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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 116 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.49) USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 GLN : amide:sc= -0.96 K(o=-0.96,f=-0.45) USER MOD Set 3.1: A 18 CYS SG : rot 180:sc= 0.0395 USER MOD Set 3.2: A 36 TYR OH : rot -92:sc= 0.0398 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.726 K(o=-0.73,f=-5.9!) USER MOD Single : A 45 CYS SG : rot -20:sc= -1.32! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -121:sc= -0.875 (180deg=-5.38!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.325 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= -0.14 USER MOD Single : A 88 CYS SG : rot -58:sc= -1.72 USER MOD Single : A 92 ASN : amide:sc=-0.00704 X(o=-0.007,f=-0.14) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,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 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 2.136 2.551 -5.160 1.00 0.00 N ATOM 202 CA ARG A 16 2.306 3.990 -5.052 1.00 0.00 C ATOM 203 C ARG A 16 1.031 4.710 -5.499 1.00 0.00 C ATOM 204 O ARG A 16 0.581 4.538 -6.630 1.00 0.00 O ATOM 205 CB ARG A 16 3.480 4.472 -5.906 1.00 0.00 C ATOM 206 CG ARG A 16 4.037 5.795 -5.376 1.00 0.00 C ATOM 207 CD ARG A 16 5.541 5.902 -5.638 1.00 0.00 C ATOM 208 NE ARG A 16 5.801 5.913 -7.095 1.00 0.00 N ATOM 209 CZ ARG A 16 6.909 6.417 -7.656 1.00 0.00 C ATOM 210 NH1 ARG A 16 7.866 6.953 -6.887 1.00 0.00 N ATOM 211 NH2 ARG A 16 7.060 6.384 -8.988 1.00 0.00 N ATOM 0 HA ARG A 16 2.512 4.222 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.266 3.717 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.155 4.598 -6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.521 6.628 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.844 5.872 -4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.934 6.811 -5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.060 5.063 -5.174 1.00 0.00 H new ATOM 0 HE ARG A 16 5.093 5.512 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.752 6.978 -5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.709 7.336 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.332 5.975 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.903 6.767 -9.415 1.00 0.00 H new ATOM 225 N ILE A 17 0.486 5.501 -4.587 1.00 0.00 N ATOM 226 CA ILE A 17 -0.727 6.248 -4.872 1.00 0.00 C ATOM 227 C ILE A 17 -0.448 7.744 -4.719 1.00 0.00 C ATOM 228 O ILE A 17 0.252 8.158 -3.797 1.00 0.00 O ATOM 229 CB ILE A 17 -1.882 5.746 -4.003 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.233 6.104 -4.626 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.756 6.265 -2.570 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.325 5.140 -4.159 1.00 0.00 C ATOM 0 H ILE A 17 0.862 5.641 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.040 6.086 -5.903 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.827 4.658 -3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.504 7.124 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.156 6.073 -5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.589 5.893 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.818 5.917 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.771 7.355 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.275 5.417 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.063 4.124 -4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.416 5.192 -3.074 1.00 0.00 H new ATOM 244 N CYS A 18 -1.011 8.516 -5.638 1.00 0.00 N ATOM 245 CA CYS A 18 -0.831 9.957 -5.617 1.00 0.00 C ATOM 246 C CYS A 18 -2.203 10.615 -5.778 1.00 0.00 C ATOM 247 O CYS A 18 -3.111 10.028 -6.365 1.00 0.00 O ATOM 248 CB CYS A 18 0.154 10.421 -6.693 1.00 0.00 C ATOM 249 SG CYS A 18 -0.446 9.920 -8.348 1.00 0.00 S ATOM 0 H CYS A 18 -1.592 8.170 -6.402 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.394 10.257 -4.664 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.268 11.504 -6.651 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.138 9.990 -6.508 1.00 0.00 H new ATOM 0 HG CYS A 18 0.396 10.320 -9.254 1.00 0.00 H new ATOM 255 N GLY A 19 -2.311 11.824 -5.247 1.00 0.00 N ATOM 256 CA GLY A 19 -3.557 12.567 -5.325 1.00 0.00 C ATOM 257 C GLY A 19 -3.521 13.795 -4.412 1.00 0.00 C ATOM 258 O GLY A 19 -2.928 13.754 -3.335 1.00 0.00 O ATOM 0 H GLY A 19 -1.556 12.308 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.734 12.879 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.388 11.922 -5.040 1.00 0.00 H new ATOM 262 N PHE A 20 -4.161 14.857 -4.877 1.00 0.00 N ATOM 263 CA PHE A 20 -4.210 16.094 -4.116 1.00 0.00 C ATOM 264 C PHE A 20 -5.209 15.989 -2.962 1.00 0.00 C ATOM 265 O PHE A 20 -6.409 15.837 -3.187 1.00 0.00 O ATOM 266 CB PHE A 20 -4.672 17.192 -5.077 1.00 0.00 C ATOM 267 CG PHE A 20 -3.553 17.768 -5.947 1.00 0.00 C ATOM 268 CD1 PHE A 20 -3.184 17.130 -7.090 1.00 0.00 C ATOM 269 CD2 PHE A 20 -2.927 18.918 -5.578 1.00 0.00 C ATOM 270 CE1 PHE A 20 -2.145 17.665 -7.898 1.00 0.00 C ATOM 271 CE2 PHE A 20 -1.889 19.452 -6.385 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.520 18.814 -7.529 1.00 0.00 C ATOM 0 H PHE A 20 -4.650 14.887 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.229 16.310 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.451 16.790 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.122 18.000 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.681 16.217 -7.383 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.220 19.425 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.852 17.158 -8.806 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.392 20.365 -6.091 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.731 19.221 -8.144 1.00 0.00 H new ATOM 282 N LEU A 21 -4.678 16.075 -1.752 1.00 0.00 N ATOM 283 CA LEU A 21 -5.508 15.991 -0.562 1.00 0.00 C ATOM 284 C LEU A 21 -5.444 17.320 0.193 1.00 0.00 C ATOM 285 O LEU A 21 -4.626 18.181 -0.126 1.00 0.00 O ATOM 286 CB LEU A 21 -5.109 14.782 0.286 1.00 0.00 C ATOM 287 CG LEU A 21 -4.993 13.450 -0.458 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.508 12.340 0.477 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.313 13.087 -1.142 1.00 0.00 C ATOM 0 H LEU A 21 -3.683 16.202 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.551 15.829 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.151 14.996 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.841 14.666 1.085 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.244 13.561 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.434 11.404 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.529 12.603 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.215 12.221 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.203 12.136 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.100 13.001 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.578 13.865 -1.858 1.00 0.00 H new ATOM 301 N ASP A 22 -6.318 17.445 1.181 1.00 0.00 N ATOM 302 CA ASP A 22 -6.371 18.655 1.985 1.00 0.00 C ATOM 303 C ASP A 22 -6.218 18.288 3.462 1.00 0.00 C ATOM 304 O ASP A 22 -7.201 17.978 4.134 1.00 0.00 O ATOM 305 CB ASP A 22 -7.711 19.373 1.812 1.00 0.00 C ATOM 306 CG ASP A 22 -8.088 19.698 0.366 1.00 0.00 C ATOM 307 OD1 ASP A 22 -8.141 18.741 -0.436 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.315 20.897 0.095 1.00 0.00 O ATOM 0 H ASP A 22 -6.995 16.729 1.443 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.565 19.312 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.496 18.754 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.685 20.302 2.382 1.00 0.00 H new ATOM 313 N ILE A 23 -4.977 18.334 3.925 1.00 0.00 N ATOM 314 CA ILE A 23 -4.683 18.010 5.311 1.00 0.00 C ATOM 315 C ILE A 23 -4.896 19.253 6.177 1.00 0.00 C ATOM 316 O ILE A 23 -4.353 20.317 5.885 1.00 0.00 O ATOM 317 CB ILE A 23 -3.282 17.406 5.434 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.007 16.949 6.868 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.218 18.383 4.930 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.774 16.044 6.928 1.00 0.00 C ATOM 0 H ILE A 23 -4.164 18.591 3.365 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.368 17.245 5.678 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.234 16.522 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.856 17.818 7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.874 16.414 7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.232 17.929 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.407 18.618 3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.257 19.299 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.601 15.733 7.958 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.938 15.164 6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.904 16.590 6.562 1.00 0.00 H new ATOM 332 N GLU A 24 -5.686 19.076 7.225 1.00 0.00 N ATOM 333 CA GLU A 24 -5.977 20.170 8.136 1.00 0.00 C ATOM 334 C GLU A 24 -4.679 20.834 8.601 1.00 0.00 C ATOM 335 O GLU A 24 -3.785 20.163 9.114 1.00 0.00 O ATOM 336 CB GLU A 24 -6.803 19.686 9.329 1.00 0.00 C ATOM 337 CG GLU A 24 -7.078 20.830 10.307 1.00 0.00 C ATOM 338 CD GLU A 24 -7.793 20.321 11.560 1.00 0.00 C ATOM 339 OE1 GLU A 24 -7.211 19.437 12.226 1.00 0.00 O ATOM 340 OE2 GLU A 24 -8.905 20.827 11.825 1.00 0.00 O ATOM 0 H GLU A 24 -6.134 18.191 7.464 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.571 20.912 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.747 19.269 8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.272 18.884 9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.139 21.306 10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.688 21.591 9.820 1.00 0.00 H new ATOM 442 N PHE A 32 -7.556 23.793 5.582 1.00 0.00 N ATOM 443 CA PHE A 32 -6.694 22.682 5.217 1.00 0.00 C ATOM 444 C PHE A 32 -5.597 23.135 4.250 1.00 0.00 C ATOM 445 O PHE A 32 -5.761 24.124 3.538 1.00 0.00 O ATOM 446 CB PHE A 32 -7.574 21.643 4.520 1.00 0.00 C ATOM 447 CG PHE A 32 -8.686 21.076 5.404 