USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 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 775 HIS : no HE2:sc= 0.974 K(o=0.16,f=-5.5!) USER MOD Set 1.2: A 779 GLN : amide:sc= -0.809 K(o=0.16,f=-5.5) USER MOD Single : A 722 TYR OH : rot -121:sc= 1.49 USER MOD Single : A 724 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 725 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 726 ASN : amide:sc= -0.506 K(o=-0.51,f=-1.9) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 737 SER OG : rot 90:sc= 0.88 USER MOD Single : A 738 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.17) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN :FLIP amide:sc= 0 F(o=-2,f=0) USER MOD Single : A 750 SER OG : rot 180:sc= -0.0391 USER MOD Single : A 754 HIS : no HD1:sc= -0.735 X(o=-0.73,f=-0.87) USER MOD Single : A 757 LYS NZ :NH3+ -164:sc= -1.07 (180deg=-1.71!) USER MOD Single : A 760 TYR OH : rot 130:sc= -0.729 USER MOD Single : A 761 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.8) USER MOD Single : A 763 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.13) USER MOD Single : A 773 CYS SG : rot 45:sc= 0.00215 USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ 169:sc= -0.0224 (180deg=-0.22) USER MOD Single : A 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 782 GLN :FLIP amide:sc= -0.601 F(o=-1.7,f=-0.6) USER MOD Single : A 796 ASN : amide:sc= -1.58! C(o=-1.6!,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.277 15.101 7.133 1.00 64.45 N ATOM 148 CA ILE A 716 1.122 13.921 7.039 1.00 33.11 C ATOM 149 C ILE A 716 1.224 13.216 8.394 1.00 41.44 C ATOM 150 O ILE A 716 1.496 12.015 8.465 1.00 30.13 O ATOM 151 CB ILE A 716 2.522 14.301 6.505 1.00 41.13 C ATOM 152 CG1 ILE A 716 2.393 14.903 5.101 1.00 53.30 C ATOM 153 CG2 ILE A 716 3.459 13.101 6.485 1.00 52.42 C ATOM 154 CD1 ILE A 716 1.761 13.970 4.085 1.00 43.42 C ATOM 0 HA ILE A 716 0.666 13.225 6.335 1.00 33.11 H new ATOM 0 HB ILE A 716 2.954 15.041 7.178 1.00 41.13 H new ATOM 0 HG12 ILE A 716 1.798 15.815 5.161 1.00 53.30 H new ATOM 0 HG13 ILE A 716 3.383 15.191 4.748 1.00 53.30 H new ATOM 0 HG21 ILE A 716 4.433 13.407 6.104 1.00 52.42 H new ATOM 0 HG22 ILE A 716 3.571 12.710 7.496 1.00 52.42 H new ATOM 0 HG23 ILE A 716 3.044 12.326 5.841 1.00 52.42 H new ATOM 0 HD11 ILE A 716 1.705 14.469 3.118 1.00 43.42 H new ATOM 0 HD12 ILE A 716 2.366 13.068 3.994 1.00 43.42 H new ATOM 0 HD13 ILE A 716 0.757 13.701 4.413 1.00 43.42 H new ATOM 166 N GLY A 717 0.968 13.959 9.463 1.00 70.41 N ATOM 167 CA GLY A 717 0.956 13.374 10.788 1.00 10.21 C ATOM 168 C GLY A 717 -0.117 12.311 10.930 1.00 62.34 C ATOM 169 O GLY A 717 0.069 11.312 11.628 1.00 41.11 O ATOM 0 H GLY A 717 0.768 14.959 9.435 1.00 70.41 H new ATOM 0 HA2 GLY A 717 1.931 12.935 10.999 1.00 10.21 H new ATOM 0 HA3 GLY A 717 0.791 14.157 11.528 1.00 10.21 H new ATOM 173 N GLU A 718 -1.241 12.511 10.251 1.00 43.02 N ATOM 174 CA GLU A 718 -2.326 11.545 10.289 1.00 1.24 C ATOM 175 C GLU A 718 -2.023 10.343 9.401 1.00 34.43 C ATOM 176 O GLU A 718 -2.522 9.254 9.641 1.00 2.23 O ATOM 177 CB GLU A 718 -3.656 12.191 9.905 1.00 44.13 C ATOM 178 CG GLU A 718 -4.228 13.068 11.010 1.00 73.14 C ATOM 179 CD GLU A 718 -5.583 13.650 10.667 1.00 43.21 C ATOM 180 OE1 GLU A 718 -6.592 12.918 10.768 1.00 12.12 O ATOM 181 OE2 GLU A 718 -5.643 14.839 10.304 1.00 1.12 O ATOM 0 H GLU A 718 -1.422 13.330 9.671 1.00 43.02 H new ATOM 0 HA GLU A 718 -2.415 11.188 11.315 1.00 1.24 H new ATOM 0 HB2 GLU A 718 -3.516 12.792 9.006 1.00 44.13 H new ATOM 0 HB3 GLU A 718 -4.376 11.410 9.658 1.00 44.13 H new ATOM 0 HG2 GLU A 718 -4.313 12.481 11.924 1.00 73.14 H new ATOM 0 HG3 GLU A 718 -3.532 13.881 11.217 1.00 73.14 H new ATOM 188 N LEU A 719 -1.182 10.532 8.392 1.00 5.52 N ATOM 189 CA LEU A 719 -0.705 9.405 7.590 1.00 63.11 C ATOM 190 C LEU A 719 0.067 8.435 8.483 1.00 41.05 C ATOM 191 O LEU A 719 0.023 7.220 8.294 1.00 61.54 O ATOM 192 CB LEU A 719 0.178 9.882 6.429 1.00 1.41 C ATOM 193 CG LEU A 719 -0.561 10.330 5.159 1.00 11.01 C ATOM 194 CD1 LEU A 719 -1.417 9.201 4.614 1.00 43.55 C ATOM 195 CD2 LEU A 719 -1.414 11.560 5.419 1.00 52.12 C ATOM 0 H LEU A 719 -0.818 11.442 8.109 1.00 5.52 H new ATOM 0 HA LEU A 719 -1.567 8.895 7.160 1.00 63.11 H new ATOM 0 HB2 LEU A 719 0.789 10.713 6.782 1.00 1.41 H new ATOM 0 HB3 LEU A 719 0.860 9.075 6.162 1.00 1.41 H new ATOM 0 HG LEU A 719 0.190 10.593 4.414 1.00 11.01 H new ATOM 0 HD11 LEU A 719 -1.933 9.537 3.714 1.00 43.55 H new ATOM 0 HD12 LEU A 719 -0.783 8.348 4.372 1.00 43.55 H new ATOM 0 HD13 LEU A 719 -2.151 8.906 5.364 1.00 43.55 H new ATOM 0 HD21 LEU A 719 -1.923 11.851 4.500 1.00 52.12 H new ATOM 0 HD22 LEU A 719 -2.153 11.334 6.188 1.00 52.12 H new ATOM 0 HD23 LEU A 719 -0.778 12.379 5.756 1.00 52.12 H new ATOM 207 N VAL A 720 0.741 8.993 9.486 1.00 21.43 N ATOM 208 CA VAL A 720 1.480 8.199 10.457 1.00 20.11 C ATOM 209 C VAL A 720 0.523 7.427 11.367 1.00 31.25 C ATOM 210 O VAL A 720 0.796 6.285 11.742 1.00 74.40 O ATOM 211 CB VAL A 720 2.405 9.084 11.324 1.00 62.24 C ATOM 212 CG1 VAL A 720 3.186 8.245 12.324 1.00 20.11 C ATOM 213 CG2 VAL A 720 3.353 9.893 10.451 1.00 72.32 C ATOM 0 H VAL A 720 0.789 9.999 9.646 1.00 21.43 H new ATOM 0 HA VAL A 720 2.094 7.495 9.896 1.00 20.11 H new ATOM 0 HB VAL A 720 1.775 9.777 11.882 1.00 62.24 H new ATOM 0 HG11 VAL A 720 3.828 8.893 12.920 1.00 20.11 H new ATOM 0 HG12 VAL A 720 2.491 7.720 12.980 1.00 20.11 H new ATOM 0 HG13 VAL A 720 3.799 7.519 11.790 1.00 20.11 H new ATOM 0 HG21 VAL A 720 3.994 10.508 11.083 1.00 72.32 H new ATOM 0 HG22 VAL A 720 3.969 9.216 9.859 1.00 72.32 H new ATOM 0 HG23 VAL A 720 2.776 10.535 9.785 1.00 72.32 H new ATOM 223 N ARG A 721 -0.611 8.042 11.706 1.00 1.42 N ATOM 224 CA ARG A 721 -1.593 7.395 12.579 1.00 53.34 C ATOM 225 C ARG A 721 -2.137 6.130 11.914 1.00 13.45 C ATOM 226 O ARG A 721 -2.505 5.168 12.587 1.00 21.11 O ATOM 227 CB ARG A 721 -2.752 8.347 12.930 1.00 3.42 C ATOM 228 CG ARG A 721 -3.926 8.290 11.963 1.00 11.12 C ATOM 229 CD ARG A 721 -4.988 9.321 12.295 1.00 21.53 C ATOM 230 NE ARG A 721 -6.128 9.247 11.383 1.00 61.34 N ATOM 231 CZ ARG A 721 -7.395 9.407 11.763 1.00 10.02 C ATOM 232 NH1 ARG A 721 -7.686 9.598 13.042 1.00 51.03 N ATOM 233 NH2 ARG A 721 -8.373 9.350 10.868 1.00 64.32 N ATOM 0 H ARG A 721 -0.871 8.977 11.394 1.00 1.42 H new ATOM 0 HA ARG A 721 -1.087 7.126 13.507 1.00 53.34 H new ATOM 0 HB2 ARG A 721 -3.110 8.110 13.932 1.00 3.42 H new ATOM 0 HB3 ARG A 721 -2.371 9.368 12.961 1.00 3.42 H new ATOM 0 HG2 ARG A 721 -3.567 8.454 10.947 1.00 11.12 H new ATOM 0 HG3 ARG A 721 -4.368 7.294 11.988 1.00 11.12 H new ATOM 0 HD2 ARG A 721 -5.332 9.170 13.318 1.00 21.53 H new ATOM 0 HD3 ARG A 721 -4.551 10.319 12.249 1.00 21.53 H new ATOM 0 HE ARG A 721 -5.943 9.062 10.397 1.00 61.34 H new ATOM 0 HH11 ARG A 721 -6.940 9.623 13.737 1.00 51.03 H new ATOM 0 HH12 ARG A 721 -8.656 9.720 13.331 1.00 51.03 H new ATOM 0 HH21 ARG A 721 -8.156 9.183 9.885 1.00 64.32 H new ATOM 0 HH22 ARG A 721 -9.342 9.473 11.163 1.00 64.32 H new ATOM 247 N TYR A 722 -2.169 6.133 10.587 1.00 33.14 N ATOM 248 CA TYR A 722 -2.644 4.985 9.839 1.00 32.34 C ATOM 249 C TYR A 722 -1.592 3.886 9.820 1.00 23.32 C ATOM 250 O TYR A 722 -1.923 2.708 9.821 1.00 22.01 O ATOM 251 CB TYR A 722 -3.042 5.389 8.419 1.00 42.43 C ATOM 252 CG TYR A 722 -4.315 6.207 8.375 1.00 73.21 C ATOM 253 CD1 TYR A 722 -5.552 5.614 8.599 1.00 73.51 C ATOM 254 CD2 TYR A 722 -4.283 7.570 8.111 1.00 1.33 C ATOM 255 CE1 TYR A 722 -6.716 6.357 8.564 1.00 12.14 C ATOM 256 CE2 TYR A 722 -5.442 8.319 8.075 1.00 61.35 C ATOM 257 CZ TYR A 722 -6.655 7.709 8.303 1.00 14.44 C ATOM 258 OH TYR A 722 -7.814 8.454 8.277 1.00 71.03 O ATOM 0 H TYR A 722 -1.871 6.920 10.010 1.00 33.14 H new ATOM 0 HA TYR A 722 -3.532 4.595 10.337 1.00 32.34 H new ATOM 0 HB2 TYR A 722 -2.232 5.963 7.969 1.00 42.43 H new ATOM 0 HB3 TYR A 722 -3.171 4.492 7.814 1.00 42.43 H new ATOM 0 HD1 TYR A 722 -5.604 4.555 8.804 1.00 73.51 H new ATOM 0 HD2 TYR A 722 -3.334 8.053 7.931 1.00 1.33 H new ATOM 0 HE1 TYR A 722 -7.669 5.881 8.740 1.00 12.14 H new ATOM 0 HE2 TYR A 722 -5.397 9.378 7.869 1.00 61.35 H new ATOM 0 HH TYR A 722 -7.911 8.877 7.399 1.00 71.03 H new ATOM 268 N LEU A 723 -0.325 4.272 9.845 1.00 13.00 N ATOM 269 CA LEU A 723 0.765 3.304 9.948 1.00 41.04 C ATOM 270 C LEU A 723 0.696 2.558 11.275 1.00 72.44 C ATOM 271 O LEU A 723 1.194 1.439 11.404 1.00 53.33 O ATOM 272 CB LEU A 723 2.116 4.002 9.820 1.00 32.31 C ATOM 273 CG LEU A 723 2.416 4.585 8.443 1.00 1.02 C ATOM 274 CD1 LEU A 723 3.749 5.311 8.456 1.00 15.11 C ATOM 275 CD2 LEU A 723 2.415 3.482 7.397 1.00 43.25 C ATOM 0 H LEU A 723 -0.023 5.245 9.796 1.00 13.00 H new ATOM 0 HA LEU A 723 0.658 2.588 9.134 1.00 41.04 H new ATOM 0 HB2 LEU A 723 2.164 4.805 10.555 1.00 32.31 H new ATOM 0 HB3 LEU A 723 2.901 3.290 10.075 1.00 32.31 H new ATOM 0 HG LEU A 723 1.638 5.304 8.188 1.00 1.02 H new ATOM 0 HD11 LEU A 723 3.949 5.722 7.466 1.00 15.11 H new ATOM 0 HD12 LEU A 723 