USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 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 778 LYS NZ :NH3+ 176:sc= 1.19 (180deg=-0.0212) USER MOD Set 1.2: A 782 GLN : amide:sc= -0.22 K(o=0.97,f=-11!) USER MOD Set 2.1: A 775 HIS : no HE2:sc= 0.622 K(o=0.29,f=-5.2!) USER MOD Set 2.2: A 779 GLN : amide:sc= -0.333 K(o=0.29,f=-4.4!) USER MOD Single : A 722 TYR OH : rot -139:sc= 1.02 USER MOD Single : A 724 ASN :FLIP amide:sc= -0.0159 F(o=-1,f=-0.016) USER MOD Single : A 725 THR OG1 : rot 82:sc= 0.915 USER MOD Single : A 726 ASN : amide:sc= -0.912 K(o=-0.91,f=-1.9) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 745 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0469) USER MOD Single : A 749 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 750 SER OG : rot 180:sc= 0 USER MOD Single : A 754 HIS : no HD1:sc= -0.607 K(o=-0.61,f=-1.2) USER MOD Single : A 757 LYS NZ :NH3+ 171:sc= -2.89! (180deg=-3.15!) USER MOD Single : A 760 TYR OH : rot 150:sc= -0.0321 USER MOD Single : A 761 GLN : amide:sc= -1.77 X(o=-1.8,f=-2) USER MOD Single : A 763 LYS NZ :NH3+ -150:sc= 2.25 (180deg=0.926) USER MOD Single : A 773 CYS SG : rot 34:sc= 0.0131 USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ 158:sc= -0.187 (180deg=-0.673) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -2.55! C(o=-2.5!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.395 15.210 7.529 1.00 14.54 N ATOM 148 CA ILE A 716 1.050 13.930 7.290 1.00 45.44 C ATOM 149 C ILE A 716 1.012 13.049 8.539 1.00 21.41 C ATOM 150 O ILE A 716 1.110 11.822 8.453 1.00 63.31 O ATOM 151 CB ILE A 716 2.508 14.141 6.815 1.00 62.52 C ATOM 152 CG1 ILE A 716 2.525 14.917 5.497 1.00 13.03 C ATOM 153 CG2 ILE A 716 3.239 12.820 6.646 1.00 14.31 C ATOM 154 CD1 ILE A 716 1.757 14.235 4.381 1.00 43.00 C ATOM 0 HA ILE A 716 0.502 13.416 6.500 1.00 45.44 H new ATOM 0 HB ILE A 716 3.026 14.716 7.583 1.00 62.52 H new ATOM 0 HG12 ILE A 716 2.104 15.909 5.663 1.00 13.03 H new ATOM 0 HG13 ILE A 716 3.559 15.059 5.182 1.00 13.03 H new ATOM 0 HG21 ILE A 716 4.259 13.009 6.312 1.00 14.31 H new ATOM 0 HG22 ILE A 716 3.261 12.292 7.599 1.00 14.31 H new ATOM 0 HG23 ILE A 716 2.722 12.210 5.906 1.00 14.31 H new ATOM 0 HD11 ILE A 716 1.812 14.842 3.477 1.00 43.00 H new ATOM 0 HD12 ILE A 716 2.192 13.254 4.187 1.00 43.00 H new ATOM 0 HD13 ILE A 716 0.714 14.118 4.676 1.00 43.00 H new ATOM 166 N GLY A 717 0.827 13.679 9.694 1.00 22.40 N ATOM 167 CA GLY A 717 0.761 12.941 10.943 1.00 62.50 C ATOM 168 C GLY A 717 -0.346 11.900 10.947 1.00 35.25 C ATOM 169 O GLY A 717 -0.236 10.869 11.613 1.00 61.03 O ATOM 0 H GLY A 717 0.721 14.689 9.788 1.00 22.40 H new ATOM 0 HA2 GLY A 717 1.718 12.450 11.122 1.00 62.50 H new ATOM 0 HA3 GLY A 717 0.602 13.639 11.765 1.00 62.50 H new ATOM 173 N GLU A 718 -1.405 12.159 10.190 1.00 33.21 N ATOM 174 CA GLU A 718 -2.525 11.235 10.105 1.00 73.44 C ATOM 175 C GLU A 718 -2.131 9.954 9.381 1.00 41.24 C ATOM 176 O GLU A 718 -2.584 8.871 9.740 1.00 20.52 O ATOM 177 CB GLU A 718 -3.713 11.891 9.405 1.00 64.04 C ATOM 178 CG GLU A 718 -4.291 13.060 10.180 1.00 40.13 C ATOM 179 CD GLU A 718 -4.624 12.688 11.609 1.00 23.53 C ATOM 180 OE1 GLU A 718 -5.495 11.825 11.811 1.00 53.35 O ATOM 181 OE2 GLU A 718 -4.016 13.261 12.535 1.00 54.35 O ATOM 0 H GLU A 718 -1.510 13.003 9.626 1.00 33.21 H new ATOM 0 HA GLU A 718 -2.816 10.975 11.123 1.00 73.44 H new ATOM 0 HB2 GLU A 718 -3.401 12.236 8.419 1.00 64.04 H new ATOM 0 HB3 GLU A 718 -4.492 11.145 9.250 1.00 64.04 H new ATOM 0 HG2 GLU A 718 -3.578 13.884 10.177 1.00 40.13 H new ATOM 0 HG3 GLU A 718 -5.191 13.416 9.680 1.00 40.13 H new ATOM 188 N LEU A 719 -1.273 10.074 8.375 1.00 52.41 N ATOM 189 CA LEU A 719 -0.807 8.904 7.636 1.00 71.25 C ATOM 190 C LEU A 719 0.008 8.004 8.562 1.00 72.31 C ATOM 191 O LEU A 719 -0.035 6.779 8.453 1.00 51.14 O ATOM 192 CB LEU A 719 0.033 9.309 6.411 1.00 24.35 C ATOM 193 CG LEU A 719 -0.728 9.992 5.259 1.00 22.13 C ATOM 194 CD1 LEU A 719 -1.958 9.192 4.863 1.00 22.32 C ATOM 195 CD2 LEU A 719 -1.110 11.420 5.615 1.00 71.40 C ATOM 0 H LEU A 719 -0.887 10.962 8.053 1.00 52.41 H new ATOM 0 HA LEU A 719 -1.679 8.359 7.273 1.00 71.25 H