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 Single : A 722 TYR OH : rot -100:sc= 1.22 USER MOD Single : A 724 ASN :FLIP amide:sc= -0.13 F(o=-2.4!,f=-0.13) USER MOD Single : A 725 THR OG1 : rot 75:sc= 0.0415 USER MOD Single : A 726 ASN : amide:sc= -0.82 K(o=-0.82,f=-12!) USER MOD Single : A 734 TYR OH : rot -100:sc= 0.0114 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.0042) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN :FLIP amide:sc= -0.587 F(o=-1.7,f=-0.59) USER MOD Single : A 750 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 754 HIS :FLIP no HD1:sc= -1.31 F(o=-1.9,f=-1.3) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 30:sc= -0.354 USER MOD Single : A 761 GLN : amide:sc= -0.857 K(o=-0.86,f=-2) USER MOD Single : A 763 LYS NZ :NH3+ -152:sc= 2.47 (180deg=1.79) USER MOD Single : A 773 CYS SG : rot 46:sc= 0.118 USER MOD Single : A 775 HIS : no HD1:sc= -0.0652 X(o=-0.065,f=0) USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ -167:sc= -0.0443 (180deg=-0.277) USER MOD Single : A 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 GLN : amide:sc= 0.666 K(o=0.67,f=-6.1!) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 782 GLN :FLIP amide:sc= -0.583 F(o=-1.2,f=-0.58) USER MOD Single : A 796 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.412 15.090 7.224 1.00 45.30 N ATOM 148 CA ILE A 716 1.247 13.901 7.085 1.00 32.53 C ATOM 149 C ILE A 716 1.197 13.033 8.342 1.00 34.43 C ATOM 150 O ILE A 716 1.268 11.805 8.264 1.00 62.13 O ATOM 151 CB ILE A 716 2.709 14.295 6.772 1.00 35.31 C ATOM 152 CG1 ILE A 716 2.778 15.053 5.441 1.00 12.22 C ATOM 153 CG2 ILE A 716 3.615 13.073 6.736 1.00 54.32 C ATOM 154 CD1 ILE A 716 2.296 14.250 4.249 1.00 20.32 C ATOM 0 HA ILE A 716 0.851 13.318 6.254 1.00 32.53 H new ATOM 0 HB ILE A 716 3.062 14.948 7.570 1.00 35.31 H new ATOM 0 HG12 ILE A 716 2.180 15.961 5.520 1.00 12.22 H new ATOM 0 HG13 ILE A 716 3.808 15.364 5.264 1.00 12.22 H new ATOM 0 HG21 ILE A 716 4.636 13.383 6.514 1.00 54.32 H new ATOM 0 HG22 ILE A 716 3.590 12.573 7.704 1.00 54.32 H new ATOM 0 HG23 ILE A 716 3.268 12.386 5.964 1.00 54.32 H new ATOM 0 HD11 ILE A 716 2.376 14.855 3.346 1.00 20.32 H new ATOM 0 HD12 ILE A 716 2.909 13.355 4.141 1.00 20.32 H new ATOM 0 HD13 ILE A 716 1.256 13.962 4.401 1.00 20.32 H new ATOM 166 N GLY A 717 1.041 13.675 9.496 1.00 52.20 N ATOM 167 CA GLY A 717 0.997 12.950 10.756 1.00 61.32 C ATOM 168 C GLY A 717 -0.157 11.971 10.810 1.00 62.15 C ATOM 169 O GLY A 717 -0.089 10.943 11.485 1.00 24.14 O ATOM 0 H GLY A 717 0.944 14.687 9.582 1.00 52.20 H new ATOM 0 HA2 GLY A 717 1.935 12.413 10.897 1.00 61.32 H new ATOM 0 HA3 GLY A 717 0.909 13.659 11.579 1.00 61.32 H new ATOM 173 N GLU A 718 -1.216 12.288 10.075 1.00 40.21 N ATOM 174 CA GLU A 718 -2.376 11.418 9.982 1.00 40.55 C ATOM 175 C GLU A 718 -1.999 10.089 9.339 1.00 40.30 C ATOM 176 O GLU A 718 -2.445 9.033 9.770 1.00 44.50 O ATOM 177 CB GLU A 718 -3.495 12.096 9.185 1.00 62.53 C ATOM 178 CG GLU A 718 -4.260 13.157 9.965 1.00 23.43 C ATOM 179 CD GLU A 718 -3.386 14.289 10.470 1.00 64.50 C ATOM 180 OE1 GLU A 718 -3.010 15.167 9.663 1.00 72.14 O ATOM 181 OE2 GLU A 718 -3.086 14.317 11.678 1.00 51.52 O ATOM 0 H GLU A 718 -1.293 13.148 9.532 1.00 40.21 H new ATOM 0 HA GLU A 718 -2.738 11.224 10.991 1.00 40.55 H new ATOM 0 HB2 GLU A 718 -3.065 12.555 8.294 1.00 62.53 H new ATOM 0 HB3 GLU A 718 -4.197 11.334 8.845 1.00 62.53 H new ATOM 0 HG2 GLU A 718 -5.043 13.570 9.329 1.00 23.43 H new ATOM 0 HG3 GLU A 718 -4.755 12.685 10.814 1.00 23.43 H new ATOM 188 N LEU A 719 -1.147 10.134 8.327 1.00 73.21 N ATOM 189 CA LEU A 719 -0.725 8.915 7.649 1.00 53.13 C ATOM 190 C LEU A 719 0.122 8.058 8.587 1.00 74.14 C ATOM 191 O LEU A 719 0.119 6.830 8.502 1.00 3.54 O ATOM 192 CB LEU A 719 0.065 9.228 6.369 1.00 43.24 C ATOM 193 CG LEU A 719 -0.729 9.876 5.224 1.00 41.53 C ATOM 194 CD1 LEU A 719 -2.036 9.139 4.982 1.00 60.31 C ATOM 195 CD2 LEU A 719 -0.986 11.349 5.497 1.00 61.13 C ATOM 0 H LEU A 719 -0.736 10.992 7.958 1.00 73.21 H new ATOM 0 HA LEU A 719 -1.622 8.364 7.365 1.00 53.13 H new ATOM 0 HB2 LEU A 719 0.892 9.889 6.630 1.00 43.24 H new ATOM 0 HB3 LEU A 719 0.502 8.300 6.001 1.00 43.24 H new ATOM 0 HG LEU A 719 -0.124 9.802 4.320 1.00 41.53 H new ATOM 0 HD11 LEU A 719 -2.578 9.618 4.167 1.00 60.31 H new ATOM 0 HD12 LEU A 719 -1.826 8.102 4.718 1.00 60.31 H new ATOM 0 HD13 LEU A 719 -2.643 9.167 5.887 1.00 60.31 H new ATOM 0 HD21 LEU A 719 -1.550 11.780 4.669 1.00 61.13 H new ATOM 0 HD22 LEU A 719 -1.558 11.454 6.419 1.00 61.13 H new ATOM 0 HD23 LEU A 719 -0.035 11.872 5.599 1.00 61.13 H new ATOM 207 N VAL A 720 0.825 8.721 9.501 1.00 62.41 N ATOM 208 CA VAL A 720 1.681 8.040 10.463 1.00 12.32 C ATOM 209 C VAL A 720 0.846 7.202 11.433 1.00 33.12 C ATOM 210 O VAL A 720 1.199 6.063 11.749 1.00 52.32 O ATOM 211 CB VAL A 720 2.540 9.044 11.267 1.00 55.22 C ATOM 212 CG1 VAL A 720 3.462 8.319 12.233 1.00 31.23 C ATOM 213 CG2 VAL A 720 3.342 9.938 10.333 1.00 52.04 C ATOM 0 H VAL A 720 0.817 9.737 9.594 1.00 62.41 H new ATOM 0 HA VAL A 720 2.345 7.387 9.896 1.00 12.32 H new ATOM 0 HB VAL A 720 1.865 9.672 11.848 1.00 55.22 H new ATOM 0 HG11 VAL A 720 4.055 9.047 12.786 1.00 31.23 H new ATOM 0 HG12 VAL A 720 2.867 7.730 12.931 1.00 31.23 H new ATOM 0 HG13 VAL A 720 4.126 7.659 11.676 1.00 31.23 H new ATOM 0 HG21 VAL A 720 3.938 10.636 10.921 1.00 52.04 H new ATOM 0 HG22 VAL A 720 4.001 9.324 9.719 1.00 52.04 H new ATOM 0 HG23 VAL A 720 2.661 10.495 9.689 1.00 52.04 H new ATOM 223 N ARG A 721 -0.276 7.757 11.882 1.00 70.24 N ATOM 224 CA ARG A 721 -1.145 7.048 12.816 1.00 44.05 C ATOM 225 C ARG A 721 -1.731 5.810 12.143 1.00 32.15 C ATOM 226 O ARG A 721 -2.017 4.807 12.798 1.00 62.20 O ATOM 227 CB ARG A 721 -2.266 7.959 13.338 1.00 14.31 C ATOM 228 CG ARG A 721 -3.373 8.222 12.332 1.00 41.30 C ATOM 229 CD ARG A 721 -4.463 9.112 12.900 1.00 30.32 C ATOM 230 NE ARG A 721 -5.229 8.446 13.952 1.00 15.21 N ATOM 231 CZ ARG A 721 -6.420 8.865 14.374 1.00 70.34 C ATOM 232 NH1 ARG A 721 -7.005 9.896 13.774 1.00 44.30 N ATOM 233 NH2 ARG A 721 -7.037 8.241 15.370 1.00 63.54 N ATOM 0 H ARG A 721 -0.603 8.686 11.618 1.00 70.24 H new ATOM 0 HA ARG A 721 -0.546 6.739 13.672 1.00 44.05 H new ATOM 0 HB2 ARG A 721 -2.700 7.507 14.230 1.00 14.31 H new ATOM 0 HB3 ARG A 721 -1.833 8.912 13.642 1.00 14.31 H new ATOM 0 HG2 ARG A 721 -2.950 8.690 11.443 1.00 41.30 H new ATOM 0 HG3 ARG A 721 -3.808 7.274 12.017 1.00 41.30 H new ATOM 0 HD2 ARG A 721 -4.015 10.022 13.300 1.00 30.32 H new ATOM 0 HD3 ARG A 721 -5.137 9.414 12.098 1.00 30.32 H new ATOM 0 HE ARG A 721 -4.829 7.614 14.387 1.00 15.21 H new ATOM 0 HH11 ARG A 721 -6.542 10.362 12.994 1.00 44.30 H new ATOM 0 HH12 ARG A 721 -7.918 10.221 14.093 1.00 44.30 H new ATOM 0 HH21 ARG A 721 -6.599 7.436 15.817 1.00 63.54 H new ATOM 0 HH22 ARG A 721 -7.949 8.567 15.689 1.00 63.54 H new ATOM 247 N TYR A 722 -1.883 5.872 10.823 1.00 42.13 N ATOM 248 CA TYR A 722 -2.375 4.733 10.067 1.00 21.34 C ATOM 249 C TYR A 722 -1.304 3.662 9.944 1.00 21.53 C ATOM 250 O TYR A 722 -1.615 2.479 9.885 1.00 30.12 O ATOM 251 CB TYR A 722 -2.875 5.163 8.692 1.00 44.34 C ATOM 252 CG TYR A 722 -4.172 5.925 8.766 1.00 44.15 C ATOM 253 CD1 TYR A 722 -5.323 5.311 9.240 1.00 41.43 C ATOM 254 CD2 TYR A 722 -4.247 7.251 8.378 1.00 3.25 C ATOM 255 CE1 TYR A 722 -6.511 6.001 9.331 1.00 4.24 C ATOM 256 CE2 TYR A 722 -5.434 7.950 8.460 1.00 51.02 C ATOM 257 CZ TYR A 722 -6.564 7.321 8.940 1.00 52.14 C ATOM 258 OH TYR A 722 -7.746 8.014 9.043 1.00 33.30 O ATOM 0 H TYR A 722 -1.673 6.696 10.260 1.00 42.13 H new ATOM 0 HA TYR A 722 -3.218 4.308 10.612 1.00 21.34 H new ATOM 0 HB2 TYR A 722 -2.119 5.784 8.211 1.00 44.34 H new ATOM 0 HB3 TYR A 722 -3.010 4.281 8.065 1.00 44.34 H new ATOM 0 HD1 TYR A 722 -5.286 4.275 9.542 1.00 41.43 H new ATOM 0 HD2 TYR A 722 -3.363 7.747 8.005 1.00 3.25 H new ATOM 0 HE1 TYR A 722 -7.397 5.510 9.707 1.00 4.24 H new ATOM 0 HE2 TYR A 722 -5.478 8.984 8.150 1.00 51.02 H new ATOM 0 HH TYR A 722 -8.179 8.055 8.165 1.00 33.30 H new ATOM 268 N LEU A 723 -0.043 4.072 9.930 1.00 5.14 N ATOM 269 CA LEU A 723 1.061 3.119 9.955 1.00 35.23 C ATOM 270 C LEU A 723 0.998 2.286 11.229 1.00 23.41 C ATOM 271 O LEU A 723 1.460 1.146 11.270 1.00 72.25 O ATOM 272 CB LEU A 723 2.406 3.842 9.877 1.00 61.55 C ATOM 273 CG LEU A 723 2.690 4.554 8.556 1.00 61.10 C ATOM 274 CD1 LEU A 723 4.023 5.279 8.624 1.00 54.21 C ATOM 275 CD2 LEU A 723 2.682 3.562 7.406 1.00 22.10 C ATOM 0 H LEU A 723 0.241 5.051 9.902 1.00 5.14 H new ATOM 0 HA LEU A 723 0.969 2.465 9.088 1.00 35.23 H new ATOM 0 HB2 LEU A 723 2.453 4.575 10.683 1.00 61.55 H new ATOM 0 HB3 LEU A 723 3.200 3.118 10.058 1.00 61.55 H new ATOM 0 HG LEU A 723 1.904 5.289 8.381 1.00 61.10 H new ATOM 0 HD11 LEU A 723 4.212 5.782 7.676 1.00 54.21 H new ATOM 0 HD12 LEU A 723 3.996 6.016 9.427 1.00 54.21 H new ATOM 0 HD13 LEU A 723 4.819 4.560 8.819 1.00 54.21 H new ATOM 0 HD21 LEU A 723 2.886 4.086 6.472 1.00 