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.838 21.777 5.581 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.523 19.871 6.013 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.871 21.251 6.402 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.555 19.345 6.834 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.707 20.046 7.011 1.00 0.00 C ATOM 0 HA PHE A 32 -6.213 22.276 6.107 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.022 22.096 3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.945 20.823 4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.967 22.734 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.608 19.314 5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.786 21.807 6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.425 18.388 7.318 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.492 19.646 7.635 1.00 0.00 H new ATOM 462 N LEU A 33 -4.502 22.388 4.257 1.00 0.00 N ATOM 463 CA LEU A 33 -3.379 22.700 3.390 1.00 0.00 C ATOM 464 C LEU A 33 -3.315 21.676 2.256 1.00 0.00 C ATOM 465 O LEU A 33 -2.849 20.554 2.452 1.00 0.00 O ATOM 466 CB LEU A 33 -2.086 22.799 4.202 1.00 0.00 C ATOM 467 CG LEU A 33 -2.097 23.797 5.362 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.682 24.283 5.681 1.00 0.00 C ATOM 469 CD2 LEU A 33 -3.052 24.958 5.077 1.00 0.00 C ATOM 0 H LEU A 33 -4.369 21.568 4.849 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.515 23.678 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.854 21.811 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.275 23.068 3.525 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.469 23.285 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.718 24.991 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.059 23.433 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.259 24.772 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.041 25.653 5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.734 25.477 4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.062 24.573 4.938 1.00 0.00 H new ATOM 481 N ARG A 34 -3.791 22.097 1.093 1.00 0.00 N ATOM 482 CA ARG A 34 -3.794 21.230 -0.073 1.00 0.00 C ATOM 483 C ARG A 34 -2.361 20.943 -0.525 1.00 0.00 C ATOM 484 O ARG A 34 -1.591 21.867 -0.783 1.00 0.00 O ATOM 485 CB ARG A 34 -4.570 21.865 -1.229 1.00 0.00 C ATOM 486 CG ARG A 34 -3.947 23.201 -1.638 1.00 0.00 C ATOM 487 CD ARG A 34 -4.981 24.328 -1.579 1.00 0.00 C ATOM 488 NE ARG A 34 -4.421 25.561 -2.176 1.00 0.00 N ATOM 489 CZ ARG A 34 -5.161 26.598 -2.592 1.00 0.00 C ATOM 490 NH1 ARG A 34 -6.495 26.557 -2.477 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.566 27.676 -3.121 1.00 0.00 N ATOM 0 H ARG A 34 -4.177 23.027 0.933 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.283 20.297 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.578 21.187 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.608 22.019 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.111 23.434 -0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.544 23.125 -2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.884 24.033 -2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.270 24.514 -0.545 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.408 25.626 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.947 25.737 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.059 27.346 -2.793 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.550 27.707 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.129 28.465 -3.438 1.00 0.00 H new ATOM 505 N ARG A 35 -2.046 19.659 -0.608 1.00 0.00 N ATOM 506 CA ARG A 35 -0.719 19.239 -1.024 1.00 0.00 C ATOM 507 C ARG A 35 -0.802 17.944 -1.836 1.00 0.00 C ATOM 508 O ARG A 35 -1.800 17.228 -1.768 1.00 0.00 O ATOM 509 CB ARG A 35 0.193 19.018 0.184 1.00 0.00 C ATOM 510 CG ARG A 35 0.219 20.254 1.085 1.00 0.00 C ATOM 511 CD ARG A 35 1.062 21.369 0.463 1.00 0.00 C ATOM 512 NE ARG A 35 1.250 22.466 1.438 1.00 0.00 N ATOM 513 CZ ARG A 35 0.338 23.416 1.685 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.830 23.410 1.029 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.595 24.373 2.587 1.00 0.00 N ATOM 0 H ARG A 35 -2.687 18.895 -0.394 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.299 20.033 -1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.154 18.156 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.203 18.790 -0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.798 20.610 1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.625 19.988 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.031 20.975 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.573 21.749 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 35 2.129 22.501 1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.025 22.682 0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.524 24.133 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.485 24.378 3.086 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.099 25.096 2.775 1.00 0.00 H new ATOM 529 N TYR A 36 0.259 17.684 -2.585 1.00 0.00 N ATOM 530 CA TYR A 36 0.318 16.488 -3.408 1.00 0.00 C ATOM 531 C TYR A 36 0.949 15.325 -2.641 1.00 0.00 C ATOM 532 O TYR A 36 2.172 15.193 -2.601 1.00 0.00 O ATOM 533 CB TYR A 36 1.211 16.841 -4.600 1.00 0.00 C ATOM 534 CG TYR A 36 1.050 15.902 -5.797 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.150 15.848 -6.476 1.00 0.00 C ATOM 536 CD2 TYR A 36 2.106 15.108 -6.198 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.301 14.964 -7.602 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.955 14.224 -7.325 1.00 0.00 C ATOM 539 CZ TYR A 36 0.759 14.196 -7.971 1.00 0.00 C ATOM 540 OH TYR A 36 0.616 13.361 -9.035 1.00 0.00 O ATOM 0 H TYR A 36 1.084 18.281 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.683 16.181 -3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.989 17.860 -4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.252 16.827 -4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.976 16.469 -6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.045 15.150 -5.667 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.235 14.912 -8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.773 13.598 -7.649 1.00 0.00 H new ATOM 0 HH TYR A 36 0.331 12.477 -8.721 1.00 0.00 H new ATOM 550 N PHE A 37 0.087 14.510 -2.051 1.00 0.00 N ATOM 551 CA PHE A 37 0.545 13.362 -1.287 1.00 0.00 C ATOM 552 C PHE A 37 0.902 12.196 -2.211 1.00 0.00 C ATOM 553 O PHE A 37 0.264 12.000 -3.244 1.00 0.00 O ATOM 554 CB PHE A 37 -0.611 12.941 -0.377 1.00 0.00 C ATOM 555 CG PHE A 37 -0.847 13.883 0.806 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.179 15.183 0.584 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.725 13.420 2.079 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.398 16.057 1.681 1.00 0.00 C ATOM 559 CE2 PHE A 37 -0.944 14.294 3.176 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.276 15.594 2.954 1.00 0.00 C ATOM 0 H PHE A 37 -0.926 14.622 -2.087 1.00 0.00 H new ATOM 0 HA PHE A 37 1.436 13.625 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.524 12.883 -0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.414 11.939 0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.276 15.550 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.462 12.388 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.661 17.089 1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.847 13.927 4.187 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.443 16.259 3.789 1.00 0.00 H new ATOM 570 N ILE A 38 1.920 11.451 -1.805 1.00 0.00 N ATOM 571 CA ILE A 38 2.370 10.310 -2.583 1.00 0.00 C ATOM 572 C ILE A 38 2.758 9.173 -1.635 1.00 0.00 C ATOM 573 O ILE A 38 3.778 9.250 -0.952 1.00 0.00 O ATOM 574 CB ILE A 38 3.490 10.722 -3.540 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.961 11.650 -4.636 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.195 9.494 -4.120 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.110 12.365 -5.350 1.00 0.00 C ATOM 0 H ILE A 38 2.446 11.616 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 38 1.564 9.938 -3.215 1.00 0.00 H new ATOM 0 HB ILE A 38 4.234 11.283 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.382 11.074 -5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.285 12.386 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.987 9.815 -4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.626 8.906 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.475 8.885 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.707 13.018 -6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.672 12.960 -4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.771 11.627 -5.806 1.00 0.00 H new ATOM 589 N LEU A 39 1.923 8.144 -1.624 1.00 0.00 N ATOM 590 CA LEU A 39 2.166 6.993 -0.772 1.00 0.00 C ATOM 591 C LEU A 39 3.312 6.164 -1.356 1.00 0.00 C ATOM 592 O LEU A 39 3.116 5.411 -2.308 1.00 0.00 O ATOM 593 CB LEU A 39 0.875 6.197 -0.565 1.00 0.00 C ATOM 594 CG LEU A 39 0.885 5.191 0.588 1.00 0.00 C ATOM 595 CD1 LEU A 39 1.035 5.902 1.934 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.357 4.298 0.546 1.00 0.00 C ATOM 0 H LEU A 39 1.078 8.084 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 39 2.478 7.314 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.060 6.901 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.650 5.661 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 39 1.753 4.542 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.039 5.164 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.972 6.460 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.201 6.589 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.326 3.592 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.252 4.915 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.379 3.750 -0.396 1.00 0.00 H new ATOM 608 N ASP A 40 4.483 6.331 -0.760 1.00 0.00 N ATOM 609 CA ASP A 40 5.661 5.607 -1.209 1.00 0.00 C ATOM 610 C ASP A 40 5.924 4.433 -0.264 