new ATOM 0 HB2 LEU A 719 0.824 9.981 6.745 1.00 24.35 H new ATOM 0 HB3 LEU A 719 0.519 8.416 6.018 1.00 24.35 H new ATOM 0 HG LEU A 719 -0.055 10.028 4.402 1.00 22.13 H new ATOM 0 HD11 LEU A 719 -2.475 9.699 4.048 1.00 22.32 H new ATOM 0 HD12 LEU A 719 -1.655 8.197 4.538 1.00 22.32 H new ATOM 0 HD13 LEU A 719 -2.627 9.106 5.719 1.00 22.32 H new ATOM 0 HD21 LEU A 719 -1.645 11.872 4.780 1.00 71.40 H new ATOM 0 HD22 LEU A 719 -1.750 11.416 6.497 1.00 71.40 H new ATOM 0 HD23 LEU A 719 -0.209 11.997 5.823 1.00 71.40 H new ATOM 207 N VAL A 720 0.724 8.626 9.493 1.00 34.02 N ATOM 208 CA VAL A 720 1.483 7.894 10.501 1.00 70.43 C ATOM 209 C VAL A 720 0.528 7.144 11.433 1.00 33.10 C ATOM 210 O VAL A 720 0.800 6.017 11.846 1.00 62.42 O ATOM 211 CB VAL A 720 2.378 8.837 11.334 1.00 41.04 C ATOM 212 CG1 VAL A 720 3.229 8.051 12.320 1.00 24.14 C ATOM 213 CG2 VAL A 720 3.255 9.693 10.430 1.00 10.02 C ATOM 0 H VAL A 720 0.795 9.641 9.570 1.00 34.02 H new ATOM 0 HA VAL A 720 2.126 7.185 9.980 1.00 70.43 H new ATOM 0 HB VAL A 720 1.726 9.500 11.903 1.00 41.04 H new ATOM 0 HG11 VAL A 720 3.850 8.739 12.894 1.00 24.14 H new ATOM 0 HG12 VAL A 720 2.581 7.495 12.998 1.00 24.14 H new ATOM 0 HG13 VAL A 720 3.867 7.355 11.776 1.00 24.14 H new ATOM 0 HG21 VAL A 720 3.876 10.349 11.040 1.00 10.02 H new ATOM 0 HG22 VAL A 720 3.893 9.048 9.825 1.00 10.02 H new ATOM 0 HG23 VAL A 720 2.625 10.296 9.776 1.00 10.02 H new ATOM 223 N ARG A 721 -0.607 7.776 11.733 1.00 62.32 N ATOM 224 CA ARG A 721 -1.635 7.161 12.567 1.00 72.21 C ATOM 225 C ARG A 721 -2.146 5.874 11.912 1.00 25.43 C ATOM 226 O ARG A 721 -2.509 4.910 12.592 1.00 24.44 O ATOM 227 CB ARG A 721 -2.790 8.154 12.809 1.00 31.24 C ATOM 228 CG ARG A 721 -4.149 7.675 12.307 1.00 24.21 C ATOM 229 CD ARG A 721 -5.244 8.704 12.537 1.00 32.34 C ATOM 230 NE ARG A 721 -6.562 8.162 12.203 1.00 13.43 N ATOM 231 CZ ARG A 721 -7.552 8.860 11.641 1.00 53.55 C ATOM 232 NH1 ARG A 721 -7.392 10.137 11.324 1.00 72.00 N ATOM 233 NH2 ARG A 721 -8.716 8.270 11.398 1.00 52.34 N ATOM 0 H ARG A 721 -0.836 8.716 11.409 1.00 62.32 H new ATOM 0 HA ARG A 721 -1.201 6.903 13.533 1.00 72.21 H new ATOM 0 HB2 ARG A 721 -2.862 8.356 13.878 1.00 31.24 H new ATOM 0 HB3 ARG A 721 -2.549 9.099 12.322 1.00 31.24 H new ATOM 0 HG2 ARG A 721 -4.082 7.451 11.242 1.00 24.21 H new ATOM 0 HG3 ARG A 721 -4.414 6.746 12.813 1.00 24.21 H new ATOM 0 HD2 ARG A 721 -5.233 9.023 13.579 1.00 32.34 H new ATOM 0 HD3 ARG A 721 -5.048 9.588 11.931 1.00 32.34 H new ATOM 0 HE ARG A 721 -6.737 7.180 12.415 1.00 13.43 H new ATOM 0 HH11 ARG A 721 -6.503 10.601 11.509 1.00 72.00 H new ATOM 0 HH12 ARG A 721 -8.158 10.656 10.895 1.00 72.00 H new ATOM 0 HH21 ARG A 721 -8.851 7.288 11.640 1.00 52.34 H new ATOM 0 HH22 ARG A 721 -9.476 8.798 10.969 1.00 52.34 H new ATOM 247 N TYR A 722 -2.149 5.862 10.585 1.00 22.30 N ATOM 248 CA TYR A 722 -2.602 4.702 9.835 1.00 61.40 C ATOM 249 C TYR A 722 -1.525 3.629 9.774 1.00 14.43 C ATOM 250 O TYR A 722 -1.833 2.452 9.634 1.00 32.14 O ATOM 251 CB TYR A 722 -3.038 5.097 8.429 1.00 0.42 C ATOM 252 CG TYR A 722 -4.346 5.855 8.397 1.00 43.31 C ATOM 253 CD1 TYR A 722 -5.548 5.209 8.656 1.00 42.43 C ATOM 254 CD2 TYR A 722 -4.382 7.211 8.098 1.00 3.34 C ATOM 255 CE1 TYR A 722 -6.748 5.892 8.621 1.00 72.04 C ATOM 256 CE2 TYR A 722 -5.576 7.902 8.061 1.00 34.13 C ATOM 257 CZ TYR A 722 -6.759 7.239 8.323 1.00 54.42 C ATOM 258 OH TYR A 722 -7.957 7.920 8.293 1.00 34.34 O ATOM 0 H TYR A 722 -1.842 6.644 10.007 1.00 22.30 H new ATOM 0 HA TYR A 722 -3.463 4.289 10.360 1.00 61.40 H new ATOM 0 HB2 TYR A 722 -2.260 5.710 7.974 1.00 0.42 H new ATOM 0 HB3 TYR A 722 -3.132 4.198 7.820 1.00 0.42 H new ATOM 0 HD1 TYR A 722 -5.544 4.154 8.889 1.00 42.43 H new ATOM 0 HD2 TYR A 722 -3.460 7.733 7.891 1.00 3.34 H new ATOM 0 HE1 TYR A 722 -7.673 5.374 8.826 1.00 72.04 H new ATOM 0 HE2 TYR A 722 -5.585 8.957 7.828 1.00 34.13 H new ATOM 0 HH TYR A 722 -7.964 8.536 7.531 1.00 34.34 H new ATOM 268 N LEU A 723 -0.264 4.028 9.891 1.00 35.32 N ATOM 269 CA LEU A 723 0.832 3.062 9.937 1.00 53.24 C ATOM 270 C LEU A 723 0.711 2.185 11.176 1.00 22.05 C ATOM 271 O LEU A 723 1.131 1.028 11.177 1.00 71.45 