22.10 H new ATOM 0 HD22 LEU A 723 3.449 2.806 7.573 1.00 22.10 H new ATOM 0 HD23 LEU A 723 1.705 3.082 7.347 1.00 22.10 H new ATOM 287 N ASN A 724 0.420 2.875 12.268 1.00 54.32 N ATOM 288 CA ASN A 724 0.223 2.180 13.535 1.00 23.12 C ATOM 289 C ASN A 724 -1.088 1.390 13.524 1.00 74.30 C ATOM 290 O ASN A 724 -1.136 0.237 13.950 1.00 63.32 O ATOM 291 CB ASN A 724 0.210 3.172 14.707 1.00 44.14 C ATOM 292 CG ASN A 724 1.566 3.807 14.994 1.00 71.15 C ATOM 293 OD1 ASN A 724 2.387 3.977 13.970 1.00 71.43 O flip ATOM 294 ND2 ASN A 724 1.867 4.149 16.138 1.00 0.11 N flip ATOM 0 H ASN A 724 0.078 3.836 12.258 1.00 54.32 H new ATOM 0 HA ASN A 724 1.056 1.488 13.663 1.00 23.12 H new ATOM 0 HB2 ASN A 724 -0.512 3.961 14.495 1.00 44.14 H new ATOM 0 HB3 ASN A 724 -0.136 2.656 15.603 1.00 44.14 H new ATOM 0 HD21 ASN A 724 1.209 4.003 16.904 1.00 0.11 H new ATOM 0 HD22 ASN A 724 2.774 4.579 16.320 1.00 0.11 H new ATOM 301 N THR A 725 -2.150 2.019 13.033 1.00 12.03 N ATOM 302 CA THR A 725 -3.475 1.413 13.045 1.00 44.32 C ATOM 303 C THR A 725 -3.744 0.591 11.777 1.00 62.31 C ATOM 304 O THR A 725 -3.677 -0.638 11.804 1.00 60.43 O ATOM 305 CB THR A 725 -4.563 2.493 13.212 1.00 1.52 C ATOM 306 OG1 THR A 725 -4.294 3.265 14.392 1.00 1.54 O ATOM 307 CG2 THR A 725 -5.949 1.870 13.316 1.00 74.00 C ATOM 0 H THR A 725 -2.118 2.951 12.621 1.00 12.03 H new ATOM 0 HA THR A 725 -3.508 0.733 13.896 1.00 44.32 H new ATOM 0 HB THR A 725 -4.544 3.136 12.332 1.00 1.52 H new ATOM 0 HG1 THR A 725 -3.546 3.874 14.221 1.00 1.54 H new ATOM 0 HG21 THR A 725 -6.694 2.657 13.433 1.00 74.00 H new ATOM 0 HG22 THR A 725 -6.161 1.301 12.411 1.00 74.00 H new ATOM 0 HG23 THR A 725 -5.985 1.205 14.179 1.00 74.00 H new ATOM 315 N ASN A 726 -4.033 1.269 10.671 1.00 42.23 N ATOM 316 CA ASN A 726 -4.369 0.597 9.418 1.00 50.40 C ATOM 317 C ASN A 726 -3.824 1.391 8.239 1.00 24.31 C ATOM 318 O ASN A 726 -4.359 2.445 7.890 1.00 3.34 O ATOM 319 CB ASN A 726 -5.889 0.436 9.275 1.00 35.21 C ATOM 320 CG ASN A 726 -6.293 -0.379 8.051 1.00 53.41 C ATOM 321 OD1 ASN A 726 -5.574 -0.450 7.057 1.00 23.55 O ATOM 322 ND2 ASN A 726 -7.465 -0.987 8.107 1.00 34.41 N ATOM 0 H ASN A 726 -4.042 2.287 10.616 1.00 42.23 H new ATOM 0 HA ASN A 726 -3.915 -0.394 9.429 1.00 50.40 H new ATOM 0 HB2 ASN A 726 -6.283 -0.045 10.170 1.00 35.21 H new ATOM 0 HB3 ASN A 726 -6.349 1.423 9.215 1.00 35.21 H new ATOM 0 HD21 ASN A 726 -7.795 -1.533 7.311 1.00 34.41 H new ATOM 0 HD22 ASN A 726 -8.040 -0.910 8.946 1.00 34.41 H new ATOM 329 N PRO A 727 -2.747 0.895 7.619 1.00 73.31 N ATOM 330 CA PRO A 727 -2.108 1.560 6.479 1.00 3.25 C ATOM 331 C PRO A 727 -3.050 1.695 5.287 1.00 60.22 C ATOM 332 O PRO A 727 -3.025 2.699 4.573 1.00 71.24 O ATOM 333 CB PRO A 727 -0.931 0.643 6.132 1.00 63.12 C ATOM 334 CG PRO A 727 -1.256 -0.671 6.758 1.00 51.32 C ATOM 335 CD PRO A 727 -2.060 -0.355 7.984 1.00 52.11 C ATOM 0 HA PRO A 727 -1.807 2.579 6.723 1.00 3.25 H new ATOM 0 HB2 PRO A 727 -0.813 0.546 5.053 1.00 63.12 H new ATOM 0 HB3 PRO A 727 0.006 1.042 6.520 1.00 63.12 H new ATOM 0 HG2 PRO A 727 -1.822 -1.301 6.072 1.00 51.32 H new ATOM 0 HG3 PRO A 727 -0.348 -1.216 7.016 1.00 51.32 H new ATOM 0 HD2 PRO A 727 -2.768 -1.150 8.218 1.00 52.11 H new ATOM 0 HD3 PRO A 727 -1.425 -0.225 8.860 1.00 52.11 H new ATOM 343 N VAL A 728 -3.892 0.687 5.093 1.00 14.40 N ATOM 344 CA VAL A 728 -4.822 0.664 3.973 1.00 3.10 C ATOM 345 C VAL A 728 -5.828 1.801 4.093 1.00 52.32 C ATOM 346 O VAL A 728 -6.080 2.524 3.130 1.00 74.45 O ATOM 347 CB VAL A 728 -5.566 -0.686 3.883 1.00 72.31 C ATOM 348 CG1 VAL A 728 -6.517 -0.708 2.695 1.00 64.42 C ATOM 349 CG2 VAL A 728 -4.575 -1.835 3.795 1.00 62.44 C ATOM 0 H VAL A 728 -3.949 -0.130 5.702 1.00 14.40 H new ATOM 0 HA VAL A 728 -4.240 0.793 3.060 1.00 3.10 H new ATOM 0 HB VAL A 728 -6.158 -0.807 4.790 1.00 72.31 H new ATOM 0 HG11 VAL A 728 -7.028 -1.670 2.656 1.00 64.42 H new ATOM 0 HG12 VAL A 728 -7.253 0.089 2.803 1.00 64.42 H new ATOM 0 HG13 VAL A 728 -5.953 -0.559 1.774 1.00 64.42 H new ATOM 0 HG21 VAL A 728 -5.117 -2.779 3.732 1.00 62.44 H new ATOM 0 HG22 VAL A 728 -3.954 -1.713 2.907 1.00 62.44 H new ATOM 0 HG23 VAL A 728 -3.942 -1.838 4.682 1.00 62.44 H new ATOM 359 N GLY A 729 -6.369 1.974 5.294 1.00 62.54 N ATOM 360 CA GLY A 729 -7.345 3.019 5.528 1.00 2.45 C ATOM 361 C GLY A 729 -6.779 4.402 5.280 1.00 4.11 C ATOM 362 O GLY A 729 -7.485 5.296 4.810 1.00 54.12 O ATOM 0 H GLY A 729 -6.147 1.406 6.112 1.00 62.54 H new ATOM 0 HA2 GLY A 729 -8.206 2.860 4.879 1.00 2.45 H new ATOM 0 HA3 GLY A 729 -7.703 2.955 6.555 1.00 2.45 H new ATOM 366 N GLY A 730 -5.502 4.576 5.591 1.00 51.41 N ATOM 367 CA GLY A 730 -4.856 5.855 5.383 1.00 44.24 C ATOM 368 C GLY A 730 -4.556 6.123 3.926 1.00 23.04 C ATOM 369 O GLY A 730 -4.745 7.237 3.443 1.00 54.34 O ATOM 0 H GLY A 730 -4.901 3.852 5.985 1.00 51.41 H new ATOM 0 HA2 GLY A 730 -5.495 6.648 5.771 1.00 44.24 H new ATOM 0 HA3 GLY A 730 -3.928 5.886 5.953 1.00 44.24 H new ATOM 373 N LEU A 731 -4.095 5.098 3.222 1.00 75.14 N ATOM 374 CA LEU A 731 -3.772 5.225 1.806 1.00 4.10 C ATOM 375 C LEU A 731 -5.034 5.564 1.014 1.00 54.23 C ATOM 376 O LEU A 731 -5.009 6.404 0.109 1.00 24.25 O ATOM 377 CB LEU A 731 -3.121 3.920 1.305 1.00 53.02 C ATOM 378 CG LEU A 731 -2.487 3.958 -0.098 1.00 53.44 C ATOM 379 CD1 LEU A 731 -3.534 3.774 -1.183 1.00 32.54 C ATOM 380 CD2 LEU A 731 -1.727 5.260 -0.312 1.00 53.02 C ATOM 0 H LEU A 731 -3.936 4.168 3.608 1.00 75.14 H new ATOM 0 HA LEU A 731 -3.059 6.036 1.660 1.00 4.10 H new ATOM 0 HB2 LEU A 731 -2.351 3.628 2.019 1.00 53.02 H new ATOM 0 HB3 LEU A 731 -3.878 3.136 1.315 1.00 53.02 H new ATOM 0 HG LEU A 731 -1.783 3.128 -0.164 1.00 53.44 H new ATOM 0 HD11 LEU A 731 -3.054 3.806 -2.161 1.00 32.54 H new ATOM 0 HD12 LEU A 731 -4.028 2.811 -1.052 1.00 32.54 H new ATOM 0 HD13 LEU A 731 -4.272 4.573 -1.115 1.00 32.54 H new ATOM 0 HD21 LEU A 731 -1.287 5.265 -1.309 1.00 53.02 H new ATOM 0 HD22 LEU A 731 -2.412 6.102 -0.213 1.00 53.02 H new ATOM 0 HD23 LEU A 731 -0.936 5.346 0.433 1.00 53.02 H new ATOM 392 N LEU A 732 -6.139 4.930 1.381 1.00 0.54 N ATOM 393 CA LEU A 732 -7.414 5.158 0.714 1.00 71.53 C ATOM 394 C LEU A 732 -7.893 6.595 0.910 1.00 74.25 C ATOM 395 O LEU A 732 -8.306 7.254 -0.047 1.00 10.14 O ATOM 396 CB LEU A 732 -8.467 4.176 1.232 1.00 35.32 C ATOM 397 CG LEU A 732 -8.178 2.702 0.938 1.00 22.12 C ATOM 398 CD1 LEU A 732 -9.193 1.809 1.631 1.00 43.15 C ATOM 399 CD2 LEU A 732 -8.183 2.446 -0.562 1.00 14.21 C ATOM 0 H LEU A 732 -6.178 4.250 2.141 1.00 0.54 H new ATOM 0 HA LEU A 732 -7.268 4.993 -0.354 1.00 71.53 H new ATOM 0 HB2 LEU A 732 -8.562 4.304 2.310 1.00 35.32 H new ATOM 0 HB3 LEU A 732 -9.431 4.436 0.794 1.00 35.32 H new ATOM 0 HG LEU A 732 -7.188 2.464 1.326 1.00 22.12 H new ATOM 0 HD11 LEU A 732 -8.970 0.765 1.410 1.00 43.15 H new ATOM 0 HD12 LEU A 732 -9.144 1.970 2.708 1.00 43.15 H new ATOM 0 HD13 LEU A 732 -10.194 2.050 1.273 1.00 43.15 H new ATOM 0 HD21 LEU A 732 -7.976 1.393 -0.752 1.00 14.21 H new ATOM 0 HD22 LEU A 732 -9.160 2.703 -0.972 1.00 14.21 H new ATOM 0 HD23 LEU A 732 -7.417 3.058 -1.038 1.00 14.21 H new ATOM 411 N GLU A 733 -7.827 7.090 2.145 1.00 20.23 N ATOM 412 CA GLU A 733 -8.314 8.434 2.428 1.00 43.43 C ATOM 413 C GLU A 733 -7.353 9.489 1.886 1.00 2.33 C ATOM 414 O GLU A 733 -7.777 10.577 1.494 1.00 12.44 O ATOM 415 CB GLU A 733 -8.556 8.657 3.921 1.00 35.02 C ATOM 416 CG GLU A 733 -7.301 8.705 4.767 1.00 33.40 C ATOM 417 CD GLU A 733 -7.549 9.398 6.084 1.00 0.52 C ATOM 418 OE1 GLU A 733 -8.487 8.996 6.804 1.00 72.34 O ATOM 419 OE2 GLU A 733 -6.834 10.370 6.394 1.00 31.24 O ATOM 0 H GLU A 733 -7.449 6.590 2.950 1.00 20.23 H new ATOM 0 HA GLU A 733 -9.273 8.536 1.919 1.00 43.43 H new ATOM 0 HB2 GLU A 733 -9.101 9.592 4.051 1.00 35.02 H new ATOM 0 HB3 GLU A 733 -9.198 7.859 4.294 1.00 35.02 H new ATOM 0 HG2 GLU A 733 -6.945 7.691 4.949 1.00 33.40 H new ATOM 0 HG3 GLU A 733 -6.514 9.226 4.223 1.00 33.40 H new ATOM 426 N TYR A 734 -6.063 9.168 1.864 1.00 11.15 N ATOM 427 CA TYR A 734 -5.073 10.053 1.277 1.00 50.50 C ATOM 428 C TYR A 734 -5.425 10.340 -0.174 1.00 40.02 C ATOM 429 O TYR A 734 -5.444 11.492 -0.603 1.00 61.44 O ATOM 430 CB TYR A 734 -3.672 9.436 1.370 1.00 14.24 C ATOM 431 CG TYR A 734 -2.699 9.986 0.349 1.00 22.21 C ATOM 432 CD1 TYR A 734 -2.024 11.182 0.562 1.00 52.55 C ATOM 433 CD2 TYR A 734 -2.470 9.304 -0.840 1.00 22.35 C ATOM 434 CE1 TYR A 734 -1.146 11.679 -0.384 1.00 61.12 C ATOM 435 CE2 TYR A 734 -1.599 9.796 -1.789 1.00 54.34 C ATOM 436 CZ TYR A 734 -0.939 10.983 -1.557 1.00 61.23 C ATOM 437 OH TYR A 734 -0.072 11.479 -2.501 1.00 71.31 O ATOM 0 H TYR A 734 -5.683 8.302 2.246 1.00 11.15 H new ATOM 0 HA TYR A 734 -5.073 10.990 1.834 1.00 50.50 H new ATOM 0 HB2 TYR A 734 -3.273 9.609 2.370 1.00 14.24 H new ATOM 0 HB3 TYR A 734 -3.750 8.357 1.241 1.00 14.24 H new ATOM 0 HD1 TYR A 734 -2.187 11.730 1.478 1.00 52.55 H new ATOM 0 HD2 TYR A 734 -2.983 8.372 -1.024 1.00 22.35 H new ATOM 0 HE1 TYR A 734 -0.625 12.608 -0.205 1.00 61.12 H new ATOM 0 HE2 TYR A 734 -1.435 9.254 -2.709 1.00 54.34 H new ATOM 0 HH TYR A 734 -0.581 11.918 -3.214 1.00 71.31 H new ATOM 447 N ALA A 735 -5.717 9.285 -0.920 1.00 13.45 N ATOM 448 CA ALA A 735 -6.023 9.419 -2.330 1.00 64.33 C ATOM 449 C ALA A 735 -7.308 10.207 -2.527 1.00 4.24 C ATOM 450 O ALA A 735 -7.333 11.195 -3.257 1.00 11.30 O ATOM 451 CB ALA A 735 -6.127 8.050 -2.980 1.00 43.33 C ATOM 0 H ALA A 735 -5.748 8.328 -0.569 1.00 13.45 H new ATOM 0 HA ALA A 735 -5.212 9.968 -2.810 1.00 64.33 H new ATOM 0 HB1 ALA A 735 -6.357 8.167 -4.039 1.00 43.33 H new ATOM 0 HB2 ALA A 735 -5.180 7.522 -2.871 1.00 43.33 H new ATOM 0 HB3 ALA A 735 -6.919 7.477 -2.497 1.00 43.33 H new ATOM 457 N ARG A 736 -8.355 9.788 -1.829 1.00 60.23 N ATOM 458 CA ARG A 736 -9.684 10.366 -2.006 1.00 71.42 C ATOM 459 C ARG A 736 -9.699 11.852 -1.658 1.00 22.53 C ATOM 460 O ARG A 736 -10.412 12.639 -2.279 1.00 54.34 O ATOM 461 CB ARG A 736 -10.700 9.605 -1.146 1.00 21.32 C ATOM 462 CG ARG A 736 -10.663 9.959 0.333 1.00 4.53 C ATOM 463 CD ARG A 736 -11.623 9.107 1.142 1.00 11.32 C ATOM 464 NE ARG A 736 -13.021 9.356 0.793 1.00 54.44 N ATOM 465 CZ ARG A 736 -14.052 8.915 1.509 1.00 30.04 C ATOM 466 NH1 ARG A 736 -13.846 8.150 2.574 1.00 55.31 N ATOM 467 NH2 ARG A 736 -15.293 9.236 1.158 1.00 32.12 N ATOM 0 H ARG A 736 -8.311 9.046 -1.131 1.00 60.23 H new ATOM 0 HA ARG A 736 -9.959 10.272 -3.057 1.00 71.42 H new ATOM 0 HB2 ARG A 736 -11.701 9.802 -1.529 1.00 21.32 H new ATOM 0 HB3 ARG A 736 -10.521 8.535 -1.256 1.00 21.32 H new ATOM 0 HG2 ARG A 736 -9.650 9.826 0.713 1.00 4.53 H new ATOM 0 HG3 ARG A 736 -10.915 11.012 0.461 1.00 4.53 H new ATOM 0 HD2 ARG A 736 -11.393 8.054 0.981 1.00 11.32 H new ATOM 0 HD3 ARG A 736 -11.475 9.307 2.203 1.00 11.32 H new ATOM 0 HE ARG A 736 -13.217 9.899 -0.048 1.00 54.44 H new ATOM 0 HH11 ARG A 736 -12.895 7.899 2.845 1.00 55.31 H new ATOM 0 HH12 ARG A 736 -14.638 7.813 3.121 1.00 55.31 H new ATOM 0 HH21 ARG A 736 -15.456 9.821 0.339 1.00 32.12 H new ATOM 0 HH22 ARG A 736 -16.082 8.897 1.708 1.00 32.12 H new ATOM 481 N SER A 737 -8.910 12.223 -0.667 1.00 3.04 N ATOM 482 CA SER A 737 -8.835 13.606 -0.229 1.00 43.52 C ATOM 483 C SER A 737 -7.983 14.439 -1.183 1.00 33.41 C ATOM 484 O SER A 737 -8.297 15.595 -1.464 1.00 71.13 O ATOM 485 CB SER A 737 -8.256 13.674 1.187 1.00 45.23 C ATOM 486 OG SER A 737 -8.174 15.011 1.651 1.00 74.15 O ATOM 0 H SER A 737 -8.309 11.583 -0.147 1.00 3.04 H new ATOM 0 HA SER A 737 -9.844 14.019 -0.227 1.00 43.52 H new ATOM 0 HB2 SER A 737 -8.879 13.090 1.864 1.00 45.23 H new ATOM 0 HB3 SER A 737 -7.264 13.223 1.198 1.00 45.23 H new ATOM 0 HG SER A 737 -7.802 15.020 2.558 1.00 74.15 H new ATOM 492 N HIS A 738 -6.918 13.839 -1.699 1.00 30.33 N ATOM 493 CA HIS A 738 -5.933 14.580 -2.480 1.00 21.32 C ATOM 494 C HIS A 738 -6.253 14.564 -3.973 1.00 64.11 C ATOM 495 O HIS A 738 -5.538 15.173 -4.769 1.00 72.13 O ATOM 496 CB HIS A 738 -4.529 14.022 -2.238 1.00 45.43 C ATOM 497 CG HIS A 738 -3.978 14.327 -0.870 1.00 2.44 C ATOM 498 ND1 HIS A 738 -2.681 14.736 -0.653 1.00 45.11 N ATOM 499 CD2 HIS A 738 -4.552 14.254 0.355 1.00 4.51 C ATOM 500 CE1 HIS A 738 -2.481 14.898 0.641 1.00 33.33 C ATOM 501 NE2 HIS A 738 -3.600 14.612 1.277 1.00 33.24 N ATOM 0 H HIS A 738 -6.714 12.845 -1.592 1.00 30.33 H new ATOM 0 HA HIS A 738 -5.972 15.617 -2.146 1.00 21.32 H new ATOM 0 HB2 HIS A 738 -4.549 12.941 -2.378 1.00 45.43 H new ATOM 0 HB3 HIS A 738 -3.853 14.428 -2.990 1.00 45.43 H new ATOM 0 HD2 HIS A 738 -5.571 13.967 0.567 1.00 4.51 H new ATOM 0 HE1 HIS A 738 -1.556 15.212 1.102 1.00 33.33 H new ATOM 0 HE2 HIS A 738 -3.736 14.650 2.287 1.00 33.24 H new ATOM 510 N GLY A 739 -7.312 13.862 -4.355 1.00 54.34 N ATOM 511 CA GLY A 739 -7.729 13.856 -5.749 1.00 25.04 C ATOM 512 C GLY A 739 -7.168 12.679 -6.523 1.00 34.34 C ATOM 513 O GLY A 739 -7.295 12.609 -7.745 1.00 0.41 O ATOM 0 H GLY A 739 -7.889 13.299 -3.730 1.00 54.34 H new ATOM 0 HA2 GLY A 739 -8.818 13.832 -5.798 1.00 25.04 H new ATOM 0 HA3 GLY A 739 -7.409 14.783 -6.224 1.00 25.04 H new ATOM 517 N PHE A 740 -6.536 11.759 -5.814 1.00 3.42 N ATOM 518 CA PHE A 740 -6.007 10.552 -6.431 1.00 23.25 C ATOM 519 C PHE A 740 -7.023 9.420 -6.348 1.00 10.13 C ATOM 520 O PHE A 740 -8.104 9.577 -5.777 1.00 54.12 O ATOM 521 CB PHE A 740 -4.705 10.118 -5.748 1.00 4.33 C ATOM 522 CG PHE A 740 -3.574 11.093 -5.897 1.00 51.53 C ATOM 523 CD1 PHE A 740 -2.763 11.062 -7.018 1.00 41.02 C ATOM 524 CD2 PHE A 740 -3.319 12.033 -4.915 1.00 4.10 C ATOM 525 CE1 PHE A 740 -1.717 11.953 -7.156 1.00 22.03 C ATOM 526 CE2 PHE A 740 -2.273 12.926 -5.046 1.00 14.33 C ATOM 527 CZ PHE A 740 -1.471 12.886 -6.169 1.00 4.12 C ATOM 0 H PHE A 740 -6.376 11.824 -4.809 1.00 3.42 H new ATOM 0 HA PHE A 740 -5.802 10.775 -7.478 1.00 23.25 H new ATOM 0 HB2 PHE A 740 -4.899 9.964 -4.686 1.00 4.33 H new ATOM 0 HB3 PHE A 740 -4.396 9.156 -6.158 1.00 4.33 H new ATOM 0 HD1 PHE A 740 -2.950 10.333 -7.793 1.00 41.02 H new ATOM 0 HD2 PHE A 740 -3.945 12.069 -4.036 1.00 4.10 H new ATOM 0 HE1 PHE A 740 -1.092 11.920 -8.036 1.00 22.03 H new ATOM 0 HE2 PHE A 740 -2.083 13.654 -4.271 1.00 14.33 H new ATOM 0 HZ PHE A 740 -0.653 13.583 -6.275 1.00 4.12 H new ATOM 537 N ALA A 741 -6.667 8.282 -6.919 1.00 41.32 N ATOM 538 CA ALA A 741 -7.492 7.088 -6.843 1.00 4.55 C ATOM 539 C ALA A 741 -6.643 5.912 -6.389 1.00 62.20 C ATOM 540 O ALA A 741 -5.616 5.626 -6.994 1.00 34.12 O ATOM 541 CB ALA A 741 -8.131 6.796 -8.194 1.00 12.10 C ATOM 0 H ALA A 741 -5.802 8.159 -7.446 1.00 41.32 H new ATOM 0 HA ALA A 741 -8.290 7.251 -6.119 1.00 4.55 H new ATOM 0 HB1 ALA A 741 -8.745 5.899 -8.120 1.00 12.10 H new ATOM 0 HB2 ALA A 741 -8.755 7.639 -8.491 1.00 12.10 H new ATOM 0 HB3 ALA A 741 -7.351 6.641 -8.939 1.00 12.10 H new ATOM 547 N ALA A 742 -7.056 5.254 -5.319 1.00 52.14 N ATOM 548 CA ALA A 742 -6.284 4.158 -4.750 1.00 11.40 C ATOM 549 C ALA A 742 -6.753 2.814 -5.295 1.00 51.41 C ATOM 550 O ALA A 742 -7.892 2.403 -5.065 1.00 51.22 O ATOM 551 CB ALA A 742 -6.382 4.183 -3.234 1.00 54.22 C ATOM 0 H ALA A 742 -7.924 5.459 -4.824 1.00 52.14 H new ATOM 0 HA ALA A 742 -5.241 4.288 -5.038 1.00 11.40 H new ATOM 0 HB1 ALA A 742 -5.801 3.360 -2.818 1.00 54.22 H new ATOM 0 HB2 ALA A 742 -5.990 5.129 -2.860 1.00 54.22 H new ATOM 0 HB3 ALA A 742 -7.425 4.079 -2.935 1.00 54.22 H new ATOM 557 N GLU A 743 -5.870 2.140 -6.020 1.00 2.24 N ATOM 558 CA GLU A 743 -6.192 0.850 -6.619 1.00 33.41 C ATOM 559 C GLU A 743 -5.149 -0.203 -6.248 1.00 2.45 C ATOM 560 O GLU A 743 -3.953 -0.012 -6.460 1.00 72.21 O ATOM 561 CB GLU A 743 -6.286 0.984 -8.142 1.00 15.31 C ATOM 562 CG GLU A 743 -7.427 1.876 -8.603 1.00 74.03 C ATOM 563 CD GLU A 743 -7.428 2.102 -10.102 1.00 14.21 C ATOM 564 OE1 GLU A 743 -7.889 1.207 -10.846 1.00 12.55 O ATOM 565 OE2 GLU A 743 -6.968 3.174 -10.551 1.00 11.23 O ATOM 0 H GLU A 743 -4.922 2.466 -6.208 1.00 2.24 H new ATOM 0 HA GLU A 743 -7.157 0.526 -6.229 1.00 33.41 H new ATOM 0 HB2 GLU A 743 -5.346 1.384 -8.522 1.00 15.31 H new ATOM 0 HB3 GLU A 743 -6.411 -0.007 -8.579 1.00 15.31 H new ATOM 0 HG2 GLU A 743 -8.375 1.427 -8.307 1.00 74.03 H new ATOM 0 HG3 GLU A 743 -7.358 2.838 -8.095 1.00 74.03 H new ATOM 572 N PHE A 744 -5.612 -1.310 -5.688 1.00 74.41 N ATOM 573 CA PHE A 744 -4.730 -2.409 -5.298 1.00 43.24 C ATOM 574 C PHE A 744 -4.860 -3.566 -6.276 1.00 3.24 C ATOM 575 O PHE A 744 -5.936 -4.154 -6.406 1.00 32.22 O ATOM 576 CB PHE A 744 -5.067 -2.902 -3.888 1.00 74.13 C ATOM 577 CG PHE A 744 -4.751 -1.921 -2.794 1.00 24.13 C ATOM 578 CD1 PHE A 744 -3.499 -1.909 -2.200 1.00 15.04 C ATOM 579 CD2 PHE A 744 -5.709 -1.025 -2.350 1.00 52.21 C ATOM 580 CE1 PHE A 744 -3.208 -1.021 -1.184 1.00 75.33 C ATOM 581 CE2 PHE A 744 -5.423 -0.133 -1.334 1.00 24.35 C ATOM 582 CZ PHE A 744 -4.172 -0.130 -0.749 1.00 33.24 C ATOM 0 H PHE A 744 -6.599 -1.475 -5.491 1.00 74.41 H new ATOM 0 HA PHE A 744 -3.706 -2.036 -5.310 1.00 43.24 H new ATOM 0 HB2 PHE A 744 -6.129 -3.145 -3.846 1.00 74.13 H new ATOM 0 HB3 PHE A 744 -4.521 -3.826 -3.699 1.00 74.13 H new ATOM 0 HD1 PHE A 744 -2.742 -2.602 -2.536 1.00 15.04 H new ATOM 0 HD2 PHE A 744 -6.690 -1.023 -2.802 1.00 52.21 H new ATOM 0 HE1 PHE A 744 -2.228 -1.022 -0.729 1.00 75.33 H new ATOM 0 HE2 PHE A 744 -6.178 0.562 -0.997 1.00 24.35 H new ATOM 0 HZ PHE A 744 -3.947 0.566 0.046 1.00 33.24 H new ATOM 592 N LYS A 745 -3.775 -3.893 -6.964 1.00 1.31 N ATOM 593 CA LYS A 745 -3.792 -5.003 -7.901 1.00 2.32 C ATOM 594 C LYS A 745 -2.566 -5.892 -7.730 1.00 62.24 C ATOM 595 O LYS A 745 -1.497 -5.434 -7.315 1.00 41.10 O ATOM 596 CB LYS A 745 -3.865 -4.510 -9.349 1.00 2.42 C ATOM 597 CG LYS A 745 -2.656 -3.696 -9.789 1.00 40.41 C ATOM 598 CD LYS A 745 -2.521 -3.672 -11.305 1.00 50.54 C ATOM 599 CE LYS A 745 -3.722 -3.026 -11.976 1.00 23.10 C ATOM 600 NZ LYS A 745 -3.648 -3.127 -13.457 1.00 53.44 N ATOM 0 H LYS A 745 -2.880 -3.409 -6.891 1.00 1.31 H new ATOM 0 HA LYS A 745 -4.686 -5.588 -7.682 1.00 2.32 H new ATOM 0 HB2 LYS A 745 -3.971 -5.370 -10.010 1.00 2.42 H new ATOM 0 HB3 LYS A 745 -4.762 -3.903 -9.470 1.00 2.42 H new ATOM 0 HG2 LYS A 745 -2.747 -2.676 -9.415 1.00 40.41 H new ATOM 0 HG3 LYS A 745 -1.752 -4.118 -9.349 1.00 40.41 H new ATOM 0 HD2 LYS A 745 -1.617 -3.128 -11.579 1.00 50.54 H new ATOM 0 HD3 LYS A 745 -2.405 -4.691 -11.674 1.00 50.54 H new ATOM 0 HE2 LYS A 745 -4.636 -3.505 -11.624 1.00 23.10 H new ATOM 0 HE3 LYS A 745 -3.780 -1.977 -11.686 1.00 23.10 H new ATOM 0 HZ1 LYS A 745 -4.485 -2.675 -13.878 1.00 53.44 H new ATOM 0 HZ2 LYS A 745 -2.789 -2.648 -13.795 1.00 53.44 H new ATOM 0 HZ3 LYS A 745 -3.619 -4.129 -13.736 1.00 53.44 H new ATOM 614 N LEU A 746 -2.747 -7.164 -8.039 1.00 72.34 N ATOM 615 CA LEU A 746 -1.655 -8.119 -8.070 1.00 4.03 C ATOM 616 C LEU A 746 -1.005 -8.050 -9.449 1.00 53.31 C ATOM 617 O LEU A 746 -1.618 -8.421 -10.449 1.00 14.12 O ATOM 618 CB LEU A 746 -2.203 -9.529 -7.790 1.00 61.12 C ATOM 619 CG LEU A 746 -1.189 -10.583 -7.322 1.00 62.23 C ATOM 620 CD1 LEU A 746 -1.919 -11.835 -6.861 1.00 4.01 C ATOM 621 CD2 LEU A 746 -0.208 -10.938 -8.428 1.00 1.14 C ATOM 0 H LEU A 746 -3.655 -7.563 -8.275 1.00 72.34 H new ATOM 0 HA LEU A 746 -0.911 -7.887 -7.308 1.00 4.03 H new ATOM 0 HB2 LEU A 746 -2.982 -9.447 -7.032 1.00 61.12 H new ATOM 0 HB3 LEU A 746 -2.680 -9.896 -8.699 1.00 61.12 H new ATOM 0 HG LEU A 746 -0.624 -10.161 -6.491 1.00 62.23 H new ATOM 0 HD11 LEU A 746 -1.193 -12.578 -6.530 1.00 4.01 H new ATOM 0 HD12 LEU A 746 -2.584 -11.585 -6.035 1.00 4.01 H new ATOM 0 HD13 LEU A 746 -2.503 -12.241 -7.687 1.00 4.01 H new ATOM 0 HD21 LEU A 746 0.496 -11.686 -8.064 1.00 1.14 H new ATOM 0 HD22 LEU A 746 -0.753 -11.338 -9.283 1.00 1.14 H new ATOM 0 HD23 LEU A 746 0.337 -10.044 -8.731 1.00 1.14 H new ATOM 633 N VAL A 747 0.221 -7.553 -9.503 1.00 70.14 N ATOM 634 CA VAL A 747 0.895 -7.330 -10.776 1.00 63.33 C ATOM 635 C VAL A 747 1.541 -8.612 -11.288 1.00 15.10 C ATOM 636 O VAL A 747 1.404 -8.965 -12.461 1.00 11.24 O ATOM 637 CB VAL A 747 1.964 -6.223 -10.659 1.00 35.01 C ATOM 638 CG1 VAL A 747 2.651 -5.981 -11.997 1.00 2.35 C ATOM 639 CG2 VAL A 747 1.342 -4.939 -10.139 1.00 44.10 C ATOM 0 H VAL A 747 0.770 -7.296 -8.683 1.00 70.14 H new ATOM 0 HA VAL A 747 0.135 -7.008 -11.488 1.00 63.33 H new ATOM 0 HB VAL A 747 2.720 -6.556 -9.949 1.00 35.01 H new ATOM 0 HG11 VAL A 747 3.399 -5.196 -11.885 1.00 2.35 H new ATOM 0 HG12 VAL A 747 3.135 -6.899 -12.329 1.00 2.35 H new ATOM 0 HG13 VAL A 747 1.911 -5.674 -12.736 1.00 2.35 H new ATOM 0 HG21 VAL A 747 2.109 -4.168 -10.062 1.00 44.10 H new ATOM 0 HG22 VAL A 747 0.563 -4.608 -10.825 1.00 44.10 H new ATOM 0 HG23 VAL A 747 0.907 -5.118 -9.155 1.00 44.10 H new ATOM 649 N ASP A 748 2.240 -9.311 -10.408 1.00 11.44 N ATOM 650 CA ASP A 748 2.937 -10.532 -10.795 1.00 45.21 C ATOM 651 C ASP A 748 3.058 -11.472 -9.606 1.00 1.42 C ATOM 652 O ASP A 748 3.118 -11.023 -8.469 1.00 20.13 O ATOM 653 CB ASP A 748 4.326 -10.198 -11.346 1.00 22.20 C ATOM 654 CG ASP A 748 5.036 -11.413 -11.906 1.00 15.53 C ATOM 655 OD1 ASP A 748 4.549 -11.979 -12.905 1.00 61.23 O ATOM 656 OD2 ASP A 748 6.090 -11.799 -11.361 1.00 40.53 O ATOM 0 H ASP A 748 2.341 -9.057 -9.425 1.00 11.44 H new ATOM 0 HA ASP A 748 2.360 -11.028 -11.575 1.00 45.21 H new ATOM 0 HB2 ASP A 748 4.232 -9.444 -12.128 1.00 22.20 H new ATOM 0 HB3 ASP A 748 4.932 -9.760 -10.553 1.00 22.20 H new ATOM 661 N GLN A 749 3.075 -12.769 -9.865 1.00 65.34 N ATOM 662 CA GLN A 749 3.198 -13.749 -8.799 1.00 54.22 C ATOM 663 C GLN A 749 4.022 -14.949 -9.254 1.00 11.42 C ATOM 664 O GLN A 749 4.073 -15.264 -10.443 1.00 32.53 O ATOM 665 CB GLN A 749 1.811 -14.180 -8.291 1.00 4.54 C ATOM 666 CG GLN A 749 0.855 -14.688 -9.370 1.00 12.25 C ATOM 667 CD GLN A 749 1.126 -16.114 -9.828 1.00 35.01 C ATOM 668 OE1 GLN A 749 1.573 -16.973 -8.920 1.00 63.12 O flip ATOM 669 NE2 GLN A 749 0.897 -16.452 -10.988 1.00 25.03 N flip ATOM 0 H GLN A 749 3.005 -13.167 -10.802 1.00 65.34 H new ATOM 0 HA GLN A 749 3.726 -13.284 -7.967 1.00 54.22 H new ATOM 0 HB2 GLN A 749 1.942 -14.964 -7.545 1.00 4.54 H new ATOM 0 HB3 GLN A 749 1.347 -13.333 -7.786 1.00 4.54 H new ATOM 0 HG2 GLN A 749 -0.165 -14.628 -8.992 1.00 12.25 H new ATOM 0 HG3 GLN A 749 0.914 -14.025 -10.233 1.00 12.25 H new ATOM 0 HE21 GLN A 749 0.554 -15.766 -11.661 1.00 25.03 H new ATOM 0 HE22 GLN A 749 1.050 -17.418 -11.277 1.00 25.03 H new ATOM 678 N SER A 750 4.659 -15.605 -8.295 1.00 50.01 N ATOM 679 CA SER A 750 5.508 -16.756 -8.559 1.00 42.43 C ATOM 680 C SER A 750 5.974 -17.341 -7.226 1.00 41.22 C ATOM 681 O SER A 750 5.468 -16.956 -6.171 1.00 71.23 O ATOM 682 CB SER A 750 6.711 -16.337 -9.421 1.00 54.43 C ATOM 683 OG SER A 750 7.461 -17.462 -9.862 1.00 23.03 O ATOM 0 H SER A 750 4.601 -15.352 -7.308 1.00 50.01 H new ATOM 0 HA SER A 750 4.948 -17.514 -9.108 1.00 42.43 H new ATOM 0 HB2 SER A 750 6.360 -15.772 -10.285 1.00 54.43 H new ATOM 0 HB3 SER A 750 7.356 -15.672 -8.846 1.00 54.43 H new ATOM 0 HG SER A 750 8.216 -17.158 -10.408 1.00 23.03 H new ATOM 689 N GLY A 751 6.920 -18.266 -7.270 1.00 42.11 N ATOM 690 CA GLY A 751 7.468 -18.817 -6.047 1.00 40.51 C ATOM 691 C GLY A 751 7.019 -20.241 -5.794 1.00 43.31 C ATOM 692 O GLY A 751 6.200 -20.778 -6.543 1.00 2.13 O ATOM 0 H GLY A 751 7.318 -18.645 -8.129 1.00 42.11 H new ATOM 0 HA2 GLY A 751 8.556 -18.787 -6.096 1.00 40.51 H new ATOM 0 HA3 GLY A 751 7.169 -18.191 -5.206 1.00 40.51 H new ATOM 696 N PRO A 752 7.549 -20.879 -4.738 1.00 33.33 N ATOM 697 CA PRO A 752 7.202 -22.258 -4.379 1.00 61.52 C ATOM 698 C PRO A 752 5.767 -22.391 -3.860 1.00 60.03 C ATOM 699 O PRO A 752 5.130 -21.398 -3.508 1.00 34.52 O ATOM 700 CB PRO A 752 8.205 -22.598 -3.272 1.00 31.01 C ATOM 701 CG PRO A 752 8.596 -21.286 -2.687 1.00 60.23 C ATOM 702 CD PRO A 752 8.539 -20.296 -3.814 1.00 72.25 C ATOM 0 HA PRO A 752 7.250 -22.924 -5.240 1.00 61.52 H new ATOM 0 HB2 PRO A 752 7.757 -23.247 -2.520 1.00 31.01 H new ATOM 0 HB3 PRO A 752 9.071 -23.125 -3.673 1.00 31.01 H new ATOM 0 HG2 PRO A 752 7.919 -21.000 -1.882 1.00 60.23 H new ATOM 0 HG3 PRO A 752 9.597 -21.333 -2.259 1.00 60.23 H new ATOM 0 HD2 PRO A 752 8.231 -19.310 -3.466 1.00 72.25 H new ATOM 0 HD3 PRO A 752 9.511 -20.176 -4.292 1.00 72.25 H new ATOM 710 N PRO A 753 5.233 -23.624 -3.806 1.00 3.51 N ATOM 711 CA PRO A 753 3.867 -23.876 -3.322 1.00 52.21 C ATOM 712 C PRO A 753 3.690 -23.522 -1.845 1.00 61.22 C ATOM 713 O PRO A 753 2.623 -23.075 -1.424 1.00 11.12 O ATOM 714 CB PRO A 753 3.679 -25.383 -3.537 1.00 11.45 C ATOM 715 CG PRO A 753 5.058 -25.940 -3.617 1.00 50.44 C ATOM 716 CD PRO A 753 5.902 -24.865 -4.235 1.00 21.23 C ATOM 0 HA PRO A 753 3.136 -23.262 -3.848 1.00 52.21 H new ATOM 0 HB2 PRO A 753 3.120 -25.831 -2.716 1.00 11.45 H new ATOM 0 HB3 PRO A 753 3.119 -25.584 -4.451 1.00 11.45 H new ATOM 0 HG2 PRO A 753 5.429 -26.207 -2.628 1.00 50.44 H new ATOM 0 HG3 PRO A 753 5.078 -26.847 -4.221 1.00 50.44 H new ATOM 0 HD2 PRO A 753 6.933 -24.910 -3.883 1.00 21.23 H new ATOM 0 HD3 PRO A 753 5.933 -24.951 -5.321 1.00 21.23 H new ATOM 724 N HIS A 754 4.744 -23.720 -1.062 1.00 10.45 N ATOM 725 CA HIS A 754 4.695 -23.436 0.367 1.00 33.44 C ATOM 726 C HIS A 754 4.943 -21.954 0.642 1.00 21.11 C ATOM 727 O HIS A 754 4.657 -21.463 1.733 1.00 52.14 O ATOM 728 CB HIS A 754 5.706 -24.306 1.128 1.00 11.23 C ATOM 729 CG HIS A 754 7.126 -24.147 0.672 1.00 13.14 C ATOM 730 ND1 HIS A 754 8.094 -23.324 1.140 1.00 23.42 N flip ATOM 731 CD2 HIS A 754 7.638 -24.901 -0.356 1.00 64.12 C flip ATOM 732 CE1 HIS A 754 9.217 -23.566 0.395 1.00 62.14 C flip ATOM 733 NE2 HIS A 754 8.897 -24.520 -0.489 1.00 73.33 N flip ATOM 0 H HIS A 754 5.641 -24.075 -1.392 1.00 10.45 H new ATOM 0 HA HIS A 754 3.695 -23.681 0.724 1.00 33.44 H new ATOM 0 HB2 HIS A 754 5.649 -24.064 2.189 1.00 11.23 H new ATOM 0 HB3 HIS A 754 5.418 -25.352 1.023 1.00 11.23 H new ATOM 0 HD2 HIS A 754 7.119 -25.650 -0.936 1.00 64.12 H new ATOM 0 HE1 HIS A 754 10.176 -23.081 0.500 1.00 62.14 H new ATOM 0 HE2 HIS A 754 9.543 -24.904 -1.178 1.00 73.33 H new ATOM 741 N GLU A 755 5.465 -21.248 -0.354 1.00 13.33 N ATOM 742 CA GLU A 755 5.701 -19.814 -0.235 1.00 65.50 C ATOM 743 C GLU A 755 5.234 -19.082 -1.490 1.00 75.22 C ATOM 744 O GLU A 755 6.050 -18.663 -2.310 1.00 70.02 O ATOM 745 CB GLU A 755 7.184 -19.516 0.009 1.00 43.45 C ATOM 746 CG GLU A 755 7.664 -19.835 1.413 1.00 4.40 C ATOM 747 CD GLU A 755 9.120 -19.471 1.613 1.00 70.33 C ATOM 748 OE1 GLU A 755 9.462 -18.280 1.460 1.00 4.44 O ATOM 749 OE2 GLU A 755 9.935 -20.372 1.904 1.00 24.34 O ATOM 0 H GLU A 755 5.733 -21.646 -1.254 1.00 13.33 H new ATOM 0 HA GLU A 755 5.127 -19.459 0.621 1.00 65.50 H new ATOM 0 HB2 GLU A 755 7.779 -20.087 -0.704 1.00 43.45 H new ATOM 0 HB3 GLU A 755 7.369 -18.461 -0.194 1.00 43.45 H new ATOM 0 HG2 GLU A 755 7.053 -19.295 2.136 1.00 4.40 H new ATOM 0 HG3 GLU A 755 7.526 -20.898 1.610 1.00 4.40 H new ATOM 756 N PRO A 756 3.913 -18.943 -1.669 1.00 10.33 N ATOM 757 CA PRO A 756 3.356 -18.230 -2.816 1.00 12.12 C ATOM 758 C PRO A 756 3.637 -16.735 -2.729 1.00 