USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=10 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 HD1:sc= 0 X(o=-0.096,f=-0.1) USER MOD Set 1.2: A 776 SER OG : rot 131:sc= 0.738 USER MOD Set 1.3: A 779 GLN : amide:sc= -0.834! X(o=-0.096!,f=-0.23) USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD Single : A 724 ASN : amide:sc= -0.886 X(o=-0.89,f=-0.49) USER MOD Single : A 725 THR OG1 : rot 180:sc= 0 USER MOD Single : A 726 ASN : amide:sc= -0.759 K(o=-0.76,f=-2) USER MOD Single : A 734 TYR OH : rot -108:sc= 0.169 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.0913 X(o=-0.091,f=-0.044) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN : amide:sc= -0.806 K(o=-0.81,f=-1.4!) USER MOD Single : A 750 SER OG : rot 114:sc= 1.28 USER MOD Single : A 754 HIS : no HD1:sc= -3.43! X(o=-3.4!,f=-3.2) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 165:sc= 0 USER MOD Single : A 761 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.5) USER MOD Single : A 763 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.18) USER MOD Single : A 773 CYS SG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ -161:sc= -0.0867 (180deg=-0.536) 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 : amide:sc= -3.8! C(o=-3.8!,f=-3.3!) USER MOD Single : A 796 ASN : amide:sc= -1.01 X(o=-1,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.198 14.860 7.865 1.00 43.51 N ATOM 148 CA ILE A 716 1.092 13.745 7.572 1.00 61.54 C ATOM 149 C ILE A 716 1.258 12.837 8.791 1.00 14.13 C ATOM 150 O ILE A 716 1.435 11.623 8.660 1.00 71.14 O ATOM 151 CB ILE A 716 2.465 14.263 7.086 1.00 25.14 C ATOM 152 CG1 ILE A 716 2.298 15.006 5.759 1.00 12.03 C ATOM 153 CG2 ILE A 716 3.467 13.128 6.939 1.00 54.21 C ATOM 154 CD1 ILE A 716 1.647 14.177 4.668 1.00 15.51 C ATOM 0 HA ILE A 716 0.643 13.154 6.773 1.00 61.54 H new ATOM 0 HB ILE A 716 2.856 14.951 7.836 1.00 25.14 H new ATOM 0 HG12 ILE A 716 1.699 15.901 5.928 1.00 12.03 H new ATOM 0 HG13 ILE A 716 3.277 15.338 5.414 1.00 12.03 H new ATOM 0 HG21 ILE A 716 4.421 13.527 6.596 1.00 54.21 H new ATOM 0 HG22 ILE A 716 3.604 12.637 7.902 1.00 54.21 H new ATOM 0 HG23 ILE A 716 3.094 12.405 6.213 1.00 54.21 H new ATOM 0 HD11 ILE A 716 1.564 14.773 3.759 1.00 15.51 H new ATOM 0 HD12 ILE A 716 2.256 13.295 4.469 1.00 15.51 H new ATOM 0 HD13 ILE A 716 0.653 13.867 4.991 1.00 15.51 H new ATOM 166 N GLY A 717 1.164 13.426 9.976 1.00 51.13 N ATOM 167 CA GLY A 717 1.210 12.652 11.200 1.00 55.23 C ATOM 168 C GLY A 717 0.082 11.635 11.289 1.00 41.32 C ATOM 169 O GLY A 717 0.238 10.577 11.900 1.00 4.01 O ATOM 0 H GLY A 717 1.056 14.431 10.111 1.00 51.13 H new ATOM 0 HA2 GLY A 717 2.167 12.134 11.263 1.00 55.23 H new ATOM 0 HA3 GLY A 717 1.155 13.326 12.055 1.00 55.23 H new ATOM 173 N GLU A 718 -1.054 11.946 10.671 1.00 52.23 N ATOM 174 CA GLU A 718 -2.191 11.034 10.670 1.00 75.34 C ATOM 175 C GLU A 718 -1.953 9.879 9.704 1.00 61.33 C ATOM 176 O GLU A 718 -2.502 8.795 9.880 1.00 34.12 O ATOM 177 CB GLU A 718 -3.488 11.767 10.316 1.00 1.42 C ATOM 178 CG GLU A 718 -3.929 12.759 11.381 1.00 73.32 C ATOM 179 CD GLU A 718 -5.293 13.352 11.101 1.00 24.22 C ATOM 180 OE1 GLU A 718 -6.311 12.689 11.394 1.00 75.30 O ATOM 181 OE2 GLU A 718 -5.360 14.491 10.601 1.00 53.21 O ATOM 0 H GLU A 718 -1.210 12.819 10.167 1.00 52.23 H new ATOM 0 HA GLU A 718 -2.295 10.630 11.677 1.00 75.34 H new ATOM 0 HB2 GLU A 718 -3.353 12.295 9.372 1.00 1.42 H new ATOM 0 HB3 GLU A 718 -4.280 11.035 10.161 1.00 1.42 H new ATOM 0 HG2 GLU A 718 -3.946 12.261 12.350 1.00 73.32 H new ATOM 0 HG3 GLU A 718 -3.195 13.562 11.449 1.00 73.32 H new ATOM 188 N LEU A 719 -1.121 10.102 8.697 1.00 13.45 N ATOM 189 CA LEU A 719 -0.724 9.030 7.787 1.00 51.42 C ATOM 190 C LEU A 719 0.108 8.001 8.546 1.00 71.14 C ATOM 191 O LEU A 719 0.015 6.801 8.294 1.00 73.54 O ATOM 192 CB LEU A 719 0.066 9.582 6.589 1.00 62.44 C ATOM 193 CG LEU A 719 -0.767 10.223 5.465 1.00 1.35 C ATOM 194 CD1 LEU A 719 -1.774 9.231 4.910 1.00 42.21 C ATOM 195 CD2 LEU A 719 -1.476 11.479 5.949 1.00 24.32 C ATOM 0 H LEU A 719 -0.708 11.011 8.487 1.00 13.45 H new ATOM 0 HA LEU A 719 -1.623 8.553 7.397 1.00 51.42 H new ATOM 0 HB2 LEU A 719 0.773 10.325 6.958 1.00 62.44 H new ATOM 0 HB3 LEU A 719 0.652 8.769 6.161 1.00 62.44 H new ATOM 0 HG LEU A 719 -0.081 10.508 4.668 1.00 1.35 H new ATOM 0 HD11 LEU A 719 -2.352 9.705 4.117 1.00 42.21 H new ATOM 0 HD12 LEU A 719 -1.248 8.365 4.508 1.00 42.21 H new ATOM 0 HD13 LEU A 719 -2.446 8.910 5.706 1.00 42.21 H new ATOM 0 HD21 LEU A 719 -2.056 11.908 5.131 1.00 24.32 H new ATOM 0 HD22 LEU A 719 -2.143 11.226 6.773 1.00 24.32 H new ATOM 0 HD23 LEU A 719 -0.738 12.205 6.290 1.00 24.32 H new ATOM 207 N VAL A 720 0.899 8.485 9.500 1.00 3.52 N ATOM 208 CA VAL A 720 1.674 7.611 10.377 1.00 31.31 C ATOM 209 C VAL A 720 0.737 6.834 11.300 1.00 44.34 C ATOM 210 O VAL A 720 0.995 5.680 11.647 1.00 74.02 O ATOM 211 CB VAL A 720 2.679 8.411 11.238 1.00 73.43 C ATOM 212 CG1 VAL A 720 3.599 7.472 12.003 1.00 11.53 C ATOM 213 CG2 VAL A 720 3.489 9.374 10.384 1.00 32.50 C ATOM 0 H VAL A 720 1.020 9.481 9.686 1.00 3.52 H new ATOM 0 HA VAL A 720 2.233 6.924 9.742 1.00 31.31 H new ATOM 0 HB VAL A 720 2.109 8.998 11.958 1.00 73.43 H new ATOM 0 HG11 VAL A 720 4.298 8.056 12.602 1.00 11.53 H new ATOM 0 HG12 VAL A 720 3.005 6.834 12.657 1.00 11.53 H new ATOM 0 HG13 VAL A 720 4.154 6.853 11.299 1.00 11.53 H new ATOM 0 HG21 VAL A 720 4.187 9.922 11.017 1.00 32.50 H new ATOM 0 HG22 VAL A 720 4.044 8.814 9.631 1.00 32.50 H new ATOM 0 HG23 VAL A 720 2.817 10.077 9.891 1.00 32.50 H new ATOM 223 N ARG A 721 -0.368 7.473 11.671 1.00 71.51 N ATOM 224 CA ARG A 721 -1.371 6.858 12.526 1.00 2.12 C ATOM 225 C ARG A 721 -1.952 5.617 11.844 1.00 11.35 C ATOM 226 O ARG A 721 -2.252 4.613 12.496 1.00 23.34 O ATOM 227 CB ARG A 721 -2.473 7.883 12.841 1.00 64.14 C ATOM 228 CG ARG A 721 -3.867 7.445 12.420 1.00 51.51 C ATOM 229 CD ARG A 721 -4.819 8.619 12.282 1.00 42.30 C ATOM 230 NE ARG A 721 -4.924 9.408 13.506 1.00 41.55 N ATOM 231 CZ ARG A 721 -6.022 10.077 13.859 1.00 5.22 C ATOM 232 NH1 ARG A 721 -7.130 9.968 13.135 1.00 32.03 N ATOM 233 NH2 ARG A 721 -6.015 10.839 14.943 1.00 71.45 N ATOM 0 H ARG A 721 -0.591 8.427 11.388 1.00 71.51 H new ATOM 0 HA ARG A 721 -0.911 6.543 13.463 1.00 2.12 H new ATOM 0 HB2 ARG A 721 -2.474 8.081 13.913 1.00 64.14 H new ATOM 0 HB3 ARG A 721 -2.233 8.823 12.343 1.00 64.14 H new ATOM 0 HG2 ARG A 721 -3.808 6.914 11.470 1.00 51.51 H new ATOM 0 HG3 ARG A 721 -4.263 6.743 13.154 1.00 51.51 H new ATOM 0 HD2 ARG A 721 -4.481 9.261 11.469 1.00 42.30 H new ATOM 0 HD3 ARG A 721 -5.807 8.250 12.007 1.00 42.30 H new ATOM 0 HE ARG A 721 -4.114 9.450 14.124 1.00 41.55 H new ATOM 0 HH11 ARG A 721 -7.142 9.372 12.307 1.00 32.03 H new ATOM 0 HH12 ARG A 721 -7.969 10.480 13.406 1.00 32.03 H new ATOM 0 HH21 ARG A 721 -5.169 10.914 15.508 1.00 71.45 H new ATOM 0 HH22 ARG A 721 -6.855 11.350 15.212 1.00 71.45 H new ATOM 247 N TYR A 722 -2.089 5.688 10.525 1.00 3.21 N ATOM 248 CA TYR A 722 -2.605 4.567 9.758 1.00 10.25 C ATOM 249 C TYR A 722 -1.598 3.434 9.702 1.00 0.23 C ATOM 250 O TYR A 722 -1.977 2.272 9.682 1.00 63.40 O ATOM 251 CB TYR A 722 -2.999 5.006 8.349 1.00 1.33 C ATOM 252 CG TYR A 722 -4.298 5.773 8.314 1.00 71.51 C ATOM 253 CD1 TYR A 722 -5.513 5.109 8.416 1.00 31.13 C ATOM 254 CD2 TYR A 722 -4.313 7.155 8.183 1.00 44.22 C ATOM 255 CE1 TYR A 722 -6.706 5.799 8.388 1.00 11.45 C ATOM 256 CE2 TYR A 722 -5.503 7.854 8.152 1.00 32.33 C ATOM 257 CZ TYR A 722 -6.697 7.172 8.256 1.00 24.20 C ATOM 258 OH TYR A 722 -7.887 7.864 8.239 1.00 41.24 O ATOM 0 H TYR A 722 -1.850 6.509 9.968 1.00 3.21 H new ATOM 0 HA TYR A 722 -3.498 4.201 10.264 1.00 10.25 H new ATOM 0 HB2 TYR A 722 -2.206 5.626 7.932 1.00 1.33 H new ATOM 0 HB3 TYR A 722 -3.085 4.127 7.711 1.00 1.33 H new ATOM 0 HD1 TYR A 722 -5.524 4.034 8.519 1.00 31.13 H new ATOM 0 HD2 TYR A 722 -3.379 7.692 8.104 1.00 44.22 H new ATOM 0 HE1 TYR A 722 -7.643 5.267 8.469 1.00 11.45 H new ATOM 0 HE2 TYR A 722 -5.499 8.929 8.047 1.00 32.33 H new ATOM 0 HH TYR A 722 -7.707 8.822 8.141 1.00 41.24 H new ATOM 268 N LEU A 723 -0.315 3.773 9.704 1.00 31.44 N ATOM 269 CA LEU A 723 0.735 2.760 9.752 1.00 32.14 C ATOM 270 C LEU A 723 0.568 1.897 10.998 1.00 74.43 C ATOM 271 O LEU A 723 0.885 0.705 10.995 1.00 11.13 O ATOM 272 CB LEU A 723 2.118 3.416 9.757 1.00 21.35 C ATOM 273 CG LEU A 723 2.461 4.230 8.509 1.00 50.05 C ATOM 274 CD1 LEU A 723 3.787 4.952 8.692 1.00 51.11 C ATOM 275 CD2 LEU A 723 2.513 3.327 7.286 1.00 32.12 C ATOM 0 H LEU A 723 0.024 4.735 9.673 1.00 31.44 H new ATOM 0 HA LEU A 723 0.651 2.133 8.865 1.00 32.14 H new ATOM 0 HB2 LEU A 723 2.189 4.069 10.627 1.00 21.35 H new ATOM 0 HB3 LEU A 723 2.871 2.637 9.881 1.00 21.35 H new ATOM 0 HG LEU A 723 1.681 4.976 8.357 1.00 50.05 H new ATOM 0 HD11 LEU A 723 4.015 5.526 7.794 1.00 51.11 H new ATOM 0 HD12 LEU A 723 3.720 5.626 9.546 1.00 51.11 H new ATOM 0 HD13 LEU A 723 4.578 4.222 8.867 1.00 51.11 