARG A 35 -2.635 19.240 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.332 20.210 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.319 19.395 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.706 18.353 0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.025 20.260 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.857 20.366 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.482 22.236 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.275 21.739 0.780 1.00 0.00 H new ATOM 0 HE ARG A 35 2.520 22.349 1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.607 23.892 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.170 25.396 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.087 24.294 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.927 25.624 2.392 1.00 0.00 H new ATOM 529 N TYR A 36 0.037 17.872 -2.645 1.00 0.00 N ATOM 530 CA TYR A 36 0.024 16.624 -3.390 1.00 0.00 C ATOM 531 C TYR A 36 0.721 15.510 -2.607 1.00 0.00 C ATOM 532 O TYR A 36 1.940 15.529 -2.446 1.00 0.00 O ATOM 533 CB TYR A 36 0.806 16.893 -4.677 1.00 0.00 C ATOM 534 CG TYR A 36 0.691 15.779 -5.719 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.541 15.456 -6.251 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.819 15.098 -6.128 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.649 14.408 -7.232 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.711 14.050 -7.110 1.00 0.00 C ATOM 539 CZ TYR A 36 0.482 13.757 -7.613 1.00 0.00 C ATOM 540 OH TYR A 36 0.380 12.766 -8.540 1.00 0.00 O ATOM 0 H TYR A 36 0.792 18.511 -2.895 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.000 16.303 -3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.452 17.826 -5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.857 17.036 -4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.424 15.989 -5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.783 15.351 -5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.607 14.145 -7.656 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.586 13.509 -7.439 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.434 12.246 -8.375 1.00 0.00 H new ATOM 550 N PHE A 37 -0.083 14.566 -2.140 1.00 0.00 N ATOM 551 CA PHE A 37 0.441 13.446 -1.377 1.00 0.00 C ATOM 552 C PHE A 37 0.850 12.297 -2.301 1.00 0.00 C ATOM 553 O PHE A 37 0.304 12.150 -3.394 1.00 0.00 O ATOM 554 CB PHE A 37 -0.682 12.969 -0.454 1.00 0.00 C ATOM 555 CG PHE A 37 -0.850 13.813 0.810 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.871 15.170 0.724 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.977 13.207 2.021 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.027 15.954 1.898 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.133 13.991 3.195 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.154 15.348 3.108 1.00 0.00 C ATOM 0 H PHE A 37 -1.094 14.554 -2.275 1.00 0.00 H new ATOM 0 HA PHE A 37 1.323 13.757 -0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.620 12.973 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.487 11.936 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.769 15.652 -0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.959 12.129 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.045 17.032 1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.235 13.510 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.272 15.944 4.001 1.00 0.00 H new ATOM 570 N ILE A 38 1.806 11.512 -1.829 1.00 0.00 N ATOM 571 CA ILE A 38 2.294 10.380 -2.599 1.00 0.00 C ATOM 572 C ILE A 38 2.715 9.262 -1.643 1.00 0.00 C ATOM 573 O ILE A 38 3.719 9.385 -0.943 1.00 0.00 O ATOM 574 CB ILE A 38 3.403 10.822 -3.556 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.827 11.599 -4.741 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.245 9.627 -4.008 1.00 0.00 C ATOM 577 CD1 ILE A 38 3.941 12.089 -5.668 1.00 0.00 C ATOM 0 H ILE A 38 2.256 11.637 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 38 1.502 9.978 -3.230 1.00 0.00 H new ATOM 0 HB ILE A 38 4.068 11.500 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.139 10.963 -5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.251 12.450 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.026 9.968 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.702 9.154 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.608 8.906 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.505 12.638 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.613 12.744 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.500 11.234 -6.049 1.00 0.00 H new ATOM 589 N LEU A 39 1.927 8.197 -1.645 1.00 0.00 N ATOM 590 CA LEU A 39 2.206 7.058 -0.787 1.00 0.00 C ATOM 591 C LEU A 39 3.370 6.256 -1.373 1.00 0.00 C ATOM 592 O LEU A 39 3.194 5.518 -2.342 1.00 0.00 O ATOM 593 CB LEU A 39 0.938 6.230 -0.567 1.00 0.00 C ATOM 594 CG LEU A 39 0.910 5.370 0.699 1.00 0.00 C ATOM 595 CD1 LEU A 39 1.004 6.239 1.954 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.323 4.465 0.719 1.00 0.00 C ATOM 0 H LEU A 39 1.095 8.099 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 39 2.516 7.394 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.085 6.908 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.800 5.577 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 39 1.786 4.721 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.982 5.603 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.936 6.804 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.161 6.930 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.319 3.865 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.224 5.077 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.306 3.807 -0.150 1.00 0.00 H new ATOM 608 N ASP A 40 4.532 6.428 -0.762 1.00 0.00 N ATOM 609 CA ASP A 40 5.725 5.729 -1.211 1.00 0.00 C ATOM 610 C ASP A 40 5.984 4.531 -0.295 1.00 0.00 C ATOM 611 O ASP A 40 6.263 4.701 0.891 1.00 0.00 O ATOM 612 CB ASP A 40 6.952 6.641 -1.155 1.00 0.00 C ATOM 613 CG ASP A 40 8.217 6.063 -1.789 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.299 4.817 -1.859 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.075 6.878 -2.190 1.00 0.00 O ATOM 0 H ASP A 40 4.674 7.041 0.041 1.00 0.00 H new ATOM 0 HA ASP A 40 5.561 5.409 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.711 7.580 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.162 6.878 -0.112 1.00 0.00 H new ATOM 620 N THR A 41 5.883 3.347 -0.881 1.00 0.00 N ATOM 621 CA THR A 41 6.103 2.121 -0.132 1.00 0.00 C ATOM 622 C THR A 41 7.600 1.823 -0.026 1.00 0.00 C ATOM 623 O THR A 41 8.027 1.079 0.856 1.00 0.00 O ATOM 624 CB THR A 41 5.308 1.004 -0.810 1.00 0.00 C ATOM 625 OG1 THR A 41 6.093 0.659 -1.948 1.00 0.00 O ATOM 626 CG2 THR A 41 3.989 1.502 -1.405 1.00 0.00 C ATOM 0 H THR A 41 5.652 3.210 -1.865 1.00 0.00 H new ATOM 0 HA THR A 41 5.748 2.215 0.894 1.00 0.00 H new ATOM 0 HB THR A 41 5.105 0.214 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.651 -0.061 -2.445 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.464 0.670 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.369 1.922 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.193 2.269 -2.152 1.00 0.00 H new ATOM 634 N GLN A 42 8.356 2.418 -0.936 1.00 0.00 N ATOM 635 CA GLN A 42 9.796 2.226 -0.956 1.00 0.00 C ATOM 636 C GLN A 42 10.455 3.037 0.161 1.00 0.00 C ATOM 637 O GLN A 42 11.356 2.548 0.840 1.00 0.00 O ATOM 638 CB GLN A 42 10.380 2.596 -2.320 1.00 0.00 C ATOM 639 CG GLN A 42 9.791 1.717 -3.426 1.00 0.00 C ATOM 640 CD GLN A 42 10.777 0.623 -3.841 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.643 0.213 -3.085 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.599 0.175 -5.080 1.00 0.00 N ATOM 0 H GLN A 42 7.998 3.034 -1.666 1.00 0.00 H new ATOM 0 HA GLN A 42 10.004 1.170 -0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.174 3.644 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.464 2.482 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.863 1.262 -3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.541 2.333 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.854 0.562 -5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.207 -0.555 -5.450 1.00 0.00 H new ATOM 651 N ALA A 43 9.980 4.264 0.317 1.00 0.00 N ATOM 652 CA ALA A 43 