50.25 C ATOM 759 O PRO A 756 3.165 -16.053 -1.820 1.00 34.05 O ATOM 760 CB PRO A 756 1.854 -18.512 -2.725 1.00 4.43 C ATOM 761 CG PRO A 756 1.606 -18.822 -1.290 1.00 1.10 C ATOM 762 CD PRO A 756 2.863 -19.465 -0.775 1.00 65.34 C ATOM 0 HA PRO A 756 3.791 -18.554 -3.761 1.00 12.12 H new ATOM 0 HB2 PRO A 756 1.270 -17.650 -3.049 1.00 4.43 H new ATOM 0 HB3 PRO A 756 1.570 -19.348 -3.364 1.00 4.43 H new ATOM 0 HG2 PRO A 756 1.375 -17.915 -0.730 1.00 1.10 H new ATOM 0 HG3 PRO A 756 0.753 -19.491 -1.178 1.00 1.10 H new ATOM 0 HD2 PRO A 756 3.053 -19.198 0.265 1.00 65.34 H new ATOM 0 HD3 PRO A 756 2.804 -20.552 -0.819 1.00 65.34 H new ATOM 770 N LYS A 757 4.429 -16.234 -3.660 1.00 64.01 N ATOM 771 CA LYS A 757 4.835 -14.842 -3.639 1.00 20.54 C ATOM 772 C LYS A 757 4.004 -14.024 -4.616 1.00 32.22 C ATOM 773 O LYS A 757 4.034 -14.257 -5.826 1.00 43.13 O ATOM 774 CB LYS A 757 6.323 -14.730 -3.974 1.00 25.14 C ATOM 775 CG LYS A 757 6.878 -13.318 -3.871 1.00 71.33 C ATOM 776 CD LYS A 757 8.380 -13.291 -4.109 1.00 53.23 C ATOM 777 CE LYS A 757 9.118 -14.153 -3.096 1.00 2.23 C ATOM 778 NZ LYS A 757 10.593 -14.089 -3.269 1.00 60.32 N ATOM 0 H LYS A 757 4.804 -16.772 -4.441 1.00 64.01 H new ATOM 0 HA LYS A 757 4.667 -14.443 -2.638 1.00 20.54 H new ATOM 0 HB2 LYS A 757 6.885 -15.380 -3.303 1.00 25.14 H new ATOM 0 HB3 LYS A 757 6.485 -15.100 -4.986 1.00 25.14 H new ATOM 0 HG2 LYS A 757 6.382 -12.677 -4.599 1.00 71.33 H new ATOM 0 HG3 LYS A 757 6.657 -12.910 -2.885 1.00 71.33 H new ATOM 0 HD2 LYS A 757 8.597 -13.645 -5.117 1.00 53.23 H new ATOM 0 HD3 LYS A 757 8.741 -12.264 -4.047 1.00 53.23 H new ATOM 0 HE2 LYS A 757 8.858 -13.829 -2.088 1.00 2.23 H new ATOM 0 HE3 LYS A 757 8.788 -15.187 -3.193 1.00 2.23 H new ATOM 0 HZ1 LYS A 757 11.053 -14.692 -2.557 1.00 60.32 H new ATOM 0 HZ2 LYS A 757 10.846 -14.423 -4.221 1.00 60.32 H new ATOM 0 HZ3 LYS A 757 10.914 -13.107 -3.150 1.00 60.32 H new ATOM 792 N PHE A 758 3.263 -13.070 -4.077 1.00 10.40 N ATOM 793 CA PHE A 758 2.401 -12.213 -4.872 1.00 42.35 C ATOM 794 C PHE A 758 2.894 -10.774 -4.801 1.00 24.20 C ATOM 795 O PHE A 758 2.992 -10.196 -3.718 1.00 21.35 O ATOM 796 CB PHE A 758 0.959 -12.283 -4.364 1.00 72.45 C ATOM 797 CG PHE A 758 0.427 -13.681 -4.225 1.00 4.10 C ATOM 798 CD1 PHE A 758 -0.004 -14.389 -5.335 1.00 51.04 C ATOM 799 CD2 PHE A 758 0.355 -14.286 -2.982 1.00 63.22 C ATOM 800 CE1 PHE A 758 -0.497 -15.673 -5.207 1.00 11.44 C ATOM 801 CE2 PHE A 758 -0.137 -15.569 -2.848 1.00 13.55 C ATOM 802 CZ PHE A 758 -0.562 -16.263 -3.961 1.00 53.14 C ATOM 0 H PHE A 758 3.242 -12.868 -3.077 1.00 10.40 H new ATOM 0 HA PHE A 758 2.429 -12.558 -5.906 1.00 42.35 H new ATOM 0 HB2 PHE A 758 0.901 -11.785 -3.396 1.00 72.45 H new ATOM 0 HB3 PHE A 758 0.317 -11.727 -5.047 1.00 72.45 H new ATOM 0 HD1 PHE A 758 0.046 -13.932 -6.312 1.00 51.04 H new ATOM 0 HD2 PHE A 758 0.688 -13.748 -2.107 1.00 63.22 H new ATOM 0 HE1 PHE A 758 -0.831 -16.214 -6.080 1.00 11.44 H new ATOM 0 HE2 PHE A 758 -0.189 -16.029 -1.872 1.00 13.55 H new ATOM 0 HZ PHE A 758 -0.945 -17.267 -3.858 1.00 53.14 H new ATOM 812 N VAL A 759 3.211 -10.205 -5.949 1.00 70.20 N ATOM 813 CA VAL A 759 3.684 -8.836 -6.013 1.00 34.34 C ATOM 814 C VAL A 759 2.514 -7.881 -6.195 1.00 33.31 C ATOM 815 O VAL A 759 1.912 -7.810 -7.272 1.00 54.14 O ATOM 816 CB VAL A 759 4.693 -8.633 -7.162 1.00 34.23 C ATOM 817 CG1 VAL A 759 5.296 -7.236 -7.112 1.00 2.51 C ATOM 818 CG2 VAL A 759 5.779 -9.696 -7.110 1.00 3.20 C ATOM 0 H VAL A 759 3.149 -10.673 -6.853 1.00 70.20 H new ATOM 0 HA VAL A 759 4.190 -8.624 -5.071 1.00 34.34 H new ATOM 0 HB VAL A 759 4.161 -8.734 -8.108 1.00 34.23 H new ATOM 0 HG11 VAL A 759 6.004 -7.116 -7.932 1.00 2.51 H new ATOM 0 HG12 VAL A 759 4.503 -6.494 -7.206 1.00 2.51 H new ATOM 0 HG13 VAL A 759 5.813 -7.097 -6.162 1.00 2.51 H new ATOM 0 HG21 VAL A 759 6.482 -9.538 -7.928 1.00 3.20 H new ATOM 0 HG22 VAL A 759 6.307 -9.630 -6.159 1.00 3.20 H new ATOM 0 HG23 VAL A 759 5.327 -10.683 -7.206 1.00 3.20 H new ATOM 828 N TYR A 760 2.182 -7.171 -5.129 1.00 34.35 N ATOM 829 CA TYR A 760 1.107 -6.195 -5.156 1.00 0.42 C ATOM 830 C TYR A 760 1.669 -4.800 -5.324 1.00 61.42 C ATOM 831 O TYR A 760 2.690 -4.456 -4.729 1.00 64.44 O ATOM 832 CB TYR A 760 0.272 -6.266 -3.877 1.00 21.23 C ATOM 833 CG TYR A 760 -0.779 -7.345 -3.906 1.00 71.34 C ATOM 834 CD1 TYR A 760 -0.437 -8.681 -3.745 1.00 71.55 C ATOM 835 CD2 TYR A 760 -2.114 -7.025 -4.104 1.00 22.31 C ATOM 836 CE1 TYR A 760 -1.398 -9.669 -3.783 1.00 61.40 C ATOM 837 CE2 TYR A 760 -3.083 -8.009 -4.141 1.00 65.02 C ATOM 838 CZ TYR A 760 -2.719 -9.330 -3.980 1.00 43.50 C ATOM 839 OH TYR A 760 -3.674 -10.320 -4.021 1.00 15.33 O ATOM 0 H TYR A 760 2.648 -7.255 -4.225 1.00 34.35 H new ATOM 0 HA TYR A 760 0.462 -6.427 -6.004 1.00 0.42 H new ATOM 0 HB2 TYR A 760 0.935 -6.438 -3.029 1.00 21.23 H new ATOM 0 HB3 TYR A 760 -0.212 -5.303 -3.714 1.00 21.23 H new ATOM 0 HD1 TYR A 760 0.597 -8.950 -3.588 1.00 71.55 H new ATOM 0 HD2 TYR A 760 -2.400 -5.991 -4.231 1.00 22.31 H new ATOM 0 HE1 TYR A 760 -1.117 -10.704 -3.659 1.00 61.40 H new ATOM 0 HE2 TYR A 760 -4.119 -7.746 -4.295 1.00 65.02 H new ATOM 0 HH TYR A 760 -3.392 -11.070 -3.457 1.00 15.33 H new ATOM 849 N GLN A 761 1.006 -4.004 -6.136 1.00 12.44 N ATOM 850 CA GLN A 761 1.428 -2.638 -6.358 1.00 33.04 C ATOM 851 C GLN A 761 0.247 -1.702 -6.181 1.00 51.22 C ATOM 852 O GLN A 761 -0.862 -1.985 -6.651 1.00 14.44 O ATOM 853 CB GLN A 761 2.034 -2.488 -7.753 1.00 75.42 C ATOM 854 CG GLN A 761 2.709 -1.148 -7.987 1.00 32.11 C ATOM 855 CD GLN A 761 3.499 -1.120 -9.278 1.00 13.25 C ATOM 856 OE1 GLN A 761 3.146 -1.782 -10.255 1.00 61.42 O ATOM 857 NE2 GLN A 761 4.582 -0.364 -9.289 1.00 33.00 N ATOM 0 H GLN A 761 0.172 -4.280 -6.654 1.00 12.44 H new ATOM 0 HA GLN A 761 2.194 -2.378 -5.627 1.00 33.04 H new ATOM 0 HB2 GLN A 761 2.762 -3.284 -7.910 1.00 75.42 H new ATOM 0 HB3 GLN A 761 1.249 -2.624 -8.497 1.00 75.42 H new ATOM 0 HG2 GLN A 761 1.954 -0.362 -8.009 1.00 32.11 H new ATOM 0 HG3 GLN A 761 3.374 -0.928 -7.152 1.00 32.11 H new ATOM 0 HE21 GLN A 761 4.840 0.169 -8.459 1.00 33.00 H new ATOM 0 HE22 GLN A 761 5.160 -0.313 -10.128 1.00 33.00 H new ATOM 866 N ALA A 762 0.478 -0.605 -5.482 1.00 41.11 N ATOM 867 CA ALA A 762 -0.570 0.361 -5.221 1.00 21.22 C ATOM 868 C ALA A 762 -0.611 1.417 -6.312 1.00 11.21 C ATOM 869 O ALA A 762 0.317 2.210 -6.468 1.00 1.30 O ATOM 870 CB ALA A 762 -0.377 1.004 -3.854 1.00 72.33 C ATOM 0 H ALA A 762 1.385 -0.362 -5.085 1.00 41.11 H new ATOM 0 HA ALA A 762 -1.526 -0.163 -5.220 1.00 21.22 H new ATOM 0 HB1 ALA A 762 -1.174 1.726 -3.676 1.00 72.33 H new ATOM 0 HB2 ALA A 762 -0.406 0.234 -3.083 1.00 72.33 H new ATOM 0 HB3 ALA A 762 0.587 1.512 -3.824 1.00 72.33 H new ATOM 876 N LYS A 763 -1.680 1.405 -7.083 1.00 62.14 N ATOM 877 CA LYS A 763 -1.892 2.414 -8.100 1.00 61.00 C ATOM 878 C LYS A 763 -2.624 3.591 -7.485 1.00 4.25 C ATOM 879 O LYS A 763 -3.817 3.508 -7.204 1.00 60.13 O ATOM 880 CB LYS A 763 -2.691 1.838 -9.269 1.00 4.44 C ATOM 881 CG LYS A 763 -3.024 2.857 -10.346 1.00 42.25 C ATOM 882 CD LYS A 763 -3.863 2.235 -11.447 1.00 70.44 C ATOM 883 CE LYS A 763 -4.211 3.240 -12.531 1.00 52.34 C ATOM 884 NZ LYS A 763 -5.058 4.348 -12.014 1.00 40.13 N ATOM 0 H LYS A 763 -2.418 0.704 -7.023 1.00 62.14 H new ATOM 0 HA LYS A 763 -0.928 2.748 -8.485 1.00 61.00 H new ATOM 0 HB2 LYS A 763 -2.124 1.022 -9.717 1.00 4.44 H new ATOM 0 HB3 LYS A 763 -3.618 1.410 -8.887 1.00 4.44 H new ATOM 0 HG2 LYS A 763 -3.563 3.695 -9.904 1.00 42.25 H new ATOM 0 HG3 LYS A 763 -2.103 3.258 -10.769 1.00 42.25 H new ATOM 0 HD2 LYS A 763 -3.321 1.399 -11.888 1.00 70.44 H new ATOM 0 HD3 LYS A 763 -4.780 1.830 -11.019 1.00 70.44 H new ATOM 0 HE2 LYS A 763 -3.293 3.651 -12.952 1.00 52.34 H new ATOM 0 HE3 LYS A 763 -4.734 2.732 -13.342 1.00 52.34 H new ATOM 0 HZ1 LYS A 763 -5.648 4.722 -12.784 1.00 40.13 H new ATOM 0 HZ2 LYS A 763 -5.669 3.991 -11.251 1.00 40.13 H new ATOM 0 HZ3 LYS A 763 -4.450 5.106 -11.644 1.00 40.13 H new ATOM 898 N VAL A 764 -1.901 4.666 -7.243 1.00 1.11 N ATOM 899 CA VAL A 764 -2.484 5.849 -6.641 1.00 13.03 C ATOM 900 C VAL A 764 -2.558 6.970 -7.665 1.00 25.44 C ATOM 901 O VAL A 764 -1.560 7.625 -7.972 1.00 20.02 O ATOM 902 CB VAL A 764 -1.692 6.303 -5.398 1.00 52.11 C ATOM 903 CG1 VAL A 764 -2.342 7.517 -4.750 1.00 24.11 C ATOM 904 CG2 VAL A 764 -1.582 5.156 -4.402 1.00 73.31 C ATOM 0 H VAL A 764 -0.906 4.745 -7.454 1.00 1.11 H new ATOM 0 HA VAL A 764 -3.492 5.598 -6.312 1.00 13.03 H new ATOM 0 HB VAL A 764 -0.689 6.591 -5.714 1.00 52.11 H new ATOM 0 HG11 VAL A 764 -1.764 7.816 -3.876 1.00 24.11 H new ATOM 0 HG12 VAL A 764 -2.371 8.339 -5.465 1.00 24.11 H new ATOM 0 HG13 VAL A 764 -3.358 7.266 -4.444 1.00 24.11 H new ATOM 0 HG21 VAL A 764 -1.021 5.486 -3.528 1.00 73.31 H new ATOM 0 HG22 VAL A 764 -2.580 4.843 -4.096 1.00 73.31 H new ATOM 0 HG23 VAL A 764 -1.066 4.317 -4.869 1.00 73.31 H new ATOM 914 N GLY A 765 -3.745 7.158 -8.215 1.00 53.43 N ATOM 915 CA GLY A 765 -3.931 8.128 -9.269 1.00 3.40 C ATOM 916 C GLY A 765 -3.370 7.616 -10.576 1.00 50.44 C ATOM 917 O GLY A 765 -3.815 6.586 -11.084 1.00 51.34 O ATOM 0 H GLY A 765 -4.589 6.652 -7.947 1.00 53.43 H new ATOM 0 HA2 GLY A 765 -4.993 8.347 -9.385 1.00 3.40 H new ATOM 0 HA3 GLY A 765 -3.440 9.063 -8.999 1.00 3.40 H new ATOM 921 N GLY A 766 -2.381 8.312 -11.105 1.00 63.22 N ATOM 922 CA GLY A 766 -1.729 7.864 -12.314 1.00 43.24 C ATOM 923 C GLY A 766 -0.383 7.241 -12.023 1.00 54.43 C ATOM 924 O GLY A 766 0.350 6.860 -12.934 1.00 53.10 O ATOM 0 H GLY A 766 -2.016 9.182 -10.718 1.00 63.22 H new ATOM 0 HA2 GLY A 766 -2.364 7.139 -12.823 1.00 43.24 H new ATOM 0 HA3 GLY A 766 -1.601 8.707 -12.993 1.00 43.24 H new ATOM 928 N ARG A 767 -0.063 7.132 -10.741 1.00 24.53 N ATOM 929 CA ARG A 767 1.226 6.613 -10.318 1.00 50.43 C ATOM 930 C ARG A 767 1.101 5.183 -9.819 1.00 33.21 C ATOM 931 O ARG A 767 0.045 4.767 -9.341 1.00 72.22 O ATOM 932 CB ARG A 767 1.811 7.485 -9.210 1.00 63.05 C ATOM 933 CG ARG A 767 1.998 8.936 -9.609 1.00 54.02 C ATOM 934 CD ARG A 767 2.646 9.731 -8.489 1.00 12.41 C ATOM 935 NE ARG A 767 2.813 11.137 -8.843 1.00 1.45 N ATOM 936 CZ ARG A 767 3.979 11.774 -8.823 1.00 12.33 C ATOM 937 NH1 ARG A 767 5.096 11.125 -8.522 1.00 42.12 N ATOM 938 NH2 ARG A 767 4.033 13.063 -9.124 1.00 50.53 N ATOM 0 H ARG A 767 -0.682 7.398 -9.975 1.00 24.53 H new ATOM 0 HA ARG A 767 1.890 6.627 -11.182 1.00 50.43 H new ATOM 0 HB2 ARG A 767 1.156 7.438 -8.340 1.00 63.05 H new ATOM 0 HB3 ARG A 767 2.774 7.074 -8.907 1.00 63.05 H new ATOM 0 HG2 ARG A 767 2.616 8.993 -10.505 1.00 54.02 H new ATOM 0 HG3 ARG A 767 1.032 9.375 -9.859 1.00 54.02 H new ATOM 0 HD2 ARG A 767 2.036 9.654 -7.589 1.00 12.41 H new ATOM 0 HD3 ARG A 767 3.618 9.299 -8.253 1.00 12.41 H new ATOM 0 HE ARG A 767 1.985 11.662 -9.123 1.00 1.45 H new ATOM 0 HH11 ARG A 767 5.064 10.129 -8.304 1.00 42.12 H new ATOM 0 HH12 ARG A 767 5.987 11.622 -8.509 1.00 42.12 H new ATOM 0 HH21 ARG A 767 3.180 13.565 -9.371 1.00 50.53 H new ATOM 0 HH22 ARG A 767 4.927 13.553 -9.109 1.00 50.53 H new ATOM 952 N TRP A 768 2.185 4.439 -9.937 1.00 54.24 N ATOM 953 CA TRP A 768 2.244 3.072 -9.447 1.00 23.13 C ATOM 954 C TRP A 768 3.328 2.963 -8.381 1.00 51.44 C ATOM 955 O TRP A 768 4.517 2.984 -8.708 1.00 3.13 O ATOM 956 CB TRP A 768 2.565 2.100 -10.588 1.00 41.51 C ATOM 957 CG TRP A 768 1.640 2.189 -11.762 1.00 65.40 C ATOM 958 CD1 TRP A 768 1.718 3.067 -12.805 1.00 15.11 C ATOM 959 CD2 TRP A 768 0.503 1.360 -12.023 1.00 14.11 C ATOM 960 NE1 TRP A 768 0.700 2.836 -13.695 1.00 61.21 N ATOM 961 CE2 TRP A 768 -0.058 1.792 -13.239 1.00 11.44 C ATOM 962 CE3 TRP A 768 -0.095 0.293 -11.347 1.00 61.02 C ATOM 963 CZ2 TRP A 768 -1.187 1.195 -13.791 1.00 71.42 C ATOM 964 CZ3 TRP A 768 -1.216 -0.299 -11.898 1.00 72.31 C ATOM 965 CH2 TRP A 768 -1.751 0.154 -13.109 1.00 72.13 C ATOM 0 H TRP A 768 3.048 4.763 -10.374 1.00 54.24 H new ATOM 0 HA TRP A 768 1.273 2.813 -9.025 1.00 23.13 H new ATOM 0 HB2 TRP A 768 3.583 2.285 -10.930 1.00 41.51 H new ATOM 0 HB3 TRP A 768 2.540 1.082 -10.199 1.00 41.51 H new ATOM 0 HD1 TRP A 768 2.472 3.833 -12.913 1.00 15.11 H new ATOM 0 HE1 TRP A 768 0.535 3.357 -14.556 1.00 61.21 H new ATOM 0 HE3 TRP A 768 0.311 -0.062 -10.412 1.00 61.02 H new ATOM 0 HZ2 TRP A 768 -1.603 1.542 -14.725 1.00 71.42 H new ATOM 0 HZ3 TRP A 768 -1.687 -1.125 -11.385 1.00 72.31 H new ATOM 0 HH2 TRP A 768 -2.628 -0.329 -13.513 1.00 72.13 H new ATOM 976 N PHE A 769 2.930 2.875 -7.118 1.00 52.20 N ATOM 977 CA PHE A 769 3.890 2.765 -6.023 1.00 14.51 C ATOM 978 C PHE A 769 3.182 2.469 -4.706 1.00 21.20 C ATOM 979 O PHE A 769 2.123 3.024 -4.421 1.00 61.25 O ATOM 980 CB PHE A 769 4.725 4.052 -5.887 1.00 72.14 C ATOM 981 CG PHE A 769 3.976 5.231 -5.324 1.00 61.41 C ATOM 982 CD1 PHE A 769 3.074 5.939 -6.102 1.00 72.35 C ATOM 983 CD2 PHE A 769 4.181 5.626 -4.012 1.00 3.32 C ATOM 984 CE1 PHE A 769 2.391 7.021 -5.580 1.00 41.13 C ATOM 985 CE2 PHE A 769 3.501 6.707 -3.486 1.00 12.11 C ATOM 986 CZ PHE A 769 2.604 7.404 -4.271 1.00 60.34 C ATOM 0 H PHE A 769 1.953 2.877 -6.825 1.00 52.20 H new ATOM 0 HA PHE A 769 4.559 1.937 -6.257 1.00 14.51 H new ATOM 0 HB2 PHE A 769 5.584 3.846 -5.248 1.00 72.14 H new ATOM 0 HB3 PHE A 769 5.115 4.321 -6.869 1.00 72.14 H new ATOM 0 HD1 PHE A 769 2.903 5.642 -7.126 1.00 72.35 H new ATOM 0 HD2 PHE A 769 4.880 5.083 -3.394 1.00 3.32 H new ATOM 0 HE1 PHE A 769 1.691 7.567 -6.196 1.00 41.13 H new ATOM 0 HE2 PHE A 769 3.671 7.007 -2.462 1.00 12.11 H new ATOM 0 HZ PHE A 769 2.069 8.248 -3.861 1.00 60.34 H new ATOM 996 N PRO A 770 3.755 1.581 -3.887 1.00 23.05 N ATOM 997 CA PRO A 770 4.953 0.831 -4.222 1.00 31.44 C ATOM 998 C PRO A 770 4.627 -0.585 -4.693 1.00 63.11 C ATOM 999 O PRO A 770 3.457 -0.954 -4.810 1.00 33.33 O ATOM 1000 CB PRO A 770 5.670 0.792 -2.877 1.00 63.12 C ATOM 1001 CG PRO A 770 4.568 0.739 -1.862 1.00 1.44 C ATOM 1002 CD PRO A 770 3.312 1.263 -2.528 1.00 43.40 C ATOM 0 HA PRO A 770 5.528 1.273 -5.036 1.00 31.44 H new ATOM 0 HB2 PRO A 770 6.322 -0.078 -2.800 1.00 63.12 H new ATOM 0 HB3 PRO A 770 6.297 1.673 -2.736 1.00 63.12 H new ATOM 0 HG2 PRO A 770 4.419 -0.282 -1.511 1.00 1.44 H new ATOM 0 HG3 PRO A 770 4.820 1.342 -0.990 1.00 1.44 H new ATOM 0 HD2 PRO A 770 2.517 0.517 -2.529 1.00 43.40 H new ATOM 0 HD3 PRO A 770 2.923 2.143 -2.016 1.00 43.40 H new ATOM 1010 N ALA A 771 5.659 -1.368 -4.959 1.00 11.41 N ATOM 1011 CA ALA A 771 5.483 -2.767 -5.318 1.00 23.14 C ATOM 1012 C ALA A 771 6.068 -3.655 -4.230 1.00 34.01 C ATOM 1013 O ALA A 771 7.270 -3.613 -3.970 1.00 2.10 O ATOM 1014 CB ALA A 771 6.137 -3.061 -6.661 1.00 2.01 C ATOM 0 H ALA A 771 6.631 -1.058 -4.933 1.00 11.41 H new ATOM 0 HA ALA A 771 4.417 -2.977 -5.409 1.00 23.14 H new ATOM 0 HB1 ALA A 771 5.995 -4.112 -6.913 1.00 2.01 H new ATOM 0 HB2 ALA A 771 5.682 -2.439 -7.431 1.00 2.01 H new ATOM 0 HB3 ALA A 771 7.203 -2.843 -6.602 1.00 2.01 H new ATOM 1020 N VAL A 772 5.220 -4.435 -3.579 1.00 62.53 N ATOM 1021 CA VAL A 772 5.661 -5.276 -2.474 1.00 64.20 C ATOM 1022 C VAL A 772 5.424 -6.750 -2.773 1.00 23.14 C ATOM 1023 O VAL A 772 4.408 -7.126 -3.363 1.00 72.45 O ATOM 1024 CB VAL A 772 4.957 -4.899 -1.149 1.00 22.15 C ATOM 1025 CG1 VAL A 772 5.348 -3.495 -0.715 1.00 51.54 C ATOM 1026 CG2 VAL A 772 3.445 -5.014 -1.283 1.00 51.11 C ATOM 0 H VAL A 772 4.225 -4.504 -3.794 1.00 62.53 H new ATOM 0 HA VAL A 772 6.731 -5.104 -2.359 1.00 64.20 H new ATOM 0 HB VAL A 772 5.284 -5.602 -0.382 1.00 22.15 H new ATOM 0 HG11 VAL A 772 4.842 -3.249 0.219 1.00 51.54 H new ATOM 0 HG12 VAL A 772 6.427 -3.447 -0.567 1.00 51.54 H new ATOM 0 HG13 VAL A 772 5.055 -2.781 -1.485 1.00 51.54 H new ATOM 0 HG21 VAL A 772 2.974 -4.744 -0.338 1.00 51.11 H new ATOM 0 HG22 VAL A 772 3.097 -4.342 -2.067 1.00 51.11 H new ATOM 0 HG23 VAL A 772 3.179 -6.039 -1.540 1.00 51.11 H new ATOM 1036 N CYS A 773 6.373 -7.579 -2.376 1.00 71.15 N ATOM 1037 CA CYS A 773 6.265 -9.014 -2.568 1.00 45.14 C ATOM 1038 C CYS A 773 5.717 -9.681 -1.312 1.00 21.02 C ATOM 1039 O CYS A 773 6.429 -9.862 -0.323 1.00 22.13 O ATOM 1040 CB CYS A 773 7.631 -9.592 -2.941 1.00 54.32 C ATOM 1041 SG CYS A 773 8.993 -8.972 -1.923 1.00 64.01 S ATOM 0 H CYS A 773 7.233 -7.280 -1.916 1.00 71.15 H new ATOM 0 HA CYS A 773 5.569 -9.212 -3.383 1.00 45.14 H new ATOM 0 HB2 CYS A 773 7.591 -10.678 -2.855 1.00 54.32 H new ATOM 0 HB3 CYS A 773 7.838 -9.363 -3.986 1.00 54.32 H new ATOM 0 HG CYS A 773 8.649 -9.007 -0.670 1.00 64.01 H new ATOM 1047 N ALA A 774 4.443 -10.031 -1.347 1.00 52.53 N ATOM 1048 CA ALA A 774 3.782 -10.620 -0.197 1.00 73.31 C ATOM 1049 C ALA A 774 3.531 -12.104 -0.419 1.00 52.34 C ATOM 1050 O ALA A 774 3.842 -12.642 -1.477 1.00 42.44 O ATOM 1051 CB ALA A 774 2.478 -9.895 0.080 1.00 63.22 C ATOM 0 H ALA A 774 3.844 -9.916 -2.164 1.00 52.53 H new ATOM 0 HA ALA A 774 4.434 -10.515 0.670 1.00 73.31 H new ATOM 0 HB1 ALA A 774 1.989 -10.344 0.945 1.00 63.22 H new ATOM 0 HB2 ALA A 774 2.682 -8.844 0.284 1.00 63.22 H new ATOM 0 HB3 ALA A 774 1.825 -9.976 -0.789 1.00 63.22 H new ATOM 1057 N HIS A 775 2.974 -12.762 0.587 1.00 31.33 N ATOM 1058 CA HIS A 775 2.658 -14.184 0.497 1.00 41.21 C ATOM 1059 C HIS A 775 1.159 -14.394 0.626 1.00 65.53 C ATOM 1060 O HIS A 775 0.687 -15.516 0.800 1.00 53.52 O ATOM 1061 CB HIS A 775 3.385 -14.969 1.592 1.00 22.20 C ATOM 1062 CG HIS A 775 4.873 -14.961 1.453 1.00 24.50 C ATOM 1063 ND1 HIS A 775 5.610 -16.097 1.211 1.00 24.12 N ATOM 1064 CD2 HIS A 775 5.761 -13.945 1.526 1.00 40.34 C ATOM 1065 CE1 HIS A 775 6.889 -15.782 1.138 1.00 34.41 C ATOM 1066 NE2 HIS A 775 7.009 -14.480 1.325 1.00 10.23 N ATOM 0 H HIS A 775 2.730 -12.333 1.480 1.00 31.33 H new ATOM 0 HA HIS A 775 2.991 -14.549 -0.475 1.00 41.21 H new ATOM 0 HB2 HIS A 775 3.118 -14.552 2.563 1.00 22.20 H new ATOM 0 HB3 HIS A 775 3.034 -16.001 1.580 1.00 22.20 H new ATOM 0 HD2 HIS A 775 5.531 -12.906 1.709 1.00 40.34 H new ATOM 0 HE1 HIS A 775 7.700 -16.472 0.956 1.00 34.41 H new ATOM 0 HE2 HIS A 775 7.885 -13.958 1.321 1.00 10.23 H new ATOM 