3.715 6.121 9.185 1.00 15.11 H new ATOM 0 HD13 LEU A 723 4.541 4.613 8.726 1.00 15.11 H new ATOM 0 HD21 LEU A 723 2.630 3.909 6.418 1.00 43.25 H new ATOM 0 HD22 LEU A 723 3.177 2.744 7.646 1.00 43.25 H new ATOM 0 HD23 LEU A 723 1.437 3.001 7.376 1.00 43.25 H new ATOM 287 N ASN A 724 0.080 3.193 12.261 1.00 41.10 N ATOM 288 CA ASN A 724 -0.079 2.594 13.577 1.00 30.21 C ATOM 289 C ASN A 724 -1.401 1.845 13.676 1.00 62.10 C ATOM 290 O ASN A 724 -1.549 0.934 14.488 1.00 42.44 O ATOM 291 CB ASN A 724 -0.025 3.666 14.666 1.00 13.22 C ATOM 292 CG ASN A 724 1.301 4.399 14.716 1.00 50.01 C ATOM 293 OD1 ASN A 724 2.354 3.836 14.416 1.00 32.15 O ATOM 294 ND2 ASN A 724 1.255 5.666 15.093 1.00 53.25 N ATOM 0 H ASN A 724 -0.320 4.127 12.173 1.00 41.10 H new ATOM 0 HA ASN A 724 0.741 1.890 13.721 1.00 30.21 H new ATOM 0 HB2 ASN A 724 -0.825 4.387 14.498 1.00 13.22 H new ATOM 0 HB3 ASN A 724 -0.213 3.201 15.634 1.00 13.22 H new ATOM 0 HD21 ASN A 724 2.113 6.215 15.144 1.00 53.25 H new ATOM 0 HD22 ASN A 724 0.361 6.094 15.333 1.00 53.25 H new ATOM 301 N THR A 725 -2.361 2.230 12.846 1.00 31.13 N ATOM 302 CA THR A 725 -3.698 1.659 12.919 1.00 73.21 C ATOM 303 C THR A 725 -3.995 0.786 11.699 1.00 73.42 C ATOM 304 O THR A 725 -3.945 -0.442 11.779 1.00 20.20 O ATOM 305 CB THR A 725 -4.763 2.767 13.035 1.00 72.32 C ATOM 306 OG1 THR A 725 -4.367 3.718 14.034 1.00 14.42 O ATOM 307 CG2 THR A 725 -6.122 2.186 13.401 1.00 24.21 C ATOM 0 H THR A 725 -2.239 2.933 12.117 1.00 31.13 H new ATOM 0 HA THR A 725 -3.736 1.035 13.812 1.00 73.21 H new ATOM 0 HB THR A 725 -4.847 3.259 12.066 1.00 72.32 H new ATOM 0 HG1 THR A 725 -3.700 4.330 13.657 1.00 14.42 H new ATOM 0 HG21 THR A 725 -6.853 2.991 13.476 1.00 24.21 H new ATOM 0 HG22 THR A 725 -6.436 1.481 12.631 1.00 24.21 H new ATOM 0 HG23 THR A 725 -6.051 1.670 14.358 1.00 24.21 H new ATOM 315 N ASN A 726 -4.287 1.419 10.571 1.00 44.23 N ATOM 316 CA ASN A 726 -4.606 0.697 9.345 1.00 12.44 C ATOM 317 C ASN A 726 -4.006 1.398 8.134 1.00 12.20 C ATOM 318 O ASN A 726 -4.516 2.430 7.688 1.00 2.41 O ATOM 319 CB ASN A 726 -6.122 0.567 9.172 1.00 3.32 C ATOM 320 CG ASN A 726 -6.497 -0.149 7.888 1.00 41.23 C ATOM 321 OD1 ASN A 726 -5.746 -0.984 7.383 1.00 44.05 O ATOM 322 ND2 ASN A 726 -7.658 0.173 7.347 1.00 14.21 N ATOM 0 H ASN A 726 -4.310 2.435 10.479 1.00 44.23 H new ATOM 0 HA ASN A 726 -4.174 -0.301 9.422 1.00 12.44 H new ATOM 0 HB2 ASN A 726 -6.537 0.025 10.022 1.00 3.32 H new ATOM 0 HB3 ASN A 726 -6.572 1.560 9.176 1.00 3.32 H new ATOM 0 HD21 ASN A 726 -7.959 -0.275 6.482 1.00 14.21 H new ATOM 0 HD22 ASN A 726 -8.254 0.870 7.795 1.00 14.21 H new ATOM 329 N PRO A 727 -2.902 0.853 7.600 1.00 21.23 N ATOM 330 CA PRO A 727 -2.204 1.429 6.444 1.00 54.13 C ATOM 331 C PRO A 727 -3.096 1.515 5.213 1.00 61.33 C ATOM 332 O PRO A 727 -3.024 2.479 4.447 1.00 12.12 O ATOM 333 CB PRO A 727 -1.046 0.457 6.188 1.00 12.12 C ATOM 334 CG PRO A 727 -1.410 -0.795 6.915 1.00 41.51 C ATOM 335 CD PRO A 727 -2.237 -0.365 8.089 1.00 24.55 C ATOM 0 HA PRO A 727 -1.881 2.451 6.642 1.00 54.13 H new ATOM 0 HB2 PRO A 727 -0.919 0.269 5.122 1.00 12.12 H new ATOM 0 HB3 PRO A 727 -0.103 0.864 6.554 1.00 12.12 H new ATOM 0 HG2 PRO A 727 -1.970 -1.472 6.270 1.00 41.51 H new ATOM 0 HG3 PRO A 727 -0.518 -1.330 7.241 1.00 41.51 H new ATOM 0 HD2 PRO A 727 -2.958 -1.130 8.376 1.00 24.55 H new ATOM 0 HD3 PRO A 727 -1.620 -0.164 8.965 1.00 24.55 H new ATOM 343 N VAL A 728 -3.946 0.505 5.036 1.00 54.33 N ATOM 344 CA VAL A 728 -4.846 0.448 3.891 1.00 55.44 C ATOM 345 C VAL A 728 -5.766 1.658 3.887 1.00 23.32 C ATOM 346 O VAL A 728 -5.911 2.342 2.872 1.00 13.14 O ATOM 347 CB VAL A 728 -5.692 -0.843 3.896 1.00 3.41 C ATOM 348 CG1 VAL A 728 -6.579 -0.915 2.661 1.00 71.14 C ATOM 349 CG2 VAL A 728 -4.798 -2.071 3.984 1.00 31.43 C ATOM 0 H VAL A 728 -4.029 -0.286 5.674 1.00 54.33 H new ATOM 0 HA VAL A 728 -4.232 0.449 2.990 1.00 55.44 H new ATOM 0 HB VAL A 728 -6.335 -0.822 4.776 1.00 3.41 H new ATOM 0 HG11 VAL A 728 -7.165 -1.833 2.687 1.00 71.14 H new ATOM 0 HG12 VAL A 728 -7.250 -0.056 2.645 1.00 71.14 H new ATOM 0 HG13 VAL A 728 -5.957 -0.907 1.766 1.00 71.14 H new ATOM 0 HG21 VAL A 728 -5.414 -2.970 3.986 1.00 31.43 H new ATOM 0 HG22 VAL A 728 -4.126 -2.094 3.126 1.00 31.43 H new ATOM 0 HG23 VAL A 728 -4.213 -2.030 4.903 1.00 31.43 H new ATOM 359 N GLY A 729 -6.357 1.935 5.044 1.00 42.35 N ATOM 360 CA GLY A 729 -7.228 3.083 5.180 1.00 12.11 C ATOM 361 C GLY A 729 -6.493 4.385 4.938 1.00 42.23 C ATOM 362 O GLY A 729 -7.049 5.319 4.371 1.00 31.13 O ATOM 0 H GLY A 729 -6.246 1.381 5.893 1.00 42.35 H new ATOM 0 HA2 GLY A 729 -8.054 2.997 4.474 1.00 12.11 H new ATOM 0 HA3 GLY A 729 -7.662 3.092 6.180 1.00 12.11 H new ATOM 366 N GLY A 730 -5.233 4.434 5.353 1.00 13.21 N ATOM 367 CA GLY A 730 -4.427 5.625 5.162 1.00 61.11 C ATOM 368 C GLY A 730 -4.165 5.923 3.702 1.00 34.12 C ATOM 369 O GLY A 730 -4.252 7.071 3.271 1.00 2.32 O ATOM 0 H GLY A 730 -4.753 3.665 5.821 1.00 13.21 H new ATOM 0 HA2 GLY A 730 -4.931 6.477 5.618 1.00 61.11 H new ATOM 0 HA3 GLY A 730 -3.476 5.502 5.680 1.00 61.11 H new ATOM 373 N LEU A 731 -3.848 4.885 2.942 1.00 24.14 N ATOM 374 CA LEU A 731 -3.587 5.030 1.519 1.00 61.24 C ATOM 375 C LEU A 731 -4.868 5.456 0.800 1.00 1.40 C ATOM 376 O LEU A 731 -4.846 6.317 -0.083 1.00 22.11 O ATOM 377 CB LEU A 731 -3.032 3.707 0.962 1.00 61.25 C ATOM 378 CG LEU A 731 -2.392 3.766 -0.434 1.00 3.31 C ATOM 379 CD1 LEU A 731 -3.445 3.694 -1.522 1.00 11.15 C ATOM 380 CD2 LEU A 731 -1.557 5.029 -0.589 1.00 15.32 C ATOM 0 H LEU A 731 -3.765 3.930 3.290 1.00 24.14 H new ATOM 0 HA LEU A 731 -2.839 5.805 1.352 1.00 61.24 H new ATOM 0 HB2 LEU A 731 -2.288 3.327 1.663 1.00 61.25 H new ATOM 0 HB3 LEU A 731 -3.844 2.981 0.935 1.00 61.25 H new ATOM 0 HG LEU A 731 -1.738 2.900 -0.537 1.00 3.31 H new ATOM 0 HD11 LEU A 731 -2.963 3.738 -2.499 1.00 11.15 H new ATOM 0 HD12 LEU A 731 -3.998 2.759 -1.432 1.00 11.15 H new ATOM 0 HD13 LEU A 731 -4.133 4.533 -1.419 1.00 11.15 H new ATOM 0 HD21 LEU A 731 -1.113 5.052 -1.584 1.00 15.32 H new ATOM 0 HD22 LEU A 731 -2.193 5.904 -0.456 1.00 15.32 H new ATOM 0 HD23 LEU A 731 -0.767 5.037 0.162 1.00 15.32 H new ATOM 392 N LEU A 732 -5.987 4.871 1.211 1.00 44.30 N ATOM 393 CA LEU A 732 -7.288 5.232 0.661 1.00 62.32 C ATOM 394 C LEU A 732 -7.643 6.673 1.022 1.00 14.53 C ATOM 395 O LEU A 732 -8.208 7.406 0.213 1.00 52.42 O ATOM 396 CB LEU A 732 -8.368 4.281 1.186 1.00 45.30 C ATOM 397 CG LEU A 732 -8.170 2.809 0.823 1.00 1.11 C ATOM 398 CD1 LEU A 732 -9.184 1.940 1.545 1.00 30.11 C ATOM 399 CD2 LEU A 732 -8.280 2.608 -0.681 1.00 12.31 C ATOM 0 H LEU A 732 -6.019 4.143 1.925 1.00 44.30 H new ATOM 0 HA LEU A 732 -7.237 5.147 -0.424 1.00 62.32 H new ATOM 0 HB2 LEU A 732 -8.410 4.369 2.272 1.00 45.30 H new ATOM 0 HB3 LEU A 732 -9.335 4.607 0.802 1.00 45.30 H new ATOM 0 HG LEU A 732 -7.170 2.512 1.140 1.00 1.11 H new ATOM 0 HD11 LEU A 732 -9.027 0.896 1.274 1.00 30.11 H new ATOM 0 HD12 LEU A 732 -9.063 2.057 2.622 1.00 30.11 H new ATOM 0 HD13 LEU A 732 -10.191 2.242 1.258 1.00 30.11 H new ATOM 0 HD21 LEU A 732 -8.136 1.554 -0.919 1.00 12.31 H new ATOM 0 HD22 LEU A 732 -9.267 2.925 -1.019 1.00 12.31 H new ATOM 0 HD23 LEU A 732 -7.516 3.201 -1.184 1.00 12.31 H new ATOM 411 N GLU A 733 -7.289 7.072 2.239 1.00 52.41 N ATOM 412 CA GLU A 733 -7.553 8.392 2.736 1.00 54.35 C ATOM 413 C GLU A 733 -6.741 9.435 1.971 1.00 70.50 C ATOM 414 O GLU A 733 -7.272 10.459 1.544 1.00 50.55 O ATOM 415 CB GLU A 733 -7.190 8.390 4.209 1.00 11.03 C ATOM 416 CG GLU A 733 -7.117 9.750 4.822 1.00 34.25 C ATOM 417 CD GLU A 733 -8.481 10.329 5.114 1.00 40.30 C ATOM 418 OE1 GLU A 733 -9.052 11.003 4.236 1.00 73.31 O ATOM 419 OE2 GLU A 733 -8.997 10.094 6.223 1.00 64.14 O ATOM 0 H GLU A 733 -6.805 6.471 2.906 1.00 52.41 H new ATOM 0 HA GLU A 733 -8.602 8.654 2.600 1.00 54.35 H new ATOM 0 HB2 GLU A 733 -7.926 7.797 4.753 1.00 11.03 H new ATOM 0 HB3 GLU A 733 -6.227 7.895 4.334 1.00 11.03 H new ATOM 0 HG2 GLU A 733 -6.543 9.697 5.747 1.00 34.25 H new ATOM 0 HG3 GLU A 733 -6.579 10.419 4.151 1.00 34.25 H new ATOM 426 N TYR A 734 -5.454 9.163 1.796 1.00 52.51 N ATOM 427 CA TYR A 734 -4.583 10.045 1.038 1.00 64.43 C ATOM 428 C TYR A 734 -5.131 10.254 -0.371 1.00 4.44 C ATOM 429 O TYR A 734 -5.218 11.387 -0.854 1.00 14.20 O ATOM 430 CB TYR A 734 -3.164 9.463 0.986 1.00 65.41 C ATOM 431 CG TYR A 734 -2.321 9.992 -0.155 1.00 45.53 C ATOM 432 CD1 TYR A 734 -1.586 11.164 -0.031 1.00 61.03 C ATOM 433 CD2 TYR A 734 -2.274 9.312 -1.363 1.00 52.12 C ATOM 434 CE1 TYR A 734 -0.824 11.639 -1.082 1.00 71.15 C ATOM 435 CE2 TYR A 734 -1.518 9.780 -2.417 1.00 24.35 C ATOM 436 CZ TYR A 734 -0.792 10.944 -2.272 1.00 61.53 C ATOM 437 OH TYR A 734 -0.034 11.418 -3.321 1.00 34.14 O ATOM 0 H TYR A 734 -4.991 8.335 2.171 1.00 52.51 H new ATOM 0 HA TYR A 734 -4.544 11.014 1.535 1.00 64.43 H new ATOM 0 HB2 TYR A 734 -2.659 9.680 1.927 1.00 65.41 H new ATOM 0 HB3 TYR A 734 -3.230 8.378 0.902 1.00 65.41 H new ATOM 0 HD1 TYR A 734 -1.610 