10.512 5.148 1.340 1.00 0.00 C ATOM 653 C ALA A 43 9.910 4.772 2.696 1.00 0.00 C ATOM 654 O ALA A 43 10.500 5.051 3.739 1.00 0.00 O ATOM 655 CB ALA A 43 10.226 6.602 0.958 1.00 0.00 C ATOM 0 H ALA A 43 9.232 4.667 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 43 11.594 5.038 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.625 7.265 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.699 6.827 0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.150 6.751 0.874 1.00 0.00 H new ATOM 661 N ASN A 44 8.745 4.146 2.637 1.00 0.00 N ATOM 662 CA ASN A 44 8.057 3.729 3.847 1.00 0.00 C ATOM 663 C ASN A 44 7.622 4.967 4.634 1.00 0.00 C ATOM 664 O ASN A 44 7.523 4.925 5.859 1.00 0.00 O ATOM 665 CB ASN A 44 8.976 2.897 4.744 1.00 0.00 C ATOM 666 CG ASN A 44 8.189 2.250 5.886 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.365 1.373 5.687 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.489 2.731 7.089 1.00 0.00 N ATOM 0 H ASN A 44 8.259 3.917 1.770 1.00 0.00 H new ATOM 0 HA ASN A 44 7.196 3.127 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.466 2.124 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.762 3.531 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.018 2.365 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.190 3.466 7.184 1.00 0.00 H new ATOM 675 N CYS A 45 7.375 6.040 3.898 1.00 0.00 N ATOM 676 CA CYS A 45 6.953 7.288 4.511 1.00 0.00 C ATOM 677 C CYS A 45 6.049 8.028 3.523 1.00 0.00 C ATOM 678 O CYS A 45 6.099 7.774 2.321 1.00 0.00 O ATOM 679 CB CYS A 45 8.150 8.141 4.938 1.00 0.00 C ATOM 680 SG CYS A 45 9.369 7.107 5.829 1.00 0.00 S ATOM 0 H CYS A 45 7.459 6.071 2.882 1.00 0.00 H new ATOM 0 HA CYS A 45 6.396 7.077 5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.615 8.593 4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.816 8.957 5.579 1.00 0.00 H new ATOM 0 HG CYS A 45 8.756 6.122 6.416 1.00 0.00 H new ATOM 686 N LEU A 46 5.244 8.928 4.067 1.00 0.00 N ATOM 687 CA LEU A 46 4.330 9.707 3.249 1.00 0.00 C ATOM 688 C LEU A 46 4.906 11.108 3.041 1.00 0.00 C ATOM 689 O LEU A 46 5.253 11.790 4.004 1.00 0.00 O ATOM 690 CB LEU A 46 2.927 9.703 3.860 1.00 0.00 C ATOM 691 CG LEU A 46 1.826 10.348 3.017 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.194 11.784 2.640 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.508 9.496 1.786 1.00 0.00 C ATOM 0 H LEU A 46 5.205 9.135 5.065 1.00 0.00 H new ATOM 0 HA LEU A 46 4.224 9.256 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.644 8.670 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.969 10.216 4.821 1.00 0.00 H new ATOM 0 HG LEU A 46 0.919 10.396 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.394 12.219 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.331 12.374 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.119 11.783 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.722 9.977 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.403 9.394 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.172 8.509 2.104 1.00 0.00 H new ATOM 705 N LEU A 47 4.990 11.497 1.777 1.00 0.00 N ATOM 706 CA LEU A 47 5.518 12.806 1.430 1.00 0.00 C ATOM 707 C LEU A 47 4.494 13.553 0.573 1.00 0.00 C ATOM 708 O LEU A 47 4.056 13.048 -0.459 1.00 0.00 O ATOM 709 CB LEU A 47 6.891 12.671 0.770 1.00 0.00 C ATOM 710 CG LEU A 47 7.900 11.778 1.495 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.909 11.180 0.513 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.588 12.539 2.631 1.00 0.00 C ATOM 0 H LEU A 47 4.701 10.929 0.981 1.00 0.00 H new ATOM 0 HA LEU A 47 5.679 13.403 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.750 12.282 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.323 13.667 0.670 1.00 0.00 H new ATOM 0 HG LEU A 47 7.358 10.946 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.614 10.550 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.383 10.580 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.450 11.983 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.300 11.882 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.114 13.402 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.840 12.875 3.349 1.00 0.00 H new ATOM 724 N TRP A 48 4.143 14.745 1.033 1.00 0.00 N ATOM 725 CA TRP A 48 3.179 15.568 0.321 1.00 0.00 C ATOM 726 C TRP A 48 3.889 16.847 -0.128 1.00 0.00 C ATOM 727 O TRP A 48 4.473 17.556 0.689 1.00 0.00 O ATOM 728 CB TRP A 48 1.947 15.840 1.186 1.00 0.00 C ATOM 729 CG TRP A 48 2.244 16.630 2.462 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.487 17.942 2.583 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.321 16.100 3.802 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.713 18.296 3.897 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.609 17.140 4.663 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.152 14.786 4.272 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.754 16.974 6.045 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.300 14.636 5.657 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.590 15.673 6.536 1.00 0.00 C ATOM 0 H TRP A 48 4.509 15.161 1.890 1.00 0.00 H new ATOM 0 HA TRP A 48 2.806 15.049 -0.562 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.214 16.388 0.594 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.490 14.889 1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.504 18.636 1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.919 19.233 4.243 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.926 13.958 3.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.980 17.804 6.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.180 13.646 6.071 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.688 15.476 7.593 1.00 0.00 H new ATOM 748 N TYR A 49 3.815 17.102 -1.426 1.00 0.00 N ATOM 749 CA TYR A 49 4.443 18.283 -1.994 1.00 0.00 C ATOM 750 C TYR A 49 3.395 19.241 -2.564 1.00 0.00 C ATOM 751 O TYR A 49 2.318 18.814 -2.976 1.00 0.00 O ATOM 752 CB TYR A 49 5.331 17.781 -3.133 1.00 0.00 C ATOM 753 CG TYR A 49 6.074 16.481 -2.818 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.432 15.268 -2.959 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.386 16.523 -2.391 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.131 14.045 -2.662 1.00 0.00 C ATOM 757 CE2 TYR A 49 8.085 15.299 -2.094 1.00 0.00 C ATOM 758 CZ TYR A 49 7.423 14.121 -2.244 1.00 0.00 C ATOM 759 OH TYR A 49 8.084 12.965 -1.964 1.00 0.00 O ATOM 0 H TYR A 49 3.330 16.511 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 49 5.005 18.823 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.716 17.630 -4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.060 18.553 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.405 15.236 -3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.888 17.473 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.640 13.089 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.112 15.317 -1.760 1.00 0.00 H new ATOM 0 HH TYR A 49 9.046 13.143 -1.912 1.00 0.00 H new ATOM 769 N MET A 50 3.747 20.518 -2.568 1.00 0.00 N ATOM 770 CA MET A 50 2.851 21.540 -3.080 1.00 0.00 C ATOM 771 C MET A 50 2.240 21.114 -4.417 1.00 0.00 C ATOM 772 O MET A 50 1.066 21.373 -4.678 1.00 0.00 O ATOM 773 CB MET A 50 3.621 22.849 -3.266 1.00 0.00 C ATOM 774 CG MET A 50 4.282 23.286 -1.957 1.00 0.00 C ATOM 775 SD MET A 50 4.399 25.066 -1.896 1.00 0.00 S ATOM 776 CE MET A 50 3.613 25.375 -0.323 1.00 0.00 C ATOM 0 H MET A 50 4.641 20.868 -2.224 1.00 0.00 H new ATOM 0 HA MET A 50 2.044 21.682 -2.361 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.381 22.722 -4.037 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.942 23.628 -3.613 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.703 22.922 -1.108 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.276 22.845 -1.877 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.049 26.264 0.133 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.545 25.531 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.765 24.519 0.334 1.00 0.00 H new ATOM 786 N ASP A 51 3.064 20.467 -5.228 1.00 0.00 N ATOM 787 CA ASP A 51 2.619 20.002 -6.531 1.00 0.00 C ATOM 788 C ASP A 51 3.446 18.781 -6.941 1.00 0.00 C ATOM 789 O ASP A 51 4.444 18.459 -6.299 1.00 0.00 O ATOM 790 CB ASP A 51 