O ATOM 272 CB LEU A 723 2.189 3.769 9.931 1.00 3.21 C ATOM 273 CG LEU A 723 2.593 4.397 8.598 1.00 63.11 C ATOM 274 CD1 LEU A 723 3.939 5.094 8.728 1.00 5.42 C ATOM 275 CD2 LEU A 723 2.646 3.336 7.508 1.00 62.03 C ATOM 0 H LEU A 723 0.026 5.004 9.955 1.00 35.32 H new ATOM 0 HA LEU A 723 0.766 2.436 9.047 1.00 53.24 H new ATOM 0 HB2 LEU A 723 2.177 4.549 10.692 1.00 3.21 H new ATOM 0 HB3 LEU A 723 2.955 3.051 10.222 1.00 3.21 H new ATOM 0 HG LEU A 723 1.844 5.140 8.322 1.00 63.11 H new ATOM 0 HD11 LEU A 723 4.214 5.537 7.770 1.00 5.42 H new ATOM 0 HD12 LEU A 723 3.872 5.877 9.484 1.00 5.42 H new ATOM 0 HD13 LEU A 723 4.697 4.369 9.023 1.00 5.42 H new ATOM 0 HD21 LEU A 723 2.935 3.798 6.564 1.00 62.03 H new ATOM 0 HD22 LEU A 723 3.377 2.574 7.778 1.00 62.03 H new ATOM 0 HD23 LEU A 723 1.664 2.875 7.401 1.00 62.03 H new ATOM 287 N ASN A 724 0.137 2.754 12.229 1.00 63.22 N ATOM 288 CA ASN A 724 -0.116 2.013 13.456 1.00 55.31 C ATOM 289 C ASN A 724 -1.442 1.265 13.374 1.00 33.13 C ATOM 290 O ASN A 724 -1.571 0.154 13.886 1.00 32.45 O ATOM 291 CB ASN A 724 -0.138 2.958 14.662 1.00 71.02 C ATOM 292 CG ASN A 724 1.222 3.551 14.983 1.00 53.14 C ATOM 293 OD1 ASN A 724 2.274 2.765 14.818 1.00 21.52 O flip ATOM 294 ND2 ASN A 724 1.319 4.701 15.410 1.00 65.43 N flip ATOM 0 H ASN A 724 -0.162 3.729 12.257 1.00 63.22 H new ATOM 0 HA ASN A 724 0.691 1.291 13.581 1.00 55.31 H new ATOM 0 HB2 ASN A 724 -0.843 3.766 14.469 1.00 71.02 H new ATOM 0 HB3 ASN A 724 -0.505 2.416 15.533 1.00 71.02 H new ATOM 0 HD21 ASN A 724 0.484 5.275 15.523 1.00 65.43 H new ATOM 0 HD22 ASN A 724 2.235 5.080 15.651 1.00 65.43 H new ATOM 301 N THR A 725 -2.418 1.874 12.716 1.00 5.13 N ATOM 302 CA THR A 725 -3.762 1.320 12.658 1.00 62.44 C ATOM 303 C THR A 725 -3.959 0.436 11.423 1.00 43.25 C ATOM 304 O THR A 725 -3.892 -0.790 11.509 1.00 11.20 O ATOM 305 CB THR A 725 -4.815 2.446 12.662 1.00 3.44 C ATOM 306 OG1 THR A 725 -4.556 3.345 13.751 1.00 53.41 O ATOM 307 CG2 THR A 725 -6.222 1.882 12.788 1.00 63.32 C ATOM 0 H THR A 725 -2.303 2.754 12.214 1.00 5.13 H new ATOM 0 HA THR A 725 -3.892 0.700 13.545 1.00 62.44 H new ATOM 0 HB THR A 725 -4.746 2.982 11.715 1.00 3.44 H new ATOM 0 HG1 THR A 725 -3.856 3.980 13.491 1.00 53.41 H new ATOM 0 HG21 THR A 725 -6.943 2.699 12.788 1.00 63.32 H new ATOM 0 HG22 THR A 725 -6.425 1.219 11.947 1.00 63.32 H new ATOM 0 HG23 THR A 725 -6.308 1.323 13.720 1.00 63.32 H new ATOM 315 N ASN A 726 -4.192 1.063 10.277 1.00 4.20 N ATOM 316 CA ASN A 726 -4.416 0.338 9.033 1.00 44.10 C ATOM 317 C ASN A 726 -3.851 1.122 7.858 1.00 73.05 C ATOM 318 O ASN A 726 -4.386 2.166 7.480 1.00 72.42 O ATOM 319 CB ASN A 726 -5.909 0.081 8.814 1.00 74.13 C ATOM 320 CG ASN A 726 -6.198 -0.586 7.479 1.00 64.31 C ATOM 321 OD1 ASN A 726 -5.395 -1.366 6.968 1.00 63.32 O ATOM 322 ND2 ASN A 726 -7.339 -0.260 6.896 1.00 65.31 N ATOM 0 H ASN A 726 -4.231 2.078 10.183 1.00 4.20 H new ATOM 0 HA ASN A 726 -3.904 -0.622 9.103 1.00 44.10 H new ATOM 0 HB2 ASN A 726 -6.288 -0.548 9.620 1.00 74.13 H new ATOM 0 HB3 ASN A 726 -6.448 1.027 8.868 1.00 74.13 H new ATOM 0 HD21 ASN A 726 -7.581 -0.659 5.989 1.00 65.31 H new ATOM 0 HD22 ASN A 726 -7.978 0.391 7.353 1.00 65.31 H new ATOM 329 N PRO A 727 -2.752 0.629 7.274 1.00 53.40 N ATOM 330 CA PRO A 727 -2.086 1.294 6.154 1.00 62.33 C ATOM 331 C PRO A 727 -2.990 1.422 4.932 1.00 22.34 C ATOM 332 O PRO A 727 -2.942 2.424 4.217 1.00 23.21 O ATOM 333 CB PRO A 727 -0.890 0.384 5.847 1.00 53.45 C ATOM 334 CG PRO A 727 -1.224 -0.928 6.468 1.00 41.00 C ATOM 335 CD PRO A 727 -2.066 -0.612 7.669 1.00 55.20 C ATOM 0 HA PRO A 727 -1.802 2.316 6.404 1.00 62.33 H new ATOM 0 HB2 PRO A 727 -0.738 0.283 4.772 1.00 53.45 H new ATOM 0 HB3 PRO A 727 0.031 0.792 6.262 1.00 53.45 H new ATOM 0 HG2 PRO A 727 -1.765 -1.565 5.768 1.00 41.00 H new ATOM 0 HG3 PRO A 727 -0.320 -1.466 6.755 1.00 41.00 H new ATOM 0 HD2 PRO A 727 -2.773 -1.412 7.888 1.00 55.20 H new ATOM 0 HD3 PRO A 727 -1.458 -0.470 8.562 1.00 55.20 H new ATOM 343 N VAL A 728 -3.828 0.411 4.711 1.00 25.23 N ATOM 344 CA VAL A 728 -4.716 0.389 3.553 1.00 33.00 C ATOM 345 C VAL A 728 -5.700 1.552 3.609 1.00 53.32 C ATOM 346 O VAL A 