H new ATOM 0 HD21 LEU A 723 2.758 3.921 6.405 1.00 32.12 H new ATOM 0 HD22 LEU A 723 3.275 2.561 7.431 1.00 32.12 H new ATOM 0 HD23 LEU A 723 1.543 2.851 7.144 1.00 32.12 H new ATOM 287 N ASN A 724 0.059 2.512 12.058 1.00 63.44 N ATOM 288 CA ASN A 724 -0.187 1.814 13.315 1.00 73.33 C ATOM 289 C ASN A 724 -1.371 0.858 13.183 1.00 71.35 C ATOM 290 O ASN A 724 -1.281 -0.312 13.550 1.00 63.33 O ATOM 291 CB ASN A 724 -0.476 2.816 14.440 1.00 71.43 C ATOM 292 CG ASN A 724 0.603 3.871 14.596 1.00 42.55 C ATOM 293 OD1 ASN A 724 1.783 3.621 14.345 1.00 21.13 O ATOM 294 ND2 ASN A 724 0.197 5.065 15.007 1.00 45.53 N ATOM 0 H ASN A 724 -0.193 3.500 12.072 1.00 63.44 H new ATOM 0 HA ASN A 724 0.710 1.243 13.557 1.00 73.33 H new ATOM 0 HB2 ASN A 724 -1.429 3.307 14.244 1.00 71.43 H new ATOM 0 HB3 ASN A 724 -0.584 2.275 15.380 1.00 71.43 H new ATOM 0 HD21 ASN A 724 0.872 5.820 15.126 1.00 45.53 H new ATOM 0 HD22 ASN A 724 -0.791 5.228 15.204 1.00 45.53 H new ATOM 301 N THR A 725 -2.482 1.361 12.659 1.00 33.34 N ATOM 302 CA THR A 725 -3.711 0.577 12.587 1.00 61.54 C ATOM 303 C THR A 725 -3.848 -0.155 11.250 1.00 24.23 C ATOM 304 O THR A 725 -3.726 -1.379 11.194 1.00 53.00 O ATOM 305 CB THR A 725 -4.945 1.470 12.827 1.00 32.33 C ATOM 306 OG1 THR A 725 -4.798 2.163 14.074 1.00 73.32 O ATOM 307 CG2 THR A 725 -6.224 0.646 12.850 1.00 21.25 C ATOM 0 H THR A 725 -2.558 2.304 12.279 1.00 33.34 H new ATOM 0 HA THR A 725 -3.655 -0.174 13.375 1.00 61.54 H new ATOM 0 HB THR A 725 -5.015 2.186 12.008 1.00 32.33 H new ATOM 0 HG1 THR A 725 -5.581 2.732 14.226 1.00 73.32 H new ATOM 0 HG21 THR A 725 -7.077 1.303 13.021 1.00 21.25 H new ATOM 0 HG22 THR A 725 -6.345 0.135 11.895 1.00 21.25 H new ATOM 0 HG23 THR A 725 -6.167 -0.091 13.651 1.00 21.25 H new ATOM 315 N ASN A 726 -4.099 0.587 10.180 1.00 43.21 N ATOM 316 CA ASN A 726 -4.288 -0.015 8.867 1.00 14.04 C ATOM 317 C ASN A 726 -3.727 0.882 7.774 1.00 20.25 C ATOM 318 O ASN A 726 -4.320 1.908 7.432 1.00 12.02 O ATOM 319 CB ASN A 726 -5.770 -0.282 8.604 1.00 52.21 C ATOM 320 CG ASN A 726 -6.012 -0.916 7.246 1.00 72.21 C ATOM 321 OD1 ASN A 726 -5.160 -1.628 6.716 1.00 75.33 O ATOM 322 ND2 ASN A 726 -7.175 -0.659 6.673 1.00 63.50 N ATOM 0 H ASN A 726 -4.176 1.604 10.195 1.00 43.21 H new ATOM 0 HA ASN A 726 -3.749 -0.962 8.855 1.00 14.04 H new ATOM 0 HB2 ASN A 726 -6.162 -0.936 9.382 1.00 52.21 H new ATOM 0 HB3 ASN A 726 -6.322 0.656 8.668 1.00 52.21 H new ATOM 0 HD21 ASN A 726 -7.392 -1.056 5.759 1.00 63.50 H new ATOM 0 HD22 ASN A 726 -7.856 -0.064 7.145 1.00 63.50 H new ATOM 329 N PRO A 727 -2.564 0.510 7.221 1.00 42.35 N ATOM 330 CA PRO A 727 -1.915 1.270 6.152 1.00 61.21 C ATOM 331 C PRO A 727 -2.790 1.369 4.907 1.00 3.05 C ATOM 332 O PRO A 727 -2.789 2.391 4.218 1.00 34.32 O ATOM 333 CB PRO A 727 -0.641 0.472 5.852 1.00 0.32 C ATOM 334 CG PRO A 727 -0.873 -0.882 6.431 1.00 20.20 C ATOM 335 CD PRO A 727 -1.785 -0.679 7.605 1.00 50.42 C ATOM 0 HA PRO A 727 -1.718 2.300 6.450 1.00 61.21 H new ATOM 0 HB2 PRO A 727 -0.458 0.414 4.779 1.00 0.32 H new ATOM 0 HB3 PRO A 727 0.233 0.945 6.299 1.00 0.32 H new ATOM 0 HG2 PRO A 727 -1.325 -1.548 5.696 1.00 20.20 H new ATOM 0 HG3 PRO A 727 0.066 -1.340 6.741 1.00 20.20 H new ATOM 0 HD2 PRO A 727 -2.426 -1.545 7.772 1.00 50.42 H new ATOM 0 HD3 PRO A 727 -1.226 -0.514 8.526 1.00 50.42 H new ATOM 343 N VAL A 728 -3.551 0.312 4.639 1.00 4.23 N ATOM 344 CA VAL A 728 -4.418 0.265 3.466 1.00 23.33 C ATOM 345 C VAL A 728 -5.463 1.370 3.535 1.00 4.11 C ATOM 346 O VAL A 728 -5.650 2.121 2.574 1.00 64.41 O ATOM 347 CB VAL A 728 -5.122 -1.103 3.334 1.00 2.32 C ATOM 348 CG1 VAL A 728 -5.963 -1.160 2.067 1.00 4.24 C ATOM 349 CG2 VAL A 728 -4.105 -2.234 3.351 1.00 62.34 C ATOM 0 H VAL A 728 -3.585 -0.526 5.220 1.00 4.23 H new ATOM 0 HA VAL A 728 -3.788 0.412 2.589 1.00 23.33 H new ATOM 0 HB VAL A 728 -5.787 -1.225 4.189 1.00 2.32 H new ATOM 0 HG11 VAL A 728 -6.449 -2.133 1.996 1.00 4.24 H new ATOM 0 HG12 VAL A 728 -6.721 -0.377 2.098 1.00 4.24 H new ATOM 0 HG13 VAL A 728 -5.322 -1.010 1.198 1.00 4.24 H new ATOM 0 HG21 VAL A 728 -4.622 -3.189 3.257 1.00 62.34 H new ATOM 0 HG22 VAL A 728 -3.412 -2.113 2.518 1.00 62.34 H new ATOM 0 HG23 VAL A 728 -3.552 -2.212 4.290 1.00 62.34 H new ATOM 359 N GLY A 729 -6.117 1.485 4.684 1.00 33.41 N ATOM 360 CA GLY A 729 -7.114 2.517 4.875 1.00 11.11 C ATOM 361 C GLY A 729 -6.513 3.903 4.785 1.00 55.40 C ATOM 362 O GLY A 729 -7.170 4.840 4.345 1.00 1.54 O ATOM 0 H GLY A 729 -5.972 0.877 5.490 1.00 33.41 H new ATOM 0 HA2 GLY A 729 -7.896 2.410 4.123 1.00 11.11 H new ATOM 0 HA3 GLY A 729 -7.588 2.389 5.848 1.00 11.11 H new ATOM 366 N GLY A 730 -5.254 4.021 5.189 1.00 12.42 N ATOM 367 CA GLY A 730 -4.566 5.294 5.121 1.00 41.40 C ATOM 368 C GLY A 730 -4.262 5.708 3.701 1.00 24.51 C ATOM 369 O GLY A 730 -4.426 6.871 3.338 1.00 73.24 O ATOM 0 H GLY A 730 -4.696 3.254 5.564 1.00 12.42 H new ATOM 0 HA2 GLY A 730 -5.177 6.060 5.597 1.00 41.40 H new ATOM 0 HA3 GLY A 730 -3.636 5.232 5.686 1.00 41.40 H new ATOM 373 N LEU A 731 -3.825 4.751 2.894 1.00 21.42 N ATOM 374 CA LEU A 731 -3.518 5.010 1.495 1.00 5.44 C ATOM 375 C LEU A 731 -4.801 5.381 0.754 1.00 53.35 C ATOM 376 O LEU A 731 -4.817 6.297 -0.071 1.00 71.14 O ATOM 377 CB LEU A 731 -2.838 3.773 0.879 1.00 3.23 C ATOM 378 CG LEU A 731 -2.173 3.962 -0.493 1.00 20.55 C ATOM 379 CD1 LEU A 731 -3.197 3.909 -1.613 1.00 2.33 C ATOM 380 CD2 LEU A 731 -1.404 5.275 -0.540 1.00 24.24 C ATOM 0 H LEU A 731 -3.675 3.785 3.186 1.00 21.42 H new ATOM 0 HA LEU A 731 -2.826 5.848 1.409 1.00 5.44 H new ATOM 0 HB2 LEU A 731 -2.081 3.418 1.578 1.00 3.23 H new ATOM 0 HB3 LEU A 731 -3.584 2.984 0.789 1.00 3.23 H new ATOM 0 HG LEU A 731 -1.471 3.141 -0.638 1.00 20.55 H new ATOM 0 HD11 LEU A 731 -2.696 4.046 -2.571 1.00 2.33 H new ATOM 0 HD12 LEU A 731 -3.699 2.942 -1.601 1.00 2.33 H new ATOM 0 HD13 LEU A 731 -3.932 4.701 -1.472 1.00 2.33 H new ATOM 0 HD21 LEU A 731 -0.940 5.390 -1.520 1.00 24.24 H new ATOM 0 HD22 LEU A 731 -2.089 6.104 -0.363 1.00 24.24 H new ATOM 0 HD23 LEU A 731 -0.631 5.272 0.229 1.00 24.24 H new ATOM 392 N LEU A 732 -5.878 4.681 1.083 1.00 54.51 N ATOM 393 CA LEU A 732 -7.187 4.970 0.514 1.00 21.30 C ATOM 394 C LEU A 732 -7.686 6.338 0.971 1.00 23.15 C ATOM 395 O LEU A 732 -8.267 7.091 0.190 1.00 2.31 O ATOM 396 CB LEU A 732 -8.185 3.882 0.918 1.00 74.32 C ATOM 397 CG LEU A 732 -7.841 2.476 0.422 1.00 43.14 C ATOM 398 CD1 LEU A 732 -8.749 1.444 1.069 1.00 20.44 C ATOM 399 CD2 LEU A 732 -7.950 2.404 -1.093 1.00 3.05 C ATOM 0 H LEU A 732 -5.870 3.905 1.745 1.00 54.51 H new ATOM 0 HA LEU A 732 -7.096 4.985 -0.572 1.00 21.30 H new ATOM 0 HB2 LEU A 732 -8.256 3.861 2.005 1.00 74.32 H new ATOM 0 HB3 LEU A 732 -9.170 4.154 0.539 1.00 74.32 H new ATOM 0 HG LEU A 732 -6.812 2.255 0.705 1.00 43.14 H new ATOM 0 HD11 LEU A 732 -8.489 0.451 0.704 1.00 20.44 H new ATOM 0 HD12 LEU A 732 -8.624 1.477 2.151 1.00 20.44 H new ATOM 0 HD13 LEU A 732 -9.787 1.663 0.817 1.00 20.44 H new ATOM 0 HD21 LEU A 732 -7.702 1.397 -1.428 1.00 3.05 H new ATOM 0 HD22 LEU A 732 -8.968 2.647 -1.396 1.00 3.05 H new ATOM 0 HD23 LEU A 732 -7.258 3.117 -1.542 1.00 3.05 H new ATOM 411 N GLU A 733 -7.436 6.663 2.235 1.00 63.42 N ATOM 412 CA GLU A 733 -7.833 7.922 2.808 1.00 25.01 C ATOM 413 C GLU A 733 -7.078 9.072 2.150 1.00 3.31 C ATOM 414 O GLU A 733 -7.671 10.078 1.766 1.00 54.12 O ATOM 415 CB GLU A 733 -7.548 7.851 4.301 1.00 1.41 C ATOM 416 CG GLU A 733 -7.513 9.180 4.992 1.00 12.05 C ATOM 417 CD GLU A 733 -8.892 9.738 5.269 1.00 52.32 C ATOM 418 OE1 GLU A 733 -9.466 10.398 4.382 1.00 53.22 O ATOM 419 OE2 GLU A 733 -9.419 9.503 6.374 1.00 41.14 O ATOM 0 H GLU A 733 -6.948 6.048 2.886 1.00 63.42 H new ATOM 0 HA GLU A 733 -8.894 8.107 2.640 1.00 25.01 H new ATOM 0 HB2 GLU A 733 -8.309 7.230 4.774 1.00 1.41 H new ATOM 0 HB3 GLU A 733 -6.591 7.352 4.452 1.00 1.41 H new ATOM 0 HG2 GLU A 733 -6.972 9.080 5.933 1.00 12.05 H new ATOM 0 HG3 GLU A 733 -6.957 9.888 4.378 1.00 12.05 H new ATOM 426 N TYR A 734 -5.770 8.902 2.006 1.00 73.05 N ATOM 427 CA TYR A 734 -4.931 9.887 1.343 1.00 1.00 C ATOM 428 C TYR A 734 -5.460 10.191 -0.058 1.00 55.52 C ATOM 429 O TYR A 734 -5.611 11.355 -0.437 1.00 45.15 O ATOM 430 CB TYR A 734 -3.488 9.373 1.281 1.00 33.04 C ATOM 431 CG TYR A 734 -2.632 10.053 0.237 1.00 2.13 C ATOM 432 CD1 TYR A 734 -1.964 11.238 0.510 1.00 60.42 C ATOM 433 CD2 TYR A 734 -2.494 9.496 -1.027 1.00 2.33 C ATOM 434 CE1 TYR A 734 -1.181 11.850 -0.451 1.00 1.42 C ATOM 435 CE2 TYR A 734 -1.716 10.099 -1.991 1.00 41.25 C ATOM 436 CZ TYR A 734 -1.060 11.277 -1.700 1.00 61.33 C ATOM 437 OH TYR A 734 -0.280 11.885 -2.659 1.00 34.12 O ATOM 0 H TYR A 734 -5.265 8.083 2.344 1.00 73.05 H new ATOM 0 HA TYR A 734 -4.952 10.815 1.915 1.00 1.00 H new ATOM 0 HB2 TYR A 734 -3.024 9.507 2.258 1.00 33.04 H new ATOM 0 HB3 TYR A 734 -3.504 8.302 1.080 1.00 33.04 H new ATOM 0 HD1 TYR A 734 -2.057 11.689 1.487 1.00 60.42 H new ATOM 0 HD2 TYR A 734 -3.006 8.574 -1.259 1.00 2.33 H new ATOM 