1075 N SER A 776 0.420 -13.301 0.532 1.00 51.20 N ATOM 1076 CA SER A 776 -1.019 -13.328 0.709 1.00 11.34 C ATOM 1077 C SER A 776 -1.618 -12.004 0.249 1.00 42.21 C ATOM 1078 O SER A 776 -0.934 -10.978 0.255 1.00 33.22 O ATOM 1079 CB SER A 776 -1.348 -13.581 2.188 1.00 24.02 C ATOM 1080 OG SER A 776 -2.743 -13.695 2.408 1.00 65.34 O ATOM 0 H SER A 776 0.800 -12.376 0.332 1.00 51.20 H new ATOM 0 HA SER A 776 -1.447 -14.131 0.110 1.00 11.34 H new ATOM 0 HB2 SER A 776 -0.853 -14.494 2.519 1.00 24.02 H new ATOM 0 HB3 SER A 776 -0.951 -12.766 2.793 1.00 24.02 H new ATOM 0 HG SER A 776 -2.912 -13.857 3.360 1.00 65.34 H new ATOM 1086 N LYS A 777 -2.882 -12.033 -0.156 1.00 55.21 N ATOM 1087 CA LYS A 777 -3.589 -10.829 -0.578 1.00 72.23 C ATOM 1088 C LYS A 777 -3.683 -9.852 0.592 1.00 13.45 C ATOM 1089 O LYS A 777 -3.468 -8.648 0.435 1.00 54.34 O ATOM 1090 CB LYS A 777 -4.989 -11.202 -1.099 1.00 2.50 C ATOM 1091 CG LYS A 777 -5.764 -10.053 -1.742 1.00 10.54 C ATOM 1092 CD LYS A 777 -6.473 -9.178 -0.717 1.00 64.34 C ATOM 1093 CE LYS A 777 -7.547 -9.944 0.041 1.00 60.12 C ATOM 1094 NZ LYS A 777 -8.588 -10.492 -0.865 1.00 40.50 N ATOM 0 H LYS A 777 -3.442 -12.884 -0.201 1.00 55.21 H new ATOM 0 HA LYS A 777 -3.041 -10.346 -1.387 1.00 72.23 H new ATOM 0 HB2 LYS A 777 -4.887 -12.005 -1.829 1.00 2.50 H new ATOM 0 HB3 LYS A 777 -5.576 -11.597 -0.270 1.00 2.50 H new ATOM 0 HG2 LYS A 777 -5.078 -9.439 -2.326 1.00 10.54 H new ATOM 0 HG3 LYS A 777 -6.499 -10.459 -2.437 1.00 10.54 H new ATOM 0 HD2 LYS A 777 -5.743 -8.783 -0.011 1.00 64.34 H new ATOM 0 HD3 LYS A 777 -6.924 -8.323 -1.220 1.00 64.34 H new ATOM 0 HE2 LYS A 777 -7.085 -10.760 0.597 1.00 60.12 H new ATOM 0 HE3 LYS A 777 -8.014 -9.284 0.772 1.00 60.12 H new ATOM 0 HZ1 LYS A 777 -9.404 -10.810 -0.304 1.00 40.50 H new ATOM 0 HZ2 LYS A 777 -8.892 -9.753 -1.531 1.00 40.50 H new ATOM 0 HZ3 LYS A 777 -8.198 -11.297 -1.396 1.00 40.50 H new ATOM 1108 N LYS A 778 -3.989 -10.395 1.765 1.00 3.33 N ATOM 1109 CA LYS A 778 -4.079 -9.610 2.991 1.00 10.01 C ATOM 1110 C LYS A 778 -2.757 -8.899 3.276 1.00 54.31 C ATOM 1111 O LYS A 778 -2.742 -7.742 3.698 1.00 1.10 O ATOM 1112 CB LYS A 778 -4.446 -10.528 4.162 1.00 65.42 C ATOM 1113 CG LYS A 778 -4.644 -9.807 5.485 1.00 44.14 C ATOM 1114 CD LYS A 778 -5.862 -8.898 5.456 1.00 51.01 C ATOM 1115 CE LYS A 778 -6.082 -8.228 6.801 1.00 64.15 C ATOM 1116 NZ LYS A 778 -7.311 -7.394 6.812 1.00 1.41 N ATOM 0 H LYS A 778 -4.181 -11.389 1.893 1.00 3.33 H new ATOM 0 HA LYS A 778 -4.853 -8.853 2.867 1.00 10.01 H new ATOM 0 HB2 LYS A 778 -5.361 -11.065 3.914 1.00 65.42 H new ATOM 0 HB3 LYS A 778 -3.661 -11.275 4.283 1.00 65.42 H new ATOM 0 HG2 LYS A 778 -4.756 -10.539 6.285 1.00 44.14 H new ATOM 0 HG3 LYS A 778 -3.756 -9.218 5.714 1.00 44.14 H new ATOM 0 HD2 LYS A 778 -5.733 -8.138 4.685 1.00 51.01 H new ATOM 0 HD3 LYS A 778 -6.745 -9.478 5.187 1.00 51.01 H new ATOM 0 HE2 LYS A 778 -6.153 -8.989 7.578 1.00 64.15 H new ATOM 0 HE3 LYS A 778 -5.220 -7.606 7.042 1.00 64.15 H new ATOM 0 HZ1 LYS A 778 -7.424 -6.955 7.748 1.00 1.41 H new ATOM 0 HZ2 LYS A 778 -7.233 -6.651 6.088 1.00 1.41 H new ATOM 0 HZ3 LYS A 778 -8.138 -7.991 6.608 1.00 1.41 H new ATOM 1130 N GLN A 779 -1.651 -9.597 3.044 1.00 61.44 N ATOM 1131 CA GLN A 779 -0.331 -9.005 3.222 1.00 52.14 C ATOM 1132 C GLN A 779 -0.067 -7.964 2.147 1.00 33.44 C ATOM 1133 O GLN A 779 0.394 -6.864 2.440 1.00 22.53 O ATOM 1134 CB GLN A 779 0.767 -10.072 3.180 1.00 40.53 C ATOM 1135 CG GLN A 779 0.838 -10.939 4.422 1.00 2.42 C ATOM 1136 CD GLN A 779 2.000 -11.906 4.367 1.00 44.33 C ATOM 1137 OE1 GLN A 779 2.393 -12.358 3.292 1.00 32.10 O ATOM 1138 NE2 GLN A 779 2.572 -12.212 5.520 1.00 62.04 N ATOM 0 H GLN A 779 -1.642 -10.569 2.734 1.00 61.44 H new ATOM 0 HA GLN A 779 -0.314 -8.527 4.202 1.00 52.14 H new ATOM 0 HB2 GLN A 779 0.604 -10.712 2.313 1.00 40.53 H new ATOM 0 HB3 GLN A 779 1.730 -9.581 3.037 1.00 40.53 H new ATOM 0 HG2 GLN A 779 0.935 -10.305 5.303 1.00 2.42 H new ATOM 0 HG3 GLN A 779 -0.093 -11.495 4.530 1.00 2.42 H new ATOM 0 HE21 GLN A 779 2.214 -11.814 6.388 1.00 62.04 H new ATOM 0 HE22 GLN A 779 3.371 -12.845 5.541 1.00 62.04 H new ATOM 1147 N GLY A 780 -0.383 -8.318 0.906 1.00 22.14 N ATOM 1148 CA GLY A 780 -0.113 -7.448 -0.224 1.00 20.34 C ATOM 1149 C GLY A 780 -0.706 -6.066 -0.063 1.00 61.31 C ATOM 1150 O GLY A 780 -0.023 -5.070 -0.272 1.00 44.14 O ATOM 0 H GLY A 780 -0.827 -9.203 0.661 1.00 22.14 H new ATOM 0 HA2 GLY A 780 0.965 -7.361 -0.359 1.00 20.34 H new ATOM 0 HA3 GLY A 780 -0.511 -7.905 -1.130 1.00 20.34 H new ATOM 1154 N LYS A 781 -1.972 -6.009 0.328 1.00 0.32 N ATOM 1155 CA LYS A 781 -2.662 -4.735 0.481 1.00 23.12 C ATOM 1156 C LYS A 781 -2.072 -3.921 1.627 1.00 14.44 C ATOM 1157 O LYS A 781 -1.827 -2.721 1.484 1.00 5.14 O ATOM 1158 CB LYS A 781 -4.156 -4.957 0.716 1.00 3.24 C ATOM 1159 CG LYS A 781 -4.853 -5.657 -0.438 1.00 43.25 C ATOM 1160 CD LYS A 781 -6.360 -5.709 -0.239 1.00 23.13 C ATOM 1161 CE LYS A 781 -6.954 -4.318 -0.090 1.00 60.32 C ATOM 1162 NZ LYS A 781 -8.440 -4.343 -0.114 1.00 72.44 N ATOM 0 H LYS A 781 -2.541 -6.828 0.545 1.00 0.32 H new ATOM 0 HA LYS A 781 -2.527 -4.174 -0.444 1.00 23.12 H new ATOM 0 HB2 LYS A 781 -4.289 -5.547 1.623 1.00 3.24 H new ATOM 0 HB3 LYS A 781 -4.636 -3.994 0.889 1.00 3.24 H new ATOM 0 HG2 LYS A 781 -4.627 -5.137 -1.369 1.00 43.25 H new ATOM 0 HG3 LYS A 781 -4.464 -6.670 -0.537 1.00 43.25 H new ATOM 0 HD2 LYS A 781 -6.822 -6.213 -1.088 1.00 23.13 H new ATOM 0 HD3 LYS A 781 -6.590 -6.300 0.647 1.00 23.13 H new ATOM 0 HE2 LYS A 781 -6.614 -3.877 0.847 1.00 60.32 H new ATOM 0 HE3 LYS A 781 -6.589 -3.679 -0.894 1.00 60.32 H new ATOM 0 HZ1 LYS A 781 -8.805 -3.375 -0.010 1.00 72.44 H new ATOM 0 HZ2 LYS A 781 -8.766 -4.740 -1.018 1.00 72.44 H new ATOM 0 HZ3 LYS A 781 -8.790 -4.931 0.669 1.00 72.44 H new ATOM 1176 N GLN A 782 -1.827 -4.576 2.755 1.00 32.55 N ATOM 1177 CA GLN A 782 -1.310 -3.892 3.932 1.00 5.35 C ATOM 1178 C GLN A 782 0.111 -3.400 3.707 1.00 54.11 C ATOM 1179 O GLN A 782 0.411 -2.238 3.964 1.00 52.11 O ATOM 1180 CB GLN A 782 -1.348 -4.802 5.157 1.00 51.24 C ATOM 1181 CG GLN A 782 -2.751 -5.141 5.621 1.00 11.41 C ATOM 1182 CD GLN A 782 -2.745 -6.046 6.835 1.00 32.30 C ATOM 1183 OE1 GLN A 782 -2.715 -7.345 6.595 1.00 75.43 O flip ATOM 1184 NE2 GLN A 782 -2.753 -5.582 7.975 1.00 43.34 N flip ATOM 0 H GLN A 782 -1.978 -5.577 2.879 1.00 32.55 H new ATOM 0 HA GLN A 782 -1.954 -3.031 4.110 1.00 5.35 H new ATOM 0 HB2 GLN A 782 -0.817 -5.726 4.929 1.00 51.24 H new ATOM 0 HB3 GLN A 782 -0.811 -4.320 5.974 1.00 51.24 H new ATOM 0 HG2 GLN A 782 -3.287 -4.222 5.857 1.00 11.41 H new ATOM 0 HG3 GLN A 782 -3.294 -5.627 4.810 1.00 11.41 H new ATOM 0 HE21 GLN A 782 -2.776 -4.572 8.114 1.00 43.34 H new ATOM 0 HE22 GLN A 782 -2.736 -6.208 8.780 1.00 43.34 H new ATOM 1193 N GLU A 783 0.979 -4.279 3.217 1.00 13.34 N ATOM 1194 CA GLU A 783 2.377 -3.927 2.999 1.00 42.14 C ATOM 1195 C GLU A 783 2.505 -2.831 1.949 1.00 53.10 C ATOM 1196 O GLU A 783 3.319 -1.917 2.093 1.00 3.01 O ATOM 1197 CB GLU A 783 3.189 -5.153 2.576 1.00 15.52 C ATOM 1198 CG GLU A 783 3.209 -6.267 3.612 1.00 50.23 C ATOM 1199 CD GLU A 783 3.642 -5.788 4.983 1.00 4.24 C ATOM 1200 OE1 GLU A 783 4.823 -5.409 5.145 1.00 10.34 O ATOM 1201 OE2 GLU A 783 2.807 -5.804 5.912 1.00 65.13 O ATOM 0 H GLU A 783 0.740 -5.238 2.964 1.00 13.34 H new ATOM 0 HA GLU A 783 2.775 -3.553 3.943 1.00 42.14 H new ATOM 0 HB2 GLU A 783 2.780 -5.544 1.644 1.00 15.52 H new ATOM 0 HB3 GLU A 783 4.214 -4.844 2.369 1.00 15.52 H new ATOM 0 HG2 GLU A 783 2.215 -6.708 3.684 1.00 50.23 H new ATOM 0 HG3 GLU A 783 3.884 -7.055 3.278 1.00 50.23 H new ATOM 1208 N ALA A 784 1.693 -2.919 0.896 1.00 34.23 N ATOM 1209 CA ALA A 784 1.692 -1.909 -0.152 1.00 22.23 C ATOM 1210 C ALA A 784 1.289 -0.556 0.412 1.00 0.44 C ATOM 1211 O ALA A 784 1.987 0.434 0.220 1.00 64.44 O ATOM 1212 CB ALA A 784 0.763 -2.304 -1.289 1.00 60.31 C ATOM 0 H ALA A 784 1.030 -3.680 0.750 1.00 34.23 H new ATOM 0 HA ALA A 784 2.704 -1.835 -0.549 1.00 22.23 H new ATOM 0 HB1 ALA A 784 0.781 -1.532 -2.058 1.00 60.31 H new ATOM 0 HB2 ALA A 784 1.093 -3.251 -1.717 1.00 60.31 H new ATOM 0 HB3 ALA A 784 -0.252 -2.413 -0.908 1.00 60.31 H new ATOM 1218 N ALA A 785 0.176 -0.527 1.132 1.00 53.31 N ATOM 1219 CA ALA A 785 -0.322 0.711 1.713 1.00 22.32 C ATOM 1220 C ALA A 785 0.635 1.238 2.778 1.00 54.45 C ATOM 1221 O ALA A 785 0.861 2.444 2.878 1.00 62.24 O ATOM 1222 CB ALA A 785 -1.706 0.496 2.296 1.00 1.33 C ATOM 0 H ALA A 785 -0.399 -1.347 1.327 1.00 53.31 H new ATOM 0 HA ALA A 785 -0.388 1.459 0.923 1.00 22.32 H new ATOM 0 HB1 ALA A 785 -2.068 1.429 2.728 1.00 1.33 H new ATOM 0 HB2 ALA A 785 -2.386 0.173 1.508 1.00 1.33 H new ATOM 0 HB3 ALA A 785 -1.659 -0.269 3.072 1.00 1.33 H new ATOM 1228 N ASP A 786 1.195 0.324 3.562 1.00 61.11 N ATOM 1229 CA ASP A 786 2.173 0.673 4.590 1.00 41.43 C ATOM 1230 C ASP A 786 3.360 1.392 3.972 1.00 42.31 C ATOM 1231 O ASP A 786 3.706 2.502 4.374 1.00 71.20 O ATOM 1232 CB ASP