728 -5.870 2.283 2.632 1.00 2.10 O ATOM 347 CB VAL A 728 -5.496 -0.940 3.463 1.00 1.15 C ATOM 348 CG1 VAL A 728 -6.377 -0.970 2.222 1.00 74.11 C ATOM 349 CG2 VAL A 728 -4.542 -2.123 3.470 1.00 52.43 C ATOM 0 H VAL A 728 -3.910 -0.403 5.320 1.00 25.23 H new ATOM 0 HA VAL A 728 -4.092 0.485 2.665 1.00 33.00 H new ATOM 0 HB VAL A 728 -6.141 -1.013 4.339 1.00 1.15 H new ATOM 0 HG11 VAL A 728 -6.916 -1.916 2.181 1.00 74.11 H new ATOM 0 HG12 VAL A 728 -7.091 -0.147 2.263 1.00 74.11 H new ATOM 0 HG13 VAL A 728 -5.756 -0.868 1.332 1.00 74.11 H new ATOM 0 HG21 VAL A 728 -5.112 -3.050 3.406 1.00 52.43 H new ATOM 0 HG22 VAL A 728 -3.868 -2.052 2.617 1.00 52.43 H new ATOM 0 HG23 VAL A 728 -3.962 -2.117 4.393 1.00 52.43 H new ATOM 359 N GLY A 729 -6.324 1.729 4.768 1.00 51.31 N ATOM 360 CA GLY A 729 -7.263 2.818 4.947 1.00 62.33 C ATOM 361 C GLY A 729 -6.594 4.168 4.818 1.00 63.13 C ATOM 362 O GLY A 729 -7.199 5.122 4.331 1.00 72.31 O ATOM 0 H GLY A 729 -6.195 1.136 5.588 1.00 51.31 H new ATOM 0 HA2 GLY A 729 -8.059 2.736 4.207 1.00 62.33 H new ATOM 0 HA3 GLY A 729 -7.730 2.737 5.929 1.00 62.33 H new ATOM 366 N GLY A 730 -5.338 4.238 5.242 1.00 24.30 N ATOM 367 CA GLY A 730 -4.584 5.475 5.161 1.00 23.25 C ATOM 368 C GLY A 730 -4.210 5.842 3.742 1.00 74.14 C ATOM 369 O GLY A 730 -4.292 7.006 3.355 1.00 23.20 O ATOM 0 H GLY A 730 -4.825 3.453 5.644 1.00 24.30 H new ATOM 0 HA2 GLY A 730 -5.172 6.283 5.597 1.00 23.25 H new ATOM 0 HA3 GLY A 730 -3.677 5.382 5.758 1.00 23.25 H new ATOM 373 N LEU A 731 -3.801 4.849 2.964 1.00 40.21 N ATOM 374 CA LEU A 731 -3.444 5.068 1.566 1.00 32.13 C ATOM 375 C LEU A 731 -4.676 5.534 0.793 1.00 32.41 C ATOM 376 O LEU A 731 -4.597 6.424 -0.057 1.00 11.10 O ATOM 377 CB LEU A 731 -2.859 3.770 0.979 1.00 62.44 C ATOM 378 CG LEU A 731 -2.165 3.882 -0.386 1.00 42.33 C ATOM 379 CD1 LEU A 731 -3.178 3.829 -1.517 1.00 52.21 C ATOM 380 CD2 LEU A 731 -1.343 5.160 -0.469 1.00 12.10 C ATOM 0 H LEU A 731 -3.708 3.882 3.276 1.00 40.21 H new ATOM 0 HA LEU A 731 -2.685 5.846 1.486 1.00 32.13 H new ATOM 0 HB2 LEU A 731 -2.141 3.367 1.693 1.00 62.44 H new ATOM 0 HB3 LEU A 731 -3.666 3.042 0.892 1.00 62.44 H new ATOM 0 HG LEU A 731 -1.492 3.031 -0.491 1.00 42.33 H new ATOM 0 HD11 LEU A 731 -2.661 3.910 -2.473 1.00 52.21 H new ATOM 0 HD12 LEU A 731 -3.719 2.884 -1.477 1.00 52.21 H new ATOM 0 HD13 LEU A 731 -3.882 4.655 -1.414 1.00 52.21 H new ATOM 0 HD21 LEU A 731 -0.860 5.219 -1.444 1.00 12.10 H new ATOM 0 HD22 LEU A 731 -1.996 6.022 -0.335 1.00 12.10 H new ATOM 0 HD23 LEU A 731 -0.583 5.155 0.313 1.00 12.10 H new ATOM 392 N LEU A 732 -5.821 4.949 1.122 1.00 11.31 N ATOM 393 CA LEU A 732 -7.085 5.356 0.525 1.00 35.41 C ATOM 394 C LEU A 732 -7.488 6.746 1.017 1.00 34.20 C ATOM 395 O LEU A 732 -8.078 7.526 0.276 1.00 13.41 O ATOM 396 CB LEU A 732 -8.181 4.339 0.856 1.00 43.31 C ATOM 397 CG LEU A 732 -7.944 2.929 0.308 1.00 53.43 C ATOM 398 CD1 LEU A 732 -9.018 1.975 0.803 1.00 21.21 C ATOM 399 CD2 LEU A 732 -7.912 2.944 -1.213 1.00 2.02 C ATOM 0 H LEU A 732 -5.899 4.191 1.800 1.00 11.31 H new ATOM 0 HA LEU A 732 -6.958 5.395 -0.557 1.00 35.41 H new ATOM 0 HB2 LEU A 732 -8.284 4.279 1.939 1.00 43.31 H new ATOM 0 HB3 LEU A 732 -9.129 4.709 0.466 1.00 43.31 H new ATOM 0 HG LEU A 732 -6.977 2.581 0.671 1.00 53.43 H new ATOM 0 HD11 LEU A 732 -8.832 0.978 0.403 1.00 21.21 H new ATOM 0 HD12 LEU A 732 -8.998 1.938 1.892 1.00 21.21 H new ATOM 0 HD13 LEU A 732 -9.996 2.323 0.470 1.00 21.21 H new ATOM 0 HD21 LEU A 732 -7.743 1.933 -1.583 1.00 2.02 H new ATOM 0 HD22 LEU A 732 -8.864 3.315 -1.593 1.00 2.02 H new ATOM 0 HD23 LEU A 732 -7.107 3.595 -1.554 1.00 2.02 H new ATOM 411 N GLU A 733 -7.145 7.052 2.266 1.00 0.43 N ATOM 412 CA GLU A 733 -7.453 8.322 2.877 1.00 71.04 C ATOM 413 C GLU A 733 -6.654 9.440 2.213 1.00 72.41 C ATOM 414 O GLU A 733 -7.206 10.476 1.833 1.00 25.44 O ATOM 415 CB GLU A 733 -7.113 8.204 4.354 1.00 72.53 C ATOM 416 CG GLU A 733 -6.999 9.515 5.072 1.00 23.21 C ATOM 417 CD GLU A 733 -8.342 10.109 5.438 1.00 52.44 C ATOM 418 OE1 GLU A 733 -8.844 9.810 6.541 1.00 71.01 O ATOM 419 OE2 GLU A 733 -8.902 10.876 4.631 1.00 73.21 O ATOM 0 H GLU A 733 -6.641 6.412 2.880 