2.811 21.083 -7.596 1.00 0.00 C ATOM 791 CG ASP A 51 1.537 21.828 -7.999 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.787 22.210 -7.074 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.342 21.998 -9.221 1.00 0.00 O ATOM 0 H ASP A 51 4.037 20.254 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 51 1.560 19.753 -6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.537 21.808 -7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.242 20.623 -8.485 1.00 0.00 H new ATOM 936 N VAL A 63 6.763 19.820 1.935 1.00 0.00 N ATOM 937 CA VAL A 63 6.432 20.755 2.997 1.00 0.00 C ATOM 938 C VAL A 63 6.293 19.992 4.316 1.00 0.00 C ATOM 939 O VAL A 63 6.455 20.568 5.391 1.00 0.00 O ATOM 940 CB VAL A 63 5.175 21.544 2.627 1.00 0.00 C ATOM 941 CG1 VAL A 63 5.457 22.519 1.482 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.021 20.603 2.274 1.00 0.00 C ATOM 0 HA VAL A 63 7.231 21.485 3.126 1.00 0.00 H new ATOM 0 HB VAL A 63 4.877 22.127 3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.547 23.067 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.234 23.221 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.792 21.964 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.140 21.189 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.305 19.981 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.795 19.967 3.130 1.00 0.00 H new ATOM 952 N GLY A 64 5.992 18.707 4.191 1.00 0.00 N ATOM 953 CA GLY A 64 5.829 17.860 5.360 1.00 0.00 C ATOM 954 C GLY A 64 6.026 16.386 5.001 1.00 0.00 C ATOM 955 O GLY A 64 6.055 16.029 3.824 1.00 0.00 O ATOM 0 H GLY A 64 5.857 18.233 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.547 18.150 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.835 18.005 5.783 1.00 0.00 H new ATOM 959 N SER A 65 6.156 15.570 6.036 1.00 0.00 N ATOM 960 CA SER A 65 6.350 14.142 5.844 1.00 0.00 C ATOM 961 C SER A 65 5.591 13.362 6.919 1.00 0.00 C ATOM 962 O SER A 65 5.168 13.933 7.923 1.00 0.00 O ATOM 963 CB SER A 65 7.836 13.779 5.874 1.00 0.00 C ATOM 964 OG SER A 65 8.470 14.222 7.070 1.00 0.00 O ATOM 0 H SER A 65 6.131 15.870 7.011 1.00 0.00 H new ATOM 0 HA SER A 65 5.958 13.872 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.947 12.698 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.335 14.224 5.013 1.00 0.00 H new ATOM 0 HG SER A 65 9.417 13.970 7.051 1.00 0.00 H new ATOM 970 N LEU A 66 5.442 12.069 6.673 1.00 0.00 N ATOM 971 CA LEU A 66 4.742 11.204 7.607 1.00 0.00 C ATOM 972 C LEU A 66 5.376 9.812 7.581 1.00 0.00 C ATOM 973 O LEU A 66 5.363 9.140 6.551 1.00 0.00 O ATOM 974 CB LEU A 66 3.241 11.202 7.313 1.00 0.00 C ATOM 975 CG LEU A 66 2.345 11.816 8.391 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.889 11.877 7.925 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.491 11.067 9.717 1.00 0.00 C ATOM 0 H LEU A 66 5.795 11.599 5.839 1.00 0.00 H new ATOM 0 HA LEU A 66 4.844 11.581 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.073 11.739 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.924 10.172 7.149 1.00 0.00 H new ATOM 0 HG LEU A 66 2.671 12.842 8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.274 12.317 8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.820 12.488 7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.534 10.870 7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.844 11.523 10.466 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.207 10.024 9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.527 11.119 10.052 1.00 0.00 H new ATOM 989 N GLN A 67 5.915 9.421 8.726 1.00 0.00 N ATOM 990 CA GLN A 67 6.553 8.121 8.847 1.00 0.00 C ATOM 991 C GLN A 67 5.501 7.032 9.068 1.00 0.00 C ATOM 992 O GLN A 67 4.891 6.960 10.134 1.00 0.00 O ATOM 993 CB GLN A 67 7.587 8.120 9.975 1.00 0.00 C ATOM 994 CG GLN A 67 8.401 9.416 9.973 1.00 0.00 C ATOM 995 CD GLN A 67 8.541 9.973 8.555 1.00 0.00 C ATOM 996 OE1 GLN A 67 7.926 10.960 8.184 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.382 9.289 7.785 1.00 0.00 N ATOM 0 H GLN A 67 5.923 9.981 9.578 1.00 0.00 H new ATOM 0 HA GLN A 67 7.079 7.908 7.916 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.084 8.004 10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.255 7.266 9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.917 10.155 10.612 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.389 9.230 10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.865 8.472 8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.544 9.582 6.821 1.00 0.00 H new ATOM 1006 N LEU A 68 5.321 6.212 8.043 1.00 0.00 N ATOM 1007 CA LEU A 68 4.353 5.130 8.112 1.00 0.00 C ATOM 1008 C LEU A 68 4.414 4.484 9.498 1.00 0.00 C ATOM 1009 O LEU A 68 3.383 4.127 10.066 1.00 0.00 O ATOM 1010 CB LEU A 68 4.570 4.143 6.964 1.00 0.00 C ATOM 1011 CG LEU A 68 4.345 4.693 5.554 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.419 3.577 4.511 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.027 5.467 5.472 1.00 0.00 C ATOM 0 H LEU A 68 5.829 6.275 7.161 1.00 0.00 H new ATOM 0 HA LEU A 68 3.342 5.515 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.590 3.763 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.904 3.293 7.111 1.00 0.00 H new ATOM 0 HG LEU A 68 5.147 5.396 5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.256 3.996 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.402 3.108 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.652 2.831 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.891 5.847 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.199 4.804 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.051 6.301 6.173 1.00 0.00 H new ATOM 1025 N THR A 69 5.632 4.354 10.002 1.00 0.00 N ATOM 1026 CA THR A 69 5.841 3.758 11.310 1.00 0.00 C ATOM 1027 C THR A 69 4.782 4.252 12.297 1.00 0.00 C ATOM 1028 O THR A 69 4.260 3.475 13.095 1.00 0.00 O ATOM 1029 CB THR A 69 7.273 4.070 11.749 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.223 4.002 13.172 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.672 5.518 11.459 1.00 0.00 C ATOM 0 H THR A 69 6.485 4.651 9.528 1.00 0.00 H new ATOM 0 HA THR A 69 5.726 2.675 11.273 1.00 0.00 H new ATOM 0 HB THR A 69 7.963 3.395 11.242 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.112 4.190 13.540 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.697 5.686 11.790 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.601 5.708 10.388 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.003 6.193 11.992 1.00 0.00 H new ATOM 1039 N TYR A 70 4.494 5.543 12.210 1.00 0.00 N ATOM 1040 CA TYR A 70 3.506 6.150 13.085 1.00 0.00 C ATOM 1041 C TYR A 70 2.112 5.579 12.818 1.00 0.00 C ATOM 1042 O TYR A 70 1.502 4.982 13.704 1.00 0.00 O ATOM 1043 CB TYR A 70 3.506 7.643 12.749 1.00 0.00 C ATOM 1044 CG TYR A 70 4.650 8.426 13.397 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.941 7.944 13.330 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.390 9.615 14.047 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.018 8.682 13.940 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.466 10.353 14.657 1.00 0.00 C ATOM 1049 CZ TYR A 70 6.727 9.850 14.573 1.00 0.00 C ATOM 1050 OH TYR A 70 7.743 10.546 15.148 1.00 0.00 O ATOM 0 H TYR A 70 4.928 6.185 11.547 1.00 0.00 H new ATOM 0 HA TYR A 70 3.748 5.956 14.130 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.565 7.762 11.667 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.557 8.076 13.066 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.144 7.014 12.820 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.379 9.992 14.098 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.033 8.316 13.895 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.276 11.285 15.169 1.00 0.00 H new ATOM 0 HH TYR A 70 7.388 11.360 15.563 1.00 0.00 H new ATOM 1060 N ILE A 71 1.649 5.783 11.594 1.00 0.00 N ATOM 1061 CA ILE A 71 0.339 5.296 11.198 1.00 0.00 C ATOM 1062 C ILE A 71 0.125 3.894 11.774 1.00 0.00 C ATOM 1063 O ILE A 71 1.042 3.075 11.778 1.00 0.00 O ATOM 1064 CB ILE A 71 0.176 5.368 9.679 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.183 6.819 9.195 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.079 4.619 9.226 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.470 7.135 