0 HE1 TYR A 734 -0.667 12.772 -0.225 1.00 1.42 H new ATOM 0 HE2 TYR A 734 -1.620 9.652 -2.969 1.00 41.25 H new ATOM 0 HH TYR A 734 -0.855 12.273 -3.351 1.00 34.12 H new ATOM 447 N ALA A 735 -5.752 9.141 -0.812 1.00 23.01 N ATOM 448 CA ALA A 735 -6.244 9.288 -2.171 1.00 2.13 C ATOM 449 C ALA A 735 -7.621 9.941 -2.192 1.00 1.42 C ATOM 450 O ALA A 735 -7.846 10.901 -2.926 1.00 35.25 O ATOM 451 CB ALA A 735 -6.289 7.934 -2.862 1.00 43.54 C ATOM 0 H ALA A 735 -5.655 8.174 -0.502 1.00 23.01 H new ATOM 0 HA ALA A 735 -5.557 9.939 -2.711 1.00 2.13 H new ATOM 0 HB1 ALA A 735 -6.659 8.057 -3.880 1.00 43.54 H new ATOM 0 HB2 ALA A 735 -5.287 7.506 -2.890 1.00 43.54 H new ATOM 0 HB3 ALA A 735 -6.953 7.267 -2.312 1.00 43.54 H new ATOM 457 N ARG A 736 -8.523 9.438 -1.358 1.00 54.32 N ATOM 458 CA ARG A 736 -9.910 9.902 -1.341 1.00 2.10 C ATOM 459 C ARG A 736 -10.003 11.360 -0.896 1.00 2.54 C ATOM 460 O ARG A 736 -10.869 12.109 -1.347 1.00 5.21 O ATOM 461 CB ARG A 736 -10.750 9.006 -0.421 1.00 13.33 C ATOM 462 CG ARG A 736 -10.609 9.313 1.064 1.00 74.53 C ATOM 463 CD ARG A 736 -11.368 8.313 1.921 1.00 1.21 C ATOM 464 NE ARG A 736 -11.261 8.621 3.345 1.00 63.32 N ATOM 465 CZ ARG A 736 -11.957 8.004 4.300 1.00 64.02 C ATOM 466 NH1 ARG A 736 -12.823 7.045 3.987 1.00 33.45 N ATOM 467 NH2 ARG A 736 -11.780 8.346 5.570 1.00 52.51 N ATOM 0 H ARG A 736 -8.319 8.704 -0.680 1.00 54.32 H new ATOM 0 HA ARG A 736 -10.302 9.840 -2.356 1.00 2.10 H new ATOM 0 HB2 ARG A 736 -11.799 9.103 -0.701 1.00 13.33 H new ATOM 0 HB3 ARG A 736 -10.469 7.967 -0.592 1.00 13.33 H new ATOM 0 HG2 ARG A 736 -9.554 9.301 1.339 1.00 74.53 H new ATOM 0 HG3 ARG A 736 -10.979 10.318 1.264 1.00 74.53 H new ATOM 0 HD2 ARG A 736 -12.418 8.309 1.629 1.00 1.21 H new ATOM 0 HD3 ARG A 736 -10.982 7.311 1.737 1.00 1.21 H new ATOM 0 HE ARG A 736 -10.612 9.356 3.627 1.00 63.32 H new ATOM 0 HH11 ARG A 736 -12.958 6.778 3.012 1.00 33.45 H new ATOM 0 HH12 ARG A 736 -13.353 6.576 4.722 1.00 33.45 H new ATOM 0 HH21 ARG A 736 -11.113 9.079 5.813 1.00 52.51 H new ATOM 0 HH22 ARG A 736 -12.311 7.876 6.303 1.00 52.51 H new ATOM 481 N SER A 737 -9.103 11.751 -0.010 1.00 61.14 N ATOM 482 CA SER A 737 -9.081 13.110 0.514 1.00 13.14 C ATOM 483 C SER A 737 -8.453 14.078 -0.489 1.00 33.02 C ATOM 484 O SER A 737 -8.893 15.223 -0.623 1.00 75.40 O ATOM 485 CB SER A 737 -8.309 13.139 1.837 1.00 60.42 C ATOM 486 OG SER A 737 -8.299 14.436 2.409 1.00 62.11 O ATOM 0 H SER A 737 -8.373 11.144 0.364 1.00 61.14 H new ATOM 0 HA SER A 737 -10.108 13.431 0.688 1.00 13.14 H new ATOM 0 HB2 SER A 737 -8.760 12.436 2.537 1.00 60.42 H new ATOM 0 HB3 SER A 737 -7.284 12.808 1.668 1.00 60.42 H new ATOM 0 HG SER A 737 -7.800 14.418 3.252 1.00 62.11 H new ATOM 492 N HIS A 738 -7.436 13.612 -1.202 1.00 32.32 N ATOM 493 CA HIS A 738 -6.679 14.478 -2.103 1.00 1.05 C ATOM 494 C HIS A 738 -7.285 14.511 -3.499 1.00 73.22 C ATOM 495 O HIS A 738 -7.181 15.513 -4.205 1.00 71.30 O ATOM 496 CB HIS A 738 -5.214 14.034 -2.162 1.00 41.10 C ATOM 497 CG HIS A 738 -4.441 14.379 -0.920 1.00 72.42 C ATOM 498 ND1 HIS A 738 -3.085 14.620 -0.905 1.00 0.13 N ATOM 499 CD2 HIS A 738 -4.858 14.527 0.358 1.00 70.22 C ATOM 500 CE1 HIS A 738 -2.705 14.898 0.331 1.00 34.20 C ATOM 501 NE2 HIS A 738 -3.764 14.851 1.118 1.00 71.42 N ATOM 0 H HIS A 738 -7.116 12.644 -1.176 1.00 32.32 H new ATOM 0 HA HIS A 738 -6.726 15.491 -1.704 1.00 1.05 H new ATOM 0 HB2 HIS A 738 -5.174 12.956 -2.320 1.00 41.10 H new ATOM 0 HB3 HIS A 738 -4.734 14.500 -3.022 1.00 41.10 H new ATOM 0 HD2 HIS A 738 -5.870 14.411 0.715 1.00 70.22 H new ATOM 0 HE1 HIS A 738 -1.697 15.125 0.644 1.00 34.20 H new ATOM 0 HE2 HIS A 738 -3.768 15.026 2.123 1.00 71.42 H new ATOM 510 N GLY A 739 -7.932 13.427 -3.891 1.00 33.21 N ATOM 511 CA GLY A 739 -8.531 13.363 -5.208 1.00 12.05 C ATOM 512 C GLY A 739 -7.791 12.419 -6.129 1.00 73.41 C ATOM 513 O GLY A 739 -7.866 12.544 -7.353 1.00 71.24 O ATOM 0 H GLY A 739 -8.054 12.589 -3.322 1.00 33.21 H new ATOM 0 HA2 GLY A 739 -9.568 13.041 -5.118 1.00 12.05 H new ATOM 0 HA3 GLY A 739 -8.544 14.360 -5.648 1.00 12.05 H new ATOM 517 N PHE A 740 -7.051 11.491 -5.540 1.00 43.20 N ATOM 518 CA PHE A 740 -6.359 10.464 -6.305 1.00 20.33 C ATOM 519 C PHE A 740 -7.178 9.183 -6.335 1.00 63.51 C ATOM 520 O PHE A 740 -8.142 9.034 -5.582 1.00 5.40 O ATOM 521 CB PHE A 740 -4.982 10.160 -5.706 1.00 23.14 C ATOM 522 CG PHE A 740 -3.980 11.266 -5.858 1.00 22.25 C ATOM 523 CD1 PHE A 740 -3.379 11.509 -7.081 1.00 51.32 C ATOM 524 CD2 PHE A 740 -3.629 12.051 -4.775 1.00 51.10 C ATOM 525 CE1 PHE A 740 -2.446 12.518 -7.222 1.00 61.44 C ATOM 526 CE2 PHE A 740 -2.696 13.058 -4.910 1.00 64.44 C ATOM 527 CZ PHE A 740 -2.104 13.293 -6.135 1.00 3.21 C ATOM 0 H PHE A 740 -6.914 11.428 -4.531 1.00 43.20 H new ATOM 0 HA PHE A 740 -6.229 10.843 -7.319 1.00 20.33 H new ATOM 0 HB2 PHE A 740 -5.102 9.939 -4.645 1.00 23.14 H new ATOM 0 HB3 PHE A 740 -4.586 9.260 -6.177 1.00 23.14 H new ATOM 0 HD1 PHE A 740 -3.643 10.903 -7.935 1.00 51.32 H new ATOM 0 HD2 PHE A 740 -4.090 11.874 -3.814 1.00 51.10 H new ATOM 0 HE1 PHE A 740 -1.986 12.699 -8.182 1.00 61.44 H new ATOM 0 HE2 PHE A 740 -2.428 13.663 -4.057 1.00 64.44 H new ATOM 0 HZ PHE A 740 -1.375 14.082 -6.241 1.00 3.21 H new ATOM 537 N ALA A 741 -6.788 8.267 -7.202 1.00 72.01 N ATOM 538 CA ALA A 741 -7.423 6.965 -7.276 1.00 34.54 C ATOM 539 C ALA A 741 -6.465 5.905 -6.762 1.00 44.22 C ATOM 540 O ALA A 741 -5.415 5.677 -7.360 1.00 10.04 O ATOM 541 CB ALA A 741 -7.847 6.657 -8.704 1.00 54.53 C ATOM 0 H ALA A 741 -6.029 8.403 -7.869 1.00 72.01 H new ATOM 0 HA ALA A 741 -8.318 6.968 -6.654 1.00 34.54 H new ATOM 0 HB1 ALA A 741 -8.321 5.676 -8.739 1.00 54.53 H new ATOM 0 HB2 ALA A 741 -8.553 7.414 -9.045 1.00 54.53 H new ATOM 0 HB3 ALA A 741 -6.971 6.660 -9.352 1.00 54.53 H new ATOM 547 N ALA A 742 -6.814 5.285 -5.647 1.00 61.42 N ATOM 548 CA ALA A 742 -5.963 4.283 -5.032 1.00 24.21 C ATOM 549 C ALA A 742 -6.353 2.892 -5.506 1.00 61.10 C ATOM 550 O ALA A 742 -7.420 2.381 -5.162 1.00 44.03 O ATOM 551 CB ALA A 742 -6.050 4.372 -3.518 1.00 15.32 C ATOM 0 H ALA A 742 -7.686 5.460 -5.148 1.00 61.42 H new ATOM 0 HA ALA A 742 -4.932 4.473 -5.331 1.00 24.21 H new ATOM 0 HB1 ALA A 742 -5.406 3.614 -3.071 1.00 15.32 H new ATOM 0 HB2 ALA A 742 -5.726 5.361 -3.192 1.00 15.32 H new ATOM 0 HB3 ALA A 742 -7.080 4.205 -3.202 1.00 15.32 H new ATOM 557 N GLU A 743 -5.488 2.289 -6.302 1.00 71.04 N ATOM 558 CA GLU A 743 -5.759 0.981 -6.875 1.00 54.13 C ATOM 559 C GLU A 743 -4.701 -0.031 -6.465 1.00 40.21 C ATOM 560 O GLU A 743 -3.522 0.115 -6.789 1.00 42.41 O ATOM 561 CB GLU A 743 -5.834 1.067 -8.400 1.00 55.33 C ATOM 562 CG GLU A 743 -7.044 1.831 -8.905 1.00 75.31 C ATOM 563 CD GLU A 743 -7.073 1.952 -10.416 1.00 3.53 C ATOM 564 OE1 GLU A 743 -7.361 0.942 -11.097 1.00 12.25 O ATOM 565 OE2 GLU A 743 -6.809 3.057 -10.936 1.00 42.43 O ATOM 0 H GLU A 743 -4.587 2.686 -6.568 1.00 71.04 H new ATOM 0 HA GLU A 743 -6.722 0.645 -6.490 1.00 54.13 H new ATOM 0 HB2 GLU A 743 -4.929 1.547 -8.774 1.00 55.33 H new ATOM 0 HB3 GLU A 743 -5.853 0.058 -8.812 1.00 55.33 H new ATOM 0 HG2 GLU A 743 -7.951 1.330 -8.568 1.00 75.31 H new ATOM 0 HG3 GLU A 743 -7.048 2.828 -8.465 1.00 75.31 H new ATOM 572 N PHE A 744 -5.130 -1.050 -5.744 1.00 35.35 N ATOM 573 CA PHE A 744 -4.249 -2.144 -5.366 1.00 53.52 C ATOM 574 C PHE A 744 -4.485 -3.321 -6.294 1.00 54.22 C ATOM 575 O PHE A 744 -5.463 -4.055 -6.134 1.00 70.13 O ATOM 576 CB PHE A 744 -4.506 -2.588 -3.925 1.00 34.31 C ATOM 577 CG PHE A 744 -4.171 -1.566 -2.878 1.00 42.21 C ATOM 578 CD1 PHE A 744 -5.114 -0.634 -2.469 1.00 63.31 C ATOM 579 CD2 PHE A 744 -2.920 -1.552 -2.287 1.00 74.45 C ATOM 580 CE1 PHE A 744 -4.809 0.293 -1.492 1.00 13.44 C ATOM 581 CE2 PHE A 744 -2.611 -0.630 -1.306 1.00 65.54 C ATOM 582 CZ PHE A 744 -3.557 0.295 -0.909 1.00 72.41 C ATOM 0 H PHE A 744 -6.088 -1.145 -5.406 1.00 35.35 H new ATOM 0 HA PHE A 744 -3.219 -1.796 -5.444 1.00 53.52 H new ATOM 0 HB2 PHE A 744 -5.558 -2.857 -3.826 1.00 34.31 H new ATOM 0 HB3 PHE A 744 -3.926 -3.490 -3.730 1.00 34.31 H new ATOM 0 HD1 PHE A 744 -6.096 -0.634 -2.919 1.00 63.31 H new ATOM 0 HD2 PHE A 744 -2.176 -2.271 -2.597 1.00 74.45 H new ATOM 0 HE1 PHE A 744 -5.549 1.016 -1.184 1.00 13.44 H new ATOM 0 HE2 PHE A 744 -1.632 -0.632 -0.850 1.00 65.54 H new ATOM 0 HZ PHE A 744 -3.318 1.019 -0.144 1.00 72.41 H new ATOM 592 N LYS A 745 -3.616 -3.500 -7.272 1.00 43.54 N ATOM 593 CA LYS A 745 -3.807 -4.572 -8.233 1.00 3.21 C ATOM 594 C LYS A 745 -2.626 -5.530 -8.227 1.00 33.14 C ATOM 595 O LYS A 745 -1.504 -5.152 -7.885 1.00 3.30 O ATOM 596 CB LYS A 745 -4.047 -4.019 -9.640 1.00 41.05 C ATOM 597 CG LYS A 745 -2.874 -3.257 -10.234 1.00 62.53 C ATOM 598 CD LYS A 745 -3.183 -2.827 -11.660 1.00 1.24 C ATOM 599 CE LYS A 745 -4.363 -1.868 -11.710 1.00 42.55 C ATOM 600 NZ LYS A 745 -4.890 -1.708 -13.091 1.00 32.34 N ATOM 0 H LYS A 745 -2.785 -2.928 -7.421 1.00 43.54 H new ATOM 0 HA LYS A 745 -4.696 -5.127 -7.933 1.00 3.21 H new