1.00 0.43 H new ATOM 0 HA GLU A 733 -8.507 8.569 2.753 1.00 71.04 H new ATOM 0 HB2 GLU A 733 -7.878 7.602 4.843 1.00 72.53 H new ATOM 0 HB3 GLU A 733 -6.171 7.666 4.455 1.00 72.53 H new ATOM 0 HG2 GLU A 733 -6.410 9.376 5.979 1.00 23.21 H new ATOM 0 HG3 GLU A 733 -6.455 10.221 4.444 1.00 23.21 H new ATOM 426 N TYR A 734 -5.358 9.212 2.065 1.00 53.42 N ATOM 427 CA TYR A 734 -4.479 10.151 1.392 1.00 63.32 C ATOM 428 C TYR A 734 -5.003 10.472 -0.005 1.00 42.14 C ATOM 429 O TYR A 734 -5.090 11.635 -0.395 1.00 11.15 O ATOM 430 CB TYR A 734 -3.063 9.569 1.316 1.00 70.45 C ATOM 431 CG TYR A 734 -2.204 10.164 0.224 1.00 10.22 C ATOM 432 CD1 TYR A 734 -1.480 11.331 0.426 1.00 42.30 C ATOM 433 CD2 TYR A 734 -2.127 9.550 -1.017 1.00 42.52 C ATOM 434 CE1 TYR A 734 -0.700 11.867 -0.581 1.00 41.24 C ATOM 435 CE2 TYR A 734 -1.354 10.078 -2.028 1.00 32.01 C ATOM 436 CZ TYR A 734 -0.640 11.238 -1.807 1.00 32.21 C ATOM 437 OH TYR A 734 0.137 11.768 -2.815 1.00 1.41 O ATOM 0 H TYR A 734 -4.889 8.373 2.407 1.00 53.42 H new ATOM 0 HA TYR A 734 -4.450 11.079 1.962 1.00 63.32 H new ATOM 0 HB2 TYR A 734 -2.568 9.721 2.275 1.00 70.45 H new ATOM 0 HB3 TYR A 734 -3.133 8.492 1.161 1.00 70.45 H new ATOM 0 HD1 TYR A 734 -1.527 11.827 1.384 1.00 42.30 H new ATOM 0 HD2 TYR A 734 -2.683 8.641 -1.194 1.00 42.52 H new ATOM 0 HE1 TYR A 734 -0.140 12.774 -0.409 1.00 41.24 H new ATOM 0 HE2 TYR A 734 -1.307 9.587 -2.989 1.00 32.01 H new ATOM 0 HH TYR A 734 0.069 11.202 -3.612 1.00 1.41 H new ATOM 447 N ALA A 735 -5.370 9.436 -0.744 1.00 61.21 N ATOM 448 CA ALA A 735 -5.837 9.608 -2.107 1.00 61.42 C ATOM 449 C ALA A 735 -7.172 10.337 -2.134 1.00 70.23 C ATOM 450 O ALA A 735 -7.328 11.326 -2.845 1.00 64.14 O ATOM 451 CB ALA A 735 -5.946 8.264 -2.805 1.00 43.23 C ATOM 0 H ALA A 735 -5.353 8.469 -0.421 1.00 61.21 H new ATOM 0 HA ALA A 735 -5.109 10.217 -2.643 1.00 61.42 H new ATOM 0 HB1 ALA A 735 -6.298 8.412 -3.826 1.00 43.23 H new ATOM 0 HB2 ALA A 735 -4.968 7.783 -2.824 1.00 43.23 H new ATOM 0 HB3 ALA A 735 -6.651 7.631 -2.267 1.00 43.23 H new ATOM 457 N ARG A 736 -8.114 9.867 -1.329 1.00 12.13 N ATOM 458 CA ARG A 736 -9.468 10.417 -1.317 1.00 53.44 C ATOM 459 C ARG A 736 -9.460 11.898 -0.942 1.00 63.14 C ATOM 460 O ARG A 736 -10.208 12.696 -1.506 1.00 64.33 O ATOM 461 CB ARG A 736 -10.346 9.621 -0.344 1.00 42.32 C ATOM 462 CG ARG A 736 -10.092 9.925 1.125 1.00 12.45 C ATOM 463 CD ARG A 736 -10.862 8.992 2.044 1.00 4.40 C ATOM 464 NE ARG A 736 -12.307 9.192 1.957 1.00 23.20 N ATOM 465 CZ ARG A 736 -13.190 8.587 2.751 1.00 43.43 C ATOM 466 NH1 ARG A 736 -12.778 7.722 3.672 1.00 2.23 N ATOM 467 NH2 ARG A 736 -14.485 8.844 2.621 1.00 42.14 N ATOM 0 H ARG A 736 -7.967 9.102 -0.671 1.00 12.13 H new ATOM 0 HA ARG A 736 -9.882 10.332 -2.322 1.00 53.44 H new ATOM 0 HB2 ARG A 736 -11.393 9.825 -0.569 1.00 42.32 H new ATOM 0 HB3 ARG A 736 -10.184 8.557 -0.515 1.00 42.32 H new ATOM 0 HG2 ARG A 736 -9.026 9.839 1.333 1.00 12.45 H new ATOM 0 HG3 ARG A 736 -10.376 10.956 1.336 1.00 12.45 H new ATOM 0 HD2 ARG A 736 -10.625 7.959 1.790 1.00 4.40 H new ATOM 0 HD3 ARG A 736 -10.537 9.150 3.072 1.00 4.40 H new ATOM 0 HE ARG A 736 -12.661 9.833 1.246 1.00 23.20 H new ATOM 0 HH11 ARG A 736 -11.783 7.519 3.773 1.00 2.23 H new ATOM 0 HH12 ARG A 736 -13.456 7.261 4.278 1.00 2.23 H new ATOM 0 HH21 ARG A 736 -14.805 9.505 1.913 1.00 42.14 H new ATOM 0 HH22 ARG A 736 -15.160 8.381 3.229 1.00 42.14 H new ATOM 481 N SER A 737 -8.598 12.257 -0.004 1.00 13.14 N ATOM 482 CA SER A 737 -8.520 13.625 0.482 1.00 33.54 C ATOM 483 C SER A 737 -7.776 14.521 -0.508 1.00 64.13 C ATOM 484 O SER A 737 -8.046 15.718 -0.595 1.00 73.53 O ATOM 485 CB SER A 737 -7.832 13.652 1.851 1.00 70.45 C ATOM 486 OG SER A 737 -7.816 14.960 2.400 1.00 62.53 O ATOM 0 H SER A 737 -7.939 11.616 0.438 1.00 13.14 H new ATOM 0 HA SER A 737 -9.534 14.012 0.584 1.00 33.54 H new ATOM 0 HB2 SER A 737 -8.349 12.977 2.533 1.00 70.45 H new ATOM 0 HB3 SER A 737 -6.810 13.285 1.753 1.00 70.45 H new ATOM 0 HG SER A 737 -7.372 14.943 3.273 1.00 62.53 H new ATOM 492 N HIS A 738 -6.851 13.940 -1.263 1.00 35.32 N ATOM 493 CA HIS A 738 -6.026 14.719 -2.185 1.00 64.25 C ATOM 494 