8.429 1.00 0.00 C ATOM 0 H ILE A 71 2.158 6.279 10.863 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.444 5.933 11.609 1.00 0.00 H new ATOM 0 HB ILE A 71 1.031 4.871 9.220 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.680 6.996 8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.089 7.491 10.048 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.171 4.686 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.004 3.572 9.520 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.957 5.065 9.693 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.450 8.173 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.329 6.980 9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.549 6.477 7.563 1.00 0.00 H new ATOM 1079 N SER A 72 -1.091 3.662 12.246 1.00 0.00 N ATOM 1080 CA SER A 72 -1.436 2.374 12.823 1.00 0.00 C ATOM 1081 C SER A 72 -2.712 1.834 12.172 1.00 0.00 C ATOM 1082 O SER A 72 -2.795 0.650 11.850 1.00 0.00 O ATOM 1083 CB SER A 72 -1.618 2.480 14.338 1.00 0.00 C ATOM 1084 OG SER A 72 -0.859 1.496 15.037 1.00 0.00 O ATOM 0 H SER A 72 -1.849 4.344 12.241 1.00 0.00 H new ATOM 0 HA SER A 72 -0.616 1.682 12.630 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.317 3.474 14.671 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.674 2.367 14.585 1.00 0.00 H new ATOM 0 HG SER A 72 -1.001 1.598 16.001 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.673 2.729 11.998 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.940 2.357 11.392 1.00 0.00 C ATOM 1092 C LYS A 73 -5.463 3.527 10.555 1.00 0.00 C ATOM 1093 O LYS A 73 -5.289 4.687 10.926 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.925 1.877 12.460 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.359 1.884 11.926 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.750 0.506 11.386 1.00 0.00 C ATOM 1097 CE LYS A 73 -7.565 0.439 9.869 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.272 -0.736 9.312 1.00 0.00 N ATOM 0 H LYS A 73 -3.600 3.710 12.266 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.805 1.514 10.714 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.657 0.870 12.780 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.857 2.520 13.338 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.045 2.175 12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.453 2.628 11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.142 -0.262 11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.789 0.294 11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.946 1.351 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.504 0.380 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.001 -0.865 8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.014 -1.585 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.299 -0.585 9.374 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.092 3.182 9.441 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.641 4.189 8.549 1.00 0.00 C ATOM 1114 C VAL A 74 -8.109 3.865 8.264 1.00 0.00 C ATOM 1115 O VAL A 74 -8.410 3.042 7.401 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.792 4.282 7.280 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.322 5.370 6.344 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.320 4.522 7.621 1.00 0.00 C ATOM 0 H VAL A 74 -6.234 2.219 9.136 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.610 5.173 9.017 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.864 3.327 6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.700 5.415 5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.349 5.138 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.295 6.333 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.739 4.584 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.222 5.455 8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.949 3.698 8.230 1.00 0.00 H new ATOM 1128 N SER A 75 -8.983 4.531 9.004 1.00 0.00 N ATOM 1129 CA SER A 75 -10.412 4.324 8.842 1.00 0.00 C ATOM 1130 C SER A 75 -11.079 5.622 8.381 1.00 0.00 C ATOM 1131 O SER A 75 -10.528 6.706 8.564 1.00 0.00 O ATOM 1132 CB SER A 75 -11.049 3.833 10.143 1.00 0.00 C ATOM 1133 OG SER A 75 -12.470 3.767 10.050 1.00 0.00 O ATOM 0 H SER A 75 -8.729 5.214 9.717 1.00 0.00 H new ATOM 0 HA SER A 75 -10.563 3.556 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.656 2.847 10.390 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.770 4.501 10.958 1.00 0.00 H new ATOM 0 HG SER A 75 -12.839 3.448 10.900 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.256 5.468 7.791 1.00 0.00 N ATOM 1140 CA ILE A 76 -13.003 6.614 7.303 1.00 0.00 C ATOM 1141 C ILE A 76 -13.538 7.414 8.493 1.00 0.00 C ATOM 1142 O ILE A 76 -14.259 6.877 9.333 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.091 6.167 6.325 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.505 5.288 5.217 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.851 7.369 5.761 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.163 5.841 4.732 1.00 0.00 C ATOM 0 H ILE A 76 -12.710 4.567 7.640 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.351 7.280 6.738 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.812 5.559 6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.371 4.271 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.204 5.235 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.618 7.022 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.320 7.918 6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.157 8.024 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.768 5.199 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.305 6.849 4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.459 5.870 5.564 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.163 8.685 8.527 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.596 9.564 9.600 1.00 0.00 C ATOM 1160 C ALA A 77 -15.061 9.273 9.932 1.00 0.00 C ATOM 1161 O ALA A 77 -15.927 9.358 9.062 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.368 11.020 9.190 1.00 0.00 C ATOM 0 H ALA A 77 -12.564 9.127 7.829 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.012 9.385 10.503 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.693 11.680 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.308 11.181 8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.941 11.238 8.289 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.154 12.046 1.639 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.003 11.190 1.411 1.00 0.00 C ATOM 1323 C PHE A 87 -13.780 11.700 2.177 1.00 0.00 C ATOM 1324 O PHE A 87 -12.853 12.246 1.580 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.705 11.231 -0.089 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.945 11.416 -0.965 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.928 10.477 -0.959 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.064 12.521 -1.749 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.079 10.649 -1.773 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.216 12.693 -2.562 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.199 11.754 -2.557 1.00 0.00 C ATOM 0 HA PHE A 87 -15.218 10.178 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.007 12.044 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.205 10.305 -0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.834 9.600 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.283 13.267 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.859 9.902 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.311 13.570 -3.185 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.075 11.885 -3.175 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.817 11.503 3.486 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.724 11.937 4.339 1.00 0.00 C ATOM 1343 C CYS A 88 -12.283 10.748 5.196 1.00 0.00 C ATOM 1344 O CYS A 88 -13.112 10.082 5.814 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.117 13.143 5.195 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.137 14.607 4.701 1.00 0.00 S ATOM 0 H CYS A 88 -14.587 11.049 3.977 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.889 12.270 3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.181 13.351 5.078 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.949 12.921 