A 786 2.648 -0.587 5.323 1.00 1.31 C ATOM 1233 CG ASP A 786 3.709 -0.304 6.368 1.00 14.54 C ATOM 1234 OD1 ASP A 786 3.350 0.125 7.484 1.00 61.23 O ATOM 1235 OD2 ASP A 786 4.906 -0.536 6.087 1.00 44.52 O ATOM 0 H ASP A 786 0.987 -0.673 3.505 1.00 61.11 H new ATOM 0 HA ASP A 786 1.694 1.340 5.307 1.00 41.43 H new ATOM 0 HB2 ASP A 786 1.794 -1.065 5.802 1.00 1.31 H new ATOM 0 HB3 ASP A 786 3.043 -1.296 4.595 1.00 1.31 H new ATOM 1240 N ALA A 787 3.960 0.763 2.973 1.00 25.43 N ATOM 1241 CA ALA A 787 5.098 1.345 2.284 1.00 10.50 C ATOM 1242 C ALA A 787 4.691 2.618 1.550 1.00 2.41 C ATOM 1243 O ALA A 787 5.448 3.583 1.509 1.00 24.33 O ATOM 1244 CB ALA A 787 5.713 0.338 1.323 1.00 21.03 C ATOM 0 H ALA A 787 3.676 -0.152 2.622 1.00 25.43 H new ATOM 0 HA ALA A 787 5.850 1.610 3.027 1.00 10.50 H new ATOM 0 HB1 ALA A 787 6.564 0.792 0.816 1.00 21.03 H new ATOM 0 HB2 ALA A 787 6.047 -0.538 1.879 1.00 21.03 H new ATOM 0 HB3 ALA A 787 4.969 0.038 0.585 1.00 21.03 H new ATOM 1250 N ALA A 788 3.481 2.624 0.995 1.00 43.14 N ATOM 1251 CA ALA A 788 2.971 3.781 0.264 1.00 41.41 C ATOM 1252 C ALA A 788 2.923 5.013 1.158 1.00 15.23 C ATOM 1253 O ALA A 788 3.403 6.081 0.775 1.00 55.55 O ATOM 1254 CB ALA A 788 1.592 3.492 -0.306 1.00 75.43 C ATOM 0 H ALA A 788 2.833 1.837 1.038 1.00 43.14 H new ATOM 0 HA ALA A 788 3.654 3.982 -0.561 1.00 41.41 H new ATOM 0 HB1 ALA A 788 1.231 4.367 -0.846 1.00 75.43 H new ATOM 0 HB2 ALA A 788 1.651 2.643 -0.987 1.00 75.43 H new ATOM 0 HB3 ALA A 788 0.904 3.258 0.507 1.00 75.43 H new ATOM 1260 N LEU A 789 2.358 4.859 2.350 1.00 45.51 N ATOM 1261 CA LEU A 789 2.277 5.960 3.299 1.00 32.34 C ATOM 1262 C LEU A 789 3.675 6.423 3.672 1.00 21.53 C ATOM 1263 O LEU A 789 3.937 7.617 3.782 1.00 63.21 O ATOM 1264 CB LEU A 789 1.517 5.539 4.558 1.00 62.45 C ATOM 1265 CG LEU A 789 0.093 5.035 4.326 1.00 2.20 C ATOM 1266 CD1 LEU A 789 -0.596 4.758 5.652 1.00 61.42 C ATOM 1267 CD2 LEU A 789 -0.701 6.038 3.506 1.00 23.15 C ATOM 0 H LEU A 789 1.951 3.984 2.681 1.00 45.51 H new ATOM 0 HA LEU A 789 1.736 6.781 2.828 1.00 32.34 H new ATOM 0 HB2 LEU A 789 2.085 4.755 5.059 1.00 62.45 H new ATOM 0 HB3 LEU A 789 1.477 6.389 5.239 1.00 62.45 H new ATOM 0 HG LEU A 789 0.144 4.101 3.766 1.00 2.20 H new ATOM 0 HD11 LEU A 789 -1.609 4.400 5.468 1.00 61.42 H new ATOM 0 HD12 LEU A 789 -0.037 4.000 6.201 1.00 61.42 H new ATOM 0 HD13 LEU A 789 -0.637 5.675 6.240 1.00 61.42 H new ATOM 0 HD21 LEU A 789 -1.712 5.662 3.351 1.00 23.15 H new ATOM 0 HD22 LEU A 789 -0.745 6.989 4.037 1.00 23.15 H new ATOM 0 HD23 LEU A 789 -0.216 6.184 2.541 1.00 23.15 H new ATOM 1279 N ARG A 790 4.572 5.460 3.841 1.00 31.44 N ATOM 1280 CA ARG A 790 5.959 5.744 4.179 1.00 54.12 C ATOM 1281 C ARG A 790 6.662 6.511 3.060 1.00 74.41 C ATOM 1282 O ARG A 790 7.556 7.314 3.320 1.00 22.42 O ATOM 1283 CB ARG A 790 6.684 4.441 4.491 1.00 2.32 C ATOM 1284 CG ARG A 790 6.184 3.808 5.773 1.00 45.00 C ATOM 1285 CD ARG A 790 6.525 2.337 5.851 1.00 73.15 C ATOM 1286 NE ARG A 790 7.962 2.093 5.934 1.00 13.14 N ATOM 1287 CZ ARG A 790 8.495 0.878 6.039 1.00 75.31 C ATOM 1288 NH1 ARG A 790 7.705 -0.193 6.056 1.00 44.31 N ATOM 1289 NH2 ARG A 790 9.812 0.731 6.126 1.00 54.53 N ATOM 0 H ARG A 790 4.360 4.467 3.748 1.00 31.44 H new ATOM 0 HA ARG A 790 5.979 6.382 5.063 1.00 54.12 H new ATOM 0 HB2 ARG A 790 6.548 3.743 3.665 1.00 2.32 H new ATOM 0 HB3 ARG A 790 7.754 4.632 4.574 1.00 2.32 H new ATOM 0 HG2 ARG A 790 6.620 4.327 6.627 1.00 45.00 H new ATOM 0 HG3 ARG A 790 5.103 3.933 5.841 1.00 45.00 H new ATOM 0 HD2 ARG A 790 6.036 1.901 6.722 1.00 73.15 H new ATOM 0 HD3 ARG A 790 6.125 1.829 4.974 1.00 73.15 H new ATOM 0 HE ARG A 790 8.591 2.896 5.910 1.00 13.14 H new ATOM 0 HH11 ARG A 790 6.693 -0.082 5.989 1.00 44.31 H new ATOM 0 HH12 ARG A 790 8.111 -1.125 6.136 1.00 44.31 H new ATOM 0 HH21 ARG A 790 10.419 1.551 6.112 1.00 54.53 H new ATOM 0 HH22 ARG A 790 10.217 -0.202 6.206 1.00 54.53 H new ATOM 1303 N VAL A 791 6.249 6.272 1.819 1.00 24.13 N ATOM 1304 CA VAL A 791 6.750 7.047 0.688 1.00 75.31 C ATOM 1305 C VAL A 791 6.268 8.487 0.797 1.00 32.21 C ATOM 1306 O VAL A 791 7.048 9.426 0.673 1.00 13.21 O ATOM 1307 CB VAL A 791 6.287 6.471 -0.669 1.00 74.01 C ATOM 1308 CG1 VAL A 791 6.802 7.320 -1.820 1.00 65.00 C ATOM 1309 CG2 VAL A 791 6.744 5.032 -0.832 1.00 73.41 C ATOM 0 H VAL A 791 5.571 5.551 1.571 1.00 24.13 H new ATOM 0 HA VAL A 791 7.838 6.999 0.724 1.00 75.31 H new ATOM 0 HB VAL A 791 5.197 6.490 -0.685 1.00 74.01 H new ATOM 0 HG11 VAL A 791 6.464 6.895 -2.765 1.00 65.00 H new ATOM 0 HG12 VAL A 791 6.421 8.336 -1.722 1.00 65.00 H new ATOM 0 HG13 VAL A 791 7.892 7.338 -1.800 1.00 65.00 H new ATOM 0 HG21 VAL A 791 6.406 4.650 -1.795 1.00 73.41 H new ATOM 0 HG22 VAL A 791 7.832 4.988 -0.786 1.00 73.41 H new ATOM 0 HG23 VAL A 791 6.323 4.424 -0.032 1.00 73.41 H new ATOM 1319 N LEU A 792 4.974 8.644 1.047 1.00 22.25 N ATOM 1320 CA LEU A 792 4.359 9.964 1.166 1.00 64.12 C ATOM 1321 C LEU A 792 4.993 10.745 2.310 1.00 33.41 C ATOM 1322 O LEU A 792 5.476 11.863 2.126 1.00 2.41 O ATOM 1323 CB LEU A 792 2.858 9.816 1.413 1.00 33.22 C ATOM 1324 CG LEU A 792 2.148 8.812 0.505 1.00 35.45 C ATOM 1325 CD1 LEU A 792 0.690 8.672 0.901 1.00 24.14 C ATOM 1326 CD2 LEU A 792 2.273 9.222 -0.954 1.00 22.41 C ATOM 0 H LEU A 792 4.324 7.868 1.172 1.00 22.25 H new ATOM 0 HA LEU A 792 4.521 10.509 0.236 1.00 64.12 H new ATOM 0 HB2 LEU A 792 2.704 9.517 2.450 1.00 33.22 H new ATOM 0 HB3 LEU A 792 2.387 10.791 1.289 1.00 33.22 H new ATOM 0 HG LEU A 792 2.630 7.842 0.626 1.00 35.45 H new ATOM 0 HD11 LEU A 792 0.202 7.953 0.243 1.00 24.14 H new ATOM 0 HD12 LEU A 792 0.625 8.323 1.932 1.00 24.14 H new ATOM 0 HD13 LEU A 792 0.195 9.639 0.813 1.00 24.14 H new ATOM 0 HD21 LEU A 792 1.760 8.493 -1.582 1.00 22.41 H new ATOM 0 HD22 LEU A 792 1.822 10.204 -1.096 1.00 22.41 H new ATOM 0 HD23 LEU A 792 3.326 9.263 -1.231 1.00 22.41 H new ATOM 1338 N ILE A 793 4.986 10.134 3.489 1.00 11.55 N ATOM 1339 CA ILE A 793 5.601 10.714 4.675 1.00 63.01 C ATOM 1340 C ILE A 793 7.084 10.985 4.433 1.00 75.44 C ATOM 1341 O ILE A 793 7.585 12.066 4.744 1.00 12.15 O ATOM 1342 CB ILE A 793 5.434 9.772 5.887 1.00 65.04 C ATOM 1343 CG1 ILE A 793 3.946 9.533 6.158 1.00 43.55 C ATOM 1344 CG2 ILE A 793 6.119 10.345 7.121 1.00 0.15 C ATOM 1345 CD1 ILE A 793 3.672 8.387 7.106 1.00 55.44 C ATOM 0 H ILE A 793 4.554 9.224 3.649 1.00 11.55 H new ATOM 0 HA ILE A 793 5.100 11.658 4.889 1.00 63.01 H new ATOM 0 HB ILE A 793 5.909 8.819 5.655 1.00 65.04 H new ATOM 0 HG12 ILE A 793 3.511 10.444 6.569 1.00 43.55 H new ATOM 0 HG13 ILE A 793 3.441 9.338 5.212 1.00 43.55 H new ATOM 0 HG21 ILE A 793 5.987 9.663 7.961 1.00 0.15 H new ATOM 0 HG22 ILE A 793 7.183 10.472 6.921 1.00 0.15 H new ATOM 0 HG23 ILE A 793 5.678 11.311 7.366 1.00 0.15 H new ATOM 0 HD11 ILE A 793 2.596 8.281 7.247 1.00 55.44 H new ATOM 0 HD12 ILE A 793 4.076 7.465 6.688 1.00 55.44 H new ATOM 0 HD13 ILE A 793 4.146 8.588 8.067 1.00 55.44 H new ATOM 1357 N GLY A 794 7.769 10.007 3.851 1.00 43.24 N ATOM 1358 CA GLY A 794 9.180 10.152 3.560 1.00 75.12 C ATOM 1359 C GLY A 794 9.459 11.321 2.637 1.00 73.42 C ATOM 1360 O GLY A 794 10.335 12.138 2.921 1.00 40.31 O ATOM 0 H GLY A 794 7.367 9.111 3.575 1.00 43.24 H new ATOM 0 HA2 GLY A 794 9.729 10.288 4.492 1.00 75.12 H new ATOM 0 HA3 GLY A 794 9.551 9.234 3.103 1.00 75.12 H new ATOM 1364 N GLU A 795 8.705 11.408 1.544 1.00 32.15 N ATOM 1365 CA GLU A 795 8.867 12.490 0.576 1.00 31.12 C ATOM 1366 C GLU A 795 8.613 13.851 1.210 1.00 30.12 C ATOM 1367 O GLU A 795 9.204 14.846 0.804 1.00 62.53 O ATOM 1368 CB GLU A 795 7.940 12.298 -0.625 1.00 52.32 C ATOM 1369 CG GLU A 795 8.421 11.243 -1.609 1.00 33.04 C ATOM 1370 CD GLU A 795 9.797 11.555 -2.166 1.00 30.23 C ATOM 1371 OE1 GLU A 795 9.929 12.535 -2.931 1.00 70.44 O ATOM 1372 OE2 GLU A 795 10.756 10.828 -1.836 1.00 20.32 O ATOM 0 H GLU A 795 7.973 10.739 1.306 1.00 32.15 H new ATOM 0 HA GLU A 795 9.901 12.458 0.233 1.00 31.12 H new ATOM 0 HB2 GLU A 795 6.948 12.022 -0.266 1.00 52.32 H new ATOM 0 HB3 GLU A 795 7.836 13.249 -1.148 1.00 52.32 H new ATOM 0 HG2 GLU A 795 8.444 10.272 -1.114 1.00 33.04 H new ATOM 0 HG3 GLU A 795 7.709 11.165 -2.430 1.00 33.04 H new ATOM 1379 N ASN A 796 7.732 13.894 2.197 1.00 72.24 N ATOM 1380 CA ASN A 796 7.467 15.130 2.928 1.00 51.41 C ATOM 1381 C ASN A 796 8.689 15.545 3.735 1.00 52.54 C ATOM 1382 O ASN A 796 9.075 16.714 3.752 1.00 72.43 O ATOM 1383 CB ASN A 796 6.266 14.950 3.863 1.00 30.32 C ATOM 1384 CG ASN A 796 6.001 16.173 4.727 1.00 44.52 C ATOM 1385 OD1 ASN A 796 6.545 16.304 5.827 1.00 54.13 O ATOM 1386 ND2 ASN A 796 5.153 17.065 4.244 1.00 40.14 N ATOM 0 H ASN A 796 7.188 13.091 2.512 1.00 72.24 H new ATOM 0 HA ASN A 796 7.240 15.912 2.204 1.00 51.41 H new ATOM 0 HB2 ASN A 796 5.379 14.732 3.269 1.00 30.32 H new ATOM 0 HB3 ASN A 796 6.439 14.087 4.506 1.00 30.32 H new ATOM 0 HD21 ASN A 796 4.927 17.899 4.786 1.00 40.14 H new ATOM 0 HD22 ASN A 796 4.725 16.919 3.330 1.00 40.14 H new