11.712 0.899 1.00 61.03 H new ATOM 0 HD2 TYR A 734 -2.840 8.400 -1.480 1.00 52.12 H new ATOM 0 HE1 TYR A 734 -0.256 12.551 -0.971 1.00 71.15 H new ATOM 0 HE2 TYR A 734 -1.494 9.238 -3.351 1.00 24.35 H new ATOM 0 HH TYR A 734 -0.119 10.812 -4.086 1.00 34.14 H new ATOM 447 N ALA A 735 -5.520 9.162 -1.013 1.00 25.54 N ATOM 448 CA ALA A 735 -6.015 9.214 -2.375 1.00 32.33 C ATOM 449 C ALA A 735 -7.321 9.988 -2.457 1.00 10.33 C ATOM 450 O ALA A 735 -7.483 10.852 -3.316 1.00 32.52 O ATOM 451 CB ALA A 735 -6.198 7.808 -2.924 1.00 12.22 C ATOM 0 H ALA A 735 -5.501 8.226 -0.607 1.00 25.54 H new ATOM 0 HA ALA A 735 -5.276 9.737 -2.982 1.00 32.33 H new ATOM 0 HB1 ALA A 735 -6.570 7.862 -3.947 1.00 12.22 H new ATOM 0 HB2 ALA A 735 -5.241 7.286 -2.913 1.00 12.22 H new ATOM 0 HB3 ALA A 735 -6.914 7.266 -2.306 1.00 12.22 H new ATOM 457 N ARG A 736 -8.228 9.718 -1.528 1.00 44.30 N ATOM 458 CA ARG A 736 -9.570 10.282 -1.586 1.00 1.25 C ATOM 459 C ARG A 736 -9.511 11.777 -1.336 1.00 11.34 C ATOM 460 O ARG A 736 -10.284 12.555 -1.894 1.00 53.13 O ATOM 461 CB ARG A 736 -10.478 9.600 -0.555 1.00 61.10 C ATOM 462 CG ARG A 736 -10.230 10.027 0.887 1.00 14.42 C ATOM 463 CD ARG A 736 -11.218 9.383 1.845 1.00 4.33 C ATOM 464 NE ARG A 736 -12.588 9.837 1.606 1.00 1.55 N ATOM 465 CZ ARG A 736 -13.638 9.494 2.352 1.00 24.41 C ATOM 466 NH1 ARG A 736 -13.485 8.693 3.400 1.00 50.40 N ATOM 467 NH2 ARG A 736 -14.841 9.960 2.044 1.00 72.34 N ATOM 0 H ARG A 736 -8.059 9.112 -0.725 1.00 44.30 H new ATOM 0 HA ARG A 736 -9.986 10.108 -2.578 1.00 1.25 H new ATOM 0 HB2 ARG A 736 -11.517 9.810 -0.809 1.00 61.10 H new ATOM 0 HB3 ARG A 736 -10.344 8.521 -0.629 1.00 61.10 H new ATOM 0 HG2 ARG A 736 -9.214 9.757 1.176 1.00 14.42 H new ATOM 0 HG3 ARG A 736 -10.305 11.112 0.963 1.00 14.42 H new ATOM 0 HD2 ARG A 736 -11.172 8.299 1.739 1.00 4.33 H new ATOM 0 HD3 ARG A 736 -10.933 9.616 2.871 1.00 4.33 H new ATOM 0 HE ARG A 736 -12.751 10.459 0.814 1.00 1.55 H new ATOM 0 HH11 ARG A 736 -12.560 8.336 3.638 1.00 50.40 H new ATOM 0 HH12 ARG A 736 -14.293 8.435 3.967 1.00 50.40 H new ATOM 0 HH21 ARG A 736 -14.959 10.577 1.240 1.00 72.34 H new ATOM 0 HH22 ARG A 736 -15.649 9.701 2.611 1.00 72.34 H new ATOM 481 N SER A 737 -8.565 12.161 -0.503 1.00 60.53 N ATOM 482 CA SER A 737 -8.353 13.531 -0.142 1.00 45.42 C ATOM 483 C SER A 737 -7.681 14.315 -1.266 1.00 35.01 C ATOM 484 O SER A 737 -7.997 15.482 -1.499 1.00 75.12 O ATOM 485 CB SER A 737 -7.502 13.544 1.114 1.00 73.24 C ATOM 486 OG SER A 737 -8.212 12.989 2.210 1.00 62.54 O ATOM 0 H SER A 737 -7.917 11.513 -0.056 1.00 60.53 H new ATOM 0 HA SER A 737 -9.311 14.018 0.038 1.00 45.42 H new ATOM 0 HB2 SER A 737 -6.586 12.978 0.944 1.00 73.24 H new ATOM 0 HB3 SER A 737 -7.206 14.567 1.347 1.00 73.24 H new ATOM 0 HG SER A 737 -8.051 12.023 2.249 1.00 62.54 H new ATOM 492 N HIS A 738 -6.771 13.661 -1.978 1.00 24.52 N ATOM 493 CA HIS A 738 -5.990 14.330 -3.012 1.00 63.54 C ATOM 494 C HIS A 738 -6.630 14.164 -4.384 1.00 74.21 C ATOM 495 O HIS A 738 -6.098 14.637 -5.384 1.00 40.02 O ATOM 496 CB HIS A 738 -4.549 13.808 -3.028 1.00 14.52 C ATOM 497 CG HIS A 738 -3.753 14.195 -1.817 1.00 11.13 C ATOM 498 ND1 HIS A 738 -2.404 14.471 -1.847 1.00 52.41 N ATOM 499 CD2 HIS A 738 -4.130 14.336 -0.527 1.00 42.44 C ATOM 500 CE1 HIS A 738 -1.991 14.759 -0.625 1.00 21.25 C ATOM 501 NE2 HIS A 738 -3.020 14.687 0.194 1.00 1.42 N ATOM 0 H HIS A 738 -6.556 12.671 -1.859 1.00 24.52 H new ATOM 0 HA HIS A 738 -5.972 15.394 -2.775 1.00 63.54 H new ATOM 0 HB2 HIS A 738 -4.567 12.721 -3.108 1.00 14.52 H new ATOM 0 HB3 HIS A 738 -4.045 14.185 -3.918 1.00 14.52 H new ATOM 0 HD2 HIS A 738 -5.127 14.197 -0.135 1.00 42.44 H new ATOM 0 HE1 HIS A 738 -0.979 15.011 -0.345 1.00 21.25 H new ATOM 0 HE2 HIS A 738 -2.994 14.863 1.198 1.00 1.42 H new ATOM 510 N GLY A 739 -7.761 13.475 -4.429 1.00 35.42 N ATOM 511 CA GLY A 739 -8.501 13.344 -5.671 1.00 62.02 C ATOM 512 C GLY A 739 -8.018 12.192 -6.529 1.00 23.22 C ATOM 513 O GLY A 739 -8.432 12.054 -7.682 1.00 74.00 O ATOM 0 H GLY A 739 -8.181 13.003 -3.628 1.00 35.42 H new ATOM 0 HA2 GLY A 739 -9.558 13.203 -5.445 1.00 62.02 H new ATOM 0 HA3 GLY A 739 -8.417 14.272 -6.237 1.00 62.02 H new ATOM 517 N PHE A 740 -7.147 11.363 -5.976 1.00 35.53 N ATOM 518 CA PHE A 740 -6.634 10.207 -6.694 1.00 15.03 C ATOM 519 C PHE A 740 -7.474 8.973 -6.381 1.00 54.00 C ATOM 520 O PHE A 740 -8.218 8.951 -5.399 1.00 44.33 O ATOM 521 CB PHE A 740 -5.175 9.946 -6.316 1.00 31.20 C ATOM 522 CG PHE A 740 -4.261 11.112 -6.566 1.00 44.34 C ATOM 523 CD1 PHE A 740 -4.147 11.660 -7.832 1.00 71.53 C ATOM 524 CD2 PHE A 740 -3.515 11.659 -5.535 1.00 22.12 C ATOM 525 CE1 PHE A 740 -3.305 12.731 -8.066 1.00 50.10 C ATOM 526 CE2 PHE A 740 -2.671 12.728 -5.762 1.00 11.21 C ATOM 527 CZ PHE A 740 -2.566 13.265 -7.030 1.00 41.42 C ATOM 0 H PHE A 740 -6.780 11.469 -5.030 1.00 35.53 H new ATOM 0 HA PHE A 740 -6.691 10.416 -7.762 1.00 15.03 H new ATOM 0 HB2 PHE A 740 -5.126 9.679 -5.260 1.00 31.20 H new ATOM 0 HB3 PHE A 740 -4.813 9.086 -6.879 1.00 31.20 H new ATOM 0 HD1 PHE A 740 -4.723 11.246 -8.647 1.00 71.53 H new ATOM 0 HD2 PHE A 740 -3.594 11.244 -4.541 1.00 22.12 H new ATOM 0 HE1 PHE A 740 -3.226 13.149 -9.058 1.00 50.10 H new ATOM 0 HE2 PHE A 740 -2.094 13.144 -4.949 1.00 11.21 H new ATOM 0 HZ PHE A 740 -1.907 14.101 -7.211 1.00 41.42 H new ATOM 537 N ALA A 741 -7.365 7.955 -7.216 1.00 1.44 N ATOM 538 CA ALA A 741 -8.062 6.704 -6.981 1.00 61.32 C ATOM 539 C ALA A 741 -7.073 5.630 -6.552 1.00 64.24 C ATOM 540 O ALA A 741 -6.178 5.264 -7.312 1.00 3.34 O ATOM 541 CB ALA A 741 -8.819 6.268 -8.226 1.00 31.20 C ATOM 0 H ALA A 741 -6.799 7.971 -8.064 1.00 1.44 H new ATOM 0 HA ALA A 741 -8.787 6.853 -6.181 1.00 61.32 H new ATOM 0 HB1 ALA A 741 -9.334 5.328 -8.028 1.00 31.20 H new ATOM 0 HB2 ALA A 741 -9.548 7.032 -8.495 1.00 31.20 H new ATOM 0 HB3 ALA A 741 -8.118 6.131 -9.049 1.00 31.20 H new ATOM 547 N ALA A 742 -7.228 5.146 -5.328 1.00 62.12 N ATOM 548 CA ALA A 742 -6.341 4.124 -4.794 1.00 31.43 C ATOM 549 C ALA A 742 -6.759 2.740 -5.270 1.00 5.13 C ATOM 550 O ALA A 742 -7.820 2.237 -4.893 1.00 65.13 O ATOM 551 CB ALA A 742 -6.333 4.180 -3.276 1.00 23.01 C ATOM 0 H ALA A 742 -7.961 5.446 -4.685 1.00 62.12 H new ATOM 0 HA ALA A 742 -5.333 4.319 -5.160 1.00 31.43 H new ATOM 0 HB1 ALA A 742 -5.666 3.411 -2.887 1.00 23.01 H new ATOM 0 HB2 ALA A 742 -5.986 5.160 -2.950 1.00 23.01 H new ATOM 0 HB3 ALA A 742 -7.342 4.009 -2.900 1.00 23.01 H new ATOM 557 N GLU A 743 -5.931 2.132 -6.102 1.00 24.32 N ATOM 558 CA GLU A 743 -6.236 0.830 -6.666 1.00 55.10 C ATOM 559 C GLU A 743 -5.139 -0.173 -6.343 1.00 0.11 C ATOM 560 O GLU A 743 -3.960 0.081 -6.581 1.00 53.33 O ATOM 561 CB GLU A 743 -6.422 0.943 -8.181 1.00 71.43 C ATOM 562 CG GLU A 743 -7.572 1.856 -8.577 1.00 22.34 C ATOM 563 CD GLU A 743 -7.777 1.936 -10.075 1.00 61.14 C ATOM 564 OE1 GLU A 743 -8.496 1.078 -10.627 1.00 73.13 O ATOM 565 OE2 GLU A 743 -7.223 2.858 -10.712 1.00 22.31 O ATOM 0 H GLU A 743 -5.038 2.522 -6.403 1.00 24.32 H new ATOM 0 HA GLU A 743 -7.164 0.473 -6.220 1.00 55.10 H new ATOM 0 HB2 GLU A 743 -5.500 1.316 -8.627 1.00 71.43 H new ATOM 0 HB3 GLU A 743 -6.596 -0.050 -8.594 1.00 71.43 H new ATOM 0 HG2 GLU A 743 -8.489 1.499 -8.109 1.00 22.34 H new ATOM 0 HG3 GLU A 743 -7.384 2.857 -8.188 1.00 22.34 H new ATOM 572 N PHE A 744 -5.534 -1.306 -5.792 1.00 65.02 N ATOM 573 CA PHE A 744 -4.592 -2.360 -5.446 1.00 1.22 C ATOM 574 C PHE A 744 -4.708 -3.509 -6.438 1.00 21.02 C ATOM 575 O PHE A 744 -5.747 -4.173 -6.506 1.00 12.12 O ATOM 576 CB PHE A 744 -4.852 -2.888 -4.029 1.00 15.50 C ATOM 577 CG PHE A 744 -4.610 -1.888 -2.930 1.00 33.54 C ATOM 578 CD1 PHE A 744 -3.363 -1.781 -2.337 1.00 0.21 C ATOM 579 CD2 PHE A 744 -5.634 -1.070 -2.480 1.00 2.42 C ATOM 580 CE1 PHE A 744 -3.140 -0.877 -1.315 1.00 1.41 C ATOM 581 CE2 PHE A 744 -5.418 -0.161 -1.462 1.00 40.44 C ATOM 582 CZ PHE A 744 -4.169 -0.065 -0.877 1.00 1.51 C ATOM 0 H PHE A 744 -6.506 -1.523 -5.573 1.00 65.02 H new ATOM 0 HA PHE A 744 -3.587 -1.939 -5.484 1.00 1.22 H new ATOM 0 HB2 PHE A 744 -5.885 -3.232 -3.968 1.00 15.50 H new ATOM 0 HB3 PHE A 744 -4.216 -3.757 -3.857 1.00 15.50 H new ATOM 0 HD1 PHE A 744 -2.555 -2.412 -2.677 1.00 0.21 H new ATOM 0 HD2 PHE A 744 -6.613 -1.144 -2.930 1.00 2.42 H new ATOM 0 HE1 PHE A 744 -2.163 -0.805 -0.860 1.00 1.41 H new ATOM 0 HE2 PHE A 744 -6.224 0.474 -1.124 1.00 40.44 H new ATOM 0 HZ PHE A 744 -3.998 0.643 -0.080 1.00 1.51 H new ATOM 592 N LYS A 745 -3.659 -3.741 -7.213 1.00 31.13 N ATOM 593 CA LYS A 745 -3.664 -4.847 -8.158 1.00 65.15 C ATOM 594 C LYS A 745 -2.517 -5.803 -7.876 1.00 52.51 C ATOM 595 O LYS A 745 -1.485 -5.416 -7.323 1.00 24.54 O ATOM 596 CB LYS A 745 -3.579 -4.354 -9.606 1.00 72.44 C ATOM 597 CG LYS A 745 -2.284 -3.636 -9.949 1.00 33.41 C ATOM 598 CD LYS A 745 -1.955 -3.763 -11.431 1.00 23.45 C ATOM 599 CE LYS A 745 -3.071 -3.226 -12.313 1.00 53.05 C ATOM 600 NZ LYS A 745 -2.763 -3.393 -13.757 1.00 30.45 N ATOM 0 H LYS A 745 -2.803 -3.186 -7.207 1.00 31.13 H new ATOM 0 HA LYS A 745 -4.610 -5.373 -8.030 1.00 65.15 H new ATOM 0 HB2 LYS A 745 -3.696 -5.207 -10.275 1.00 72.44 H new ATOM 0 HB3 LYS A 745 -4.415 -3.681 -9.798 1.00 72.44 H new ATOM 0 HG2 LYS A 745 -2.368 -2.583 -9.682 1.00 33.41 H new ATOM 0 HG3 LYS A 745 -1.468 -4.050 -9.357 1.00 33.41 H new ATOM 0 HD2 LYS A 745 -1.033 -3.223 -11.645 1.00 23.45 H new ATOM 0 HD3 LYS A 745 -1.774 -4.810 -11.673 1.00 23.45 H new ATOM 0 HE2 LYS A 745 -4.001 -3.744 -12.078 1.00 53.05 H new ATOM 0 HE3 LYS A 745 -3.230 -2.170 -12.095 1.00 53.05 H new ATOM 0 HZ1 LYS A 745 -3.548 -3.015 -14.325 1.00 30.45 H new ATOM 0 HZ2 LYS A 745 -1.889 -2.878 -13.987 1.00 30.45 H new ATOM 0 HZ3 LYS A 745 -2.636 -4.403 -13.970 1.00 30.45 H new ATOM 614 N LEU A 746 -2.710 -7.053 -8.263 1.00 43.44 N ATOM 615 CA LEU A 746 -1.694 -8.075 -8.097 1.00 73.12 C ATOM 616 C LEU A 746 -0.894 -8.222 -9.386 1.00 74.32 C ATOM 617 O LEU A 746 -1.347 -8.846 -10.348 1.00 75.23 O ATOM 618 CB LEU A 746 -2.343 -9.405 -7.709 1.00 33.25 C ATOM 619 CG LEU A 746 -1.370 -10.557 -7.460 1.00 32.03 C ATOM 620 CD1 LEU A 746 -0.389 -10.199 -6.358 1.00 35.55 C ATOM 621 CD2 LEU A 746 -2.132 -11.821 -7.103 1.00 52.43 C ATOM 0 H LEU A 746 -3.571 -7.385 -8.698 1.00 43.44 H new ATOM 0 HA LEU A 746 -1.015 -7.779 -7.297 1.00 73.12 H new ATOM 0 HB2 LEU A 746 -2.937 -9.252 -6.808 1.00 33.25 H new ATOM 0 HB3 LEU A 746 -3.033 -9.698 -8.500 1.00 33.25 H new ATOM 0 HG LEU A 746 -0.806 -10.737 -8.375 1.00 32.03 H new ATOM 0 HD11 LEU A 746 0.295 -11.032 -6.195 1.00 35.55 H new ATOM 0 HD12 LEU A 746 0.178 -9.315 -6.649 1.00 35.55 H new ATOM 0 HD13 LEU A 746 -0.935 -9.993 -5.437 1.00 35.55 H new ATOM 0 HD21 LEU A 746 -1.427 -12.634 -6.928 1.00 52.43 H new ATOM 0 HD22 LEU A 746 -2.719 -11.649 -6.201 1.00 52.43 H new ATOM 0 HD23 LEU A 746 -2.798 -12.088 -7.924 1.00 52.43 H new ATOM 633 N VAL A 747 0.291 -7.635 -9.398 1.00 34.31 N ATOM 634 CA VAL A 747 1.127 -7.593 -10.590 1.00 20.31 C ATOM 635 C VAL A 747 1.666 -8.977 -10.937 1.00 12.33 C ATOM 636 O VAL A 747 1.652 -9.387 -12.100 1.00 61.23 O ATOM 637 CB VAL A 747 2.311 -6.617 -10.406 1.00 61.34 C ATOM 638 CG1 VAL A 747 3.150 -6.526 -11.674 1.00 51.21 C ATOM 639 CG2 VAL A 747 1.808 -5.242 -9.999 1.00 13.33 C ATOM 0 H VAL A 747 0.701 -7.175 -8.585 1.00 34.31 H new ATOM 0 HA VAL A 747 0.498 -7.242 -11.408 1.00 20.31 H new ATOM 0 HB VAL A 747 2.947 -7.005 -9.610 1.00 61.34 H new ATOM 0 HG11 VAL A 747 3.976 -5.832 -11.515 1.00 51.21 H new ATOM 0 HG12 VAL A 747 3.546 -7.511 -11.920 1.00 51.21 H new ATOM 0 HG13 VAL A 747 2.529 -6.169 -12.496 1.00 51.21 H new ATOM 0 HG21 VAL A 747 2.655 -4.567 -9.874 1.00 13.33 H new ATOM 0 HG22 VAL A 747 1.146 -4.853 -10.772 1.00 13.33 H new ATOM 0 HG23 VAL A 747 1.262 -5.318 -9.058 1.00 13.33 H new ATOM 649 N ASP A 748 2.127 -9.703 -9.930 1.00 43.54 N ATOM 650 CA ASP A 748 2.730 -11.004 -10.166 1.00 44.52 C ATOM 651 C ASP A 748 2.439 -11.963 -9.020 1.00 2.22 C ATOM 652 O ASP A 748 2.319 -11.555 -7.866 1.00 34.41 O ATOM 653 CB ASP A 748 4.242 -10.855 -10.353 1.00 44.03 C ATOM 654 CG ASP A 748 4.917 -12.159 -10.724 1.00 74.22 C ATOM 655 OD1 ASP A 748 4.898 -12.523 -11.919 1.00 20.34 O ATOM 656 OD2 ASP A 748 5.477 -12.820 -9.830 1.00 41.55 O ATOM 0 H ASP A 748 2.096 -9.417 -8.952 1.00 43.54 H new ATOM 0 HA ASP A 748 2.293 -11.419 -11.074 1.00 44.52 H new ATOM 0 HB2 ASP A 748 4.437 -10.116 -11.130 1.00 44.03 H new ATOM 0 HB3 ASP A 748 4.682 -10.472 -9.432 1.00 44.03 H new ATOM 661 N GLN A 749 2.318 -13.237 -9.355 1.00 64.14 N ATOM 662 CA GLN A 749 2.102 -14.286 -8.372 1.00 12.02 C ATOM 663 C GLN A 749 2.899 -15.517 -8.778 1.00 71.34 C ATOM 664 O GLN A 749 2.437 -16.338 -9.575 1.00 5.00 O ATOM 665 CB GLN A 749 0.616 -14.628 -8.265 1.00 24.40 C ATOM 666 CG GLN A 749 0.312 -15.734 -7.267 1.00 53.20 C ATOM 667 CD GLN A 749 -1.157 -16.109 -7.239 1.00 43.31 C ATOM 668 OE1 GLN A 749 -2.018 -15.147 -7.521 1.00 50.43 O flip ATOM 669 NE2 GLN A 749 -1.515 -17.254 -6.969 1.00 0.24 N flip ATOM 0 H GLN A 749 2.367 -13.573 -10.317 1.00 64.14 H new ATOM 0 HA GLN A 749 2.437 -13.938 -7.395 1.00 12.02 H new ATOM 0 HB2 GLN A 749 0.066 -13.732 -7.979 1.00 24.40 H new ATOM 0 HB3 GLN A 749 0.250 -14.927 -9.247 1.00 24.40 H new ATOM 0 HG2 GLN A 749 0.903 -16.615 -7.516 1.00 53.20 H new ATOM 0 HG3 GLN A 749 0.620 -15.414 -6.272 1.00 53.20 H new ATOM 0 HE21 GLN A 749 -0.819 -17.969 -6.757 1.00 0.24 H new ATOM 0 HE22 GLN A 749 -2.508 -17.489 -6.957 1.00 0.24 H new ATOM 678 N SER A 750 4.101 -15.626 -8.247 1.00 13.11 N ATOM 679 CA SER A 750 5.025 -16.666 -8.658 1.00 41.25 C ATOM 680 C SER A 750 5.580 -17.393 -7.434 1.00 4.03 C ATOM 681 O SER A 750 5.267 -17.031 -6.296 1.00 13.43 O ATOM 682 CB SER A 750 6.157 -16.037 -9.479 1.00 21.33 C ATOM 683 OG SER A 750 6.975 -17.017 -10.093 1.00 54.21 O ATOM 0 H SER A 750 4.463 -15.003 -7.525 1.00 13.11 H new ATOM 0 HA SER A 750 4.503 -17.398 -9.275 1.00 41.25 H new ATOM 0 HB2 SER A 750 5.732 -15.388 -10.245 1.00 21.33 H new ATOM 0 HB3 SER A 750 6.768 -15.408 -8.832 1.00 21.33 H new ATOM 0 HG SER A 750 7.683 -16.576 -10.608 1.00 54.21 H new ATOM 689 N GLY A 751 6.389 -18.415 -7.668 1.00 52.23 N ATOM 690 CA GLY A 751 6.964 -19.167 -6.575 1.00 63.22 C ATOM 691 C GLY A 751 6.300 -20.517 -6.392 1.00 35.41 C ATOM 692 O GLY A 751 5.429 -20.898 -7.179 1.00 74.30 O ATOM 0 H GLY A 751 6.657 -18.737 -8.598 1.00 52.23 H new ATOM 0 HA2 GLY A 751 8.029 -19.310 -6.757 1.00 63.22 H new ATOM 0 HA3 GLY A 751 6.872 -18.592 -5.654 1.00 63.22 H new ATOM 696 N PRO A 752 6.700 -21.268 -5.357 1.00 62.02 N ATOM 697 CA PRO A 752 6.129 -22.581 -5.061 1.00 63.00 C ATOM 698 C PRO A 752 4.723 -22.471 -4.472 1.00 31.55 C ATOM 699 O PRO A 752 4.360 -21.439 -3.913 1.00 42.45 O ATOM 700 CB PRO A 752 7.100 -23.161 -4.033 1.00 33.41 C ATOM 701 CG PRO A 752 7.692 -21.976 -3.355 1.00 75.22 C ATOM 702 CD PRO A 752 7.743 -20.884 -4.388 1.00 10.45 C ATOM 0 HA PRO A 752 6.019 -23.197 -5.953 1.00 63.00 H new ATOM 0 HB2 PRO A 752 6.584 -23.806 -3.322 1.00 33.41 H new ATOM 0 HB3 PRO A 752 7.869 -23.767 -4.513 1.00 33.41 H new ATOM 0 HG2 PRO A 752 7.088 -21.675 -2.499 1.00 75.22 H new ATOM 0 HG3 PRO A 752 8.689 -22.201 -2.977 1.00 75.22 H new ATOM 0 HD2 PRO A 752 7.540 -19.907 -3.948 1.00 10.45 H new ATOM 0 HD3 PRO A 752 8.724 -20.824 -4.859 1.00 10.45 H new ATOM 710 N PRO A 753 3.917 -23.539 -4.574 1.00 73.10 N ATOM 711 CA PRO A 753 2.532 -23.535 -4.089 1.00 22.15 C ATOM 712 C PRO A 753 2.435 -23.330 -2.577 1.00 62.31 C ATOM 713 O PRO A 753 1.405 -22.891 -2.068 1.00 24.30 O ATOM 714 CB PRO A 753 2.003 -24.920 -4.479 1.00 11.01 C ATOM 715 CG PRO A 753 3.218 -25.760 -4.681 1.00 31.41 C ATOM 716 CD PRO A 753 4.284 -24.829 -5.181 1.00 12.35 C ATOM 0 HA PRO A 753 1.961 -22.712 -4.520 1.00 22.15 H new ATOM 0 HB2 PRO A 753 1.365 -25.332 -3.697 1.00 11.01 H new ATOM 0 HB3 PRO A 753 1.403 -24.871 -5.388 1.00 11.01 H new ATOM 0 HG2 PRO A 753 3.522 -26.237 -3.749 1.00 31.41 H new ATOM 0 HG3 PRO A 753 3.027 -26.557 -5.400 1.00 31.41 H new ATOM 0 HD2 PRO A 753 5.278 -25.152 -4.871 1.00 12.35 H new ATOM 0 HD3 PRO A 753 4.292 -24.774 -6.270 1.00 12.35 H new ATOM 724 N HIS A 754 3.511 -23.642 -1.863 1.00 2.13 N ATOM 725 CA HIS A 754 3.534 -23.485 -0.413 1.00 35.21 C ATOM 726 C HIS A 754 4.073 -22.110 -0.022 1.00 11.13 C ATOM 727 O HIS A 754 4.037 -21.725 1.148 1.00 1.50 O ATOM 728 CB HIS A 754 4.368 -24.594 0.245 1.00 75.21 C ATOM 729 CG HIS A 754 5.809 -24.619 -0.174 1.00 34.54 C ATOM 730 ND1 HIS A 754 6.232 -25.378 -1.239 1.00 3.14 N ATOM 731 CD2 HIS A 754 6.876 -23.978 0.363 1.00 23.14 C ATOM 732 CE1 HIS A 754 7.539 -25.183 -1.327 1.00 74.15 C ATOM 733 NE2 HIS A 754 7.970 -24.344 -0.376 1.00 30.42 N ATOM 0 H HIS A 754 4.377 -24.004 -2.263 1.00 2.13 H new ATOM 0 HA HIS A 754 2.509 -23.567 -0.052 1.00 35.21 H new ATOM 0 HB2 HIS A 754 4.319 -24.475 1.327 1.00 75.21 H new ATOM 0 HB3 HIS A 754 3.917 -25.558 0.010 1.00 75.21 H new ATOM 0 HD2 HIS A 754 6.866 -23.308 1.210 1.00 23.14 H new ATOM 0 HE1 HIS A 754 8.175 -25.641 -2.070 1.00 74.15 H new ATOM 0 HE2 HIS A 754 8.931 -24.036 -0.230 1.00 30.42 H new ATOM 741 N GLU A 755 4.565 -21.369 -1.007 1.00 60.05 N ATOM 742 CA GLU A 755 5.110 -20.036 -0.777 1.00 42.35 C ATOM 743 C GLU A 755 4.851 -19.125 -1.975 1.00 23.14 C ATOM 744 O GLU A 755 5.789 -18.676 -2.636 1.00 11.42 O ATOM 745 CB GLU A 755 6.613 -20.110 -0.493 1.00 60.42 C ATOM 746 CG GLU A 755 6.970 -19.935 0.972 1.00 2.01 C ATOM 747 CD GLU A 755 6.651 -18.545 1.478 1.00 23.30 C ATOM 748 OE1 GLU A 755 7.395 -17.600 1.143 1.00 21.44 O ATOM 749 OE2 GLU A 755 5.657 -18.389 2.224 1.00 21.02 O ATOM 0 H GLU A 755 4.598 -21.671 -1.981 1.00 60.05 H new ATOM 0 HA GLU A 755 4.606 -19.615 0.093 1.00 42.35 H new ATOM 0 HB2 GLU A 755 6.991 -21.073 -0.837 1.00 60.42 H new ATOM 0 HB3 GLU A 755 7.121 -19.342 -1.075 1.00 60.42 H new ATOM 0 HG2 GLU A 755 6.427 -20.669 1.566 1.00 2.01 H new ATOM 0 HG3 GLU A 755 8.032 -20.135 1.111 1.00 2.01 H new ATOM 756 N PRO A 756 3.572 -18.848 -2.279 1.00 0.22 N ATOM 757 CA PRO A 