6.249 1.00 0.00 H new ATOM 0 HG CYS A 88 -10.870 14.345 4.830 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.978 10.518 5.206 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.417 9.422 5.977 1.00 0.00 C ATOM 1354 C PHE A 89 -9.492 9.943 7.079 1.00 0.00 C ATOM 1355 O PHE A 89 -8.776 10.923 6.881 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.602 8.564 5.007 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.405 9.289 4.390 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.201 9.276 5.023 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.544 9.948 3.208 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.090 9.949 4.451 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.432 10.621 2.636 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.229 10.607 3.269 1.00 0.00 C ATOM 0 H PHE A 89 -10.293 11.072 4.692 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.217 8.853 6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.246 7.678 5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.256 8.218 4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.090 8.753 5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.500 9.959 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.134 9.939 4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.542 11.144 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.384 11.119 2.833 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.538 9.264 8.216 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.713 9.647 9.349 1.00 0.00 C ATOM 1374 C VAL A 90 -7.561 8.651 9.494 1.00 0.00 C ATOM 1375 O VAL A 90 -7.787 7.449 9.625 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.573 9.753 10.610 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.734 9.517 11.868 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.288 11.105 10.673 1.00 0.00 C ATOM 0 H VAL A 90 -10.133 8.452 8.377 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.274 10.632 9.187 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.333 8.973 10.564 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.370 9.598 12.750 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.292 8.521 11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.942 10.263 11.922 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.893 11.155 11.579 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.550 11.907 10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.932 11.217 9.800 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.350 9.188 9.467 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.161 8.362 9.594 1.00 0.00 C ATOM 1390 C ILE A 91 -4.803 8.216 11.074 1.00 0.00 C ATOM 1391 O ILE A 91 -4.274 9.145 11.683 1.00 0.00 O ATOM 1392 CB ILE A 91 -4.024 8.924 8.738 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.208 8.548 7.267 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.662 8.481 9.277 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.070 9.108 6.411 1.00 0.00 C ATOM 0 H ILE A 91 -6.166 10.186 9.359 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.351 7.359 9.211 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.056 10.012 8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.243 7.463 7.167 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.162 8.932 6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.871 8.894 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.541 8.840 10.299 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.603 7.393 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.225 8.826 5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.053 10.195 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.120 8.703 6.759 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.105 7.042 11.610 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.821 6.762 13.007 1.00 0.00 C ATOM 1409 C ASN A 92 -3.360 6.330 13.150 1.00 0.00 C ATOM 1410 O ASN A 92 -2.934 5.356 12.531 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.703 5.628 13.532 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.526 6.086 14.738 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -6.021 6.677 15.679 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.818 5.782 14.658 1.00 0.00 N ATOM 0 H ASN A 92 -5.543 6.274 11.102 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.020 7.668 13.579 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.370 5.286 12.741 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.080 4.779 13.814 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.452 6.045 15.413 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.176 5.286 13.842 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.633 7.075 13.969 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.229 6.781 14.201 1.00 0.00 C ATOM 1423 C ALA A 93 -1.002 6.545 15.696 1.00 0.00 C ATOM 1424 O ALA A 93 -1.846 5.958 16.370 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.371 7.924 13.655 1.00 0.00 C ATOM 0 H ALA A 93 -2.990 7.882 14.481 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.935 5.873 13.675 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.682 7.704 13.829 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.547 8.032 12.585 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.636 8.852 14.162 1.00 0.00 H new ATOM 1431 N LEU A 94 0.143 7.014 16.169 1.00 0.00 N ATOM 1432 CA LEU A 94 0.492 6.861 17.571 1.00 0.00 C ATOM 1433 C LEU A 94 -0.761 7.055 18.428 1.00 0.00 C ATOM 1434 O LEU A 94 -1.276 6.098 19.005 1.00 0.00 O ATOM 1435 CB LEU A 94 1.642 7.799 17.943 1.00 0.00 C ATOM 1436 CG LEU A 94 2.840 7.802 16.990 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.100 8.307 17.696 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.047 6.420 16.366 1.00 0.00 C ATOM 0 H LEU A 94 0.841 7.500 15.606 1.00 0.00 H new ATOM 0 HA LEU A 94 0.859 5.853 17.764 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.251 8.814 18.006 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.996 7.531 18.939 1.00 0.00 H new ATOM 0 HG LEU A 94 2.628 8.495 16.175 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.936 8.299 16.997 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.935 9.324 18.053 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.328 7.658 18.542 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.904 6.449 15.693 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.229 5.689 17.154 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.156 6.136 15.806 1.00 0.00 H new ATOM 1450 N SER A 95 -1.214 8.298 18.484 1.00 0.00 N ATOM 1451 CA SER A 95 -2.397 8.629 19.261 1.00 0.00 C ATOM 1452 C SER A 95 -3.035 9.911 18.722 1.00 0.00 C ATOM 1453 O SER A 95 -3.702 10.635 19.460 1.00 0.00 O ATOM 1454 CB SER A 95 -2.055 8.790 20.743 1.00 0.00 C ATOM 1455 OG SER A 95 -3.206 8.666 21.573 1.00 0.00 O ATOM 0 H SER A 95 -0.784 9.089 18.004 1.00 0.00 H new ATOM 0 HA SER A 95 -3.109 7.809 19.167 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.319 8.038 21.029 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.595 9.765 20.905 1.00 0.00 H new ATOM 0 HG SER A 95 -3.902 9.281 21.261 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.808 10.153 17.439 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.352 11.335 16.792 1.00 0.00 C ATOM 1463 C GLN A 96 -4.309 10.932 15.668 1.00 0.00 C ATOM 1464 O GLN A 96 -4.455 9.749 15.367 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.234 12.236 16.264 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.305 13.627 16.897 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.185 14.526 16.371 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -1.412 15.611 15.861 1.00 0.00 O ATOM 1469 NE2 GLN A 96 0.035 14.017 16.524 1.00 0.00 N ATOM 0 H GLN A 96 -2.255 9.550 16.830 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.912 11.905 17.533 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.266 11.784 16.479 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.312 12.321 15.180 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.272 14.080 16.680 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.229 13.542 17.981 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.155 13.102 16.959 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.850 