C HIS A 738 -6.603 14.705 -3.597 1.00 61.52 C ATOM 495 O HIS A 738 -6.126 15.415 -4.479 1.00 1.24 O ATOM 496 CB HIS A 738 -4.587 14.197 -2.196 1.00 14.12 C ATOM 497 CG HIS A 738 -3.817 14.500 -0.943 1.00 60.23 C ATOM 498 ND1 HIS A 738 -2.478 14.820 -0.941 1.00 33.21 N ATOM 499 CD2 HIS A 738 -4.197 14.502 0.359 1.00 64.22 C ATOM 500 CE1 HIS A 738 -2.070 15.002 0.300 1.00 3.10 C ATOM 501 NE2 HIS A 738 -3.093 14.817 1.106 1.00 1.23 N ATOM 0 H HIS A 738 -6.652 12.940 -1.257 1.00 35.32 H new ATOM 0 HA HIS A 738 -6.023 15.750 -1.832 1.00 64.25 H new ATOM 0 HB2 HIS A 738 -4.604 13.118 -2.347 1.00 14.12 H new ATOM 0 HB3 HIS A 738 -4.061 14.630 -3.047 1.00 14.12 H new ATOM 0 HD2 HIS A 738 -5.187 14.294 0.737 1.00 64.22 H new ATOM 0 HE1 HIS A 738 -1.066 15.259 0.603 1.00 3.10 H new ATOM 0 HE2 HIS A 738 -3.068 14.895 2.123 1.00 1.23 H new ATOM 510 N GLY A 739 -7.622 13.885 -3.810 1.00 73.51 N ATOM 511 CA GLY A 739 -8.287 13.850 -5.098 1.00 61.24 C ATOM 512 C GLY A 739 -7.728 12.791 -6.028 1.00 25.13 C ATOM 513 O GLY A 739 -8.049 12.770 -7.215 1.00 33.33 O ATOM 0 H GLY A 739 -8.001 13.243 -3.114 1.00 73.51 H new ATOM 0 HA2 GLY A 739 -9.351 13.667 -4.946 1.00 61.24 H new ATOM 0 HA3 GLY A 739 -8.197 14.827 -5.573 1.00 61.24 H new ATOM 517 N PHE A 740 -6.893 11.910 -5.497 1.00 43.33 N ATOM 518 CA PHE A 740 -6.324 10.830 -6.293 1.00 12.05 C ATOM 519 C PHE A 740 -7.167 9.569 -6.171 1.00 33.42 C ATOM 520 O PHE A 740 -7.960 9.425 -5.241 1.00 41.11 O ATOM 521 CB PHE A 740 -4.891 10.523 -5.858 1.00 61.11 C ATOM 522 CG PHE A 740 -3.924 11.636 -6.124 1.00 3.12 C ATOM 523 CD1 PHE A 740 -3.495 11.904 -7.412 1.00 32.43 C ATOM 524 CD2 PHE A 740 -3.444 12.412 -5.084 1.00 1.11 C ATOM 525 CE1 PHE A 740 -2.601 12.928 -7.658 1.00 31.12 C ATOM 526 CE2 PHE A 740 -2.551 13.436 -5.323 1.00 13.41 C ATOM 527 CZ PHE A 740 -2.128 13.695 -6.612 1.00 72.12 C ATOM 0 H PHE A 740 -6.595 11.920 -4.522 1.00 43.33 H new ATOM 0 HA PHE A 740 -6.316 11.159 -7.332 1.00 12.05 H new ATOM 0 HB2 PHE A 740 -4.886 10.298 -4.792 1.00 61.11 H new ATOM 0 HB3 PHE A 740 -4.549 9.626 -6.375 1.00 61.11 H new ATOM 0 HD1 PHE A 740 -3.863 11.307 -8.233 1.00 32.43 H new ATOM 0 HD2 PHE A 740 -3.772 12.214 -4.074 1.00 1.11 H new ATOM 0 HE1 PHE A 740 -2.273 13.128 -8.667 1.00 31.12 H new ATOM 0 HE2 PHE A 740 -2.183 14.035 -4.503 1.00 13.41 H new ATOM 0 HZ PHE A 740 -1.429 14.496 -6.801 1.00 72.12 H new ATOM 537 N ALA A 741 -6.983 8.661 -7.113 1.00 72.24 N ATOM 538 CA ALA A 741 -7.663 7.381 -7.083 1.00 71.41 C ATOM 539 C ALA A 741 -6.676 6.287 -6.709 1.00 33.33 C ATOM 540 O ALA A 741 -5.740 6.005 -7.459 1.00 13.23 O ATOM 541 CB ALA A 741 -8.309 7.086 -8.427 1.00 22.34 C ATOM 0 H ALA A 741 -6.363 8.789 -7.913 1.00 72.24 H new ATOM 0 HA ALA A 741 -8.453 7.416 -6.333 1.00 71.41 H new ATOM 0 HB1 ALA A 741 -8.814 6.121 -8.384 1.00 22.34 H new ATOM 0 HB2 ALA A 741 -9.034 7.865 -8.661 1.00 22.34 H new ATOM 0 HB3 ALA A 741 -7.542 7.060 -9.201 1.00 22.34 H new ATOM 547 N ALA A 742 -6.871 5.701 -5.540 1.00 14.44 N ATOM 548 CA ALA A 742 -5.985 4.661 -5.051 1.00 30.15 C ATOM 549 C ALA A 742 -6.562 3.286 -5.341 1.00 44.41 C ATOM 550 O ALA A 742 -7.706 2.997 -4.991 1.00 72.42 O ATOM 551 CB ALA A 742 -5.748 4.830 -3.560 1.00 33.12 C ATOM 0 H ALA A 742 -7.640 5.930 -4.910 1.00 14.44 H new ATOM 0 HA ALA A 742 -5.031 4.749 -5.570 1.00 30.15 H new ATOM 0 HB1 ALA A 742 -5.082 4.043 -3.206 1.00 33.12 H new ATOM 0 HB2 ALA A 742 -5.293 5.803 -3.372 1.00 33.12 H new ATOM 0 HB3 ALA A 742 -6.699 4.766 -3.031 1.00 33.12 H new ATOM 557 N GLU A 743 -5.774 2.443 -5.983 1.00 64.04 N ATOM 558 CA GLU A 743 -6.217 1.103 -6.319 1.00 32.51 C ATOM 559 C GLU A 743 -5.088 0.099 -6.116 1.00 4.22 C ATOM 560 O GLU A 743 -3.925 0.382 -6.412 1.00 62.11 O ATOM 561 CB GLU A 743 -6.741 1.059 -7.759 1.00 30.24 C ATOM 562 CG GLU A 743 -5.742 1.549 -8.795 1.00 31.21 C ATOM 563 CD GLU A 743 -6.327 1.618 -10.190 1.00 1.24 C ATOM 564 OE1 GLU A 743 -6.638 0.554 -10.764 1.00 51.21 O ATOM 565 OE2 GLU A 743 -6.462 2.739 -10.733 1.00 1.24 O ATOM 0 H GLU A 743 -4.824 2.663 -6.282 1.00 64.04 H new ATOM 0 HA GLU A 743 -7.034 0.829 -5.652 1.00 32.51 H new ATOM 0 HB2 GLU A 743 -7.026 0.035 -8.000 