ATOM 0 HB2 LYS A 745 -4.297 -4.847 -10.303 1.00 41.05 H new ATOM 0 HB3 LYS A 745 -4.914 -3.359 -9.613 1.00 41.05 H new ATOM 0 HG2 LYS A 745 -2.656 -2.381 -9.623 1.00 62.53 H new ATOM 0 HG3 LYS A 745 -1.982 -3.884 -10.222 1.00 62.53 H new ATOM 0 HD2 LYS A 745 -2.305 -2.349 -12.095 1.00 1.24 H new ATOM 0 HD3 LYS A 745 -3.401 -3.706 -12.267 1.00 1.24 H new ATOM 0 HE2 LYS A 745 -5.157 -2.235 -11.059 1.00 42.55 H new ATOM 0 HE3 LYS A 745 -4.057 -0.896 -11.323 1.00 42.55 H new ATOM 0 HZ1 LYS A 745 -5.693 -1.047 -13.082 1.00 32.34 H new ATOM 0 HZ2 LYS A 745 -4.141 -1.334 -13.707 1.00 32.34 H new ATOM 0 HZ3 LYS A 745 -5.206 -2.631 -13.451 1.00 32.34 H new ATOM 614 N LEU A 746 -2.899 -6.770 -8.596 1.00 42.44 N ATOM 615 CA LEU A 746 -1.883 -7.805 -8.621 1.00 75.41 C ATOM 616 C LEU A 746 -1.046 -7.686 -9.888 1.00 1.43 C ATOM 617 O LEU A 746 -1.582 -7.610 -10.994 1.00 73.24 O ATOM 618 CB LEU A 746 -2.543 -9.185 -8.550 1.00 1.22 C ATOM 619 CG LEU A 746 -1.582 -10.374 -8.486 1.00 15.44 C ATOM 620 CD1 LEU A 746 -0.764 -10.336 -7.203 1.00 3.55 C ATOM 621 CD2 LEU A 746 -2.351 -11.680 -8.593 1.00 10.15 C ATOM 0 H LEU A 746 -3.825 -7.085 -8.885 1.00 42.44 H new ATOM 0 HA LEU A 746 -1.229 -7.682 -7.758 1.00 75.41 H new ATOM 0 HB2 LEU A 746 -3.189 -9.215 -7.672 1.00 1.22 H new ATOM 0 HB3 LEU A 746 -3.185 -9.306 -9.422 1.00 1.22 H new ATOM 0 HG LEU A 746 -0.894 -10.308 -9.329 1.00 15.44 H new ATOM 0 HD11 LEU A 746 -0.087 -11.190 -7.178 1.00 3.55 H new ATOM 0 HD12 LEU A 746 -0.185 -9.413 -7.168 1.00 3.55 H new ATOM 0 HD13 LEU A 746 -1.433 -10.378 -6.344 1.00 3.55 H new ATOM 0 HD21 LEU A 746 -1.655 -12.517 -8.546 1.00 10.15 H new ATOM 0 HD22 LEU A 746 -3.062 -11.752 -7.770 1.00 10.15 H new ATOM 0 HD23 LEU A 746 -2.889 -11.709 -9.540 1.00 10.15 H new ATOM 633 N VAL A 747 0.264 -7.648 -9.722 1.00 43.01 N ATOM 634 CA VAL A 747 1.169 -7.571 -10.853 1.00 10.42 C ATOM 635 C VAL A 747 1.550 -8.974 -11.308 1.00 31.23 C ATOM 636 O VAL A 747 1.494 -9.295 -12.496 1.00 14.21 O ATOM 637 CB VAL A 747 2.444 -6.778 -10.503 1.00 23.30 C ATOM 638 CG1 VAL A 747 3.360 -6.665 -11.710 1.00 61.23 C ATOM 639 CG2 VAL A 747 2.086 -5.399 -9.971 1.00 53.11 C ATOM 0 H VAL A 747 0.725 -7.669 -8.812 1.00 43.01 H new ATOM 0 HA VAL A 747 0.653 -7.048 -11.658 1.00 10.42 H new ATOM 0 HB VAL A 747 2.978 -7.320 -9.723 1.00 23.30 H new ATOM 0 HG11 VAL A 747 4.252 -6.101 -11.438 1.00 61.23 H new ATOM 0 HG12 VAL A 747 3.648 -7.662 -12.043 1.00 61.23 H new ATOM 0 HG13 VAL A 747 2.838 -6.150 -12.516 1.00 61.23 H new ATOM 0 HG21 VAL A 747 2.999 -4.854 -9.729 1.00 53.11 H new ATOM 0 HG22 VAL A 747 1.526 -4.851 -10.729 1.00 53.11 H new ATOM 0 HG23 VAL A 747 1.477 -5.502 -9.073 1.00 53.11 H new ATOM 649 N ASP A 748 1.920 -9.810 -10.349 1.00 42.51 N ATOM 650 CA ASP A 748 2.315 -11.181 -10.646 1.00 5.43 C ATOM 651 C ASP A 748 2.089 -12.072 -9.431 1.00 52.40 C ATOM 652 O ASP A 748 2.169 -11.611 -8.292 1.00 4.33 O ATOM 653 CB ASP A 748 3.784 -11.231 -11.074 1.00 45.14 C ATOM 654 CG ASP A 748 4.236 -12.625 -11.451 1.00 4.42 C ATOM 655 OD1 ASP A 748 4.021 -13.037 -12.611 1.00 75.10 O ATOM 656 OD2 ASP A 748 4.814 -13.318 -10.596 1.00 22.22 O ATOM 0 H ASP A 748 1.955 -9.564 -9.360 1.00 42.51 H new ATOM 0 HA ASP A 748 1.700 -11.549 -11.467 1.00 5.43 H new ATOM 0 HB2 ASP A 748 3.934 -10.563 -11.922 1.00 45.14 H new ATOM 0 HB3 ASP A 748 4.408 -10.859 -10.261 1.00 45.14 H new ATOM 661 N GLN A 749 1.793 -13.335 -9.682 1.00 55.10 N ATOM 662 CA GLN A 749 1.565 -14.299 -8.617 1.00 12.22 C ATOM 663 C GLN A 749 2.489 -15.493 -8.806 1.00 72.21 C ATOM 664 O GLN A 749 2.286 -16.303 -9.712 1.00 23.24 O ATOM 665 CB GLN A 749 0.106 -14.756 -8.623 1.00 70.52 C ATOM 666 CG GLN A 749 -0.281 -15.620 -7.435 1.00 11.34 C ATOM 667 CD GLN A 749 -1.688 -16.172 -7.558 1.00 73.10 C ATOM 668 OE1 GLN A 749 -2.660 -15.532 -7.154 1.00 40.32 O ATOM 669 NE2 GLN A 749 -1.809 -17.367 -8.110 1.00 62.11 N ATOM 0 H GLN A 749 1.704 -13.721 -10.622 1.00 55.10 H new ATOM 0 HA GLN A 749 1.777 -13.829 -7.657 1.00 12.22 H new ATOM 0 HB2 GLN A 749 -0.538 -13.877 -8.644 1.00 70.52 H new ATOM 0 HB3 GLN A 749 -0.085 -15.313 -9.540 1.00 70.52 H new ATOM 0 HG2 GLN A 749 0.424 -16.446 -7.345 1.00 11.34 H new ATOM 0 HG3 GLN A 749 -0.202 -15.032 -6.520 1.00 11.34 H new ATOM 0 HE21 GLN A 749 -0.980 -17.866 -8.433 1.00 62.11 H new ATOM 0 HE22 GLN A 749 -2.731 -17.790 -8.213 1.00 62.11 H new ATOM 678 N SER A 750 3.510 -15.594 -7.972 1.00 15.11 N ATOM 679 CA SER A 750 4.478 -16.673 -8.083 1.00 11.20 C ATOM 680 C SER A 750 4.898 -17.150 -6.699 1.00 51.31 C ATOM 681 O SER A 750 4.445 -16.617 -5.688 1.00 53.10 O ATOM 682 CB SER A 750 5.701 -16.204 -8.878 1.00 41.52 C ATOM 683 OG SER A 750 5.339 -15.807 -10.192 1.00 25.01 O ATOM 0 H SER A 750 3.691 -14.941 -7.209 1.00 15.11 H new ATOM 0 HA SER A 750 4.015 -17.506 -8.612 1.00 11.20 H new ATOM 0 HB2 SER A 750 6.176 -15.370 -8.361 1.00 41.52 H new ATOM 0 HB3 SER A 750 6.436 -17.008 -8.928 1.00 41.52 H new ATOM 0 HG SER A 750 5.490 -14.844 -10.296 1.00 25.01 H new ATOM 689 N GLY A 751 5.751 -18.158 -6.654 1.00 3.32 N ATOM 690 CA GLY A 751 6.250 -18.634 -5.387 1.00 65.44 C ATOM 691 C GLY A 751 5.860 -20.070 -5.104 1.00 3.35 C ATOM 692 O GLY A 751 5.082 -20.670 -5.855 1.00 45.32 O ATOM 0 H GLY A 751 6.106 -18.654 -7.472 1.00 3.32 H new ATOM 0 HA2 GLY A 751 7.337 -18.548 -5.374 1.00 65.44 H new ATOM 0 HA3 GLY A 751 5.871 -17.995 -4.589 1.00 65.44 H new ATOM 696 N PRO A 752 6.404 -20.646 -4.025 1.00 12.41 N ATOM 697 CA PRO A 752 6.106 -22.020 -3.604 1.00 71.11 C ATOM 698 C PRO A 752 4.647 -22.207 -3.185 1.00 32.34 C ATOM 699 O PRO A 752 3.922 -21.235 -2.971 1.00 53.11 O ATOM 700 CB PRO A 752 7.032 -22.226 -2.400 1.00 15.01 C ATOM 701 CG PRO A 752 7.346 -20.857 -1.911 1.00 4.20 C ATOM 702 CD PRO A 752 7.374 -19.992 -3.130 1.00 1.10 C ATOM 0 HA PRO A 752 6.260 -22.733 -4.414 1.00 71.11 H new ATOM 0 HB2 PRO A 752 6.545 -22.819 -1.626 1.00 15.01 H new ATOM 0 HB3 PRO A 752 7.938 -22.759 -2.687 1.00 15.01 H new ATOM 0 HG2 PRO A 752 6.593 -20.512 -1.202 1.00 4.20 H new ATOM 0 HG3 PRO A 752 8.305 -20.836 -1.393 1.00 4.20 H new ATOM 0 HD2 PRO A 752 7.085 -18.966 -2.903 1.00 1.10 H new ATOM 0 HD3 PRO A 752 8.369 -19.952 -3.574 1.00 1.10 H new ATOM 710 N PRO A 753 4.194 -23.465 -3.051 1.00 54.33 N ATOM 711 CA PRO A 753 2.822 -23.770 -2.635 1.00 1.41 C ATOM 712 C PRO A 753 2.531 -23.322 -1.205 1.00 64.23 C ATOM 713 O PRO A 753 1.402 -22.951 -0.876 1.00 12.41 O ATOM 714 CB PRO A 753 2.735 -25.293 -2.745 1.00 33.04 C ATOM 715 CG PRO A 753 4.145 -25.768 -2.678 1.00 13.35 C ATOM 716 CD PRO A 753 4.975 -24.689 -3.312 1.00 31.44 C ATOM 0 HA PRO A 753 2.092 -23.246 -3.251 1.00 1.41 H new ATOM 0 HB2 PRO A 753 2.139 -25.713 -1.935 1.00 33.04 H new ATOM 0 HB3 PRO A 753 2.261 -25.594 -3.679 1.00 33.04 H new ATOM 0 HG2 PRO A 753 4.450 -25.940 -1.646 1.00 13.35 H new ATOM 0 HG3 PRO A 753 4.264 -26.714 -3.207 1.00 13.35 H new ATOM 0 HD2 PRO A 753 5.970 -24.634 -2.870 1.00 31.44 H new ATOM 0 HD3 PRO A 753 5.110 -24.860 -4.380 1.00 31.44 H new ATOM 724 N HIS A 754 3.551 -23.354 -0.354 1.00 41.44 N ATOM 725 CA HIS A 754 3.392 -22.948 1.036 1.00 42.21 C ATOM 726 C HIS A 754 3.499 -21.433 1.177 1.00 22.31 C ATOM 727 O HIS A 754 2.971 -20.851 2.127 1.00 4.03 O ATOM 728 CB HIS A 754 4.420 -23.654 1.934 1.00 43.20 C ATOM 729 CG HIS A 754 5.856 -23.368 1.595 1.00 20.13 C ATOM 730 ND1 HIS A 754 6.501 -24.044 0.589 1.00 41.33 N ATOM 731 CD2 HIS A 754 6.723 -22.501 2.171 1.00 63.14 C ATOM 732 CE1 HIS A 754 7.739 -23.581 0.580 1.00 61.50 C ATOM 733 NE2 HIS A 754 7.920 -22.644 1.519 1.00 21.45 N ATOM 0 H HIS A 754 4.493 -23.656 -0.602 1.00 41.44 H new ATOM 0 HA HIS A 754 2.396 -23.248 1.362 1.00 42.21 H new ATOM 0 HB2 HIS A 754 4.240 -23.360 2.968 1.00 43.20 H new ATOM 0 HB3 HIS A 754 4.255 -24.730 1.875 1.00 43.20 H new ATOM 0 HD2 HIS A 754 6.511 -21.826 2.987 1.00 63.14 H new ATOM 0 HE1 HIS A 754 8.508 -23.917 -0.100 1.00 61.50 H new ATOM 0 HE2 HIS A 754 8.782 -22.135 1.712 1.00 21.45 H new ATOM 741 N GLU A 755 4.163 -20.796 0.221 1.00 13.33 N ATOM 742 CA GLU A 755 4.320 -19.347 0.241 1.00 35.45 C ATOM 743 C GLU A 755 3.987 -18.730 -1.113 1.00 42.30 C ATOM 744 O GLU A 755 4.884 -18.409 -1.890 1.00 22.32 O ATOM 745 CB GLU A 755 5.746 -18.953 0.635 1.00 63.32 C ATOM 746 CG GLU A 755 6.073 -19.175 2.099 1.00 72.41 C ATOM 747 CD GLU A 755 7.434 -18.627 2.469 1.00 44.22 C ATOM 748 OE1 GLU A 755 8.453 -19.217 2.054 1.00 61.43 O ATOM 749 OE2 GLU A 755 7.495 -17.598 3.174 1.00 30.42 O ATOM 0 H GLU A 755 4.601 -21.258 -0.576 1.00 13.33 H new ATOM 0 HA GLU A 755 3.621 -18.964 0.985 1.00 35.45 H new ATOM 0 HB2 GLU A 755 6.449 -19.523 0.027 1.00 63.32 H new ATOM 0 HB3 GLU A 755 5.899 -17.900 0.396 1.00 63.32 H new ATOM 0 HG2 GLU A 755 5.311 -18.699 2.716 1.00 72.41 H new ATOM 0 HG3 GLU A 755 6.040 -20.242 2.319 1.00 72.41 H new ATOM 756 N PRO A 756 2.694 -18.585 -1.431 1.00 1.02 N ATOM 757 CA PRO A 756 2.268 -17.853 -2.623 1.00 44.30 C ATOM 758 C PRO A 756 2.571 -16.366 -2.480 1.00 