1.00 0.00 C ATOM 611 O ASP A 40 6.195 4.631 0.919 1.00 0.00 O ATOM 612 CB ASP A 40 6.898 6.508 -1.198 1.00 0.00 C ATOM 613 CG ASP A 40 8.156 5.886 -1.807 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.176 4.641 -1.921 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.070 6.669 -2.145 1.00 0.00 O ATOM 0 H ASP A 40 4.642 6.957 0.030 1.00 0.00 H new ATOM 0 HA ASP A 40 5.476 5.259 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.666 7.425 -1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.113 6.792 -0.168 1.00 0.00 H new ATOM 620 N THR A 41 5.833 3.234 -0.822 1.00 0.00 N ATOM 621 CA THR A 41 6.057 2.028 -0.045 1.00 0.00 C ATOM 622 C THR A 41 7.556 1.763 0.108 1.00 0.00 C ATOM 623 O THR A 41 7.975 1.053 1.021 1.00 0.00 O ATOM 624 CB THR A 41 5.304 0.882 -0.722 1.00 0.00 C ATOM 625 OG1 THR A 41 6.148 0.503 -1.806 1.00 0.00 O ATOM 626 CG2 THR A 41 4.014 1.349 -1.401 1.00 0.00 C ATOM 0 H THR A 41 5.607 3.073 -1.804 1.00 0.00 H new ATOM 0 HA THR A 41 5.672 2.134 0.969 1.00 0.00 H new ATOM 0 HB THR A 41 5.069 0.116 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.736 -0.237 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.518 0.497 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.352 1.793 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.252 2.091 -2.164 1.00 0.00 H new ATOM 634 N GLN A 42 8.324 2.348 -0.800 1.00 0.00 N ATOM 635 CA GLN A 42 9.767 2.184 -0.777 1.00 0.00 C ATOM 636 C GLN A 42 10.384 3.056 0.319 1.00 0.00 C ATOM 637 O GLN A 42 11.327 2.641 0.990 1.00 0.00 O ATOM 638 CB GLN A 42 10.377 2.507 -2.143 1.00 0.00 C ATOM 639 CG GLN A 42 9.778 1.619 -3.235 1.00 0.00 C ATOM 640 CD GLN A 42 10.790 1.369 -4.355 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.664 0.523 -4.259 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.622 2.149 -5.419 1.00 0.00 N ATOM 0 H GLN A 42 7.974 2.936 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 42 9.991 1.141 -0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.201 3.555 -2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.457 2.365 -2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.465 0.668 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.886 2.092 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.869 2.837 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.246 2.059 -6.221 1.00 0.00 H new ATOM 651 N ALA A 43 9.826 4.249 0.465 1.00 0.00 N ATOM 652 CA ALA A 43 10.309 5.183 1.468 1.00 0.00 C ATOM 653 C ALA A 43 9.720 4.812 2.830 1.00 0.00 C ATOM 654 O ALA A 43 10.354 5.021 3.863 1.00 0.00 O ATOM 655 CB ALA A 43 9.954 6.611 1.048 1.00 0.00 C ATOM 0 H ALA A 43 9.044 4.590 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 43 11.394 5.128 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.316 7.312 1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.421 6.835 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.872 6.705 0.956 1.00 0.00 H new ATOM 661 N ASN A 44 8.513 4.267 2.788 1.00 0.00 N ATOM 662 CA ASN A 44 7.831 3.864 4.007 1.00 0.00 C ATOM 663 C ASN A 44 7.383 5.112 4.771 1.00 0.00 C ATOM 664 O ASN A 44 7.183 5.062 5.984 1.00 0.00 O ATOM 665 CB ASN A 44 8.760 3.060 4.918 1.00 0.00 C ATOM 666 CG ASN A 44 7.960 2.249 5.939 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.761 2.057 5.816 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.687 1.784 6.951 1.00 0.00 N ATOM 0 H ASN A 44 7.990 4.095 1.930 1.00 0.00 H new ATOM 0 HA ASN A 44 6.977 3.246 3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.374 2.390 4.317 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.440 3.735 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.245 1.230 7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.687 1.981 6.994 1.00 0.00 H new ATOM 675 N CYS A 45 7.239 6.201 4.031 1.00 0.00 N ATOM 676 CA CYS A 45 6.819 7.459 4.623 1.00 0.00 C ATOM 677 C CYS A 45 6.010 8.235 3.582 1.00 0.00 C ATOM 678 O CYS A 45 6.274 8.132 2.384 1.00 0.00 O ATOM 679 CB CYS A 45 8.011 8.268 5.139 1.00 0.00 C ATOM 680 SG CYS A 45 9.100 7.201 6.151 1.00 0.00 S ATOM 0 H CYS A 45 7.406 6.238 3.025 1.00 0.00 H new ATOM 0 HA CYS A 45 6.194 7.262 5.494 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.571 8.682 4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.659 9.111 5.734 1.00 0.00 H new ATOM 0 HG CYS A 45 8.436 6.157 6.549 1.00 0.00 H new ATOM 686 N LEU A 46 5.043 8.993 4.075 1.00 0.00 N ATOM 687 CA LEU A 46 4.194 9.786 3.202 1.00 0.00 C ATOM 688 C LEU A 46 4.799 11.182 3.040 1.00 0.00 C ATOM 689 O LEU A 46 5.040 11.876 4.026 1.00 0.00 O ATOM 690 CB LEU A 46 2.754 9.796 3.718 1.00 0.00 C ATOM 691 CG LEU A 46 1.691 10.284 2.732 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.188 11.500 1.948 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.240 9.151 1.808 1.00 0.00 C ATOM 0 H LEU A 46 4.828 9.075 5.069 1.00 0.00 H new ATOM 0 HA LEU A 46 4.148 9.340 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.494 8.785 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.712 10.425 4.607 1.00 0.00 H new ATOM 0 HG LEU A 46 0.817 10.603 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.414 11.827 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.420 12.309 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.085 11.231 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.484 9.524 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.095 8.779 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.819 8.341 2.404 1.00 0.00 H new ATOM 705 N LEU A 47 5.027 11.552 1.788 1.00 0.00 N ATOM 706 CA LEU A 47 5.599 12.853 1.484 1.00 0.00 C ATOM 707 C LEU A 47 4.641 13.626 0.576 1.00 0.00 C ATOM 708 O LEU A 47 4.256 13.138 -0.486 1.00 0.00 O ATOM 709 CB LEU A 47 7.006 12.697 0.905 1.00 0.00 C ATOM 710 CG LEU A 47 7.924 11.710 1.629 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.737 10.884 0.630 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.818 12.432 2.638 1.00 0.00 C ATOM 0 H LEU A 47 4.826 10.973 0.972 1.00 0.00 H new ATOM 0 HA LEU A 47 5.718 13.440 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.917 12.383 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.487 13.675 0.903 1.00 0.00 H new ATOM 0 HG LEU A 47 7.302 11.014 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.381 10.190 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.060 10.323 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.350 11.549 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.460 11.708 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.434 13.166 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.197 12.938 3.377 1.00 0.00 H new ATOM 724 N TRP A 48 4.285 14.821 1.025 1.00 0.00 N ATOM 725 CA TRP A 48 3.380 15.667 0.266 1.00 0.00 C ATOM 726 C TRP A 48 4.122 16.959 -0.084 1.00 0.00 C ATOM 727 O TRP A 48 4.751 17.570 0.779 1.00 0.00 O ATOM 728 CB TRP A 48 2.082 15.913 1.037 1.00 0.00 C ATOM 729 CG TRP A 48 2.280 16.621 2.379 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.500 17.924 2.599 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.266 16.007 3.685 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.629 18.194 3.946 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.482 16.992 4.628 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.077 14.665 4.058 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.529 16.738 6.004 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.127 14.428 5.437 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.344 15.408 6.398 1.00 0.00 C ATOM 0 H TRP A 48 4.607 15.223 1.905 1.00 0.00 H new ATOM 0 HA TRP A 48 3.079 15.176 -0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.412 16.510 0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.588 14.957 1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.568 18.669 1.820 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.801 19.108 4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.907 13.879 3.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.699 17.526 6.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.987 13.413 5.778 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.370 15.144 7.445 1.00 0.00 H new ATOM 748 N TYR A 49 4.023 17.336 -1.350 1.00 0.00 N ATOM 749 CA TYR A 49 4.677 18.544 -1.823 1.00 0.00 C ATOM 750 C TYR A 49 3.650 19.568 -2.311 1.00 0.00 C ATOM 751 O TYR A 49 2.691 19.213 -2.994 1.00 0.00 O ATOM 752 CB TYR A 49 5.552 18.115 -3.003 1.00 0.00 C ATOM 753 CG TYR A 49 6.450 16.913 -2.707 1.00 0.00 C ATOM 754 CD1 TYR A 49 7.612 17.082 -1.982 1.00 0.00 C ATOM 755 CD2 TYR A 49 6.099 15.660 -3.165 1.00 0.00 C ATOM 756 CE1 TYR A 49 8.458 15.951 -1.703 1.00 0.00 C ATOM 757 CE2 TYR A 49 6.945 14.528 -2.886 1.00 0.00 C ATOM 758 CZ TYR A 49 8.083 14.729 -2.169 1.00 0.00 C ATOM 759 OH TYR A 49 8.882 13.661 -1.906 1.00 0.00 O ATOM 0 H TYR A 49 3.500 16.827 -2.062 1.00 0.00 H new ATOM 0 HA TYR A 49 5.253 19.008 -1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.909 17.876 -3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.176 18.956 -3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.887 18.063 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.190 15.528 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.370 16.070 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.681 13.542 -3.238 1.00 0.00 H new ATOM 0 HH TYR A 49 8.489 12.854 -2.299 1.00 0.00 H new ATOM 769 N MET A 50 3.887 20.818 -1.941 1.00 0.00 N ATOM 770 CA MET A 50 2.994 21.896 -2.332 1.00 0.00 C ATOM 771 C MET A 50 2.454 21.675 -3.746 1.00 0.00 C ATOM 772 O MET A 50 1.285 21.945 -4.018 1.00 0.00 O ATOM 773 CB MET A 50 3.746 23.228 -2.274 1.00 0.00 C ATOM 774 CG MET A 50 3.884 23.717 -0.831 1.00 0.00 C ATOM 775 SD MET A 50 3.393 25.429 -0.718 1.00 0.00 S ATOM 776 CE MET A 50 1.623 25.237 -0.598 1.00 0.00 C ATOM 0 H MET A 50 4.684 21.108 -1.375 1.00 0.00 H new ATOM 0 HA MET A 50 2.151 21.914 -1.641 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.734 23.111 -2.718 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.217 23.975 -2.866 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.266 23.108 -0.171 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.915 23.603 -0.497 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.143 25.763 -1.423 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.368 24.178 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.275 25.652 0.348 1.00 0.00 H new ATOM 786 N ASP A 51 3.331 21.185 -4.610 1.00 0.00 N ATOM 787 CA ASP A 51 2.957 20.925 -5.990 1.00 0.00 C ATOM 788 C ASP A 51 3.685 19.673 -6.483 1.00 0.00 C ATOM 789 O ASP A 51 4.660 19.237 -5.874 1.00 0.00 O ATOM 790 CB ASP A 51 3.353 22.091 -6.898 1.00 0.00 C ATOM 791 CG ASP A 51 2.207 23.025 -7.289 1.00 0.00 C ATOM 792 OD1 ASP A 51 1.272 23.150 -6.468 1.00 0.00 O ATOM 793 OD2 ASP A 51 2.290 23.592 -8.399 1.00 0.00 O ATOM 0 H ASP A 51 4.299 20.961 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 51 1.876 20.791 -6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.124 22.676 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.800 21.688 -7.807 1.00 0.00 H new ATOM 936 N VAL A 63 7.156 19.545 1.953 1.00 0.00 N ATOM 937 CA VAL A 63 6.508 20.510 2.826 1.00 0.00 C ATOM 938 C VAL A 63 6.011 19.798 4.085 1.00 0.00 C ATOM 939 O VAL A 63 5.610 20.445 5.052 1.00 0.00 O ATOM 940 CB VAL A 63 5.394 21.235 2.069 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.346 20.245 1.555 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.748 22.312 2.943 1.00 0.00 C ATOM 0 HA VAL A 63 7.217 21.275 3.144 1.00 0.00 H new ATOM 0 HB VAL A 63 5.842 21.728 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.565 20.786 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.819 19.531 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.906 19.711 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.959 22.812 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.322 21.850 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.502 23.042 3.238 1.00 0.00 H new ATOM 952 N GLY A 64 6.052 18.475 4.034 1.00 0.00 N ATOM 953 CA GLY A 64 5.610 17.668 5.159 1.00 0.00 C ATOM 954 C GLY A 64 5.769 16.176 4.859 1.00 0.00 C ATOM 955 O GLY A 64 5.573 15.742 3.725 1.00 0.00 O ATOM 0 H GLY A 64 6.385 17.941 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.187 17.928 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.566 17.889 5.382 1.00 0.00 H new ATOM 959 N SER A 65 6.124 15.431 5.896 1.00 0.00 N ATOM 960 CA SER A 65 6.312 13.997 5.759 1.00 0.00 C ATOM 961 C SER A 65 5.544 13.261 6.858 1.00 0.00 C ATOM 962 O SER A 65 5.160 13.861 7.861 1.00 0.00 O ATOM 963 CB SER A 65 7.796 13.629 5.811 1.00 0.00 C ATOM 964 OG SER A 65 8.319 13.705 7.134 1.00 0.00 O ATOM 0 H SER A 65 6.286 15.794 6.835 1.00 0.00 H new ATOM 0 HA SER A 65 5.924 13.692 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.933 12.619 5.425 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.358 14.298 5.160 1.00 0.00 H new ATOM 0 HG SER A 65 9.268 13.461 7.125 1.00 0.00 H new ATOM 970 N LEU A 66 5.342 11.971 6.632 1.00 0.00 N ATOM 971 CA LEU A 66 4.626 11.147 7.591 1.00 0.00 C ATOM 972 C LEU A 66 5.168 9.717 7.532 1.00 0.00 C ATOM 973 O LEU A 66 4.841 8.963 6.617 1.00 0.00 O ATOM 974 CB LEU A 66 3.117 11.242 7.358 1.00 0.00 C ATOM 975 CG LEU A 66 2.309 11.922 8.465 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.832 12.027 8.081 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.504 11.207 9.804 1.00 0.00 C ATOM 0 H LEU A 66 5.662 11.476 5.799 1.00 0.00 H new ATOM 0 HA LEU A 66 4.792 11.511 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.946 11.782 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.727 10.234 7.218 1.00 0.00 H new ATOM 0 HG LEU A 66 2.683 12.939 8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.281 12.514 8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.734 12.613 7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.427 11.029 7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.919 11.710 10.574 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.173 10.172 9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.559 11.229 10.078 1.00 0.00 H new ATOM 989 N GLN A 67 5.986 9.388 8.520 1.00 0.00 N ATOM 990 CA GLN A 67 6.577 8.062 8.593 1.00 0.00 C ATOM 991 C GLN A 67 5.501 7.018 8.901 1.00 0.00 C ATOM 992 O GLN A 67 4.901 7.038 9.975 1.00 0.00 O ATOM 993 CB GLN A 67 7.698 8.017 9.633 1.00 0.00 C ATOM 994 CG GLN A 67 8.765 9.072 9.335 1.00 0.00 C ATOM 995 CD GLN A 67 8.527 10.340 10.159 1.00 0.00 C ATOM 996 OE1 GLN A 67 8.752 10.383 11.358 1.00 0.00 O ATOM 997 NE2 GLN A 67 8.063 11.366 9.452 1.00 0.00 N ATOM 0 H GLN A 67 6.254 10.017 9.277 1.00 0.00 H new ATOM 0 HA GLN A 67 7.017 7.828 7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.284 8.185 10.627 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.153 7.026 9.640 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.753 8.669 9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.753 9.317 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.897 11.262 8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.873 12.257 9.911 1.00 0.00 H new ATOM 1006 N LEU A 68 5.289 6.131 7.939 1.00 0.00 N ATOM 1007 CA LEU A 68 4.297 5.082 8.094 1.00 0.00 C ATOM 1008 C LEU A 68 4.477 4.413 9.458 1.00 0.00 C ATOM 1009 O LEU A 68 3.527 3.863 10.014 1.00 0.00 O ATOM 1010 CB LEU A 68 4.360 4.106 6.917 1.00 0.00 C ATOM 1011 CG LEU A 68 4.140 4.713 5.530 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.067 3.622 4.460 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.903 5.614 5.516 1.00 0.00 C ATOM 0 H LEU A 68 5.788 6.118 7.049 1.00 0.00 H new ATOM 0 HA LEU A 68 3.292 5.503 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.334 3.617 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.612 3.329 7.075 1.00 0.00 H new ATOM 0 HG LEU A 68 4.998 5.341 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.910 4.080 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.000 3.058 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.239 2.949 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.769 6.033 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.024 5.029 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.034 6.423 6.235 1.00 0.00 H new ATOM 1025 N THR A 69 5.702 4.482 9.958 1.00 0.00 N ATOM 1026 CA THR A 69 6.019 3.889 11.246 1.00 0.00 C ATOM 1027 C THR A 69 5.057 4.402 12.320 1.00 0.00 C ATOM 1028 O THR A 69 4.907 3.782 13.372 1.00 0.00 O ATOM 1029 CB THR A 69 7.488 4.186 11.555 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.528 5.600 11.725 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.401 3.928 10.355 1.00 0.00 C ATOM 0 H THR A 69 6.487 4.940 9.494 1.00 0.00 H new ATOM 0 HA THR A 69 5.888 2.807 11.226 1.00 0.00 H new ATOM 0 HB THR A 69 7.813 3.575 12.397 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.445 5.879 11.930 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.432 4.154 10.627 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.325 2.882 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.097 4.564 9.523 1.00 0.00 H new ATOM 1039 N TYR A 70 4.431 5.530 12.018 1.00 0.00 N ATOM 1040 CA TYR A 70 3.488 6.133 12.944 1.00 0.00 C ATOM 1041 C TYR A 70 2.075 5.592 12.719 1.00 0.00 C ATOM 1042 O TYR A 70 1.471 5.024 13.628 1.00 0.00 O ATOM 1043 CB TYR A 70 3.500 7.633 12.642 1.00 0.00 C ATOM 1044 CG TYR A 70 4.638 8.396 13.323 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.942 7.972 13.169 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.360 9.508 14.092 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.013 8.690 13.811 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.431 10.226 14.734 1.00 0.00 C ATOM 1049 CZ TYR A 70 6.704 9.781 14.562 1.00 0.00 C ATOM 1050 OH TYR A 70 7.716 10.459 15.168 1.00 0.00 O ATOM 0 H TYR A 70 4.558 6.042 11.145 1.00 0.00 H new ATOM 0 HA TYR A 70 3.768 5.911 13.974 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.575 7.776 11.564 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.549 8.064 12.955 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.160 7.102 12.567 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.339 9.840 14.212 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.038 8.369 13.699 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.227 11.098 15.338 1.00 0.00 H new ATOM 0 HH TYR A 70 7.348 11.216 15.670 1.00 0.00 H new ATOM 1060 N ILE A 71 1.588 5.787 11.502 1.00 0.00 N ATOM 1061 CA ILE A 71 0.257 5.325 11.145 1.00 0.00 C ATOM 1062 C ILE A 71 0.037 3.924 11.720 1.00 0.00 C ATOM 1063 O ILE A 71 0.929 3.079 11.663 1.00 0.00 O ATOM 1064 CB ILE A 71 0.049 5.408 9.632 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.084 6.861 9.152 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.242 4.699 9.216 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.353 7.141 8.345 1.00 0.00 C ATOM 0 H ILE A 71 2.091 6.259 10.751 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.502 5.973 11.584 1.00 0.00 H new ATOM 0 HB ILE A 71 0.874 4.888 9.145 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.794 7.067 8.539 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.038 7.532 10.010 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.366 4.773 8.136 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.190 3.649 9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.091 5.169 9.712 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.353 8.180 8.016 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.228 6.958 8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.383 6.485 7.475 1.00 0.00 H new ATOM 1079 N SER A 72 -1.155 3.722 12.261 1.00 0.00 N ATOM 1080 CA SER A 72 -1.504 2.438 12.846 1.00 0.00 C ATOM 1081 C SER A 72 -2.798 1.912 12.221 1.00 0.00 C ATOM 1082 O SER A 72 -2.908 0.725 11.920 1.00 0.00 O ATOM 1083 CB SER A 72 -1.654 2.547 14.365 1.00 0.00 C ATOM 1084 OG SER A 72 -1.640 1.270 14.996 1.00 0.00 O ATOM 0 H SER A 72 -1.892 4.426 12.307 1.00 0.00 H new ATOM 0 HA SER A 72 -0.696 1.737 12.637 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.846 3.158 14.766 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.587 3.058 14.601 1.00 0.00 H new ATOM 0 HG SER A 72 -1.737 1.383 15.965 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.745 2.822 12.045 1.00 0.00 N ATOM 1091 CA LYS A 73 -5.026 2.465 11.461 1.00 0.00 C ATOM 1092 C LYS A 73 -5.544 3.635 10.622 1.00 0.00 C ATOM 1093 O LYS A 73 -5.350 4.795 10.982 1.00 0.00 O ATOM 1094 CB LYS A 73 -6.002 2.009 12.548 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.436 1.972 12.018 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.792 0.579 11.496 1.00 0.00 C ATOM 1097 CE LYS A 73 -7.595 0.494 9.981 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.248 -0.719 9.440 1.00 0.00 N ATOM 0 H LYS A 73 -3.650 3.806 12.297 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.913 1.615 10.788 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.717 1.019 12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.943 2.685 13.401 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.128 2.255 12.