1.00 30.24 H new ATOM 0 HB3 GLU A 743 -7.644 1.665 -7.825 1.00 30.24 H new ATOM 0 HG2 GLU A 743 -5.383 2.537 -8.508 1.00 31.21 H new ATOM 0 HG3 GLU A 743 -4.877 0.885 -8.801 1.00 31.21 H new ATOM 572 N PHE A 744 -5.440 -1.063 -5.590 1.00 51.20 N ATOM 573 CA PHE A 744 -4.471 -2.113 -5.323 1.00 2.14 C ATOM 574 C PHE A 744 -4.658 -3.246 -6.314 1.00 32.41 C ATOM 575 O PHE A 744 -5.698 -3.905 -6.316 1.00 23.21 O ATOM 576 CB PHE A 744 -4.635 -2.653 -3.897 1.00 4.21 C ATOM 577 CG PHE A 744 -4.348 -1.648 -2.819 1.00 24.13 C ATOM 578 CD1 PHE A 744 -5.317 -0.744 -2.415 1.00 61.35 C ATOM 579 CD2 PHE A 744 -3.109 -1.617 -2.202 1.00 51.33 C ATOM 580 CE1 PHE A 744 -5.055 0.175 -1.417 1.00 0.52 C ATOM 581 CE2 PHE A 744 -2.839 -0.702 -1.203 1.00 71.54 C ATOM 582 CZ PHE A 744 -3.815 0.196 -0.811 1.00 74.02 C ATOM 0 H PHE A 744 -6.399 -1.304 -5.338 1.00 51.20 H new ATOM 0 HA PHE A 744 -3.471 -1.693 -5.427 1.00 2.14 H new ATOM 0 HB2 PHE A 744 -5.654 -3.019 -3.775 1.00 4.21 H new ATOM 0 HB3 PHE A 744 -3.972 -3.508 -3.766 1.00 4.21 H new ATOM 0 HD1 PHE A 744 -6.289 -0.758 -2.886 1.00 61.35 H new ATOM 0 HD2 PHE A 744 -2.344 -2.317 -2.505 1.00 51.33 H new ATOM 0 HE1 PHE A 744 -5.819 0.875 -1.112 1.00 0.52 H new ATOM 0 HE2 PHE A 744 -1.868 -0.688 -0.729 1.00 71.54 H new ATOM 0 HZ PHE A 744 -3.607 0.913 -0.031 1.00 74.02 H new ATOM 592 N LYS A 745 -3.671 -3.472 -7.161 1.00 53.40 N ATOM 593 CA LYS A 745 -3.775 -4.530 -8.149 1.00 34.41 C ATOM 594 C LYS A 745 -2.656 -5.546 -7.986 1.00 11.41 C ATOM 595 O LYS A 745 -1.557 -5.216 -7.532 1.00 44.13 O ATOM 596 CB LYS A 745 -3.757 -3.962 -9.570 1.00 31.14 C ATOM 597 CG LYS A 745 -2.469 -3.251 -9.951 1.00 43.44 C ATOM 598 CD LYS A 745 -2.428 -2.986 -11.445 1.00 1.55 C ATOM 599 CE LYS A 745 -3.557 -2.064 -11.870 1.00 25.31 C ATOM 600 NZ LYS A 745 -3.703 -2.006 -13.346 1.00 73.41 N ATOM 0 H LYS A 745 -2.798 -2.945 -7.186 1.00 53.40 H new ATOM 0 HA LYS A 745 -4.728 -5.032 -7.986 1.00 34.41 H new ATOM 0 HB2 LYS A 745 -3.930 -4.776 -10.275 1.00 31.14 H new ATOM 0 HB3 LYS A 745 -4.588 -3.265 -9.679 1.00 31.14 H new ATOM 0 HG2 LYS A 745 -2.392 -2.310 -9.407 1.00 43.44 H new ATOM 0 HG3 LYS A 745 -1.612 -3.858 -9.660 1.00 43.44 H new ATOM 0 HD2 LYS A 745 -1.470 -2.539 -11.712 1.00 1.55 H new ATOM 0 HD3 LYS A 745 -2.502 -3.929 -11.987 1.00 1.55 H new ATOM 0 HE2 LYS A 745 -4.492 -2.407 -11.427 1.00 25.31 H new ATOM 0 HE3 LYS A 745 -3.371 -1.062 -11.485 1.00 25.31 H new ATOM 0 HZ1 LYS A 745 -4.415 -1.290 -13.597 1.00 73.41 H new ATOM 0 HZ2 LYS A 745 -2.791 -1.752 -13.775 1.00 73.41 H new ATOM 0 HZ3 LYS A 745 -4.006 -2.935 -13.702 1.00 73.41 H new ATOM 614 N LEU A 746 -2.951 -6.783 -8.346 1.00 24.01 N ATOM 615 CA LEU A 746 -1.970 -7.846 -8.305 1.00 32.10 C ATOM 616 C LEU A 746 -1.265 -7.950 -9.650 1.00 52.31 C ATOM 617 O LEU A 746 -1.895 -8.232 -10.673 1.00 11.23 O ATOM 618 CB LEU A 746 -2.647 -9.171 -7.949 1.00 30.52 C ATOM 619 CG LEU A 746 -1.723 -10.387 -7.900 1.00 42.33 C ATOM 620 CD1 LEU A 746 -0.631 -10.188 -6.865 1.00 50.53 C ATOM 621 CD2 LEU A 746 -2.523 -11.640 -7.596 1.00 11.12 C ATOM 0 H LEU A 746 -3.872 -7.075 -8.673 1.00 24.01 H new ATOM 0 HA LEU A 746 -1.228 -7.621 -7.539 1.00 32.10 H new ATOM 0 HB2 LEU A 746 -3.130 -9.063 -6.978 1.00 30.52 H new ATOM 0 HB3 LEU A 746 -3.435 -9.364 -8.677 1.00 30.52 H new ATOM 0 HG LEU A 746 -1.250 -10.503 -8.875 1.00 42.33 H new ATOM 0 HD11 LEU A 746 0.016 -11.065 -6.846 1.00 50.53 H new ATOM 0 HD12 LEU A 746 -0.042 -9.308 -7.122 1.00 50.53 H new ATOM 0 HD13 LEU A 746 -1.082 -10.048 -5.883 1.00 50.53 H new ATOM 0 HD21 LEU A 746 -1.854 -12.500 -7.564 1.00 11.12 H new ATOM 0 HD22 LEU A 746 -3.019 -11.530 -6.632 1.00 11.12 H new ATOM 0 HD23 LEU A 746 -3.271 -11.792 -8.374 1.00 11.12 H new ATOM 633 N VAL A 747 0.035 -7.705 -9.645 1.00 15.42 N ATOM 634 CA VAL A 747 0.823 -7.735 -10.866 1.00 13.41 C ATOM 635 C VAL A 747 1.151 -9.171 -11.254 1.00 2.24 C ATOM 636 O VAL A 747 0.974 -9.570 -12.405 1.00 22.22 O ATOM 637 CB VAL A 747 2.134 -6.933 -10.708 1.00 12.12 C ATOM 638 CG1 VAL A 747 2.917 -6.909 -12.013 1.00 30.14 C ATOM 639 CG2 VAL A 747 1.841 -5.519 -10.234 1.00 51.23 C ATOM 0 H VAL A 747 0.569 -7.482 -8.805 1.00 