22.43 C ATOM 759 O PRO A 756 1.911 -15.659 -1.722 1.00 51.45 O ATOM 760 CB PRO A 756 0.759 -18.100 -2.689 1.00 4.32 C ATOM 761 CG PRO A 756 0.363 -18.443 -1.293 1.00 53.02 C ATOM 762 CD PRO A 756 1.551 -19.124 -0.672 1.00 53.41 C ATOM 0 HA PRO A 756 2.785 -18.180 -3.525 1.00 44.30 H new ATOM 0 HB2 PRO A 756 0.229 -17.216 -3.044 1.00 4.32 H new ATOM 0 HB3 PRO A 756 0.522 -18.911 -3.377 1.00 4.32 H new ATOM 0 HG2 PRO A 756 0.093 -17.547 -0.734 1.00 53.02 H new ATOM 0 HG3 PRO A 756 -0.508 -19.098 -1.286 1.00 53.02 H new ATOM 0 HD2 PRO A 756 1.633 -18.898 0.391 1.00 53.41 H new ATOM 0 HD3 PRO A 756 1.485 -20.208 -0.763 1.00 53.41 H new ATOM 770 N LYS A 757 3.588 -15.898 -3.184 1.00 5.34 N ATOM 771 CA LYS A 757 4.021 -14.522 -3.048 1.00 25.04 C ATOM 772 C LYS A 757 3.342 -13.634 -4.077 1.00 53.24 C ATOM 773 O LYS A 757 3.619 -13.703 -5.278 1.00 34.43 O ATOM 774 CB LYS A 757 5.544 -14.413 -3.140 1.00 71.25 C ATOM 775 CG LYS A 757 6.252 -15.095 -1.978 1.00 11.44 C ATOM 776 CD LYS A 757 7.737 -14.772 -1.939 1.00 64.24 C ATOM 777 CE LYS A 757 8.478 -15.334 -3.142 1.00 63.22 C ATOM 778 NZ LYS A 757 9.937 -15.064 -3.060 1.00 72.14 N ATOM 0 H LYS A 757 4.126 -16.450 -3.852 1.00 5.34 H new ATOM 0 HA LYS A 757 3.724 -14.172 -2.059 1.00 25.04 H new ATOM 0 HB2 LYS A 757 5.880 -14.858 -4.077 1.00 71.25 H new ATOM 0 HB3 LYS A 757 5.828 -13.361 -3.167 1.00 71.25 H new ATOM 0 HG2 LYS A 757 5.790 -14.784 -1.041 1.00 11.44 H new ATOM 0 HG3 LYS A 757 6.119 -16.174 -2.057 1.00 11.44 H new ATOM 0 HD2 LYS A 757 7.871 -13.691 -1.904 1.00 64.24 H new ATOM 0 HD3 LYS A 757 8.171 -15.177 -1.025 1.00 64.24 H new ATOM 0 HE2 LYS A 757 8.309 -16.409 -3.205 1.00 63.22 H new ATOM 0 HE3 LYS A 757 8.077 -14.895 -4.055 1.00 63.22 H new ATOM 0 HZ1 LYS A 757 10.411 -15.461 -3.896 1.00 72.14 H new ATOM 0 HZ2 LYS A 757 10.099 -14.037 -3.025 1.00 72.14 H new ATOM 0 HZ3 LYS A 757 10.324 -15.505 -2.201 1.00 72.14 H new ATOM 792 N PHE A 758 2.435 -12.812 -3.584 1.00 21.32 N ATOM 793 CA PHE A 758 1.662 -11.916 -4.420 1.00 55.41 C ATOM 794 C PHE A 758 2.401 -10.604 -4.618 1.00 11.41 C ATOM 795 O PHE A 758 2.663 -9.877 -3.657 1.00 72.35 O ATOM 796 CB PHE A 758 0.295 -11.652 -3.784 1.00 43.43 C ATOM 797 CG PHE A 758 -0.527 -12.894 -3.602 1.00 54.42 C ATOM 798 CD1 PHE A 758 -0.413 -13.656 -2.451 1.00 70.12 C ATOM 799 CD2 PHE A 758 -1.409 -13.300 -4.585 1.00 71.14 C ATOM 800 CE1 PHE A 758 -1.164 -14.804 -2.287 1.00 70.21 C ATOM 801 CE2 PHE A 758 -2.161 -14.448 -4.427 1.00 23.15 C ATOM 802 CZ PHE A 758 -2.039 -15.199 -3.279 1.00 23.31 C ATOM 0 H PHE A 758 2.214 -12.747 -2.590 1.00 21.32 H new ATOM 0 HA PHE A 758 1.519 -12.387 -5.392 1.00 55.41 H new ATOM 0 HB2 PHE A 758 0.440 -11.175 -2.814 1.00 43.43 H new ATOM 0 HB3 PHE A 758 -0.257 -10.948 -4.406 1.00 43.43 H new ATOM 0 HD1 PHE A 758 0.271 -13.349 -1.673 1.00 70.12 H new ATOM 0 HD2 PHE A 758 -1.512 -12.714 -5.486 1.00 71.14 H new ATOM 0 HE1 PHE A 758 -1.067 -15.391 -1.385 1.00 70.21 H new ATOM 0 HE2 PHE A 758 -2.845 -14.757 -5.204 1.00 23.15 H new ATOM 0 HZ PHE A 758 -2.627 -16.096 -3.155 1.00 23.31 H new ATOM 812 N VAL A 759 2.755 -10.321 -5.859 1.00 34.22 N ATOM 813 CA VAL A 759 3.403 -9.067 -6.196 1.00 2.32 C ATOM 814 C VAL A 759 2.348 -7.991 -6.404 1.00 44.34 C ATOM 815 O VAL A 759 1.693 -7.946 -7.447 1.00 52.14 O ATOM 816 CB VAL A 759 4.268 -9.189 -7.469 1.00 60.12 C ATOM 817 CG1 VAL A 759 5.089 -7.926 -7.684 1.00 61.33 C ATOM 818 CG2 VAL A 759 5.166 -10.416 -7.400 1.00 21.43 C ATOM 0 H VAL A 759 2.604 -10.945 -6.652 1.00 34.22 H new ATOM 0 HA VAL A 759 4.061 -8.800 -5.369 1.00 2.32 H new ATOM 0 HB VAL A 759 3.601 -9.310 -8.323 1.00 60.12 H new ATOM 0 HG11 VAL A 759 5.691 -8.033 -8.586 1.00 61.33 H new ATOM 0 HG12 VAL A 759 4.421 -7.072 -7.793 1.00 61.33 H new ATOM 0 HG13 VAL A 759 5.744 -7.767 -6.827 1.00 61.33 H new ATOM 0 HG21 VAL A 759 5.765 -10.480 -8.308 1.00 21.43 H new ATOM 0 HG22 VAL A 759 5.825 -10.337 -6.535 1.00 21.43 H new ATOM 0 HG23 VAL A 759 4.552 -11.312 -7.307 1.00 21.43 H new ATOM 828 N TYR A 760 2.171 -7.150 -5.400 1.00 70.31 N ATOM 829 CA TYR A 760 1.173 -6.095 -5.448 1.00 33.43 C ATOM 830 C TYR A 760 1.822 -4.737 -5.642 1.00 60.43 C ATOM 831 O TYR A 760 2.923 -4.480 -5.146 1.00 60.43 O ATOM 832 CB TYR A 760 0.329 -6.092 -4.172 1.00 51.01 C ATOM 833 CG TYR A 760 -0.993 -6.804 -4.321 1.00 31.35 C ATOM 834 CD1 TYR A 760 -2.116 -6.121 -4.767 1.00 64.33 C ATOM 835 CD2 TYR A 760 -1.121 -8.155 -4.030 1.00 52.53 C ATOM 836 CE1 TYR A 760 -3.329 -6.758 -4.916 1.00 2.43 C ATOM 837 CE2 TYR A 760 -2.333 -8.804 -4.178 1.00 24.01 C ATOM 838 CZ TYR A 760 -3.433 -8.099 -4.622 1.00 23.45 C ATOM 839 OH TYR A 760 -4.642 -8.737 -4.778 1.00 21.12 O ATOM 0 H TYR A 760 2.710 -7.178 -4.535 1.00 70.31 H new ATOM 0 HA TYR A 760 0.524 -6.292 -6.301 1.00 33.43 H new ATOM 0 HB2 TYR A 760 0.897 -6.562 -3.369 1.00 51.01 H new ATOM 0 HB3 TYR A 760 0.145 -5.061 -3.870 1.00 51.01 H new ATOM 0 HD1 TYR A 760 -2.038 -5.070 -5.002 1.00 64.33 H new ATOM 0 HD2 TYR A 760 -0.261 -8.708 -3.683 1.00 52.53 H new ATOM 0 HE1 TYR A 760 -4.192 -6.209 -5.261 1.00 2.43 H new ATOM 0 HE2 TYR A 760 -2.418 -9.856 -3.948 1.00 24.01 H new ATOM 0 HH TYR A 760 -4.504 -9.707 -4.765 1.00 21.12 H new ATOM 849 N GLN A 761 1.139 -3.870 -6.369 1.00 73.21 N ATOM 850 CA GLN A 761 1.619 -2.519 -6.585 1.00 31.21 C ATOM 851 C GLN A 761 0.492 -1.529 -6.333 1.00 41.32 C ATOM 852 O GLN A 761 -0.646 -1.742 -6.766 1.00 24.14 O ATOM 853 CB GLN A 761 2.167 -2.366 -8.007 1.00 40.51 C ATOM 854 CG GLN A 761 2.951 -1.086 -8.225 1.00 3.40 C ATOM 855 CD GLN A 761 3.736 -1.098 -9.521 1.00 11.53 C ATOM 856 OE1 GLN A 761 3.326 -1.712 -10.510 1.00 54.32 O ATOM 857 NE2 GLN A 761 4.884 -0.438 -9.521 1.00 50.32 N ATOM 0 H GLN A 761 0.248 -4.079 -6.820 1.00 73.21 H new ATOM 0 HA GLN A 761 2.431 -2.313 -5.887 1.00 31.21 H new ATOM 0 HB2 GLN A 761 2.809 -3.217 -8.233 1.00 40.51 H new ATOM 0 HB3 GLN A 761 1.336 -2.397 -8.712 1.00 40.51 H new ATOM 0 HG2 GLN A 761 2.264 -0.240 -8.228 1.00 3.40 H new ATOM 0 HG3 GLN A 761 3.636 -0.937 -7.391 1.00 3.40 H new ATOM 0 HE21 GLN A 761 5.188 0.057 -8.683 1.00 50.32 H new ATOM 0 HE22 GLN A 761 5.465 -0.425 -10.359 1.00 50.32 H new ATOM 866 N ALA A 762 0.810 -0.465 -5.612 1.00 71.44 N ATOM 867 CA ALA A 762 -0.170 0.555 -5.288 1.00 62.23 C ATOM 868 C ALA A 762 -0.190 1.631 -6.361 1.00 22.15 C ATOM 869 O ALA A 762 0.767 2.386 -6.529 1.00 63.04 O ATOM 870 CB ALA A 762 0.118 1.159 -3.922 1.00 61.25 C ATOM 0 H ALA A 762 1.743 -0.287 -5.240 1.00 71.44 H new ATOM 0 HA ALA A 762 -1.155 0.090 -5.252 1.00 62.23 H new ATOM 0 HB1 ALA A 762 -0.627 1.922 -3.697 1.00 61.25 H new ATOM 0 HB2 ALA A 762 0.078 0.378 -3.163 1.00 61.25 H new ATOM 0 HB3 ALA A 762 1.110 1.611 -3.926 1.00 61.25 H new ATOM 876 N LYS A 763 -1.275 1.669 -7.105 1.00 63.53 N ATOM 877 CA LYS A 763 -1.470 2.674 -8.130 1.00 20.52 C ATOM 878 C LYS A 763 -2.268 3.836 -7.560 1.00 51.15 C ATOM 879 O LYS A 763 -3.464 3.708 -7.317 1.00 15.10 O ATOM 880 CB LYS A 763 -2.217 2.067 -9.313 1.00 51.30 C ATOM 881 CG LYS A 763 -2.478 3.043 -10.446 1.00 53.12 C ATOM 882 CD LYS A 763 -3.634 2.572 -11.304 1.00 11.24 C ATOM 883 CE LYS A 763 -3.849 3.470 -12.506 1.00 71.30 C ATOM 884 NZ LYS A 763 -5.212 3.304 -13.071 1.00 50.33 N ATOM 0 H LYS A 763 -2.045 1.006 -7.017 1.00 63.53 H new ATOM 0 HA LYS A 763 -0.499 3.035 -8.468 1.00 20.52 H new ATOM 0 HB2 LYS A 763 -1.643 1.224 -9.698 1.00 51.30 H new ATOM 0 HB3 LYS A 763 -3.170 1.670 -8.963 1.00 51.30 H new ATOM 0 HG2 LYS A 763 -2.699 4.030 -10.039 1.00 53.12 H new ATOM 0 HG3 LYS A 763 -1.582 3.145 -11.058 1.00 53.12 H new ATOM 0 HD2 LYS A 763 -3.444 1.553 -11.642 1.00 11.24 H new ATOM 0 HD3 LYS A 763 -4.544 2.545 -10.704 1.00 11.24 H new ATOM 0 HE2 LYS A 763 -3.698 4.510 -12.216 1.00 71.30 H new ATOM 0 HE3 LYS A 763 -3.107 3.241 -13.270 1.00 71.30 H new ATOM 0 HZ1 LYS A 763 -5.387 4.045 -13.779 1.00 50.33 H new ATOM 0 HZ2 LYS A 763 -5.290 2.370 -13.522 1.00 50.33 H new ATOM 0 HZ3 LYS A 763 -5.915 3.380 -12.309 1.00 50.33 H new ATOM 898 N VAL A 764 -1.614 4.956 -7.328 1.00 24.35 N ATOM 899 CA VAL A 764 -2.285 6.113 -6.763 1.00 43.20 C ATOM 900 C VAL A 764 -2.352 7.248 -7.775 1.00 0.23 C ATOM 901 O VAL A 764 -1.366 7.945 -8.011 1.00 72.24 O ATOM 902 CB VAL A 764 -1.591 6.595 -5.476 1.00 13.43 C ATOM 903 CG1 VAL A 764 -2.345 7.760 -4.853 1.00 64.22 C ATOM 904 CG2 VAL A 764 -1.471 5.445 -4.490 1.00 53.33 C ATOM 0 H VAL A 764 -0.622 5.091 -7.521 1.00 24.35 H new ATOM 0 HA VAL A 764 -3.300 5.807 -6.508 1.00 43.20 H new ATOM 0 HB VAL A 764 -0.591 6.945 -5.732 1.00 13.43 H new ATOM 0 HG11 VAL A 764 -1.833 8.081 -3.946 1.00 64.22 H new ATOM 0 HG12 VAL A 764 -2.383 8.589 -5.560 1.00 64.22 H new ATOM 0 HG13 VAL A 764 -3.359 7.447 -4.606 1.00 64.22 H new ATOM 0 HG21 VAL A 764 -0.979 5.794 -3.582 1.00 53.33 H new ATOM 0 HG22 VAL A 764 -2.465 5.072 -4.244 1.00 53.33 H new ATOM 0 HG23 VAL A 764 -0.883 4.643 -4.936 1.00 53.33 H new ATOM 914 N GLY A 765 -3.511 7.393 -8.401 1.00 11.33 N ATOM 915 CA GLY A 765 -3.719 