14.541 16.206 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.935 11.940 15.078 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.874 11.705 13.994 1.00 0.00 C ATOM 1480 C ARG A 97 -5.748 12.804 12.936 1.00 0.00 C ATOM 1481 O ARG A 97 -6.147 13.943 13.169 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.314 11.666 14.510 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.699 12.997 15.159 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.864 12.814 16.134 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.526 13.415 17.444 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.404 13.582 18.443 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.677 13.194 18.287 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -9.009 14.136 19.597 1.00 0.00 N ATOM 0 H ARG A 97 -4.810 12.921 15.330 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.633 10.739 13.551 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.994 11.449 13.686 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.423 10.859 15.234 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.840 13.410 15.687 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.975 13.716 14.387 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.763 13.281 15.731 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.083 11.753 16.257 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.565 13.721 17.596 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.977 12.772 17.408 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.346 13.321 19.047 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.040 14.431 19.716 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.677 14.263 20.357 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.191 12.422 11.796 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.007 13.360 10.702 1.00 0.00 C ATOM 1504 C TYR A 98 -6.225 13.367 9.776 1.00 0.00 C ATOM 1505 O TYR A 98 -6.537 12.357 9.147 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.789 12.863 9.921 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.492 12.852 10.731 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.156 11.742 11.480 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.658 13.951 10.714 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.935 11.731 12.243 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.436 13.940 11.477 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.135 12.831 12.204 1.00 0.00 C ATOM 1513 OH TYR A 98 1.018 12.821 12.924 1.00 0.00 O ATOM 0 H TYR A 98 -4.861 11.476 11.606 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.874 14.373 11.082 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.989 11.854 9.561 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.651 13.494 9.043 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.809 10.882 11.494 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.921 14.820 10.129 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.660 10.869 12.833 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.226 14.793 11.472 1.00 0.00 H new ATOM 0 HH TYR A 98 1.488 13.672 12.800 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.880 14.518 9.721 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.056 14.669 8.882 1.00 0.00 C ATOM 1525 C PHE A 99 -7.674 15.161 7.485 1.00 0.00 C ATOM 1526 O PHE A 99 -7.344 16.332 7.304 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.951 15.715 9.551 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.582 15.247 10.863 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.227 14.051 10.919 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.497 16.026 11.975 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.812 13.616 12.138 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.083 15.592 13.193 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.728 14.396 13.249 1.00 0.00 C ATOM 0 H PHE A 99 -6.618 15.354 10.244 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.561 13.709 8.774 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.363 16.612 9.743 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.744 15.996 8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.294 13.432 10.037 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.983 16.975 11.931 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.324 12.666 12.183 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.017 16.212 14.075 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.174 14.066 14.176 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.731 14.242 6.532 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.394 14.568 5.157 1.00 0.00 C ATOM 1545 C LEU A 100 -8.645 14.435 4.285 1.00 0.00 C ATOM 1546 O LEU A 100 -9.522 13.622 4.571 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.217 13.715 4.677 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.016 13.638 5.622 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.174 12.484 6.615 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.706 13.543 4.837 1.00 0.00 C ATOM 0 H LEU A 100 -8.006 13.272 6.685 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.060 15.603 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.578 12.702 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.876 14.108 3.719 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.977 14.560 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.307 12.451 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.076 12.635 7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.251 11.543 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.868 13.490 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.719 12.648 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.596 14.424 4.204 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.686 15.247 3.239 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.815 15.231 2.324 1.00 0.00 C ATOM 1564 C GLN A 101 -9.353 14.841 0.918 1.00 0.00 C ATOM 1565 O GLN A 101 -8.264 15.221 0.491 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.529 16.584 2.310 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.953 16.447 1.768 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.465 17.783 1.227 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.227 18.154 0.090 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.180 18.483 2.104 1.00 0.00 N ATOM 0 H GLN A 101 -7.956 15.920 3.005 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.529 14.484 2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.558 16.994 3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.968 17.289 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.974 15.698 0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.614 16.093 2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.342 18.113 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.566 19.389 1.839 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.204 14.087 0.238 1.00 0.00 N ATOM 1580 CA ALA A 102 -9.897 13.641 -1.110 1.00 0.00 C ATOM 1581 C ALA A 102 -10.731 14.444 -2.110 1.00 0.00 C ATOM 1582 O ALA A 102 -11.406 15.402 -1.734 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.147 12.136 -1.219 1.00 0.00 C ATOM 0 H ALA A 102 -11.106 13.774 0.596 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.846 13.815 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.917 11.801 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.510 11.609 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.193 11.924 -0.996 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.657 14.025 -3.365 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.397 14.693 -4.422 1.00 0.00 C ATOM 1591 C ASN A 103 -12.784 14.061 -4.547 1.00 0.00 C ATOM 1592 O ASN A 103 -13.796 14.729 -4.342 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.687 14.545 -5.769 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.823 15.771 -6.072 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.136 16.589 -6.922 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.721 15.853 -5.331 1.00 0.00 N ATOM 0 H ASN A 103 -10.096 13.231 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.469 15.750 -4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.064 