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.551 2.704 11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.170 -0.168 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.827 0.347 11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.011 1.381 9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.530 0.476 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.104 -0.761 8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.832 -1.564 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.267 -0.686 9.646 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.192 3.290 9.520 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.739 4.297 8.627 1.00 0.00 C ATOM 1114 C VAL A 74 -8.212 3.986 8.354 1.00 0.00 C ATOM 1115 O VAL A 74 -8.528 3.155 7.505 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.899 4.377 7.350 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.403 5.490 6.430 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.417 4.567 7.680 1.00 0.00 C ATOM 0 H VAL A 74 -6.351 2.327 9.225 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.695 5.282 9.092 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.006 3.431 6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.788 5.525 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.439 5.293 6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.341 6.447 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.842 4.621 6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.285 5.491 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.066 3.725 8.277 1.00 0.00 H new ATOM 1128 N SER A 75 -9.074 4.670 9.092 1.00 0.00 N ATOM 1129 CA SER A 75 -10.506 4.477 8.941 1.00 0.00 C ATOM 1130 C SER A 75 -11.165 5.782 8.490 1.00 0.00 C ATOM 1131 O SER A 75 -10.597 6.860 8.659 1.00 0.00 O ATOM 1132 CB SER A 75 -11.137 3.988 10.246 1.00 0.00 C ATOM 1133 OG SER A 75 -12.559 4.078 10.219 1.00 0.00 O ATOM 0 H SER A 75 -8.808 5.358 9.796 1.00 0.00 H new ATOM 0 HA SER A 75 -10.669 3.713 8.181 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.843 2.954 10.426 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.752 4.578 11.078 1.00 0.00 H new ATOM 0 HG SER A 75 -12.923 3.755 11.069 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.356 5.642 7.925 1.00 0.00 N ATOM 1140 CA ILE A 76 -13.098 6.797 7.448 1.00 0.00 C ATOM 1141 C ILE A 76 -13.601 7.604 8.646 1.00 0.00 C ATOM 1142 O ILE A 76 -14.218 7.053 9.556 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.209 6.361 6.490 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.674 5.389 5.436 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.893 7.574 5.856 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.469 5.983 4.704 1.00 0.00 C ATOM 0 H ILE A 76 -12.825 4.747 7.787 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.449 7.455 6.869 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.966 5.828 7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.388 4.451 5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.461 5.155 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.678 7.237 5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.330 8.195 6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.159 8.155 5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.108 5.272 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.764 6.908 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.675 6.193 5.421 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.319 8.898 8.607 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.735 9.787 9.678 1.00 0.00 C ATOM 1160 C ALA A 77 -15.255 9.713 9.836 1.00 0.00 C ATOM 1161 O ALA A 77 -15.920 8.960 9.126 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.249 11.207 9.381 1.00 0.00 C ATOM 0 H ALA A 77 -12.807 9.352 7.850 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.290 9.481 10.625 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.561 11.874 10.185 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.161 11.211 9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.678 11.549 8.439 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.014 12.264 1.697 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.820 11.470 1.459 1.00 0.00 C ATOM 1323 C PHE A 87 -13.647 11.980 2.298 1.00 0.00 C ATOM 1324 O PHE A 87 -12.710 12.573 1.766 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.474 11.617 -0.024 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.684 11.877 -0.923 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.614 10.902 -1.110 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -15.830 13.082 -1.536 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.737 11.143 -1.945 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -16.953 13.323 -2.370 1.00 0.00 C ATOM 1331 CZ PHE A 87 -17.883 12.348 -2.557 1.00 0.00 C ATOM 0 HA PHE A 87 -15.003 10.431 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.765 12.436 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.972 10.710 -0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.498 9.945 -0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.091 13.856 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.475 10.369 -2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.069 14.280 -2.856 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.737 12.531 -3.192 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.737 11.731 3.596 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.694 12.158 4.514 1.00 0.00 C ATOM 1343 C CYS A 88 -12.294 10.960 5.377 1.00 0.00 C ATOM 1344 O CYS A 88 -13.139 10.352 6.032 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.141 13.350 5.364 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.257 14.862 4.834 1.00 0.00 S ATOM 0 H CYS A 88 -14.516 11.239 4.034 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.828 12.503 3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.217 13.494 5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.941 13.152 6.417 1.00 0.00 H new ATOM 0 HG CYS A 88 -10.975 14.672 4.931 1.00 0.00 H new ATOM 1352 N PHE A 89 -11.005 10.656 5.350 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.482 9.541 6.122 1.00 0.00 C ATOM 1354 C PHE A 89 -9.513 10.028 7.201 1.00 0.00 C ATOM 1355 O PHE A 89 -8.702 10.920 6.956 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.727 8.636 5.146 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.611 9.346 4.376 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -8.916 10.148 3.321 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -7.314 9.174 4.747 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -7.881 10.806 2.607 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -6.278 9.832 4.033 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.583 10.634 2.978 1.00 0.00 C ATOM 0 H PHE A 89 -10.307 11.162 4.806 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.299 9.015 6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.298 7.800 5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.436 8.216 4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -9.946 10.284 3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.072 8.537 5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.123 11.443 1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.248 9.696 4.328 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.795 11.134 2.435 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.630 9.421 8.373 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.774 9.782 9.491 1.00 0.00 C ATOM 1374 C VAL A 90 -7.620 8.782 9.587 1.00 0.00 C ATOM 1375 O VAL A 90 -7.844 7.577 9.689 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.600 9.867 10.776 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.719 9.657 12.009 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.351 11.197 10.858 1.00 0.00 C ATOM 0 H VAL A 90 -10.304 8.682 8.573 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.337 10.769 9.335 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.339 9.066 10.753 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.331 9.722 12.909 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.251 8.674 11.959 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.946 10.425 12.039 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.930 11.232 11.781 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.636 12.020 10.847 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.023 11.289 10.004 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.409 9.320 9.551 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.219 8.490 9.632 1.00 0.00 C ATOM 1390 C ILE A 91 -4.811 8.333 11.099 1.00 0.00 C ATOM 1391 O ILE A 91 -4.263 9.258 11.696 1.00 0.00 O ATOM 1392 CB ILE A 91 -4.110 9.054 8.742 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.351 8.698 7.274 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.733 8.595 9.225 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.426 