8.465 -9.357 1.00 12.21 C ATOM 916 C GLY A 765 -2.910 8.284 -10.625 1.00 32.34 C ATOM 917 O GLY A 765 -2.640 9.246 -11.344 1.00 73.14 O ATOM 0 H GLY A 765 -4.317 6.783 -8.263 1.00 11.33 H new ATOM 0 HA2 GLY A 765 -4.778 8.519 -9.611 1.00 12.21 H new ATOM 0 HA3 GLY A 765 -3.453 9.415 -8.894 1.00 12.21 H new ATOM 921 N GLY A 766 -2.526 7.045 -10.903 1.00 63.54 N ATOM 922 CA GLY A 766 -1.728 6.764 -12.079 1.00 64.01 C ATOM 923 C GLY A 766 -0.260 6.614 -11.748 1.00 62.22 C ATOM 924 O GLY A 766 0.560 6.336 -12.623 1.00 15.55 O ATOM 0 H GLY A 766 -2.753 6.229 -10.334 1.00 63.54 H new ATOM 0 HA2 GLY A 766 -2.088 5.850 -12.551 1.00 64.01 H new ATOM 0 HA3 GLY A 766 -1.855 7.568 -12.804 1.00 64.01 H new ATOM 928 N ARG A 767 0.077 6.810 -10.484 1.00 50.44 N ATOM 929 CA ARG A 767 1.445 6.659 -10.027 1.00 2.22 C ATOM 930 C ARG A 767 1.600 5.307 -9.339 1.00 4.32 C ATOM 931 O ARG A 767 0.892 5.008 -8.380 1.00 3.14 O ATOM 932 CB ARG A 767 1.805 7.799 -9.074 1.00 32.50 C ATOM 933 CG ARG A 767 3.294 8.085 -8.991 1.00 62.33 C ATOM 934 CD ARG A 767 3.570 9.282 -8.096 1.00 31.11 C ATOM 935 NE ARG A 767 2.755 10.439 -8.468 1.00 51.31 N ATOM 936 CZ ARG A 767 2.792 11.615 -7.840 1.00 33.30 C ATOM 937 NH1 ARG A 767 3.632 11.817 -6.833 1.00 64.51 N ATOM 938 NH2 ARG A 767 1.980 12.593 -8.227 1.00 34.34 N ATOM 0 H ARG A 767 -0.584 7.076 -9.754 1.00 50.44 H new ATOM 0 HA ARG A 767 2.125 6.700 -10.878 1.00 2.22 H new ATOM 0 HB2 ARG A 767 1.289 8.704 -9.394 1.00 32.50 H new ATOM 0 HB3 ARG A 767 1.435 7.557 -8.078 1.00 32.50 H new ATOM 0 HG2 ARG A 767 3.815 7.209 -8.604 1.00 62.33 H new ATOM 0 HG3 ARG A 767 3.688 8.275 -9.990 1.00 62.33 H new ATOM 0 HD2 ARG A 767 3.369 9.014 -7.059 1.00 31.11 H new ATOM 0 HD3 ARG A 767 4.626 9.546 -8.158 1.00 31.11 H new ATOM 0 HE ARG A 767 2.118 10.340 -9.258 1.00 51.31 H new ATOM 0 HH11 ARG A 767 4.257 11.069 -6.533 1.00 64.51 H new ATOM 0 HH12 ARG A 767 3.653 12.720 -6.359 1.00 64.51 H new ATOM 0 HH21 ARG A 767 1.333 12.442 -9.001 1.00 34.34 H new ATOM 0 HH22 ARG A 767 2.004 13.494 -7.750 1.00 34.34 H new ATOM 952 N TRP A 768 2.516 4.495 -9.838 1.00 61.22 N ATOM 953 CA TRP A 768 2.651 3.118 -9.381 1.00 43.12 C ATOM 954 C TRP A 768 3.784 2.993 -8.370 1.00 13.12 C ATOM 955 O TRP A 768 4.956 2.930 -8.748 1.00 42.43 O ATOM 956 CB TRP A 768 2.920 2.191 -10.573 1.00 50.52 C ATOM 957 CG TRP A 768 1.940 2.358 -11.692 1.00 34.40 C ATOM 958 CD1 TRP A 768 1.976 3.308 -12.671 1.00 41.22 C ATOM 959 CD2 TRP A 768 0.785 1.555 -11.956 1.00 63.12 C ATOM 960 NE1 TRP A 768 0.909 3.154 -13.518 1.00 13.42 N ATOM 961 CE2 TRP A 768 0.163 2.084 -13.103 1.00 11.10 C ATOM 962 CE3 TRP A 768 0.215 0.441 -11.334 1.00 52.33 C ATOM 963 CZ2 TRP A 768 -1.002 1.542 -13.637 1.00 43.51 C ATOM 964 CZ3 TRP A 768 -0.941 -0.098 -11.867 1.00 50.40 C ATOM 965 CH2 TRP A 768 -1.538 0.453 -13.007 1.00 73.02 C ATOM 0 H TRP A 768 3.181 4.765 -10.563 1.00 61.22 H new ATOM 0 HA TRP A 768 1.718 2.826 -8.899 1.00 43.12 H new ATOM 0 HB2 TRP A 768 3.925 2.379 -10.950 1.00 50.52 H new ATOM 0 HB3 TRP A 768 2.896 1.156 -10.231 1.00 50.52 H new ATOM 0 HD1 TRP A 768 2.735 4.071 -12.765 1.00 41.22 H new ATOM 0 HE1 TRP A 768 0.704 3.741 -14.326 1.00 13.42 H new ATOM 0 HE3 TRP A 768 0.669 0.010 -10.454 1.00 52.33 H new ATOM 0 HZ2 TRP A 768 -1.465 1.965 -14.516 1.00 43.51 H new ATOM 0 HZ3 TRP A 768 -1.391 -0.959 -11.396 1.00 50.40 H new ATOM 0 HH2 TRP A 768 -2.441 0.008 -13.397 1.00 73.02 H new ATOM 976 N PHE A 769 3.431 2.956 -7.093 1.00 13.04 N ATOM 977 CA PHE A 769 4.420 2.862 -6.028 1.00 52.11 C ATOM 978 C PHE A 769 3.746 2.504 -4.705 1.00 44.53 C ATOM 979 O PHE A 769 2.691 3.038 -4.371 1.00 64.11 O ATOM 980 CB PHE A 769 5.196 4.182 -5.883 1.00 42.11 C ATOM 981 CG PHE A 769 4.392 5.302 -5.283 1.00 31.33 C ATOM 982 CD1 PHE A 769 3.468 6.002 -6.041 1.00 74.10 C ATOM 983 CD2 PHE A 769 4.557 5.647 -3.952 1.00 11.32 C ATOM 984 CE1 PHE A 769 2.725 7.025 -5.484 1.00 42.32 C ATOM 985 CE2 PHE A 769 3.816 6.668 -3.388 1.00 40.11 C ATOM 986 CZ PHE A 769 2.900 7.357 -4.156 1.00 31.14 C ATOM 0 H PHE A 769 2.465 2.990 -6.768 1.00 13.04 H new ATOM 0 HA PHE A 769 5.125 2.074 -6.291 1.00 52.11 H new ATOM 0 HB2 PHE A 769 6.076 4.008 -5.264 1.00 42.11 H new ATOM 0 HB3 PHE A 769 5.554 4.491 -6.865 1.00 42.11 H new ATOM 0 HD1 PHE A 769 3.327 5.745 -7.080 1.00 74.10 H new ATOM 0 HD2 PHE A 769 5.274 5.111 -3.347 1.00 11.32 H new ATOM 0 HE1 PHE A 769 2.009 7.564 -6.087 1.00 42.32 H new ATOM 0 HE2 PHE A 769 3.954 6.926 -2.348 1.00 40.11 H new ATOM 0 HZ PHE A 769 2.320 8.156 -3.718 1.00 31.14 H new ATOM 996 N PRO A 770 4.335 1.580 -3.944 1.00 13.13 N ATOM 997 CA PRO A 770 5.516 0.842 -4.353 1.00 51.20 C ATOM 998 C PRO A 770 5.145 -0.499 -4.986 1.00 24.14 C ATOM 999 O PRO A 770 3.966 -0.779 -5.212 1.00 73.30 O ATOM 1000 CB PRO A 770 6.226 0.627 -3.022 1.00 10.41 C ATOM 1001 CG PRO A 770 5.121 0.475 -2.028 1.00 12.11 C ATOM 1002 CD PRO A 770 3.913 1.192 -2.594 1.00 25.43 C ATOM 0 HA PRO A 770 6.114 1.359 -5.104 1.00 51.20 H new ATOM 0 HB2 PRO A 770 6.860 -0.259 -3.049 1.00 10.41 H new ATOM 0 HB3 PRO A 770 6.869 1.472 -2.774 1.00 10.41 H new ATOM 0 HG2 PRO A 770 4.899 -0.578 -1.857 1.00 12.11 H new ATOM 0 HG3 PRO A 770 5.406 0.901 -1.066 1.00 12.11 H new ATOM 0 HD2 PRO A 770 3.038 0.542 -2.620 1.00 25.43 H new ATOM 0 HD3 PRO A 770 3.646 2.061 -1.993 1.00 25.43 H new ATOM 1010 N ALA A 771 6.143 -1.320 -5.274 1.00 42.04 N ATOM 1011 CA ALA A 771 5.905 -2.667 -5.780 1.00 45.33 C ATOM 1012 C ALA A 771 6.556 -3.698 -4.867 1.00 14.20 C ATOM 1013 O ALA A 771 7.782 -3.822 -4.837 1.00 21.03 O ATOM 1014 CB ALA A 771 6.431 -2.803 -7.200 1.00 15.11 C ATOM 0 H ALA A 771 7.128 -1.078 -5.166 1.00 42.04 H new ATOM 0 HA ALA A 771 4.830 -2.848 -5.794 1.00 45.33 H new ATOM 0 HB1 ALA A 771 6.245 -3.814 -7.562 1.00 15.11 H new ATOM 0 HB2 ALA A 771 5.923 -2.087 -7.846 1.00 15.11 H new ATOM 0 HB3 ALA A 771 7.503 -2.605 -7.212 1.00 15.11 H new ATOM 1020 N VAL A 772 5.736 -4.429 -4.116 1.00 54.34 N ATOM 1021 CA VAL A 772 6.240 -5.390 -3.138 1.00 13.03 C ATOM 1022 C VAL A 772 5.561 -6.748 -3.298 1.00 24.14 C ATOM 1023 O VAL A 772 4.557 -6.869 -3.996 1.00 21.34 O ATOM 1024 CB VAL A 772 6.030 -4.894 -1.688 1.00 2.13 C ATOM 1025 CG1 VAL A 772 6.820 -3.618 -1.429 1.00 51.23 C ATOM 1026 CG2 VAL A 772 4.550 -4.676 -1.401 1.00 52.43 C ATOM 0 H VAL A 772 4.719 -4.374 -4.166 1.00 54.34 H new ATOM 0 HA VAL A 772 7.309 -5.493 -3.326 1.00 13.03 H new ATOM 0 HB VAL A 772 6.400 -5.665 -1.012 1.00 2.13 H new ATOM 0 HG11 VAL A 772 6.655 -3.290 -0.403 1.00 51.23 H new ATOM 0 HG12 VAL A 772 7.882 -3.810 -1.583 1.00 51.23 H new ATOM 0 HG13 VAL A 772 6.489 -2.839 -2.116 1.00 51.23 H new ATOM 0 HG21 VAL A 772 4.426 -4.327 -0.376 1.00 52.43 H new ATOM 0 HG22 VAL A 772 4.152 -3.930 -2.089 1.00 52.43 H new ATOM 0 HG23 VAL A 772 4.012 -5.615 -1.533 1.00 52.43 H new ATOM 1036 N CYS A 773 6.113 -7.765 -2.649 1.00 71.45 N ATOM 1037 CA CYS A 773 5.536 -9.102 -2.694 1.00 52.14 C ATOM 1038 C CYS A 773 5.452 -9.697 -1.292 1.00 1.34 C ATOM 1039 O CYS A 773 6.316 -9.447 -0.450 1.00 71.14 O ATOM 1040 CB CYS A 773 6.361 -10.005 -3.614 1.00 22.32 C ATOM 1041 SG CYS A 773 8.122 -10.073 -3.207 1.00 25.54 S ATOM 0 H CYS A 773 6.960 -7.689 -2.085 1.00 71.45 H new ATOM 0 HA CYS A 773 4.525 -9.030 -3.095 1.00 52.14 H new ATOM 0 HB2 CYS A 773 5.952 -11.015 -3.575 1.00 22.32 H new ATOM 0 HB3 CYS A 773 6.251 -9.656 -4.641 1.00 22.32 H new ATOM 0 HG CYS A 773 8.730 -10.864 -4.041 1.00 25.54 H new ATOM 1047 N ALA A 774 4.406 -10.475 -1.042 1.00 35.25 N ATOM 1048 CA ALA A 774 4.199 -11.091 0.265 1.00 12.33 C ATOM 1049 C ALA A 774 3.544 -12.458 0.114 1.00 31.22 C ATOM 1050 O ALA A 774 2.845 -12.703 -0.866 1.00 43.41 O ATOM 1051 CB ALA A 774 3.348 -10.187 1.139 1.00 1.01 C ATOM 0 H ALA A 774 3.685 -10.696 -1.729 1.00 35.25 H new ATOM 0 HA ALA A 774 5.169 -11.228 0.744 1.00 12.33 H new ATOM 0 HB1 ALA A 774 3.200 -10.656 2.112 1.00 1.01 H new ATOM 0 HB2 ALA A 774 3.852 -9.229 1.271 1.00 1.01 H new ATOM 0 HB3 ALA A 774 2.381 -10.026 0.663 1.00 1.01 H new ATOM 1057 N HIS A 775 3.757 -13.340 1.091 1.00 54.32 N ATOM 1058 CA HIS A 775 3.233 -14.708 1.015 1.00 73.22 C ATOM 1059 C HIS A 775 1.726 -14.747 1.289 1.00 53.11 C ATOM 1060 O HIS A 775 1.098 -15.805 1.238 1.00 5.23 O ATOM 1061 CB HIS A 775 3.979 -15.649 1.983 1.00 62.44 C ATOM 1062 CG HIS A 775 3.527 -15.571 3.414 1.00 4.13 C ATOM 1063 ND1 HIS A 775 2.695 -16.508 3.989 1.00 72.04 N ATOM 1064 CD2 HIS A 775 3.805 -14.676 4.390 1.00 33.32 C ATOM 1065 CE1 HIS A 775 2.478 -16.189 5.248 1.00 55.45 C ATOM 1066 NE2 HIS A 775 3.138 -15.082 5.520 1.00 33.11 N ATOM 0 H HIS A 775 4.285 -13.136 1.940 1.00 54.32 H new ATOM 0 HA HIS A 775 3.402 -15.060 -0.003 1.00 73.22 H new ATOM 0 HB2 HIS A 775 3.859 -16.675 1.634 1.00 62.44 H new ATOM 0 HB3 HIS A 775 5.044 -15.421 1.940 1.00 62.44 H new ATOM 0 HD2 HIS A 775 4.435 -13.804 4.298 1.00 33.32 H new ATOM 0 HE1 HIS A 775 1.862 -16.742 5.941 1.00 55.45 H new ATOM 0 HE2 HIS A 775 3.152 -14.605 6.421 1.00 33.11 H new