13.650 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.425 14.411 -6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.079 16.635 -5.457 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.519 15.134 -4.637 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.787 12.779 -4.883 1.00 0.00 N ATOM 1604 CA ASP A 104 -14.033 12.049 -5.037 1.00 0.00 C ATOM 1605 C ASP A 104 -14.117 10.959 -3.966 1.00 0.00 C ATOM 1606 O ASP A 104 -13.509 11.080 -2.904 1.00 0.00 O ATOM 1607 CB ASP A 104 -14.109 11.371 -6.407 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.588 12.213 -7.574 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -12.386 12.554 -7.536 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -14.404 12.495 -8.478 1.00 0.00 O ATOM 0 H ASP A 104 -11.946 12.228 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.854 12.760 -4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.542 10.441 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.147 11.103 -6.606 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.876 9.920 -4.283 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.047 8.810 -3.360 1.00 0.00 C ATOM 1617 C GLN A 105 -13.982 7.741 -3.612 1.00 0.00 C ATOM 1618 O GLN A 105 -13.647 6.969 -2.715 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.454 8.219 -3.470 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.502 6.807 -2.882 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.890 6.187 -3.058 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.599 6.450 -4.016 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.236 5.350 -2.084 1.00 0.00 N ATOM 0 H GLN A 105 -15.379 9.823 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.924 9.185 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.164 8.859 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.761 8.192 -4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.755 6.180 -3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.247 6.841 -1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.595 5.174 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.143 4.884 -2.110 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.478 7.731 -4.838 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.458 6.769 -5.219 1.00 0.00 C ATOM 1634 C LYS A 106 -11.157 7.094 -4.482 1.00 0.00 C ATOM 1635 O LYS A 106 -10.729 6.340 -3.610 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.307 6.723 -6.741 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.500 6.017 -7.389 1.00 0.00 C ATOM 1638 CD LYS A 106 -13.161 5.559 -8.809 1.00 0.00 C ATOM 1639 CE LYS A 106 -14.207 4.572 -9.331 1.00 0.00 C ATOM 1640 NZ LYS A 106 -13.587 3.256 -9.603 1.00 0.00 N ATOM 0 H LYS A 106 -13.757 8.373 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.752 5.763 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.223 7.737 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.386 6.203 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.790 5.157 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.356 6.691 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.109 6.423 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.177 5.090 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.007 4.460 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.661 4.962 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.310 2.598 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.840 3.365 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.175 2.879 -8.726 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.564 8.217 -4.860 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.320 8.650 -4.246 1.00 0.00 C ATOM 1656 C ASP A 107 -9.395 8.418 -2.736 1.00 0.00 C ATOM 1657 O ASP A 107 -8.475 7.854 -2.145 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.079 10.142 -4.484 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.620 10.529 -4.732 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.876 9.654 -5.224 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.282 11.693 -4.425 1.00 0.00 O ATOM 0 H ASP A 107 -10.922 8.840 -5.584 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.506 8.078 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.674 10.459 -5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.444 10.696 -3.620 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.498 8.865 -2.154 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.704 8.714 -0.724 1.00 0.00 C ATOM 1668 C LEU A 108 -10.457 7.256 -0.329 1.00 0.00 C ATOM 1669 O LEU A 108 -9.516 6.959 0.405 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.087 9.233 -0.324 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.610 8.769 1.037 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.251 7.383 0.933 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.504 8.811 2.093 1.00 0.00 C ATOM 0 H LEU A 108 -11.259 9.332 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.988 9.321 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.059 10.323 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.802 8.929 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.388 9.461 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.615 7.076 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.085 7.419 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.511 6.665 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.903 8.476 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.687 8.155 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.133 9.831 2.191 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.319 6.386 -0.834 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.206 4.966 -0.543 1.00 0.00 C ATOM 1687 C LYS A 109 -9.803 4.483 -0.918 1.00 0.00 C ATOM 1688 O LYS A 109 -9.100 3.906 -0.091 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.329 4.188 -1.231 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.299 3.602 -0.203 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.328 2.074 -0.285 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.760 1.546 -0.181 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.319 1.296 -1.528 1.00 0.00 N ATOM 0 H LYS A 109 -12.098 6.636 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.331 4.784 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.869 4.847 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.904 3.386 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.002 3.910 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.300 3.998 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.884 1.748 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.722 1.652 0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.773 0.625 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.382 2.267 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.291 0.938 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.325 2.183 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.734 0.591 -2.021 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.438 4.738 -2.166 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.132 4.337 -2.661 1.00 0.00 C ATOM 1709 C ASP A 110 -7.065 4.707 -1.629 1.00 0.00 C ATOM 1710 O ASP A 110 -6.377 3.834 -1.102 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.794 5.054 -3.969 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.266 4.151 -5.085 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -6.638 3.127 -4.737 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -7.502 4.503 -6.260 1.00 0.00 O ATOM 0 H ASP A 110 -10.024 5.218 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.153 3.261 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.688 5.564 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.050 5.823 -3.762 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.961 6.002 -1.371 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.989 6.499 -0.412 1.00 0.00 C ATOM 1721 C TRP A 111 -6.058 5.611 0.833 1.00 0.00 C ATOM 1722 O TRP A 111 -5.070 4.978 1.203 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.228 7.978 -0.105 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.411 8.934 -0.977 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.854 9.756 -1.939 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.983 9.136 -0.927 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.820 10.469 -2.510 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.646 10.080 -1.875 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.008 8.540 -0.107 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.332 10.512 -2.094 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.700 8.983 -0.338 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.344 9.933 -1.289 1.00 0.00 C ATOM 0 H TRP A 111 -7.534 6.723 -1.810 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.981 6.447 -0.822 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.287 8.199 -0.235 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -5.990 8.164 0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.890 9.848 -2.230 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.902 11.155 -3.260 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.249 7.800 0.