9.500 6.357 1.00 0.00 C ATOM 0 H ILE A 91 -6.227 10.320 9.467 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.425 7.490 9.249 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.131 10.141 8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.184 7.632 7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.390 8.898 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.963 9.010 8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.572 8.941 10.246 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.682 7.506 9.199 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.618 9.228 5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.613 10.565 6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.388 9.279 6.604 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.095 7.156 11.636 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.764 6.867 13.021 1.00 0.00 C ATOM 1409 C ASN A 92 -3.298 6.441 13.113 1.00 0.00 C ATOM 1410 O ASN A 92 -2.868 5.526 12.411 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.624 5.724 13.566 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.323 6.134 14.863 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.753 6.775 15.730 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.587 5.728 14.948 1.00 0.00 N ATOM 0 H ASN A 92 -5.550 6.392 11.137 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.948 7.768 13.606 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.368 5.438 12.823 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.000 4.849 13.746 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.140 5.951 15.776 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.004 5.194 14.185 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.569 7.124 13.984 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.160 6.827 14.176 1.00 0.00 C ATOM 1423 C ALA A 93 -0.892 6.590 15.664 1.00 0.00 C ATOM 1424 O ALA A 93 -1.709 5.987 16.357 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.316 7.969 13.606 1.00 0.00 C ATOM 0 H ALA A 93 -2.928 7.882 14.564 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.882 5.918 13.642 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.741 7.747 13.750 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.522 8.078 12.541 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.565 8.897 14.120 1.00 0.00 H new ATOM 1431 N LEU A 94 0.257 7.077 16.110 1.00 0.00 N ATOM 1432 CA LEU A 94 0.643 6.926 17.503 1.00 0.00 C ATOM 1433 C LEU A 94 -0.590 7.098 18.391 1.00 0.00 C ATOM 1434 O LEU A 94 -1.088 6.129 18.963 1.00 0.00 O ATOM 1435 CB LEU A 94 1.788 7.881 17.848 1.00 0.00 C ATOM 1436 CG LEU A 94 2.956 7.912 16.861 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.227 8.435 17.532 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.170 6.538 16.221 1.00 0.00 C ATOM 0 H LEU A 94 0.933 7.576 15.532 1.00 0.00 H new ATOM 0 HA LEU A 94 1.029 5.923 17.685 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.381 8.889 17.931 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.176 7.612 18.831 1.00 0.00 H new ATOM 0 HG LEU A 94 2.706 8.606 16.058 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.042 8.447 16.808 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.054 9.446 17.900 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.492 7.785 18.366 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.006 6.588 15.524 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.388 5.805 16.998 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.268 6.242 15.686 1.00 0.00 H new ATOM 1450 N SER A 95 -1.048 8.338 18.480 1.00 0.00 N ATOM 1451 CA SER A 95 -2.214 8.649 19.289 1.00 0.00 C ATOM 1452 C SER A 95 -2.876 9.932 18.782 1.00 0.00 C ATOM 1453 O SER A 95 -3.327 10.758 19.575 1.00 0.00 O ATOM 1454 CB SER A 95 -1.838 8.794 20.765 1.00 0.00 C ATOM 1455 OG SER A 95 -0.616 9.508 20.937 1.00 0.00 O ATOM 0 H SER A 95 -0.632 9.139 18.005 1.00 0.00 H new ATOM 0 HA SER A 95 -2.921 7.824 19.201 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.638 9.312 21.294 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.747 7.805 21.215 1.00 0.00 H new ATOM 0 HG SER A 95 -0.411 9.581 21.893 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.914 10.059 17.464 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.513 11.228 16.841 1.00 0.00 C ATOM 1463 C GLN A 96 -4.403 10.807 15.670 1.00 0.00 C ATOM 1464 O GLN A 96 -4.463 9.629 15.323 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.439 12.218 16.387 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.516 13.518 17.190 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.414 14.491 16.767 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.455 14.732 17.481 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.603 15.034 15.568 1.00 0.00 N ATOM 0 H GLN A 96 -2.540 9.372 16.810 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.135 11.732 17.581 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.453 11.770 16.507 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.564 12.434 15.326 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.491 13.982 17.044 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.423 13.298 18.254 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.428 14.789 15.021 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.922 15.696 15.195 1.00 0.00 H new ATOM 1478 N ARG A 97 -5.071 11.795 15.092 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.955 11.542 13.967 1.00 0.00 C ATOM 1480 C ARG A 97 -5.878 12.694 12.963 1.00 0.00 C ATOM 1481 O ARG A 97 -6.333 13.801 13.247 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.403 11.374 14.430 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.737 12.359 15.553 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.992 13.167 15.218 1.00 0.00 C ATOM 1485 NE ARG A 97 -9.652 13.617 16.464 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.153 14.553 17.282 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -7.986 15.144 16.992 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -9.821 14.898 18.392 1.00 0.00 N ATOM 0 H ARG A 97 -5.018 12.772 15.382 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.629 10.617 13.491 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.078 11.533 13.589 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.561 10.353 14.778 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.888 11.815 16.485 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.896 13.035 15.711 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.727 14.029 14.605 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.680 12.559 14.631 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.542 13.188 16.715 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.477 14.881 16.148 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.607 15.857 17.615 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.709 14.448 18.613 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.441 15.611 19.015 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.300 12.394 11.809 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.158 13.391 10.761 1.00 0.00 C ATOM 1504 C TYR A 98 -6.372 13.385 9.831 1.00 0.00 C ATOM 1505 O TYR A 98 -6.727 12.347 9.274 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.916 12.990 9.963 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.618 13.025 10.772 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.262 11.944 11.552 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.803 14.138 10.720 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -1.040 11.977 12.314 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.581 14.171 11.482 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.260 13.089 12.241 1.00 0.00 C ATOM 1513 OH TYR A 98 0.894 13.120 12.959 1.00 0.00 O ATOM 0 H TYR A 98 -4.924 11.475 11.577 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.074 14.390 11.190 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.059 11.984 9.569 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.816 13.657 9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.900 11.073 11.591 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.081 14.983 10.108 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.750 11.138 12.929 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.066 15.035 11.451 1.00 0.00 H new ATOM 0 HH TYR A 98 1.349 13.975 12.810 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.976 14.556 9.690 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.143 14.699 8.837 1.00 0.00 C ATOM 1525 C PHE A 99 -7.745 15.178 7.439 1.00 0.00 C ATOM 1526 O PHE A 99 -7.357 16.332 7.262 1.00 0.00 O ATOM 1527 CB PHE A 99 -9.046 15.750 9.485 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.727 15.277 10.771 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.495 14.154 10.761 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.565 15.979 11.924 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -11.127 13.715 11.954 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.198 15.540 13.118 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.965 14.417 13.107 1.00 0.00 C ATOM 0 H PHE A 99 -6.678 15.415 10.153 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.647 13.738 8.733 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.453 16.638 9.705 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.812 16.048 8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.624 13.596 9.845 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.955 16.870 11.932 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.736 12.823 11.946 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.070 16.098 14.034 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.446 14.083 14.015 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.855 14.268 6.483 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.511 14.583 5.107 1.00 0.00 C ATOM 1545 C LEU A 100 -8.778 14.557 4.250 1.00 0.00 C ATOM 1546 