756 3.211 -17.986 -3.398 1.00 33.33 C ATOM 758 C PRO A 756 3.541 -16.528 -3.103 1.00 24.12 C ATOM 759 O PRO A 756 3.081 -15.960 -2.111 1.00 11.30 O ATOM 760 CB PRO A 756 1.701 -18.189 -3.542 1.00 72.20 C ATOM 761 CG PRO A 756 1.238 -18.599 -2.187 1.00 72.52 C ATOM 762 CD PRO A 756 2.383 -19.340 -1.552 1.00 55.22 C ATOM 0 HA PRO A 756 3.759 -18.230 -4.308 1.00 33.33 H new ATOM 0 HB2 PRO A 756 1.209 -17.273 -3.867 1.00 72.20 H new ATOM 0 HB3 PRO A 756 1.474 -18.954 -4.285 1.00 72.20 H new ATOM 0 HG2 PRO A 756 0.961 -17.729 -1.592 1.00 72.52 H new ATOM 0 HG3 PRO A 756 0.354 -19.234 -2.254 1.00 72.52 H new ATOM 0 HD2 PRO A 756 2.452 -19.130 -0.485 1.00 55.22 H new ATOM 0 HD3 PRO A 756 2.268 -20.419 -1.658 1.00 55.22 H new ATOM 770 N LYS A 757 4.355 -15.931 -3.952 1.00 1.40 N ATOM 771 CA LYS A 757 4.770 -14.559 -3.752 1.00 73.32 C ATOM 772 C LYS A 757 3.841 -13.611 -4.499 1.00 52.52 C ATOM 773 O LYS A 757 3.807 -13.593 -5.733 1.00 42.20 O ATOM 774 CB LYS A 757 6.213 -14.364 -4.211 1.00 22.53 C ATOM 775 CG LYS A 757 6.830 -13.062 -3.728 1.00 44.44 C ATOM 776 CD LYS A 757 6.980 -13.040 -2.209 1.00 21.12 C ATOM 777 CE LYS A 757 8.302 -13.644 -1.747 1.00 23.03 C ATOM 778 NZ LYS A 757 8.456 -15.079 -2.125 1.00 23.43 N ATOM 0 H LYS A 757 4.741 -16.375 -4.785 1.00 1.40 H new ATOM 0 HA LYS A 757 4.714 -14.332 -2.687 1.00 73.32 H new ATOM 0 HB2 LYS A 757 6.816 -15.198 -3.852 1.00 22.53 H new ATOM 0 HB3 LYS A 757 6.247 -14.391 -5.300 1.00 22.53 H new ATOM 0 HG2 LYS A 757 7.807 -12.927 -4.193 1.00 44.44 H new ATOM 0 HG3 LYS A 757 6.208 -12.225 -4.045 1.00 44.44 H new ATOM 0 HD2 LYS A 757 6.910 -12.012 -1.854 1.00 21.12 H new ATOM 0 HD3 LYS A 757 6.155 -13.590 -1.757 1.00 21.12 H new ATOM 0 HE2 LYS A 757 9.125 -13.072 -2.175 1.00 23.03 H new ATOM 0 HE3 LYS A 757 8.378 -13.550 -0.664 1.00 23.03 H new ATOM 0 HZ1 LYS A 757 9.224 -15.505 -1.567 1.00 23.43 H new ATOM 0 HZ2 LYS A 757 7.568 -15.585 -1.935 1.00 23.43 H new ATOM 0 HZ3 LYS A 757 8.684 -15.149 -3.137 1.00 23.43 H new ATOM 792 N PHE A 758 3.085 -12.839 -3.741 1.00 31.20 N ATOM 793 CA PHE A 758 2.121 -11.914 -4.302 1.00 73.04 C ATOM 794 C PHE A 758 2.728 -10.525 -4.431 1.00 72.10 C ATOM 795 O PHE A 758 2.946 -9.834 -3.435 1.00 0.43 O ATOM 796 CB PHE A 758 0.870 -11.850 -3.422 1.00 65.44 C ATOM 797 CG PHE A 758 0.196 -13.178 -3.228 1.00 14.03 C ATOM 798 CD1 PHE A 758 -0.717 -13.647 -4.155 1.00 24.34 C ATOM 799 CD2 PHE A 758 0.477 -13.952 -2.115 1.00 62.21 C ATOM 800 CE1 PHE A 758 -1.343 -14.865 -3.974 1.00 23.43 C ATOM 801 CE2 PHE A 758 -0.143 -15.171 -1.930 1.00 40.51 C ATOM 802 CZ PHE A 758 -1.055 -15.629 -2.860 1.00 3.42 C ATOM 0 H PHE A 758 3.122 -12.836 -2.722 1.00 31.20 H new ATOM 0 HA PHE A 758 1.842 -12.272 -5.293 1.00 73.04 H new ATOM 0 HB2 PHE A 758 1.143 -11.446 -2.447 1.00 65.44 H new ATOM 0 HB3 PHE A 758 0.159 -11.154 -3.867 1.00 65.44 H new ATOM 0 HD1 PHE A 758 -0.943 -13.055 -5.029 1.00 24.34 H new ATOM 0 HD2 PHE A 758 1.189 -13.598 -1.384 1.00 62.21 H new ATOM 0 HE1 PHE A 758 -2.057 -15.219 -4.703 1.00 23.43 H new ATOM 0 HE2 PHE A 758 0.085 -15.766 -1.058 1.00 40.51 H new ATOM 0 HZ PHE A 758 -1.542 -16.582 -2.717 1.00 3.42 H new ATOM 812 N VAL A 759 3.014 -10.129 -5.658 1.00 71.35 N ATOM 813 CA VAL A 759 3.558 -8.812 -5.923 1.00 13.21 C ATOM 814 C VAL A 759 2.427 -7.806 -6.077 1.00 35.54 C ATOM 815 O VAL A 759 1.803 -7.713 -7.136 1.00 12.34 O ATOM 816 CB VAL A 759 4.432 -8.802 -7.195 1.00 52.43 C ATOM 817 CG1 VAL A 759 5.084 -7.442 -7.391 1.00 64.13 C ATOM 818 CG2 VAL A 759 5.482 -9.901 -7.132 1.00 51.32 C ATOM 0 H VAL A 759 2.877 -10.704 -6.489 1.00 71.35 H new ATOM 0 HA VAL A 759 4.188 -8.537 -5.077 1.00 13.21 H new ATOM 0 HB VAL A 759 3.788 -8.995 -8.053 1.00 52.43 H new ATOM 0 HG11 VAL A 759 5.695 -7.458 -8.293 1.00 64.13 H new ATOM 0 HG12 VAL A 759 4.312 -6.679 -7.489 1.00 64.13 H new ATOM 0 HG13 VAL A 759 5.713 -7.213 -6.531 1.00 64.13 H new ATOM 0 HG21 VAL A 759 6.088 -9.878 -8.038 1.00 51.32 H new ATOM 0 HG22 VAL A 759 6.121 -9.744 -6.263 1.00 51.32 H new ATOM 0 HG23 VAL A 759 4.990 -10.870 -7.050 1.00 51.32 H new ATOM 828 N TYR A 760 2.144 -7.084 -5.010 1.00 74.25 N ATOM 829 CA TYR A 760 1.099 -6.076 -5.026 1.00 54.00 C ATOM 830 C TYR A 760 1.697 -4.698 -5.246 1.00 14.23 C ATOM 831 O TYR A 760 2.767 -4.380 -4.722 1.00 23.44 O ATOM 832 CB TYR A 760 0.302 -6.092 -3.720 1.00 65.11 C ATOM 833 CG TYR A 760 -0.932 -6.964 -3.764 1.00 64.25 C ATOM 834 CD1 TYR A 760 -2.145 -6.446 -4.197 1.00 0.44 C ATOM 835 CD2 TYR A 760 -0.887 -8.296 -3.374 1.00 33.14 C ATOM 836 CE1 TYR A 760 -3.281 -7.230 -4.241 1.00 15.22 C ATOM 837 CE2 TYR A 760 -2.020 -9.087 -3.415 1.00 62.23 C ATOM 838 CZ TYR A 760 -3.213 -8.549 -3.850 1.00 61.12 C ATOM 839 OH TYR A 760 -4.343 -9.331 -3.890 1.00 24.44 O ATOM 0 H TYR A 760 2.626 -7.177 -4.116 1.00 74.25 H new ATOM 0 HA TYR A 760 0.422 -6.308 -5.848 1.00 54.00 H new ATOM 0 HB2 TYR A 760 0.950 -6.438 -2.915 1.00 65.11 H new ATOM 0 HB3 TYR A 760 0.005 -5.072 -3.475 1.00 65.11 H new ATOM 0 HD1 TYR A 760 -2.201 -5.412 -4.505 1.00 0.44 H new ATOM 0 HD2 TYR A 760 0.046 -8.720 -3.034 1.00 33.14 H new ATOM 0 HE1 TYR A 760 -4.217 -6.811 -4.580 1.00 15.22 H new ATOM 0 HE2 TYR A 760 -1.971 -10.121 -3.108 1.00 62.23 H new ATOM 0 HH TYR A 760 -4.145 -10.168 -4.361 1.00 24.44 H new ATOM 849 N GLN A 761 1.010 -3.888 -6.027 1.00 74.04 N ATOM 850 CA GLN A 761 1.450 -2.534 -6.285 1.00 44.01 C ATOM 851 C GLN A 761 0.271 -1.581 -6.179 1.00 53.22 C ATOM 852 O GLN A 761 -0.788 -1.816 -6.770 1.00 0.54 O ATOM 853 CB GLN A 761 2.104 -2.445 -7.664 1.00 55.22 C ATOM 854 CG GLN A 761 2.767 -1.109 -7.947 1.00 62.21 C ATOM 855 CD GLN A 761 3.659 -1.153 -9.171 1.00 72.34 C ATOM 856 OE1 GLN A 761 3.420 -1.917 -10.108 1.00 75.24 O ATOM 857 NE2 GLN A 761 4.696 -0.334 -9.171 1.00 44.23 N ATOM 0 H GLN A 761 0.141 -4.147 -6.495 1.00 74.04 H new ATOM 0 HA GLN A 761 2.193 -2.249 -5.540 1.00 44.01 H new ATOM 0 HB2 GLN A 761 2.849 -3.235 -7.753 1.00 55.22 H new ATOM 0 HB3 GLN A 761 1.348 -2.633 -8.426 1.00 55.22 H new ATOM 0 HG2 GLN A 761 1.999 -0.348 -8.088 1.00 62.21 H new ATOM 0 HG3 GLN A 761 3.358 -0.809 -7.081 1.00 62.21 H new ATOM 0 HE21 GLN A 761 4.859 0.283 -8.375 1.00 44.23 H new ATOM 0 HE22 GLN A 761 5.334 -0.319 -9.967 1.00 44.23 H new ATOM 866 N ALA A 762 0.447 -0.522 -5.403 1.00 11.53 N ATOM 867 CA ALA A 762 -0.616 0.442 -5.180 1.00 61.55 C ATOM 868 C ALA A 762 -0.629 1.497 -6.278 1.00 54.53 C ATOM 869 O ALA A 762 0.335 2.239 -6.468 1.00 74.54 O ATOM 870 CB ALA A 762 -0.472 1.079 -3.806 1.00 61.42 C ATOM 0 H ALA A 762 1.318 -0.310 -4.917 1.00 11.53 H new ATOM 0 HA ALA A 762 -1.572 -0.081 -5.213 1.00 61.55 H new ATOM 0 HB1 ALA A 762 -1.276 1.799 -3.653 1.00 61.42 H new ATOM 0 HB2 ALA A 762 -0.526 0.306 -3.039 1.00 61.42 H new ATOM 0 HB3 ALA A 762 0.489 1.588 -3.740 1.00 61.42 H new ATOM 876 N LYS A 763 -1.723 1.529 -7.012 1.00 55.13 N ATOM 877 CA LYS A 763 -1.920 2.489 -8.080 1.00 41.03 C ATOM 878 C LYS A 763 -2.670 3.702 -7.544 1.00 22.30 C ATOM 879 O LYS A 763 -3.855 3.612 -7.224 1.00 0.41 O ATOM 880 CB LYS A 763 -2.720 1.837 -9.207 1.00 2.10 C ATOM 881 CG LYS A 763 -2.989 2.744 -10.391 1.00 71.00 C ATOM 882 CD LYS A 763 -4.117 2.190 -11.242 1.00 22.13 C ATOM 883 CE LYS A 763 -4.376 3.044 -12.469 1.00 64.43 C ATOM 884 NZ LYS A 763 -5.727 2.792 -13.030 1.00 3.11 N ATOM 0 H LYS A 763 -2.505 0.886 -6.884 1.00 55.13 H new ATOM 0 HA LYS A 763 -0.953 2.811 -8.466 1.00 41.03 H new ATOM 0 HB2 LYS A 763 -2.182 0.956 -9.555 1.00 2.10 H new ATOM 0 HB3 LYS A 763 -3.673 1.491 -8.806 1.00 2.10 H new ATOM 0 HG2 LYS A 763 -3.248 3.743 -10.040 1.00 71.00 H new ATOM 0 HG3 LYS A 763 -2.086 2.842 -10.993 1.00 71.00 H new ATOM 0 HD2 LYS A 763 -3.872 1.174 -11.552 1.00 22.13 H new ATOM 0 HD3 LYS A 763 -5.026 2.130 -10.644 1.00 22.13 H new ATOM 0 HE2 LYS A 763 -4.280 4.098 -12.207 1.00 64.43 H new ATOM 0 HE3 LYS A 763 -3.621 2.834 -13.226 1.00 64.43 H new ATOM 0 HZ1 LYS A 763 -5.912 3.462 -13.804 1.00 3.11 H new ATOM 0 HZ2 LYS A 763 -5.776 1.819 -13.395 1.00 3.11 H new ATOM 0 HZ3 LYS A 763 -6.441 2.918 -12.285 1.00 3.11 H new ATOM 898 N VAL A 764 -1.980 4.823 -7.421 1.00 60.45 N ATOM 899 CA VAL A 764 -2.589 6.034 -6.891 1.00 40.35 C ATOM 900 C VAL A 764 -2.345 7.217 -7.819 1.00 42.11 C ATOM 901 O VAL A 764 -1.221 7.709 -7.932 1.00 65.34 O ATOM 902 CB VAL A 764 -2.049 6.376 -5.483 1.00 53.52 C ATOM 903 CG1 VAL A 764 -2.793 7.566 -4.898 1.00 45.14 C ATOM 904 CG2 VAL A 764 -2.146 5.176 -4.555 1.00 12.14 C ATOM 0 H VAL A 764 -0.998 4.921 -7.680 1.00 60.45 H new ATOM 0 HA VAL A 764 -3.660 5.843 -6.819 1.00 40.35 H new ATOM 0 HB VAL A 764 -0.997 6.642 -5.582 1.00 53.52 H new ATOM 0 HG11 VAL A 764 -2.398 7.791 -3.907 1.00 45.14 H new ATOM 0 HG12 VAL A 764 -2.661 8.432 -5.546 1.00 45.14 H new ATOM 0 HG13 VAL A 764 -3.854 7.329 -4.821 1.00 45.14 H new ATOM 0 HG21 VAL A 764 -1.760 5.444 -3.572 1.00 12.14 H new ATOM 0 HG22 VAL A 764 -3.188 4.870 -4.464 1.00 12.14 H new ATOM 0 HG23 VAL A 764 -1.560 4.352 -4.963 1.00 12.14 H new ATOM 914 N GLY A 765 -3.398 7.656 -8.499 1.00 40.30 N ATOM 915 CA GLY A 765 -3.301 8.819 -9.365 1.00 15.52 C ATOM 916 C GLY A 765 -2.459 8.560 -10.592 1.00 41.15 C ATOM 917 O GLY A 765 -1.895 9.485 -11.178 1.00 4.32 O ATOM 0 H GLY A 765 -4.322 7.226 -8.466 1.00 40.30 H new ATOM 0 HA2 GLY A 765 -4.302 9.123 -9.673 1.00 15.52 H new ATOM 0 HA3 GLY A 765 -2.874 9.650 -8.804 1.00 15.52 H new ATOM 921 N GLY A 766 -2.371 7.300 -10.987 1.00 73.11 N ATOM 922 CA GLY A 766 -1.546 6.938 -12.117 1.00 14.23 C ATOM 923 C GLY A 766 -0.140 6.573 -11.694 1.00 72.45 C ATOM 924 O GLY A 766 0.647 6.066 -12.492 1.00 14.42 O ATOM 0 H GLY A 766 -2.858 6.521 -10.544 1.00 73.11 H new ATOM 0 HA2 GLY A 766 -1.998 6.096 -12.641 1.00 14.23 H new ATOM 0 HA3 GLY A 766 -1.509 7.769 -12.821 1.00 14.23 H new ATOM 928 N ARG A 767 0.177 6.838 -10.434 1.00 61.03 N ATOM 929 CA ARG A 767 1.473 6.486 -9.883 1.00 14.14 C ATOM 930 C ARG A 767 1.422 5.104 -9.259 1.00 62.31 C ATOM 931 O ARG A 767 0.548 4.807 -8.448 1.00 64.33 O ATOM 932 CB ARG A 767 1.924 7.520 -8.853 1.00 53.31 C ATOM 933 CG ARG A 767 2.427 8.805 -9.481 1.00 42.15 C ATOM 934 CD ARG A 767 3.684 8.555 -10.295 1.00 43.33 C ATOM 935 NE ARG A 767 4.120 9.746 -11.018 1.00 45.41 N ATOM 936 CZ ARG A 767 5.272 9.828 -11.677 1.00 2.52 C ATOM 937 NH1 ARG A 767 6.123 8.809 -11.655 1.00 73.41 N ATOM 938 NH2 ARG A 767 5.580 10.931 -12.347 1.00 34.34 N ATOM 0 H ARG A 767 -0.450 7.298 -9.774 1.00 61.03 H new ATOM 0 HA ARG A 767 2.199 6.476 -10.696 1.00 14.14 H new ATOM 0 HB2 ARG A 767 1.091 7.749 -8.188 1.00 53.31 H new ATOM 0 HB3 ARG A 767 2.714 7.090 -8.237 1.00 53.31 H new ATOM 0 HG2 ARG A 767 1.653 9.229 -10.121 1.00 42.15 H new ATOM 0 HG3 ARG A 767 2.634 9.539 -8.702 1.00 42.15 H new ATOM 0 HD2 ARG A 767 4.483 8.221 -9.633 1.00 43.33 H new ATOM 0 HD3 ARG A 767 3.501 7.748 -11.005 1.00 43.33 H new ATOM 0 HE ARG A 767 3.507 10.561 -11.018 1.00 45.41 H new ATOM 0 HH11 ARG A 767 5.893 7.964 -11.133 1.00 73.41 H new ATOM 0 HH12 ARG A 767 7.007 8.872 -12.160 1.00 73.41 H new ATOM 0 HH21 ARG A 767 4.932 11.719 -12.357 1.00 34.34 H new ATOM 0 HH22 ARG A 767 6.464 10.991 -12.852 1.00 34.34 H new ATOM 952 N TRP A 768 2.360 4.269 -9.653 1.00 50.24 N ATOM 953 CA TRP A 768 2.396 2.889 -9.207 1.00 31.05 C ATOM 954 C TRP A 768 3.480 2.712 -8.155 1.00 31.51 C ATOM 955 O TRP A 768 4.656 2.539 -8.483 1.00 34.11 O ATOM 956 CB TRP A 768 2.654 1.959 -10.400 1.00 72.10 C ATOM 957 CG TRP A 768 1.680 2.149 -11.521 1.00 30.53 C ATOM 958 CD1 TRP A 768 1.707 3.128 -12.473 1.00 2.41 C ATOM 959 CD2 TRP A 768 0.535 1.342 -11.811 1.00 11.41 C ATOM 960 NE1 TRP A 768 0.643 2.985 -13.328 1.00 35.04 N ATOM 961 CE2 TRP A 768 -0.090 1.895 -12.946 1.00 71.25 C ATOM 962 CE3 TRP A 768 -0.026 0.205 -11.223 1.00 63.34 C ATOM 963 CZ2 TRP A 768 -1.245 1.355 -13.500 1.00 73.23 C ATOM 964 CZ3 TRP A 768 -1.172 -0.332 -11.777 1.00 43.42 C ATOM 965 CH2 TRP A 768 -1.771 0.243 -12.904 1.00 34.40 C ATOM 0 H TRP A 768 3.116 4.524 -10.288 1.00 50.24 H new ATOM 0 HA TRP A 768 1.433 2.632 -8.765 1.00 31.05 H new ATOM 0 HB2 TRP A 768 3.664 2.129 -10.773 1.00 72.10 H new ATOM 0 HB3 TRP A 768 2.610 0.924 -10.061 1.00 72.10 H new ATOM 0 HD1 TRP A 768 2.457 3.902 -12.543 1.00 2.41 H new ATOM 0 HE1 TRP A 768 0.433 3.593 -14.120 1.00 35.04 H new ATOM 0 HE3 TRP A 768 0.428 -0.245 -10.352 1.00 63.34 H new ATOM 0 HZ2 TRP A 768 -1.709 1.798 -14.369 1.00 73.23 H new ATOM 0 HZ3 TRP A 768 -1.614 -1.212 -11.332 1.00 43.42 H new ATOM 0 HH2 TRP A 768 -2.667 -0.201 -13.311 1.00 34.40 H new ATOM 976 N PHE A 769 3.088 2.775 -6.892 1.00 11.13 N ATOM 977 CA PHE A 769 4.038 2.671 -5.794 1.00 13.11 C ATOM 978 C PHE A 769 3.315 2.341 -4.496 1.00 71.02 C ATOM 979 O PHE A 769 2.238 2.867 -4.221 1.00 31.44 O ATOM 980 CB PHE A 769 4.841 3.976 -5.640 1.00 72.24 C ATOM 981 CG PHE A 769 4.052 5.134 -5.089 1.00 52.11 C ATOM 982 CD1 PHE A 769 3.150 5.822 -5.883 1.00 31.32 C ATOM 983 CD2 PHE A 769 4.215 5.530 -3.770 1.00 32.15 C ATOM 984 CE1 PHE A 769 2.425 6.884 -5.373 1.00 10.43 C ATOM 985 CE2 PHE A 769 3.494 6.589 -3.255 1.00 4.33 C ATOM 986 CZ PHE A 769 2.597 7.266 -4.059 1.00 34.25 C ATOM 0 H PHE A 769 2.118 2.898 -6.601 1.00 11.13 H new ATOM 0 HA PHE A 769 4.735 1.864 -6.022 1.00 13.11 H new ATOM 0 HB2 PHE A 769 5.692 3.789 -4.985 1.00 72.24 H new ATOM 0 HB3 PHE A 769 5.243 4.257 -6.613 1.00 72.24 H new ATOM 0 HD1 PHE A 769 3.011 5.526 -6.912 1.00 31.32 H new ATOM 0 HD2 PHE A 769 4.915 5.004 -3.138 1.00 32.15 H new ATOM 0 HE1 PHE A 769 1.725 7.413 -6.003 1.00 10.43 H new ATOM 0 HE2 PHE A 769 3.631 6.887 -2.226 1.00 4.33 H new ATOM 0 HZ PHE A 769 2.031 8.094 -3.659 1.00 34.25 H new ATOM 996 N PRO A 770 3.888 1.446 -3.688 1.00 54.14 N ATOM 997 CA PRO A 770 5.109 0.736 -4.022 1.00 22.21 C ATOM 998 C PRO A 770 4.822 -0.627 -4.642 1.00 0.34 C ATOM 999 O PRO A 770 3.666 -1.048 -4.731 1.00 23.22 O ATOM 1000 CB PRO A 770 5.757 0.576 -2.652 1.00 72.12 C ATOM 1001 CG PRO A 770 4.605 0.404 -1.714 1.00 71.31 C ATOM 1002 CD PRO A 770 3.405 1.067 -2.356 1.00 53.02 C ATOM 0 HA PRO A 770 5.724 1.255 -4.757 1.00 22.21 H new ATOM 0 HB2 PRO A 770 6.423 -0.286 -2.626 1.00 72.12 H new ATOM 0 HB3 PRO A 770 6.355 1.449 -2.391 1.00 72.12 H new ATOM 0 HG2 PRO A 770 4.410 -0.653 -1.533 1.00 71.31 H new ATOM 0 HG3 PRO A 770 4.824 0.858 -0.747 1.00 71.31 H new ATOM 0 HD2 PRO A 770 2.556 0.386 -2.417 1.00 53.02 H new ATOM 0 HD3 PRO A 770 3.076 1.937 -1.787 1.00 53.02 H new ATOM 1010 N ALA A 771 5.867 -1.312 -5.073 1.00 30.02 N ATOM 1011 CA ALA A 771 5.731 -2.668 -5.576 1.00 60.02 C ATOM 1012 C ALA A 771 6.311 -3.649 -4.568 1.00 13.22 C ATOM 1013 O ALA A 771 7.528 -3.847 -4.507 1.00 61.31 O ATOM 1014 CB ALA A 771 6.416 -2.813 -6.928 1.00 23.24 C ATOM 0 H ALA A 771 6.821 -0.951 -5.085 1.00 30.02 H new ATOM 0 HA ALA A 771 4.673 -2.889 -5.714 1.00 60.02 H new ATOM 0 HB1 ALA A 771 6.302 -3.836 -7.286 1.00 23.24 H new ATOM 0 HB2 ALA A 771 5.961 -2.126 -7.642 1.00 23.24 H new ATOM 0 HB3 ALA A 771 7.476 -2.581 -6.826 1.00 23.24 H new ATOM 1020 N VAL A 772 5.444 -4.243 -3.761 1.00 75.42 N ATOM 1021 CA VAL A 772 5.887 -5.128 -2.695 1.00 14.33 C ATOM 1022 C VAL A 772 5.468 -6.568 -2.965 1.00 71.33 C ATOM 1023 O VAL A 772 4.320 -6.847 -3.311 1.00 54.43 O ATOM 1024 CB VAL A 772 5.354 -4.683 -1.312 1.00 54.45 C ATOM 1025 CG1 VAL A 772 5.935 -3.333 -0.923 1.00 32.12 C ATOM 1026 CG2 VAL A 772 3.832 -4.632 -1.304 1.00 62.34 C ATOM 0 H VAL A 772 4.432 -4.128 -3.824 1.00 75.42 H new ATOM 0 HA VAL A 772 6.975 -5.070 -2.676 1.00 14.33 H new ATOM 0 HB VAL A 772 5.672 -5.421 -0.575 1.00 54.45 H new ATOM 0 HG11 VAL A 772 5.548 -3.038 0.052 1.00 32.12 H new ATOM 0 HG12 VAL A 772 7.022 -3.405 -0.876 1.00 32.12 H new ATOM 0 HG13 VAL A 772 5.652 -2.587 -1.666 1.00 32.12 H new ATOM 0 HG21 VAL A 772 3.484 -4.317 -0.321 1.00 62.34 H new ATOM 0 HG22 VAL A 772 3.488 -3.922 -2.056 1.00 62.34 H new ATOM 0 HG23 VAL A 772 3.434 -5.621 -1.530 1.00 62.34 H new ATOM 1036 N CYS A 773 6.415 -7.475 -2.832 1.00 52.24 N ATOM 1037 CA CYS A 773 6.146 -8.889 -3.000 1.00 24.33 C ATOM 1038 C CYS A 773 5.977 -9.564 -1.644 1.00 0.45 C ATOM 1039 O CYS A 773 6.955 -9.885 -0.967 1.00 53.52 O ATOM 1040 CB CYS A 773 7.272 -9.544 -3.801 1.00 40.31 C ATOM 1041 SG CYS A 773 8.930 -9.155 -3.193 1.00 13.43 S ATOM 0 H CYS A 773 7.385 -7.255 -2.606 1.00 52.24 H new ATOM 0 HA CYS A 773 5.215 -9.009 -3.553 1.00 24.33 H new ATOM 0 HB2 CYS A 773 7.134 -10.625 -3.784 1.00 40.31 H new ATOM 0 HB3 CYS A 773 7.195 -9.229 -4.842 1.00 40.31 H new ATOM 0 HG CYS A 773 8.954 -9.263 -1.898 1.00 13.43 H new ATOM 1047 N ALA A 774 4.732 -9.757 -1.241 1.00 53.53 N ATOM 1048 CA ALA A 774 4.432 -10.384 0.036 1.00 22.33 C ATOM 1049 C ALA A 774 4.063 -11.843 -0.169 1.00 12.12 C ATOM 1050 O ALA A 774 3.463 -12.198 -1.179 1.00 33.21 O ATOM 1051 CB ALA A 774 3.309 -9.641 0.741 1.00 12.22 C ATOM 0 H ALA A 774 3.910 -9.488 -1.782 1.00 53.53 H new ATOM 0 HA ALA A 774 5.321 -10.338 0.666 1.00 22.33 H new ATOM 0 HB1 ALA A 774 3.097 -10.123 1.695 1.00 12.22 H new ATOM 0 HB2 ALA A 774 3.610 -8.608 0.915 1.00 12.22 H new ATOM 0 HB3 ALA A 774 2.414 -9.659 0.119 1.00 12.22 H new ATOM 1057 N HIS A 775 4.418 -12.692 0.783 1.00 33.14 N ATOM 1058 CA HIS A 775 4.140 -14.122 0.657 1.00 34.42 C ATOM 1059 C HIS A 775 2.733 -14.456 1.162 1.00 42.14 C ATOM 1060 O HIS A 775 2.408 -15.613 1.430 1.00 62.13 O ATOM 1061 CB HIS A 775 5.214 -14.961 1.376 1.00 42.32 C ATOM 1062 CG HIS A 775 5.126 -14.984 2.876 1.00 72.12 C ATOM 1063 ND1 HIS A 775 5.149 -16.155 3.598 1.00 61.31 N ATOM 1064 CD2 HIS A 775 5.039 -13.986 3.788 1.00 11.31 C ATOM 1065 CE1 HIS A 775 5.077 -15.880 4.886 1.00 3.12 C ATOM 1066 NE2 HIS A 775 5.009 -14.571 5.028 1.00 32.23 N ATOM 0 H HIS A 775 4.894 -12.424 1.644 1.00 33.14 H new ATOM 0 HA HIS A 775 4.178 -14.380 -0.401 1.00 34.42 H new ATOM 0 HB2 HIS A 775 5.153 -15.986 1.011 1.00 42.32 H new ATOM 0 HB3 HIS A 775 6.196 -14.580 1.094 1.00 42.32 H new ATOM 0 HD1 HIS A 775 5.212 -17.091 3.199 1.00 61.31 H new ATOM 0 HD2 HIS A 775 5.000 -12.927 3.578 1.00 11.31 H new ATOM 0 HE1 