ATOM 1075 N SER A 776 1.157 -13.592 1.596 1.00 3.23 N ATOM 1076 CA SER A 776 -0.278 -13.471 1.778 1.00 14.25 C ATOM 1077 C SER A 776 -0.786 -12.284 0.974 1.00 53.20 C ATOM 1078 O SER A 776 -0.130 -11.240 0.922 1.00 23.53 O ATOM 1079 CB SER A 776 -0.631 -13.299 3.256 1.00 70.32 C ATOM 1080 OG SER A 776 -0.121 -14.367 4.038 1.00 12.41 O ATOM 0 H SER A 776 1.672 -12.721 1.725 1.00 3.23 H new ATOM 0 HA SER A 776 -0.756 -14.385 1.425 1.00 14.25 H new ATOM 0 HB2 SER A 776 -0.227 -12.354 3.620 1.00 70.32 H new ATOM 0 HB3 SER A 776 -1.714 -13.248 3.369 1.00 70.32 H new ATOM 0 HG SER A 776 0.358 -14.005 4.813 1.00 12.41 H new ATOM 1086 N LYS A 777 -1.945 -12.449 0.355 1.00 63.24 N ATOM 1087 CA LYS A 777 -2.485 -11.441 -0.547 1.00 54.11 C ATOM 1088 C LYS A 777 -2.728 -10.122 0.179 1.00 34.55 C ATOM 1089 O LYS A 777 -2.360 -9.055 -0.318 1.00 34.35 O ATOM 1090 CB LYS A 777 -3.773 -11.954 -1.200 1.00 4.11 C ATOM 1091 CG LYS A 777 -4.331 -11.029 -2.272 1.00 32.53 C ATOM 1092 CD LYS A 777 -5.433 -10.131 -1.733 1.00 73.10 C ATOM 1093 CE LYS A 777 -6.687 -10.926 -1.406 1.00 41.12 C ATOM 1094 NZ LYS A 777 -7.213 -11.646 -2.597 1.00 63.03 N ATOM 0 H LYS A 777 -2.533 -13.276 0.461 1.00 63.24 H new ATOM 0 HA LYS A 777 -1.750 -11.252 -1.329 1.00 54.11 H new ATOM 0 HB2 LYS A 777 -3.580 -12.932 -1.642 1.00 4.11 H new ATOM 0 HB3 LYS A 777 -4.529 -12.097 -0.428 1.00 4.11 H new ATOM 0 HG2 LYS A 777 -3.526 -10.414 -2.674 1.00 32.53 H new ATOM 0 HG3 LYS A 777 -4.720 -11.625 -3.098 1.00 32.53 H new ATOM 0 HD2 LYS A 777 -5.081 -9.619 -0.837 1.00 73.10 H new ATOM 0 HD3 LYS A 777 -5.670 -9.362 -2.468 1.00 73.10 H new ATOM 0 HE2 LYS A 777 -6.466 -11.644 -0.616 1.00 41.12 H new ATOM 0 HE3 LYS A 777 -7.453 -10.253 -1.021 1.00 41.12 H new ATOM 0 HZ1 LYS A 777 -8.208 -11.903 -2.436 1.00 63.03 H new ATOM 0 HZ2 LYS A 777 -7.145 -11.031 -3.433 1.00 63.03 H new ATOM 0 HZ3 LYS A 777 -6.654 -12.509 -2.756 1.00 63.03 H new ATOM 1108 N LYS A 778 -3.335 -10.190 1.361 1.00 11.35 N ATOM 1109 CA LYS A 778 -3.600 -8.987 2.138 1.00 63.11 C ATOM 1110 C LYS A 778 -2.296 -8.326 2.566 1.00 43.41 C ATOM 1111 O LYS A 778 -2.181 -7.103 2.541 1.00 73.31 O ATOM 1112 CB LYS A 778 -4.452 -9.290 3.374 1.00 34.40 C ATOM 1113 CG LYS A 778 -4.837 -8.035 4.143 1.00 22.31 C ATOM 1114 CD LYS A 778 -5.631 -8.344 5.400 1.00 34.13 C ATOM 1115 CE LYS A 778 -5.999 -7.062 6.132 1.00 33.22 C ATOM 1116 NZ LYS A 778 -6.735 -7.326 7.393 1.00 14.41 N ATOM 0 H LYS A 778 -3.649 -11.057 1.797 1.00 11.35 H new ATOM 0 HA LYS A 778 -4.157 -8.304 1.496 1.00 63.11 H new ATOM 0 HB2 LYS A 778 -5.357 -9.815 3.067 1.00 34.40 H new ATOM 0 HB3 LYS A 778 -3.902 -9.961 4.034 1.00 34.40 H new ATOM 0 HG2 LYS A 778 -3.934 -7.487 4.413 1.00 22.31 H new ATOM 0 HG3 LYS A 778 -5.425 -7.383 3.497 1.00 22.31 H new ATOM 0 HD2 LYS A 778 -6.536 -8.892 5.139 1.00 34.13 H new ATOM 0 HD3 LYS A 778 -5.046 -8.988 6.056 1.00 34.13 H new ATOM 0 HE2 LYS A 778 -5.092 -6.500 6.354 1.00 33.22 H new ATOM 0 HE3 LYS A 778 -6.610 -6.437 5.481 1.00 33.22 H new ATOM 0 HZ1 LYS A 778 -6.964 -6.424 7.857 1.00 14.41 H new ATOM 0 HZ2 LYS A 778 -7.614 -7.840 7.181 1.00 14.41 H new ATOM 0 HZ3 LYS A 778 -6.143 -7.900 8.027 1.00 14.41 H new ATOM 1130 N GLN A 779 -1.309 -9.138 2.939 1.00 61.33 N ATOM 1131 CA GLN A 779 -0.017 -8.617 3.378 1.00 24.20 C ATOM 1132 C GLN A 779 0.636 -7.805 2.270 1.00 52.52 C ATOM 1133 O GLN A 779 1.240 -6.767 2.530 1.00 21.23 O ATOM 1134 CB GLN A 779 0.924 -9.744 3.806 1.00 34.20 C ATOM 1135 CG GLN A 779 0.429 -10.550 4.993 1.00 24.01 C ATOM 1136 CD GLN A 779 1.454 -11.561 5.477 1.00 63.45 C ATOM 1137 OE1 GLN A 779 1.100 -12.642 5.953 1.00 11.41 O ATOM 1138 NE2 GLN A 779 2.729 -11.217 5.374 1.00 10.34 N ATOM 0 H GLN A 779 -1.379 -10.156 2.946 1.00 61.33 H new ATOM 0 HA GLN A 779 -0.201 -7.974 4.239 1.00 24.20 H new ATOM 0 HB2 GLN A 779 1.075 -10.417 2.962 1.00 34.20 H new ATOM 0 HB3 GLN A 779 1.896 -9.317 4.051 1.00 34.20 H new ATOM 0 HG2 GLN A 779 0.178 -9.872 5.809 1.00 24.01 H new ATOM 0 HG3 GLN A 779 -0.488 -11.071 4.718 1.00 24.01 H new ATOM 0 HE21 GLN A 779 2.983 -10.314 4.974 1.00 10.34 H new ATOM 0 HE22 GLN A 779 3.457 -11.856 5.694 1.00 10.34 H new ATOM 1147 N GLY A 780 0.506 -8.282 1.036 1.00 34.11 N ATOM 1148 CA GLY A 780 1.044 -7.561 -0.101 1.00 10.54 C ATOM 1149 C GLY A 780 0.425 -6.188 -0.236 1.00 33.24 C ATOM 1150 O GLY A 780 1.122 -5.203 -0.466 1.00 50.01 O ATOM 0 H GLY A 780 0.036 -9.157 0.804 1.00 34.11 H new ATOM 0 HA2 GLY A 780 2.124 -7.464 0.007 1.00 10.54 H new ATOM 0 HA3 GLY A 780 0.865 -8.132 -1.012 1.00 10.54 H new ATOM 1154 N LYS A 781 -0.889 -6.128 -0.066 1.00 44.54 N ATOM 1155 CA LYS A 781 -1.613 -4.867 -0.128 1.00 63.51 C ATOM 1156 C LYS A 781 -1.250 -3.977 1.057 1.00 73.13 C ATOM 1157 O LYS A 781 -1.079 -2.766 0.906 1.00 13.12 O ATOM 1158 CB LYS A 781 -3.121 -5.123 -0.149 1.00 41.33 C ATOM 1159 CG LYS A 781 -3.568 -5.974 -1.327 1.00 51.45 C ATOM 1160 CD LYS A 781 -5.079 -6.143 -1.373 1.00 60.13 C ATOM 1161 CE LYS A 781 -5.786 -4.806 -1.522 1.00 33.11 C ATOM 1162 NZ LYS A 781 -7.229 -4.972 -1.836 1.00 12.11 N ATOM 0 H LYS A 781 -1.476 -6.942 0.117 1.00 44.54 H new ATOM 0 HA LYS A 781 -1.328 -4.354 -1.046 1.00 63.51 H new ATOM 0 HB2 LYS A 781 -3.412 -5.616 0.778 1.00 41.33 H new ATOM 0 HB3 LYS A 781 -3.645 -4.168 -0.180 1.00 41.33 H new ATOM 0 HG2 LYS A 781 -3.227 -5.515 -2.255 1.00 51.45 H new ATOM 0 HG3 LYS A 781 -3.096 -6.955 -1.264 1.00 51.45 H new ATOM 0 HD2 LYS A 781 -5.348 -6.793 -2.206 1.00 60.13 H new ATOM 0 HD3 LYS A 781 -5.419 -6.636 -0.462 1.00 60.13 H new ATOM 0 HE2 LYS A 781 -5.679 -4.234 -0.600 1.00 33.11 H new ATOM 0 HE3 LYS A 781 -5.307 -4.229 -2.313 1.00 33.11 H new ATOM 0 HZ1 LYS A 781 -7.674 -4.037 -1.929 1.00 12.11 H new ATOM 0 HZ2 LYS A 781 -7.332 -5.495 -2.729 1.00 12.11 H new ATOM 0 HZ3 LYS A 781 -7.692 -5.501 -1.070 1.00 12.11 H new ATOM 1176 N GLN A 782 -1.126 -4.589 2.230 1.00 54.45 N ATOM 1177 CA GLN A 782 -0.762 -3.864 3.440 1.00 54.12 C ATOM 1178 C GLN A 782 0.617 -3.237 3.307 1.00 25.04 C ATOM 1179 O GLN A 782 0.773 -2.045 3.538 1.00 24.13 O ATOM 1180 CB GLN A 782 -0.789 -4.784 4.662 1.00 73.12 C ATOM 1181 CG GLN A 782 -2.184 -5.228 5.071 1.00 30.32 C ATOM 1182 CD GLN A 782 -2.172 -6.165 6.263 1.00 35.00 C ATOM 1183 OE1 GLN A 782 -3.108 -6.187 7.061 1.00 10.32 O ATOM 1184 NE2 GLN A 782 -1.111 -6.948 6.393 1.00 13.03 N ATOM 0 H GLN A 782 -1.273 -5.589 2.368 1.00 54.45 H new ATOM 0 HA GLN A 782 -1.499 -3.073 3.577 1.00 54.12 H new ATOM 0 HB2 GLN A 782 -0.185 -5.667 4.453 1.00 73.12 H new ATOM 0 HB3 GLN A 782 -0.322 -4.270 5.502 1.00 73.12 H new ATOM 0 HG2 GLN A 782 -2.785 -4.351 5.309 1.00 30.32 H new ATOM 0 HG3 GLN A 782 -2.665 -5.724 4.228 1.00 30.32 H new ATOM 0 HE21 GLN A 782 -0.355 -6.900 5.710 1.00 13.03 H new ATOM 0 HE22 GLN A 782 -1.050 -7.599 7.176 1.00 13.03 H new ATOM 1193 N GLU A 783 1.607 -4.037 2.922 1.00 74.51 N ATOM 1194 CA GLU A 783 2.978 -3.550 2.799 1.00 2.01 C ATOM 1195 C GLU A 783 3.088 -2.511 1.693 1.00 50.10 C ATOM 1196 O GLU A 783 3.876 -1.570 1.794 1.00 50.14 O ATOM 1197 CB GLU A 783 3.949 -4.700 2.534 1.00 53.31 C ATOM 1198 CG GLU A 783 3.992 -5.730 3.648 1.00 40.33 C ATOM 1199 CD GLU A 783 4.222 -5.110 5.011 1.00 72.33 C ATOM 1200 OE1 GLU A 783 5.368 -4.699 5.299 1.00 14.25 O ATOM 1201 OE2 GLU A 783 3.265 -5.046 5.806 1.00 33.54 O ATOM 0 H GLU A 783 1.486 -5.023 2.690 1.00 74.51 H new ATOM 0 HA GLU A 783 3.246 -3.082 3.746 1.00 2.01 H new ATOM 0 HB2 GLU A 783 3.668 -5.195 1.604 1.00 53.31 H new ATOM 0 HB3 GLU A 783 4.950 -4.293 2.388 1.00 53.31 H new ATOM 0 HG2 GLU A 783 3.054 -6.285 3.660 1.00 40.33 H new ATOM 0 HG3 GLU A 783 4.785 -6.449 3.442 1.00 40.33 H new ATOM 1208 N ALA A 784 2.297 -2.685 0.642 1.00 62.34 N ATOM 1209 CA ALA A 784 2.240 -1.701 -0.428 1.00 2.32 C ATOM 1210 C ALA A 784 1.795 -0.357 0.128 1.00 63.43 C ATOM 1211 O ALA A 784 2.479 0.648 -0.033 1.00 30.31 O ATOM 1212 CB ALA A 784 1.301 -2.160 -1.535 1.00 74.43 C ATOM 0 H ALA A 784 1.690 -3.494 0.509 1.00 62.34 H new ATOM 0 HA ALA A 784 3.237 -1.593 -0.856 1.00 2.32 H new ATOM 0 HB1 ALA A 784 1.274 -1.409 -2.324 1.00 74.43 H new ATOM 0 HB2 ALA A 784 1.657 -3.105 -1.946 1.00 74.43 H new ATOM 0 HB3 ALA A 784 0.299 -2.296 -1.129 1.00 74.43 H new ATOM 1218 N ALA A 785 0.663 -0.355 0.816 1.00 44.53 N ATOM 1219 CA ALA A 785 0.133 0.862 1.409 1.00 1.20 C ATOM 1220 C ALA A 785 1.059 1.381 2.507 1.00 75.15 C ATOM 1221 O ALA A 785 1.278 2.583 2.625 1.00 53.24 O ATOM 1222 CB ALA A 785 -1.257 0.607 1.956 1.00 45.31 C ATOM 0 H ALA A 785 0.093 -1.185 0.977 1.00 44.53 H new ATOM 0 HA ALA A 785 0.071 1.628 0.636 1.00 1.20 H new ATOM 0 HB1 ALA A 785 -1.648 1.523 2.399 1.00 45.31 H new ATOM 0 HB2 ALA A 785 -1.913 0.287 1.147 1.00 45.31 H new ATOM 0 HB3 ALA A 785 -1.211 -0.173 2.716 1.00 45.31 H new ATOM 1228 N ASP A 786 1.599 0.458 3.295 1.00 43.24 N ATOM 1229 CA ASP A 786 2.538 0.782 4.369 1.00 23.12 C ATOM 1230 C ASP A 786 3.709 1.594 3.837 1.00 11.43 C ATOM 1231 O ASP A 786 3.980 2.704 4.302 1.00 3.13 O ATOM 1232 CB