O LEU A 100 -9.697 13.784 4.519 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.408 13.650 4.602 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.131 13.605 5.444 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.233 12.540 6.538 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.899 13.403 4.560 1.00 0.00 C ATOM 0 H LEU A 100 -8.178 13.312 6.634 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.100 15.590 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.814 12.640 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.141 13.950 3.589 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.016 14.568 5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.313 12.529 7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.075 12.769 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.385 11.562 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.005 13.375 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.992 12.463 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.821 14.227 3.851 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.787 15.409 3.236 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.926 15.493 2.338 1.00 0.00 C ATOM 1564 C GLN A 101 -9.513 15.102 0.918 1.00 0.00 C ATOM 1565 O GLN A 101 -8.509 15.590 0.403 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.543 16.893 2.364 1.00 0.00 C ATOM 1567 CG GLN A 101 -12.015 16.852 1.950 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.600 18.263 1.863 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.925 19.224 1.533 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.891 18.334 2.177 1.00 0.00 N ATOM 0 H GLN A 101 -8.023 16.048 3.016 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.686 14.791 2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.455 17.314 3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.991 17.550 1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.111 16.355 0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.583 16.263 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.398 17.490 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.374 19.232 2.150 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.309 14.224 0.325 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.039 13.762 -1.026 1.00 0.00 C ATOM 1581 C ALA A 102 -10.914 14.539 -2.011 1.00 0.00 C ATOM 1582 O ALA A 102 -11.777 15.315 -1.602 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.272 12.252 -1.105 1.00 0.00 C ATOM 0 H ALA A 102 -11.141 13.820 0.755 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.999 13.946 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.070 11.905 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.606 11.744 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.307 12.029 -0.845 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.662 14.304 -3.290 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.416 14.972 -4.337 1.00 0.00 C ATOM 1591 C ASN A 103 -12.698 14.186 -4.617 1.00 0.00 C ATOM 1592 O ASN A 103 -13.794 14.743 -4.572 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.611 15.042 -5.637 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.847 16.364 -5.738 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.107 17.197 -6.590 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.892 16.507 -4.824 1.00 0.00 N ATOM 0 H ASN A 103 -9.946 13.660 -3.625 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.641 15.983 -3.997 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.910 14.208 -5.680 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.282 14.939 -6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.324 17.354 -4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.727 15.769 -4.139 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.519 12.904 -4.900 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.648 12.036 -5.187 1.00 0.00 C ATOM 1605 C ASP A 104 -13.764 10.977 -4.089 1.00 0.00 C ATOM 1606 O ASP A 104 -13.029 11.016 -3.103 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.462 11.314 -6.523 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.378 12.229 -7.746 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -13.052 13.418 -7.544 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -13.642 11.718 -8.856 1.00 0.00 O ATOM 0 H ASP A 104 -11.609 12.446 -4.937 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.545 12.654 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.552 10.716 -6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.291 10.621 -6.663 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.692 10.055 -4.296 1.00 0.00 N ATOM 1616 CA GLN A 105 -14.914 8.987 -3.336 1.00 0.00 C ATOM 1617 C GLN A 105 -13.901 7.860 -3.552 1.00 0.00 C ATOM 1618 O GLN A 105 -13.574 7.127 -2.620 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.347 8.459 -3.423 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.458 7.067 -2.799 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.883 6.523 -2.921 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.805 6.970 -2.259 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.011 5.536 -3.803 1.00 0.00 N ATOM 0 H GLN A 105 -15.299 10.025 -5.115 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.771 9.391 -2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.023 9.145 -2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.661 8.420 -4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.762 6.387 -3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.171 7.112 -1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.197 5.209 -4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.923 5.106 -3.958 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.432 7.758 -4.787 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.463 6.734 -5.138 1.00 0.00 C ATOM 1634 C LYS A 106 -11.122 7.059 -4.477 1.00 0.00 C ATOM 1635 O LYS A 106 -10.688 6.354 -3.567 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.378 6.575 -6.657 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.621 5.872 -7.206 1.00 0.00 C ATOM 1638 CD LYS A 106 -13.408 5.436 -8.657 1.00 0.00 C ATOM 1639 CE LYS A 106 -13.469 3.912 -8.786 1.00 0.00 C ATOM 1640 NZ LYS A 106 -13.112 3.494 -10.160 1.00 0.00 N ATOM 0 H LYS A 106 -13.705 8.368 -5.557 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.779 5.763 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.274 7.555 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.488 6.002 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.853 5.002 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.479 6.542 -7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.169 5.889 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.442 5.796 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.786 3.453 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.471 3.560 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.158 2.457 -10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.779 3.917 -10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.147 3.813 -10.380 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.504 8.126 -4.960 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.221 8.553 -4.427 1.00 0.00 C ATOM 1656 C ASP A 107 -9.266 8.503 -2.898 1.00 0.00 C ATOM 1657 O ASP A 107 -8.256 8.230 -2.253 1.00 0.00 O ATOM 1658 CB ASP A 107 -8.902 9.990 -4.844 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.422 10.274 -5.106 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.831 9.514 -5.904 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -6.914 11.244 -4.503 1.00 0.00 O ATOM 0 H ASP A 107 -10.867 8.708 -5.715 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.454 7.885 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.467 10.224 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.253 10.665 -4.064 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.449 8.772 -2.364 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.639 8.761 -0.924 1.00 0.00 C ATOM 1668 C LEU A 108 -10.354 7.357 -0.386 1.00 0.00 C ATOM 1669 O LEU A 108 -9.358 7.143 0.303 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.030 9.287 -0.563 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.548 8.914 0.827 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.443 7.674 0.765 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.392 8.737 1.814 1.00 0.00 C ATOM 0 H LEU A 108 -11.285 8.999 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.933 9.437 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.018 10.374 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.739 8.919 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.162 9.736 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.798 7.431 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.296 7.873 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.874 6.834 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.788 8.472 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.732 7.944 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.831 9.669 1.889 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.246 6.437 -0.722 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.102 5.060 -0.282 1.00 0.00 C ATOM 1687 C LYS A 109 -9.711 4.550 -0.662 1.00 0.00 C ATOM 1688 O LYS A 109 -9.028 3.932 0.153 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.243 4.201 -0.830 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.062 3.586 0.307 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.189 2.071 0.135 1.00 0.00 C ATOM 1692 CE LYS A 109 -13.136 1.359 1.488 1.00 0.00 C ATOM 1693 NZ LYS A 109 -14.021 0.174 1.485 1.00 0.00 N ATOM 0 H LYS A 109 -12.071 6.618 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.179 4.997 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.890 4.810 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.837 3.409 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.588 3.808 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.054 