HIS A 775 5.074 -16.604 5.688 1.00 3.12 H new ATOM 1075 N SER A 776 1.905 -13.427 1.275 1.00 52.23 N ATOM 1076 CA SER A 776 0.509 -13.583 1.644 1.00 62.54 C ATOM 1077 C SER A 776 -0.311 -12.466 1.000 1.00 4.41 C ATOM 1078 O SER A 776 0.139 -11.320 0.931 1.00 3.01 O ATOM 1079 CB SER A 776 0.354 -13.566 3.170 1.00 14.31 C ATOM 1080 OG SER A 776 -0.990 -13.789 3.563 1.00 22.00 O ATOM 0 H SER A 776 2.185 -12.460 1.113 1.00 52.23 H new ATOM 0 HA SER A 776 0.143 -14.544 1.283 1.00 62.54 H new ATOM 0 HB2 SER A 776 0.993 -14.332 3.609 1.00 14.31 H new ATOM 0 HB3 SER A 776 0.693 -12.606 3.560 1.00 14.31 H new ATOM 0 HG SER A 776 -1.052 -13.773 4.541 1.00 22.00 H new ATOM 1086 N LYS A 777 -1.502 -12.805 0.524 1.00 43.11 N ATOM 1087 CA LYS A 777 -2.348 -11.855 -0.192 1.00 21.14 C ATOM 1088 C LYS A 777 -2.808 -10.736 0.740 1.00 44.24 C ATOM 1089 O LYS A 777 -2.809 -9.561 0.363 1.00 15.24 O ATOM 1090 CB LYS A 777 -3.548 -12.594 -0.806 1.00 44.04 C ATOM 1091 CG LYS A 777 -4.454 -11.724 -1.668 1.00 4.50 C ATOM 1092 CD LYS A 777 -5.559 -11.067 -0.855 1.00 62.14 C ATOM 1093 CE LYS A 777 -6.402 -10.136 -1.709 1.00 55.03 C ATOM 1094 NZ LYS A 777 -7.008 -10.838 -2.874 1.00 53.20 N ATOM 0 H LYS A 777 -1.907 -13.736 0.621 1.00 43.11 H new ATOM 0 HA LYS A 777 -1.772 -11.398 -0.996 1.00 21.14 H new ATOM 0 HB2 LYS A 777 -3.178 -13.421 -1.411 1.00 44.04 H new ATOM 0 HB3 LYS A 777 -4.141 -13.028 -0.001 1.00 44.04 H new ATOM 0 HG2 LYS A 777 -3.858 -10.954 -2.157 1.00 4.50 H new ATOM 0 HG3 LYS A 777 -4.897 -12.333 -2.456 1.00 4.50 H new ATOM 0 HD2 LYS A 777 -6.195 -11.836 -0.417 1.00 62.14 H new ATOM 0 HD3 LYS A 777 -5.120 -10.507 -0.029 1.00 62.14 H new ATOM 0 HE2 LYS A 777 -7.192 -9.701 -1.098 1.00 55.03 H new ATOM 0 HE3 LYS A 777 -5.784 -9.312 -2.065 1.00 55.03 H new ATOM 0 HZ1 LYS A 777 -7.717 -10.222 -3.320 1.00 53.20 H new ATOM 0 HZ2 LYS A 777 -6.266 -11.069 -3.565 1.00 53.20 H new ATOM 0 HZ3 LYS A 777 -7.465 -11.715 -2.552 1.00 53.20 H new ATOM 1108 N LYS A 778 -3.190 -11.111 1.953 1.00 4.51 N ATOM 1109 CA LYS A 778 -3.604 -10.151 2.972 1.00 21.20 C ATOM 1110 C LYS A 778 -2.464 -9.184 3.291 1.00 3.10 C ATOM 1111 O LYS A 778 -2.686 -7.995 3.530 1.00 42.02 O ATOM 1112 CB LYS A 778 -4.049 -10.902 4.232 1.00 25.45 C ATOM 1113 CG LYS A 778 -4.449 -10.006 5.394 1.00 41.13 C ATOM 1114 CD LYS A 778 -5.654 -9.143 5.057 1.00 33.21 C ATOM 1115 CE LYS A 778 -6.063 -8.283 6.241 1.00 51.21 C ATOM 1116 NZ LYS A 778 -7.233 -7.424 5.926 1.00 53.25 N ATOM 0 H LYS A 778 -3.222 -12.083 2.259 1.00 4.51 H new ATOM 0 HA LYS A 778 -4.443 -9.567 2.594 1.00 21.20 H new ATOM 0 HB2 LYS A 778 -4.893 -11.544 3.978 1.00 25.45 H new ATOM 0 HB3 LYS A 778 -3.238 -11.555 4.556 1.00 25.45 H new ATOM 0 HG2 LYS A 778 -4.675 -10.621 6.265 1.00 41.13 H new ATOM 0 HG3 LYS A 778 -3.609 -9.366 5.665 1.00 41.13 H new ATOM 0 HD2 LYS A 778 -5.421 -8.505 4.204 1.00 33.21 H new ATOM 0 HD3 LYS A 778 -6.488 -9.779 4.761 1.00 33.21 H new ATOM 0 HE2 LYS A 778 -6.302 -8.924 7.090 1.00 51.21 H new ATOM 0 HE3 LYS A 778 -5.223 -7.656 6.541 1.00 51.21 H new ATOM 0 HZ1 LYS A 778 -7.479 -6.854 6.760 1.00 53.25 H new ATOM 0 HZ2 LYS A 778 -6.998 -6.794 5.133 1.00 53.25 H new ATOM 0 HZ3 LYS A 778 -8.042 -8.022 5.664 1.00 53.25 H new ATOM 1130 N GLN A 779 -1.242 -9.700 3.278 1.00 61.11 N ATOM 1131 CA GLN A 779 -0.067 -8.877 3.517 1.00 73.03 C ATOM 1132 C GLN A 779 0.178 -7.935 2.351 1.00 71.34 C ATOM 1133 O GLN A 779 0.472 -6.764 2.556 1.00 34.52 O ATOM 1134 CB GLN A 779 1.168 -9.745 3.742 1.00 31.33 C ATOM 1135 CG GLN A 779 1.142 -10.513 5.046 1.00 11.51 C ATOM 1136 CD GLN A 779 2.339 -11.423 5.208 1.00 21.24 C ATOM 1137 OE1 GLN A 779 2.876 -11.939 4.229 1.00 21.40 O ATOM 1138 NE2 GLN A 779 2.772 -11.614 6.441 1.00 61.10 N ATOM 0 H GLN A 779 -1.040 -10.685 3.104 1.00 61.11 H new ATOM 0 HA GLN A 779 -0.253 -8.288 4.415 1.00 73.03 H new ATOM 0 HB2 GLN A 779 1.260 -10.451 2.917 1.00 31.33 H new ATOM 0 HB3 GLN A 779 2.055 -9.112 3.721 1.00 31.33 H new ATOM 0 HG2 GLN A 779 1.110 -9.809 5.878 1.00 11.51 H new ATOM 0 HG3 GLN A 779 0.229 -11.107 5.096 1.00 11.51 H new ATOM 0 HE21 GLN A 779 2.296 -11.166 7.224 1.00 61.10 H new ATOM 0 HE22 GLN A 779 3.583 -12.210 6.610 1.00 61.10 H new ATOM 1147 N GLY A 780 0.035 -8.452 1.133 1.00 0.42 N ATOM 1148 CA GLY A 780 0.298 -7.663 -0.062 1.00 25.15 C ATOM 1149 C GLY A 780 -0.406 -6.322 -0.055 1.00 44.22 C ATOM 1150 O GLY A 780 0.204 -5.294 -0.342 1.00 43.03 O ATOM 0 H GLY A 780 -0.261 -9.411 0.950 1.00 0.42 H new ATOM 0 HA2 GLY A 780 1.372 -7.502 -0.155 1.00 25.15 H new ATOM 0 HA3 GLY A 780 -0.017 -8.228 -0.940 1.00 25.15 H new ATOM 1154 N LYS A 781 -1.686 -6.331 0.290 1.00 31.43 N ATOM 1155 CA LYS A 781 -2.471 -5.103 0.355 1.00 5.44 C ATOM 1156 C LYS A 781 -1.959 -4.187 1.464 1.00 34.42 C ATOM 1157 O LYS A 781 -1.718 -2.999 1.240 1.00 45.45 O ATOM 1158 CB LYS A 781 -3.947 -5.427 0.601 1.00 71.34 C ATOM 1159 CG LYS A 781 -4.581 -6.292 -0.475 1.00 23.24 C ATOM 1160 CD LYS A 781 -6.021 -6.648 -0.129 1.00 3.21 C ATOM 1161 CE LYS A 781 -6.904 -5.411 -0.032 1.00 4.13 C ATOM 1162 NZ LYS A 781 -8.300 -5.751 0.351 1.00 43.41 N ATOM 0 H LYS A 781 -2.205 -7.176 0.530 1.00 31.43 H new ATOM 0 HA LYS A 781 -2.368 -4.589 -0.601 1.00 5.44 H new ATOM 0 HB2 LYS A 781 -4.041 -5.934 1.561 1.00 71.34 H new ATOM 0 HB3 LYS A 781 -4.505 -4.494 0.677 1.00 71.34 H new ATOM 0 HG2 LYS A 781 -4.555 -5.765 -1.429 1.00 23.24 H new ATOM 0 HG3 LYS A 781 -3.999 -7.205 -0.599 1.00 23.24 H new ATOM 0 HD2 LYS A 781 -6.421 -7.321 -0.887 1.00 3.21 H new ATOM 0 HD3 LYS A 781 -6.044 -7.186 0.819 1.00 3.21 H new ATOM 0 HE2 LYS A 781 -6.484 -4.723 0.702 1.00 4.13 H new ATOM 0 HE3 LYS A 781 -6.907 -4.892 -0.991 1.00 4.13 H new ATOM 0 HZ1 LYS A 781 -8.867 -4.881 0.406 1.00 43.41 H new ATOM 0 HZ2 LYS A 781 -8.710 -6.387 -0.362 1.00 43.41 H new ATOM 0 HZ3 LYS A 781 -8.301 -6.223 1.278 1.00 43.41 H new ATOM 1176 N GLN A 782 -1.780 -4.751 2.653 1.00 52.20 N ATOM 1177 CA GLN A 782 -1.395 -3.967 3.822 1.00 32.23 C ATOM 1178 C GLN A 782 0.019 -3.414 3.691 1.00 73.10 C ATOM 1179 O GLN A 782 0.254 -2.236 3.954 1.00 22.14 O ATOM 1180 CB GLN A 782 -1.494 -4.810 5.090 1.00 63.11 C ATOM 1181 CG GLN A 782 -2.891 -5.325 5.376 1.00 30.42 C ATOM 1182 CD GLN A 782 -2.954 -6.109 6.668 1.00 23.43 C ATOM 1183 OE1 GLN A 782 -2.705 -7.404 6.587 1.00 3.22 O flip ATOM 1184 NE2 GLN A 782 -3.221 -5.554 7.730 1.00 11.03 N flip ATOM 0 H GLN A 782 -1.895 -5.748 2.834 1.00 52.20 H new ATOM 0 HA GLN A 782 -2.087 -3.127 3.887 1.00 32.23 H new ATOM 0 HB2 GLN A 782 -0.815 -5.658 5.005 1.00 63.11 H new ATOM 0 HB3 GLN A 782 -1.156 -4.215 5.938 1.00 63.11 H new ATOM 0 HG2 GLN A 782 -3.583 -4.485 5.428 1.00 30.42 H new ATOM 0 HG3 GLN A 782 -3.220 -5.958 4.552 1.00 30.42 H new ATOM 0 HE21 GLN A 782 -3.407 -4.551 7.749 1.00 11.03 H new ATOM 0 HE22 GLN A 782 -3.257 -6.096 8.594 1.00 11.03 H new ATOM 1193 N GLU A 783 0.957 -4.264 3.288 1.00 15.22 N ATOM 1194 CA GLU A 783 2.353 -3.865 3.169 1.00 51.42 C ATOM 1195 C GLU A 783 2.517 -2.802 2.092 1.00 40.42 C ATOM 1196 O GLU A 783 3.313 -1.873 2.246 1.00 31.24 O ATOM 1197 CB GLU A 783 3.240 -5.073 2.852 1.00 43.33 C ATOM 1198 CG GLU A 783 3.181 -6.173 3.901 1.00 32.34 C ATOM 1199 CD GLU A 783 3.565 -5.692 5.285 1.00 51.14 C ATOM 1200 OE1 GLU A 783 4.776 -5.609 5.574 1.00 71.30 O ATOM 1201 OE2 GLU A 783 2.657 -5.406 6.096 1.00 73.42 O ATOM 0 H GLU A 783 0.774 -5.236 3.038 1.00 15.22 H new ATOM 0 HA GLU A 783 2.665 -3.447 4.126 1.00 51.42 H new ATOM 0 HB2 GLU A 783 2.943 -5.487 1.889 1.00 43.33 H new ATOM 0 HB3 GLU A 783 4.272 -4.737 2.750 1.00 43.33 H new ATOM 0 HG2 GLU A 783 2.172 -6.584 3.932 1.00 32.34 H new ATOM 0 HG3 GLU A 783 3.847 -6.984 3.607 1.00 32.34 H new ATOM 1208 N ALA A 784 1.755 -2.938 1.009 1.00 41.21 N ATOM 1209 CA ALA A 784 1.773 -1.954 -0.064 1.00 64.54 C ATOM 1210 C ALA A 784 1.304 -0.604 0.447 1.00 63.44 C ATOM 1211 O ALA A 784 1.991 0.400 0.287 1.00 71.00 O ATOM 1212 CB ALA A 784 0.906 -2.407 -1.232 1.00 33.42 C ATOM 0 H ALA A 784 1.119 -3.720 0.854 1.00 41.21 H new ATOM 0 HA ALA A 784 2.799 -1.858 -0.418 1.00 64.54 H new ATOM 0 HB1 ALA A 784 0.936 -1.655 -2.021 1.00 33.42 H new ATOM 0 HB2 ALA A 784 1.283 -3.354 -1.619 1.00 33.42 H new ATOM 0 HB3 ALA A 784 -0.122 -2.537 -0.893 1.00 33.42 H new ATOM 1218 N ALA A 785 0.146 -0.592 1.092 1.00 32.23 N ATOM 1219 CA ALA A 785 -0.417 0.636 1.625 1.00 55.23 C ATOM 1220 C ALA A 785 0.511 1.243 2.672 1.00 22.45 C ATOM 1221 O ALA A 785 0.757 2.445 2.671 1.00 74.12 O ATOM 1222 CB ALA A 785 -1.789 0.368 2.214 1.00 73.03 C ATOM 0 H ALA A 785 -0.422 -1.423 1.258 1.00 32.23 H new ATOM 0 HA ALA A 785 -0.522 1.354 0.811 1.00 55.23 H new ATOM 0 HB1 ALA A 785 -2.202 1.295 2.611 1.00 73.03 H new ATOM 0 HB2 ALA A 785 -2.449 -0.020 1.438 1.00 73.03 H new ATOM 0 HB3 ALA A 785 -1.704 -0.364 3.017 1.00 73.03 H new ATOM 1228 N ASP A 786 1.037 0.390 3.545 1.00 41.25 N ATOM 1229 CA ASP A 786 1.977 0.818 4.580 1.00 24.22 C ATOM 1230 C ASP A 786 3.190 1.494 3.957 1.00 0.53 C ATOM 1231 O ASP A 786 3.536 2.622 