ASP A 786 3.049 -0.511 5.015 1.00 72.43 C ATOM 1233 CG ASP A 786 4.136 -0.276 6.045 1.00 42.23 C ATOM 1234 OD1 ASP A 786 3.799 -0.078 7.228 1.00 50.15 O ATOM 1235 OD2 ASP A 786 5.330 -0.322 5.675 1.00 35.23 O ATOM 0 H ASP A 786 1.399 -0.539 3.209 1.00 43.24 H new ATOM 0 HA ASP A 786 2.018 1.381 5.116 1.00 23.12 H new ATOM 0 HB2 ASP A 786 2.214 -1.027 5.489 1.00 72.43 H new ATOM 0 HB3 ASP A 786 3.432 -1.171 4.237 1.00 72.43 H new ATOM 1240 N ALA A 787 4.388 1.044 2.842 1.00 62.14 N ATOM 1241 CA ALA A 787 5.519 1.719 2.234 1.00 25.10 C ATOM 1242 C ALA A 787 5.071 2.985 1.519 1.00 21.25 C ATOM 1243 O ALA A 787 5.754 4.006 1.579 1.00 31.23 O ATOM 1244 CB ALA A 787 6.245 0.788 1.276 1.00 40.01 C ATOM 0 H ALA A 787 4.174 0.131 2.440 1.00 62.14 H new ATOM 0 HA ALA A 787 6.212 2.004 3.025 1.00 25.10 H new ATOM 0 HB1 ALA A 787 7.090 1.312 0.830 1.00 40.01 H new ATOM 0 HB2 ALA A 787 6.606 -0.085 1.820 1.00 40.01 H new ATOM 0 HB3 ALA A 787 5.560 0.468 0.490 1.00 40.01 H new ATOM 1250 N ALA A 788 3.907 2.919 0.871 1.00 74.42 N ATOM 1251 CA ALA A 788 3.380 4.047 0.107 1.00 74.13 C ATOM 1252 C ALA A 788 3.156 5.259 0.998 1.00 2.43 C ATOM 1253 O ALA A 788 3.539 6.374 0.641 1.00 64.22 O ATOM 1254 CB ALA A 788 2.085 3.665 -0.594 1.00 65.24 C ATOM 0 H ALA A 788 3.310 2.092 0.861 1.00 74.42 H new ATOM 0 HA ALA A 788 4.122 4.310 -0.647 1.00 74.13 H new ATOM 0 HB1 ALA A 788 1.710 4.520 -1.157 1.00 65.24 H new ATOM 0 HB2 ALA A 788 2.271 2.835 -1.276 1.00 65.24 H new ATOM 0 HB3 ALA A 788 1.344 3.366 0.148 1.00 65.24 H new ATOM 1260 N LEU A 789 2.546 5.042 2.162 1.00 3.51 N ATOM 1261 CA LEU A 789 2.302 6.131 3.099 1.00 74.21 C ATOM 1262 C LEU A 789 3.617 6.781 3.493 1.00 44.13 C ATOM 1263 O LEU A 789 3.738 8.000 3.481 1.00 72.32 O ATOM 1264 CB LEU A 789 1.569 5.643 4.353 1.00 24.05 C ATOM 1265 CG LEU A 789 0.218 4.974 4.104 1.00 64.43 C ATOM 1266 CD1 LEU A 789 -0.453 4.618 5.421 1.00 31.42 C ATOM 1267 CD2 LEU A 789 -0.676 5.877 3.276 1.00 24.53 C ATOM 0 H LEU A 789 2.215 4.129 2.475 1.00 3.51 H new ATOM 0 HA LEU A 789 1.666 6.862 2.601 1.00 74.21 H new ATOM 0 HB2 LEU A 789 2.213 4.938 4.878 1.00 24.05 H new ATOM 0 HB3 LEU A 789 1.417 6.493 5.018 1.00 24.05 H new ATOM 0 HG LEU A 789 0.387 4.053 3.547 1.00 64.43 H new ATOM 0 HD11 LEU A 789 -1.414 4.143 5.223 1.00 31.42 H new ATOM 0 HD12 LEU A 789 0.183 3.932 5.980 1.00 31.42 H new ATOM 0 HD13 LEU A 789 -0.610 5.524 6.006 1.00 31.42 H new ATOM 0 HD21 LEU A 789 -1.634 5.385 3.108 1.00 24.53 H new ATOM 0 HD22 LEU A 789 -0.838 6.815 3.807 1.00 24.53 H new ATOM 0 HD23 LEU A 789 -0.199 6.081 2.317 1.00 24.53 H new ATOM 1279 N ARG A 790 4.610 5.958 3.806 1.00 20.40 N ATOM 1280 CA ARG A 790 5.918 6.447 4.207 1.00 22.31 C ATOM 1281 C ARG A 790 6.626 7.195 3.075 1.00 61.31 C ATOM 1282 O ARG A 790 7.461 8.064 3.331 1.00 45.00 O ATOM 1283 CB ARG A 790 6.763 5.281 4.700 1.00 2.23 C ATOM 1284 CG ARG A 790 6.305 4.754 6.047 1.00 12.01 C ATOM 1285 CD ARG A 790 6.953 3.425 6.370 1.00 54.21 C ATOM 1286 NE ARG A 790 6.974 3.163 7.808 1.00 22.43 N ATOM 1287 CZ ARG A 790 7.236 1.972 8.346 1.00 14.12 C ATOM 1288 NH1 ARG A 790 7.472 0.925 7.568 1.00 34.44 N ATOM 1289 NH2 ARG A 790 7.260 1.832 9.666 1.00 4.20 N ATOM 0 H ARG A 790 4.530 4.941 3.789 1.00 20.40 H new ATOM 0 HA ARG A 790 5.781 7.165 5.016 1.00 22.31 H new ATOM 0 HB2 ARG A 790 6.725 4.475 3.967 1.00 2.23 H new ATOM 0 HB3 ARG A 790 7.804 5.597 4.773 1.00 2.23 H new ATOM 0 HG2 ARG A 790 6.549 5.478 6.825 1.00 12.01 H new ATOM 0 HG3 ARG A 790 5.221 4.641 6.046 1.00 12.01 H new ATOM 0 HD2 ARG A 790 6.413 2.625 5.863 1.00 54.21 H new ATOM 0 HD3 ARG A 790 7.972 3.415 5.984 1.00 54.21 H new ATOM 0 HE ARG A 790 6.776 3.940 8.439 1.00 22.43 H new ATOM 0 HH11 ARG A 790 7.454 1.029 6.553 1.00 34.44 H new ATOM 0 HH12 ARG A 790 7.672 0.015 7.984 1.00 34.44 H new ATOM 0 HH21 ARG A 790 7.078 2.635 10.267 1.00 4.20 H new ATOM 0 HH22 ARG A 790 7.460 0.921 10.079 1.00 4.20 H new ATOM 1303 N VAL A 791 6.294 6.861 1.830 1.00 72.34 N ATOM 1304 CA VAL A 791 6.806 7.608 0.681 1.00 70.22 C ATOM 1305 C VAL A 791 6.232 9.021 0.697 1.00 51.14 C ATOM 1306 O VAL A 791 6.952 10.004 0.517 1.00 14.14 O ATOM 1307 CB VAL A 791 6.439 6.927 -0.664 1.00 12.33 C ATOM 1308 CG1 VAL A 791 7.000 7.700 -1.847 1.00 44.01 C ATOM 1309 CG2 VAL A 791 6.933 5.494 -0.703 1.00 42.55 C ATOM 0 H VAL A 791 5.678 6.084 1.591 1.00 72.34 H new ATOM 0 HA VAL A 791 7.893 7.634 0.761 1.00 70.22 H new ATOM 0 HB VAL A 791 5.351 6.924 -0.738 1.00 12.33 H new ATOM 0 HG11 VAL A 791 6.725 7.197 -2.774 1.00 44.01 H new ATOM 0 HG12 VAL A 791 6.592 8.711 -1.848 1.00 44.01 H new ATOM 0 HG13 VAL A 791 8.086 7.748 -1.768 1.00 44.01 H new ATOM 0 HG21 VAL A 791 6.662 5.041 -1.657 1.00 42.55 H new ATOM 0 HG22 VAL A 791 8.017 5.480 -0.590 1.00 42.55 H new ATOM 0 HG23 VAL A 791 6.476 4.929 0.109 1.00 42.55 H new ATOM 1319 N LEU A 792 4.930 9.100 0.945 1.00 62.24 N ATOM 1320 CA LEU A 792 4.219 10.373 1.007 1.00 61.43 C ATOM 1321 C LEU A 792 4.675 11.172 2.224 1.00 32.11 C ATOM 1322 O LEU A 792 4.921 12.378 2.138 1.00 41.12 O ATOM 1323 CB LEU A 792 2.714 10.114 1.097 1.00 51.44 C ATOM 1324 CG LEU A 792 2.186 9.060 0.122 1.00 34.20 C ATOM 1325 CD1 LEU A 792 0.739 8.727 0.431 1.00 65.32 C ATOM 1326 CD2 LEU A 792 2.335 9.533 -1.315 1.00 3.03 C ATOM 0 H LEU A 792 4.338 8.286 1.109 1.00 62.24 H new ATOM 0 HA LEU A 792 4.438 10.946 0.106 1.00 61.43 H new ATOM 0 HB2 LEU A 792 2.473 9.802 2.113 1.00 51.44 H new ATOM 0 HB3 LEU A 792 2.187 11.051 0.918 1.00 51.44 H new ATOM 0 HG LEU A 792 2.779 8.154 0.243 1.00 34.20 H new ATOM 0 HD11 LEU A 792 0.380 7.976 -0.273 1.00 65.32 H new ATOM 0 HD12 LEU A 792 0.664 8.338 1.447 1.00 65.32 H new ATOM 0 HD13 LEU A 792 0.131 9.627 0.341 1.00 65.32 H new ATOM 0 HD21 LEU A 792 1.953 8.768 -1.991 1.00 3.03 H new ATOM 0 HD22 LEU A 792 1.771 10.455 -1.455 1.00 3.03 H new ATOM 0 HD23 LEU A 792 3.388 9.715 -1.531 1.00 3.03 H new ATOM 1338 N ILE A 793 4.772 10.477 3.352 1.00 24.15 N ATOM 1339 CA ILE A 793 5.242 11.066 4.600 1.00 51.11 C ATOM 1340 C ILE A 793 6.647 11.637 4.430 1.00 22.00 C ATOM 1341 O ILE A 793 6.879 12.820 4.678 1.00 74.14 O ATOM 1342 CB ILE A 793 5.237 10.018 5.738 1.00 12.05 C ATOM 1343 CG1 ILE A 793 3.803 9.571 6.038 1.00 33.21 C ATOM 1344 CG2 ILE A 793 5.895 10.572 6.995 1.00 64.43 C ATOM 1345 CD1 ILE A 793 3.717 8.387 6.978 1.00 31.01 C ATOM 0 H ILE A 793 4.527 9.490 3.427 1.00 24.15 H new ATOM 0 HA ILE A 793 4.561 11.875 4.865 1.00 51.11 H new ATOM 0 HB ILE A 793 5.815 9.154 5.409 1.00 12.05 H new ATOM 0 HG12 ILE A 793 3.254 10.408 6.471 1.00 33.21 H new ATOM 0 HG13 ILE A 793 3.308 9.316 5.101 1.00 33.21 H new ATOM 0 HG21 ILE A 793 5.878 9.815 7.779 1.00 64.43 H new ATOM 0 HG22 ILE A 793 6.928 10.844 6.776 1.00 64.43 H new ATOM 0 HG23 ILE A 793 5.351 11.455 7.331 1.00 64.43 H new ATOM 0 HD11 ILE A 793 2.671 8.129 7.143 1.00 31.01 H new ATOM 0 HD12 ILE A 793 4.236 7.535 6.539 1.00 31.01 H new ATOM 0 HD13 ILE A 793 4.182 8.644 7.930 1.00 31.01 H new ATOM 1357 N GLY A 794 7.570 10.793 3.976 1.00 62.22 N ATOM 1358 CA GLY A 794 8.941 11.218 3.777 1.00 43.15 C ATOM 1359 C GLY A 794 9.047 12.377 2.808 1.00 30.03 C ATOM 1360 O GLY A 794 9.817 13.309 3.033 1.00 12.44 O ATOM 0 H GLY A 794 7.389 9.817 3.742 1.00 62.22 H new ATOM 0 HA2 GLY A 794 9.372 11.508 4.735 1.00 43.15 H new ATOM 0 HA3 GLY A 794 9.529 10.380 3.403 1.00 43.15 H new ATOM 1364 N GLU A 795 8.255 12.321 1.742 1.00 34.13 N ATOM 1365 CA GLU A 795 8.222 13.381 0.738 1.00 43.51 C ATOM 1366 C GLU A 795 7.905 14.723 1.397 1.00 53.34 C ATOM 1367 O GLU A 795 8.583 15.722 1.157 1.00 72.13 O ATOM 1368 CB GLU A 795 7.173 13.036 -0.335 1.00 14.53 C ATOM 1369 CG GLU A 795 7.176 13.938 -1.566 1.00 13.42 C ATOM 1370 CD GLU A 795 6.547 15.298 -1.324 1.00 70.04 C ATOM 1371 OE1 GLU A 795 5.400 15.346 -0.829 1.00 34.42 O ATOM 1372 OE2 GLU A 795 7.200 16.323 -1.622 1.00 42.34 O ATOM 0 H GLU A 795 7.621 11.545 1.550 1.00 34.13 H new ATOM 0 HA GLU A 795 9.199 13.462 0.262 1.00 43.51 H new ATOM 0 HB2 GLU A 795 7.333 12.008 -0.659 1.00 14.53 H new ATOM 0 HB3 GLU A 795 6.184 13.076 0.122 1.00 14.53 H new ATOM 0 HG2 GLU A 795 8.204 14.077 -1.902 1.00 13.42 H new ATOM 0 HG3 GLU A 795 6.641 13.438 -2.374 1.00 13.42 H new ATOM 1379 N ASN A 796 6.897 14.726 2.254 1.00 11.33 N ATOM 1380 CA ASN A 796 6.427 15.956 2.873 1.00 44.41 C ATOM 1381 C ASN A 796 7.398 16.442 3.943 1.00 52.33 C ATOM 1382 O ASN A 796 7.644 17.642 4.071 1.00 41.00 O ATOM 1383 CB ASN A 796 5.040 15.743 3.482 1.00 12.40 C ATOM 1384 CG ASN A 796 4.349 17.048 3.833 1.00 11.24 C ATOM 1385 OD1 ASN A 796 3.666 17.635 2.994 1.00 71.22 O ATOM 1386 ND2 ASN A 796 4.504 17.499 5.068 1.00 45.34 N ATOM 0 H ASN A 796 6.387 13.889 2.538 1.00 11.33 H new ATOM 0 HA ASN A 796 6.366 16.720 2.098 1.00 44.41 H new ATOM 0 HB2 ASN A 796 4.420 15.186 2.779 1.00 12.40 H new ATOM 0 HB3 ASN A 796 5.132 15.132 4.380 1.00 12.40 H new ATOM 0 HD21 ASN A 796 4.048 18.365 5.356 1.00 45.34 H new ATOM 0 HD22 ASN A 796 5.079 16.981 5.732 1.00 45.34 H new