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.094 11.252 -2.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.912 8.557 0.265 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.310 10.223 -1.406 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.233 5.594 1.444 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.443 4.795 2.639 1.00 0.00 C ATOM 1745 C VAL A 112 -6.854 3.400 2.425 1.00 0.00 C ATOM 1746 O VAL A 112 -6.058 2.927 3.235 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.931 4.767 2.995 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.187 3.880 4.215 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.467 6.182 3.223 1.00 0.00 C ATOM 0 H VAL A 112 -8.050 6.121 1.134 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.927 5.239 3.490 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.469 4.337 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.252 3.878 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.860 2.863 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.631 4.267 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.526 6.134 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.921 6.650 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.336 6.771 2.315 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.266 2.779 1.329 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.789 1.448 0.998 1.00 0.00 C ATOM 1761 C GLU A 113 -5.259 1.418 0.994 1.00 0.00 C ATOM 1762 O GLU A 113 -4.651 0.537 1.601 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.349 0.983 -0.348 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.870 1.147 -0.395 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.547 -0.149 -0.844 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.283 -0.558 -1.996 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.314 -0.701 -0.026 1.00 0.00 O ATOM 0 H GLU A 113 -7.926 3.174 0.659 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.145 0.756 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.893 1.558 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.087 -0.062 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.239 1.432 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.131 1.954 -1.079 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.682 2.391 0.305 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.235 2.487 0.215 1.00 0.00 C ATOM 1776 C ALA A 114 -2.654 2.696 1.615 1.00 0.00 C ATOM 1777 O ALA A 114 -1.698 2.025 2.000 1.00 0.00 O ATOM 1778 CB ALA A 114 -2.857 3.614 -0.748 1.00 0.00 C ATOM 0 H ALA A 114 -5.190 3.120 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.813 1.564 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.771 3.686 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.269 3.403 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.261 4.557 -0.381 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.255 3.630 2.337 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.810 3.936 3.685 1.00 0.00 C ATOM 1786 C LEU A 115 -3.118 2.750 4.601 1.00 0.00 C ATOM 1787 O LEU A 115 -2.618 2.682 5.723 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.417 5.257 4.163 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.245 6.453 3.225 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.201 7.587 3.601 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.788 6.918 3.190 1.00 0.00 C ATOM 0 H LEU A 115 -4.047 4.185 2.013 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.730 4.083 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.483 5.104 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.974 5.510 5.126 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.505 6.135 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.058 8.425 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.230 7.234 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.997 7.911 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.694 7.769 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.476 7.213 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.155 6.104 2.837 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.939 1.846 4.089 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.320 0.666 4.847 1.00 0.00 C ATOM 1805 C ASN A 116 -3.324 -0.461 4.563 1.00 0.00 C ATOM 1806 O ASN A 116 -3.156 -1.365 5.379 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.713 0.178 4.444 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.697 0.308 5.609 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -7.040 -0.654 6.276 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.131 1.548 5.814 1.00 0.00 N ATOM 0 H ASN A 116 -4.351 1.906 3.158 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.323 0.931 5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.073 0.756 3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.659 -0.862 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.792 1.739 6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -6.803 2.308 5.218 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.691 -0.369 3.403 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.717 -1.369 3.001 1.00 0.00 C ATOM 1819 C GLN A 117 -0.316 -0.962 3.464 1.00 0.00 C ATOM 1820 O GLN A 117 0.328 -1.690 4.217 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.751 -1.592 1.488 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.039 -2.303 1.067 1.00 0.00 C ATOM 1823 CD GLN A 117 -2.984 -2.710 -0.407 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -3.106 -1.896 -1.307 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -2.795 -4.012 -0.602 1.00 0.00 N ATOM 0 H GLN A 117 -2.834 0.383 2.729 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.977 -2.313 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.676 -0.634 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.888 -2.185 1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.190 -3.187 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.893 -1.646 1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.701 -4.639 0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.744 -4.384 -1.551 1.00 0.00 H new ATOM 1834 N ALA A 118 0.113 0.199 2.993 1.00 0.00 N ATOM 1835 CA ALA A 118 1.425 0.712 3.349 1.00 0.00 C ATOM 1836 C ALA A 118 1.604 0.634 4.866 1.00 0.00 C ATOM 1837 O ALA A 118 2.722 0.477 5.356 1.00 0.00 O ATOM 1838 CB ALA A 118 1.578 2.138 2.816 1.00 0.00 C ATOM 0 H ALA A 118 -0.425 0.799 2.368 1.00 0.00 H new ATOM 0 HA ALA A 118 2.210 0.108 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.562 2.523 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.472 2.134 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.809 2.774 3.253 1.00 0.00 H new ATOM 1844 N SER A 119 0.486 0.747 5.568 1.00 0.00 N ATOM 1845 CA SER A 119 0.505 0.692 7.020 1.00 0.00 C ATOM 1846 C SER A 119 0.749 -0.745 7.486 1.00 0.00 C ATOM 1847 O SER A 119 1.583 -0.987 8.356 1.00 0.00 O ATOM 1848 CB SER A 119 -0.801 1.226 7.609 1.00 0.00 C ATOM 1849 OG SER A 119 -1.941 0.562 7.071 1.00 0.00 O ATOM 0 H SER A 119 -0.439 0.876 5.158 1.00 0.00 H new ATOM 0 HA SER A 119 1.318 1.326 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.787 1.103 8.692 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.877 2.295 7.411 1.00 0.00 H new ATOM 0 HG SER A 119 -2.426 1.173 6.478 1.00 0.00 H new