4.307 1.00 63.10 O ATOM 1232 CB ASP A 786 2.420 -0.389 5.419 1.00 32.11 C ATOM 1233 CG ASP A 786 3.455 -0.035 6.472 1.00 51.12 C ATOM 1234 OD1 ASP A 786 4.649 0.082 6.125 1.00 11.21 O ATOM 1235 OD2 ASP A 786 3.087 0.111 7.654 1.00 34.32 O ATOM 0 H ASP A 786 0.828 -0.608 3.557 1.00 41.25 H new ATOM 0 HA ASP A 786 1.475 1.538 5.227 1.00 24.22 H new ATOM 0 HB2 ASP A 786 1.548 -0.824 5.907 1.00 32.11 H new ATOM 0 HB3 ASP A 786 2.830 -1.153 4.758 1.00 32.11 H new ATOM 1240 N ALA A 787 3.813 0.807 3.007 1.00 13.33 N ATOM 1241 CA ALA A 787 5.025 1.304 2.372 1.00 64.12 C ATOM 1242 C ALA A 787 4.738 2.533 1.518 1.00 34.44 C ATOM 1243 O ALA A 787 5.612 3.374 1.315 1.00 14.12 O ATOM 1244 CB ALA A 787 5.673 0.211 1.539 1.00 21.24 C ATOM 0 H ALA A 787 3.497 -0.098 2.659 1.00 13.33 H new ATOM 0 HA ALA A 787 5.720 1.601 3.158 1.00 64.12 H new ATOM 0 HB1 ALA A 787 6.578 0.598 1.071 1.00 21.24 H new ATOM 0 HB2 ALA A 787 5.929 -0.632 2.181 1.00 21.24 H new ATOM 0 HB3 ALA A 787 4.978 -0.119 0.767 1.00 21.24 H new ATOM 1250 N ALA A 788 3.510 2.634 1.022 1.00 12.54 N ATOM 1251 CA ALA A 788 3.097 3.792 0.241 1.00 41.34 C ATOM 1252 C ALA A 788 3.065 5.041 1.112 1.00 51.04 C ATOM 1253 O ALA A 788 3.503 6.113 0.692 1.00 1.10 O ATOM 1254 CB ALA A 788 1.735 3.556 -0.392 1.00 43.20 C ATOM 0 H ALA A 788 2.784 1.928 1.147 1.00 12.54 H new ATOM 0 HA ALA A 788 3.826 3.942 -0.555 1.00 41.34 H new ATOM 0 HB1 ALA A 788 1.446 4.433 -0.971 1.00 43.20 H new ATOM 0 HB2 ALA A 788 1.785 2.688 -1.049 1.00 43.20 H new ATOM 0 HB3 ALA A 788 0.997 3.377 0.390 1.00 43.20 H new ATOM 1260 N LEU A 789 2.563 4.893 2.334 1.00 62.23 N ATOM 1261 CA LEU A 789 2.502 6.008 3.264 1.00 54.24 C ATOM 1262 C LEU A 789 3.914 6.415 3.665 1.00 3.13 C ATOM 1263 O LEU A 789 4.193 7.596 3.855 1.00 73.03 O ATOM 1264 CB LEU A 789 1.674 5.652 4.506 1.00 65.13 C ATOM 1265 CG LEU A 789 0.339 4.950 4.229 1.00 24.21 C ATOM 1266 CD1 LEU A 789 -0.418 4.703 5.525 1.00 20.14 C ATOM 1267 CD2 LEU A 789 -0.509 5.759 3.262 1.00 14.54 C ATOM 0 H LEU A 789 2.195 4.015 2.699 1.00 62.23 H new ATOM 0 HA LEU A 789 2.011 6.846 2.769 1.00 54.24 H new ATOM 0 HB2 LEU A 789 2.275 5.011 5.151 1.00 65.13 H new ATOM 0 HB3 LEU A 789 1.475 6.567 5.063 1.00 65.13 H new ATOM 0 HG LEU A 789 0.555 3.986 3.768 1.00 24.21 H new ATOM 0 HD11 LEU A 789 -1.362 4.204 5.306 1.00 20.14 H new ATOM 0 HD12 LEU A 789 0.181 4.073 6.182 1.00 20.14 H new ATOM 0 HD13 LEU A 789 -0.617 5.655 6.017 1.00 20.14 H new ATOM 0 HD21 LEU A 789 -1.450 5.240 3.082 1.00 14.54 H new ATOM 0 HD22 LEU A 789 -0.712 6.741 3.690 1.00 14.54 H new ATOM 0 HD23 LEU A 789 0.026 5.877 2.320 1.00 14.54 H new ATOM 1279 N ARG A 790 4.808 5.425 3.760 1.00 54.54 N ATOM 1280 CA ARG A 790 6.222 5.682 4.046 1.00 73.21 C ATOM 1281 C ARG A 790 6.789 6.658 3.019 1.00 63.53 C ATOM 1282 O ARG A 790 7.473 7.618 3.369 1.00 32.43 O ATOM 1283 CB ARG A 790 7.042 4.385 4.000 1.00 3.35 C ATOM 1284 CG ARG A 790 6.465 3.242 4.818 1.00 32.14 C ATOM 1285 CD ARG A 790 6.456 3.549 6.301 1.00 3.13 C ATOM 1286 NE ARG A 790 5.742 2.522 7.056 1.00 55.42 N ATOM 1287 CZ ARG A 790 5.722 2.449 8.385 1.00 72.44 C ATOM 1288 NH1 ARG A 790 6.481 3.258 9.112 1.00 52.13 N ATOM 1289 NH2 ARG A 790 4.951 1.552 8.981 1.00 30.35 N ATOM 0 H ARG A 790 4.577 4.439 3.643 1.00 54.54 H new ATOM 0 HA ARG A 790 6.288 6.107 5.048 1.00 73.21 H new ATOM 0 HB2 ARG A 790 7.130 4.063 2.962 1.00 3.35 H new ATOM 0 HB3 ARG A 790 8.051 4.596 4.355 1.00 3.35 H new ATOM 0 HG2 ARG A 790 5.448 3.036 4.485 1.00 32.14 H new ATOM 0 HG3 ARG A 790 7.048 2.339 4.639 1.00 32.14 H new ATOM 0 HD2 ARG A 790 7.481 3.623 6.665 1.00 3.13 H new ATOM 0 HD3 ARG A 790 5.987 4.518 6.470 1.00 3.13 H new ATOM 0 HE ARG A 790 5.226 1.816 6.531 1.00 55.42 H new ATOM 0 HH11 ARG A 790 7.084 3.941 8.653 1.00 52.13 H new ATOM 0 HH12 ARG A 790 6.462 3.198 10.130 1.00 52.13 H new ATOM 0 HH21 ARG A 790 4.376 0.921 8.422 1.00 30.35 H new ATOM 0 HH22 ARG A 790 4.932 1.492 9.999 1.00 30.35 H new ATOM 1303 N VAL A 791 6.479 6.399 1.752 1.00 64.15 N ATOM 1304 CA VAL A 791 6.927 7.243 0.647 1.00 33.10 C ATOM 1305 C VAL A 791 6.433 8.674 0.831 1.00 21.34 C ATOM 1306 O VAL A 791 7.219 9.624 0.806 1.00 42.14 O ATOM 1307 CB VAL A 791 6.413 6.704 -0.709 1.00 4.13 C ATOM 1308 CG1 VAL A 791 6.931 7.543 -1.865 1.00 73.05 C ATOM 1309 CG2 VAL A 791 6.803 5.249 -0.896 1.00 54.51 C ATOM 0 H VAL A 791 5.913 5.602 1.462 1.00 64.15 H new ATOM 0 HA VAL A 791 8.017 7.229 0.646 1.00 33.10 H new ATOM 0 HB VAL A 791 5.325 6.772 -0.700 1.00 4.13 H new ATOM 0 HG11 VAL A 791 6.553 7.140 -2.805 1.00 73.05 H new ATOM 0 HG12 VAL A 791 6.591 8.572 -1.749 1.00 73.05 H new ATOM 0 HG13 VAL A 791 8.021 7.519 -1.872 1.00 73.05 H new ATOM 0 HG21 VAL A 791 6.430 4.893 -1.856 1.00 54.51 H new ATOM 0 HG22 VAL A 791 7.889 5.157 -0.872 1.00 54.51 H new ATOM 0 HG23 VAL A 791 6.370 4.650 -0.094 1.00 54.51 H new ATOM 1319 N LEU A 792 5.131 8.806 1.043 1.00 52.53 N ATOM 1320 CA LEU A 792 4.483 10.107 1.183 1.00 71.04 C ATOM 1321 C LEU A 792 5.044 10.872 2.380 1.00 45.31 C ATOM 1322 O LEU A 792 5.414 12.047 2.272 1.00 0.41 O ATOM 1323 CB LEU A 792 2.977 9.906 1.354 1.00 52.32 C ATOM 1324 CG LEU A 792 2.338 8.961 0.338 1.00 32.33 C ATOM 1325 CD1 LEU A 792 0.885 8.701 0.691 1.00 51.34 C ATOM 1326 CD2 LEU A 792 2.457 9.526 -1.070 1.00 64.41 C ATOM 0 H LEU A 792 4.492 8.015 1.123 1.00 52.53 H new ATOM 0 HA LEU A 792 4.678 10.693 0.285 1.00 71.04 H new ATOM 0 HB2 LEU A 792 2.787 9.522 2.356 1.00 52.32 H new ATOM 0 HB3 LEU A 792 2.485 10.876 1.286 1.00 52.32 H new ATOM 0 HG LEU A 792 2.873 8.012 0.370 1.00 32.33 H new ATOM 0 HD11 LEU A 792 0.447 8.026 -0.044 1.00 51.34 H new ATOM 0 HD12 LEU A 792 0.826 8.247 1.680 1.00 51.34 H new ATOM 0 HD13 LEU A 792 0.336 9.643 0.691 1.00 51.34 H new ATOM 0 HD21 LEU A 792 1.996 8.838 -1.778 1.00 64.41 H new ATOM 0 HD22 LEU A 792 1.951 10.490 -1.119 1.00 64.41 H new ATOM 0 HD23 LEU A 792 3.509 9.655 -1.322 1.00 64.41 H new ATOM 1338 N ILE A 793 5.107 10.193 3.515 1.00 71.23 N ATOM 1339 CA ILE A 793 5.616 10.790 4.740 1.00 74.24 C ATOM 1340 C ILE A 793 7.086 11.163 4.582 1.00 13.24 C ATOM 1341 O ILE A 793 7.499 12.247 4.979 1.00 45.53 O ATOM 1342 CB ILE A 793 5.433 9.838 5.939 1.00 4.22 C ATOM 1343 CG1 ILE A 793 3.942 9.564 6.158 1.00 43.32 C ATOM 1344 CG2 ILE A 793 6.059 10.426 7.199 1.00 20.31 C ATOM 1345 CD1 ILE A 793 3.657 8.457 7.147 1.00 64.53 C ATOM 0 H ILE A 793 4.810 9.222 3.613 1.00 71.23 H new ATOM 0 HA ILE A 793 5.043 11.696 4.935 1.00 74.24 H new ATOM 0 HB ILE A 793 5.940 8.898 5.720 1.00 4.22 H new ATOM 0 HG12 ILE A 793 3.462 10.479 6.505 1.00 43.32 H new ATOM 0 HG13 ILE A 793 3.486 9.308 5.201 1.00 43.32 H new ATOM 0 HG21 ILE A 793 5.917 9.737 8.031 1.00 20.31 H new ATOM 0 HG22 ILE A 793 7.125 10.584 7.036 1.00 20.31 H new ATOM 0 HG23 ILE A 793 5.583 11.378 7.432 1.00 20.31 H new ATOM 0 HD11 ILE A 793 2.579 8.326 7.245 1.00 64.53 H new ATOM 0 HD12 ILE A 793 4.105 7.529 6.793 1.00 64.53 H new ATOM 0 HD13 ILE A 793 4.081 8.718 8.117 1.00 64.53 H new ATOM 1357 N GLY A 794 7.860 10.275 3.970 1.00 51.34 N ATOM 1358 CA GLY A 794 9.270 10.542 3.741 1.00 2.44 C ATOM 1359 C GLY A 794 9.497 11.745 2.842 1.00 43.44 C ATOM 1360 O GLY A 794 10.530 12.410 2.932 1.00 23.10 O ATOM 0 H GLY A 794 7.536 9.371 3.626 1.00 51.34 H new ATOM 0 HA2 GLY A 794 9.765 10.709 4.698 1.00 2.44 H new ATOM 0 HA3 GLY A 794 9.734 9.664 3.292 1.00 2.44 H new ATOM 1364 N GLU A 795 8.531 12.026 1.978 1.00 12.30 N ATOM 1365 CA GLU A 795 8.620 13.167 1.075 1.00 3.33 C ATOM 1366 C GLU A 795 8.306 14.478 1.798 1.00 10.22 C ATOM 1367 O GLU A 795 8.731 15.550 1.366 1.00 51.40 O ATOM 1368 CB GLU A 795 7.675 12.991 -0.117 1.00 75.23 C ATOM 1369 CG GLU A 795 8.136 11.934 -1.112 1.00 4.33 C ATOM 1370 CD GLU A 795 7.215 11.810 -2.309 1.00 13.45 C ATOM 1371 OE1 GLU A 795 6.747 12.851 -2.819 1.00 62.20 O ATOM 1372 OE2 GLU A 795 6.973 10.675 -2.767 1.00 5.53 O ATOM 0 H GLU A 795 7.675 11.479 1.883 1.00 12.30 H new ATOM 0 HA GLU A 795 9.646 13.214 0.711 1.00 3.33 H new ATOM 0 HB2 GLU A 795 6.685 12.723 0.252 1.00 75.23 H new ATOM 0 HB3 GLU A 795 7.575 13.945 -0.634 1.00 75.23 H new ATOM 0 HG2 GLU A 795 9.140 12.180 -1.457 1.00 4.33 H new ATOM 0 HG3 GLU A 795 8.199 10.970 -0.607 1.00 4.33 H new ATOM 1379 N ASN A 796 7.565 14.394 2.896 1.00 3.13 N ATOM 1380 CA ASN A 796 7.171 15.595 3.632 1.00 73.13 C ATOM 1381 C ASN A 796 7.991 15.777 4.909 1.00 63.53 C ATOM 1382 O ASN A 796 8.157 16.898 5.391 1.00 42.02 O ATOM 1383 CB ASN A 796 5.678 15.541 3.960 1.00 75.24 C ATOM 1384 CG ASN A 796 5.178 16.795 4.657 1.00 71.14 C ATOM 1385 OD1 ASN A 796 5.104 16.855 5.884 1.00 35.31 O ATOM 1386 ND2 ASN A 796 4.836 17.806 3.875 1.00 70.25 N ATOM 0 H ASN A 796 7.227 13.519 3.295 1.00 3.13 H new ATOM 0 HA ASN A 796 7.370 16.456 2.994 1.00 73.13 H new ATOM 0 HB2 ASN A 796 5.114 15.395 3.039 1.00 75.24 H new ATOM 0 HB3 ASN A 796 5.482 14.677 4.594 1.00 75.24 H new ATOM 0 HD21 ASN A 796 4.496 18.676 4.285 1.00 70.25 H new ATOM 0 HD22 ASN A 796 4.912 17.716 2.862 1.00 70.25 H new