4.037 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.127 1.836 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.385 1.705 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.112 1.055 1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.440 2.045 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.973 -0.297 2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.000 0.472 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.713 -0.487 0.743 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.332 4.827 -1.901 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.034 4.404 -2.399 1.00 0.00 C ATOM 1709 C ASP A 110 -6.957 4.763 -1.373 1.00 0.00 C ATOM 1710 O ASP A 110 -6.278 3.882 -0.847 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.691 5.112 -3.712 1.00 0.00 C ATOM 1712 CG ASP A 110 -8.728 4.949 -4.824 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -9.655 4.135 -4.622 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -8.571 5.643 -5.852 1.00 0.00 O ATOM 0 H ASP A 110 -9.901 5.339 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.072 3.328 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.560 6.175 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.733 4.735 -4.071 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.835 6.057 -1.119 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.852 6.543 -0.166 1.00 0.00 C ATOM 1721 C TRP A 111 -5.920 5.654 1.078 1.00 0.00 C ATOM 1722 O TRP A 111 -4.943 4.995 1.429 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.075 8.024 0.145 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.270 8.975 -0.744 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.729 9.803 -1.693 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.840 9.163 -0.728 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.702 10.508 -2.287 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.517 10.106 -1.682 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -2.851 8.556 0.066 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.205 10.527 -1.931 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.545 8.987 -0.196 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.203 9.935 -1.152 1.00 0.00 C ATOM 0 H TRP A 111 -7.401 6.784 -1.557 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.847 6.482 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.135 8.252 0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -5.814 8.209 1.187 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.771 9.905 -1.959 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.795 11.197 -3.033 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.081 7.816 0.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.978 11.268 -2.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.747 8.551 0.387 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.169 10.214 -1.294 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.084 5.665 1.710 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.293 4.868 2.907 1.00 0.00 C ATOM 1745 C VAL A 112 -6.731 3.463 2.683 1.00 0.00 C ATOM 1746 O VAL A 112 -5.890 2.997 3.451 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.776 4.866 3.283 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.018 4.054 4.557 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.305 6.294 3.434 1.00 0.00 C ATOM 0 H VAL A 112 -7.892 6.213 1.416 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.758 5.301 3.752 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.326 4.389 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.080 4.069 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.697 3.025 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.450 4.489 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.361 6.264 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.747 6.808 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.184 6.828 2.492 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.219 2.826 1.629 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.776 1.483 1.294 1.00 0.00 C ATOM 1761 C GLU A 113 -5.252 1.443 1.171 1.00 0.00 C ATOM 1762 O GLU A 113 -4.597 0.609 1.794 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.444 0.990 0.009 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.964 1.148 0.085 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.667 -0.182 -0.194 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.876 -0.473 -1.391 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -9.981 -0.877 0.797 1.00 0.00 O ATOM 0 H GLU A 113 -7.917 3.215 0.995 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.074 0.811 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.059 1.550 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.192 -0.057 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.247 1.513 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.292 1.896 -0.637 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.731 2.354 0.362 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.296 2.432 0.149 1.00 0.00 C ATOM 1776 C ALA A 114 -2.592 2.589 1.498 1.00 0.00 C ATOM 1777 O ALA A 114 -1.596 1.919 1.765 1.00 0.00 O ATOM 1778 CB ALA A 114 -2.984 3.584 -0.809 1.00 0.00 C ATOM 0 H ALA A 114 -5.277 3.044 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.926 1.516 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.907 3.643 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.484 3.410 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.339 4.521 -0.379 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.138 3.479 2.314 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.575 3.733 3.630 1.00 0.00 C ATOM 1786 C LEU A 115 -2.762 2.494 4.507 1.00 0.00 C ATOM 1787 O LEU A 115 -2.064 2.325 5.506 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.170 5.008 4.231 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.921 6.298 3.447 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -3.935 7.377 3.832 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.479 6.777 3.624 1.00 0.00 C ATOM 0 H LEU A 115 -3.964 4.033 2.089 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.503 3.914 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.246 4.870 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.768 5.134 5.236 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.062 6.087 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.736 8.284 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.943 7.024 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.850 7.593 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.328 7.695 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.286 6.967 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.794 6.010 3.262 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.708 1.659 4.103 1.00 0.00 N ATOM 1804 CA ASN A 116 -3.996 0.440 4.841 1.00 0.00 C ATOM 1805 C ASN A 116 -3.035 -0.662 4.391 1.00 0.00 C ATOM 1806 O ASN A 116 -2.814 -1.631 5.115 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.424 -0.040 4.574 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.334 0.258 5.767 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.086 -0.153 6.889 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.399 0.995 5.463 1.00 0.00 N ATOM 0 H ASN A 116 -4.285 1.802 3.274 1.00 0.00 H new ATOM 0 HA ASN A 116 -3.879 0.653 5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -5.815 0.450 3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.420 -1.111 4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -8.068 1.249 6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.547 1.306 4.503 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.488 -0.476 3.199 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.556 -1.443 2.644 1.00 0.00 C ATOM 1819 C GLN A 117 -0.115 -1.025 2.947 1.00 0.00 C ATOM 1820 O GLN A 117 0.735 -1.870 3.224 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.772 -1.612 1.139 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.194 -2.090 0.840 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.267 -2.772 -0.527 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -3.422 -2.140 -1.559 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -3.147 -4.096 -0.478 1.00 0.00 N ATOM 0 H GLN A 117 -2.672 0.330 2.602 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.741 -2.408 3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.589 -0.664 0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.053 -2.329 0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.518 -2.785 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.879 -1.243 0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.019 -4.564 0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -3.183 -4.643 -1.338 1.00 0.00 H new ATOM 1834 N ALA A 118 0.115 0.279 2.885 1.00 0.00 N ATOM 1835 CA ALA A 118 1.437 0.819 3.149 1.00 0.00 C ATOM 1836 C ALA A 118 1.875 0.417 4.559 1.00 0.00 C ATOM 1837 O ALA A 118 3.064 0.439 4.874 1.00 0.00 O ATOM 1838 CB ALA A 118 1.418 2.336 2.955 1.00 0.00 C ATOM 0 H ALA A 118 -0.593 0.977 2.656 1.00 0.00 H new ATOM 0 HA ALA A 118 2.165 0.410 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.410 2.741 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.130 2.568 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.700 2.782 3.644 1.00 0.00 H new ATOM 1844 N SER A 119 0.890 0.059 5.370 1.00 0.00 N ATOM 1845 CA SER A 119 1.159 -0.347 6.740 1.00 0.00 C ATOM 1846 C SER A 119 0.470 -1.681 7.034 1.00 0.00 C ATOM 1847 O SER A 119 0.543 -2.187 8.153 1.00 0.00 O ATOM 1848 CB SER A 119 0.694 0.721 7.732 1.00 0.00 C ATOM 1849 OG SER A 119 1.687 1.005 8.713 1.00 0.00 O ATOM 0 H SER A 119 -0.095 0.042 5.105 1.00 0.00 H new ATOM 0 HA SER A 119 2.236 -0.468 6.857 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.446 1.635 7.192 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.218 0.385 8.226 1.00 0.00 H new ATOM 0 HG SER A 119 1.353 1.692 9.327 1.00 0.00 H new