15.42 H new ATOM 0 HA VAL A 747 0.226 -7.274 -11.653 1.00 13.41 H new ATOM 0 HB VAL A 747 2.746 -7.429 -9.955 1.00 12.12 H new ATOM 0 HG11 VAL A 747 3.836 -6.338 -11.876 1.00 30.14 H new ATOM 0 HG12 VAL A 747 3.164 -7.929 -12.308 1.00 30.14 H new ATOM 0 HG13 VAL A 747 2.313 -6.442 -12.791 1.00 30.14 H new ATOM 0 HG21 VAL A 747 2.776 -4.969 -10.128 1.00 51.23 H new ATOM 0 HG22 VAL A 747 1.205 -5.016 -10.962 1.00 51.23 H new ATOM 0 HG23 VAL A 747 1.332 -5.556 -9.271 1.00 51.23 H new ATOM 649 N ASP A 748 1.612 -9.953 -10.288 1.00 33.41 N ATOM 650 CA ASP A 748 1.975 -11.343 -10.551 1.00 32.12 C ATOM 651 C ASP A 748 1.871 -12.184 -9.287 1.00 32.44 C ATOM 652 O ASP A 748 2.093 -11.690 -8.185 1.00 23.42 O ATOM 653 CB ASP A 748 3.394 -11.424 -11.123 1.00 31.13 C ATOM 654 CG ASP A 748 3.824 -12.845 -11.440 1.00 55.23 C ATOM 655 OD1 ASP A 748 3.161 -13.505 -12.268 1.00 50.32 O ATOM 656 OD2 ASP A 748 4.843 -13.298 -10.885 1.00 21.12 O ATOM 0 H ASP A 748 1.744 -9.654 -9.322 1.00 33.41 H new ATOM 0 HA ASP A 748 1.274 -11.741 -11.284 1.00 32.12 H new ATOM 0 HB2 ASP A 748 3.449 -10.822 -12.030 1.00 31.13 H new ATOM 0 HB3 ASP A 748 4.093 -10.989 -10.409 1.00 31.13 H new ATOM 661 N GLN A 749 1.515 -13.447 -9.455 1.00 44.10 N ATOM 662 CA GLN A 749 1.420 -14.381 -8.344 1.00 53.35 C ATOM 663 C GLN A 749 2.188 -15.658 -8.673 1.00 40.55 C ATOM 664 O GLN A 749 1.788 -16.435 -9.545 1.00 1.21 O ATOM 665 CB GLN A 749 -0.052 -14.685 -8.021 1.00 25.12 C ATOM 666 CG GLN A 749 -0.865 -15.169 -9.213 1.00 40.13 C ATOM 667 CD GLN A 749 -2.345 -15.291 -8.907 1.00 73.11 C ATOM 668 OE1 GLN A 749 -3.106 -14.343 -9.081 1.00 60.12 O ATOM 669 NE2 GLN A 749 -2.766 -16.464 -8.464 1.00 32.31 N ATOM 0 H GLN A 749 1.284 -13.853 -10.362 1.00 44.10 H new ATOM 0 HA GLN A 749 1.868 -13.929 -7.459 1.00 53.35 H new ATOM 0 HB2 GLN A 749 -0.092 -15.441 -7.237 1.00 25.12 H new ATOM 0 HB3 GLN A 749 -0.518 -13.785 -7.619 1.00 25.12 H new ATOM 0 HG2 GLN A 749 -0.727 -14.479 -10.045 1.00 40.13 H new ATOM 0 HG3 GLN A 749 -0.485 -16.138 -9.536 1.00 40.13 H new ATOM 0 HE21 GLN A 749 -2.103 -17.227 -8.332 1.00 32.31 H new ATOM 0 HE22 GLN A 749 -3.754 -16.605 -8.254 1.00 32.31 H new ATOM 678 N SER A 750 3.301 -15.865 -7.993 1.00 44.51 N ATOM 679 CA SER A 750 4.169 -16.997 -8.281 1.00 31.52 C ATOM 680 C SER A 750 4.992 -17.360 -7.053 1.00 41.21 C ATOM 681 O SER A 750 5.150 -16.549 -6.141 1.00 24.24 O ATOM 682 CB SER A 750 5.090 -16.652 -9.459 1.00 23.10 C ATOM 683 OG SER A 750 5.873 -17.768 -9.861 1.00 4.33 O ATOM 0 H SER A 750 3.627 -15.264 -7.236 1.00 44.51 H new ATOM 0 HA SER A 750 3.556 -17.858 -8.548 1.00 31.52 H new ATOM 0 HB2 SER A 750 4.490 -16.307 -10.301 1.00 23.10 H new ATOM 0 HB3 SER A 750 5.747 -15.829 -9.178 1.00 23.10 H new ATOM 0 HG SER A 750 6.446 -17.512 -10.614 1.00 4.33 H new ATOM 689 N GLY A 751 5.492 -18.585 -7.018 1.00 35.11 N ATOM 690 CA GLY A 751 6.357 -18.998 -5.937 1.00 70.13 C ATOM 691 C GLY A 751 6.097 -20.423 -5.502 1.00 15.15 C ATOM 692 O GLY A 751 5.143 -21.051 -5.963 1.00 32.11 O ATOM 0 H GLY A 751 5.313 -19.301 -7.722 1.00 35.11 H new ATOM 0 HA2 GLY A 751 7.397 -18.901 -6.250 1.00 70.13 H new ATOM 0 HA3 GLY A 751 6.216 -18.330 -5.087 1.00 70.13 H new ATOM 696 N PRO A 752 6.950 -20.966 -4.627 1.00 24.43 N ATOM 697 CA PRO A 752 6.771 -22.308 -4.061 1.00 64.15 C ATOM 698 C PRO A 752 5.543 -22.384 -3.147 1.00 41.12 C ATOM 699 O PRO A 752 4.973 -21.357 -2.789 1.00 30.31 O ATOM 700 CB PRO A 752 8.056 -22.526 -3.253 1.00 23.34 C ATOM 701 CG PRO A 752 8.563 -21.159 -2.955 1.00 75.22 C ATOM 702 CD PRO A 752 8.167 -20.307 -4.122 1.00 55.42 C ATOM 0 HA PRO A 752 6.605 -23.062 -4.830 1.00 64.15 H new ATOM 0 HB2 PRO A 752 7.856 -23.081 -2.336 1.00 23.34 H new ATOM 0 HB3 PRO A 752 8.786 -23.102 -3.821 1.00 23.34 H new ATOM 0 HG2 PRO A 752 8.133 -20.777 -2.029 1.00 75.22 H new ATOM 0 HG3 PRO A 752 9.645 -21.164 -2.825 1.00 75.22 H new ATOM 0 HD2 PRO A 752 7.971 -19.278 -3.820 1.00 55.42 H new ATOM 0 HD3 PRO A 752 8.950 -20.274 -4.880 1.00 55.42 H new ATOM 710 N PRO A 753 5.114 -23.598 -2.757 1.00 34.42 N ATOM 711 CA PRO A 753 3.934 -23.785 -1.898 1.00 75.40 C ATOM 712 C PRO A 753 4.069 -23.084 -0.546 1.00 34.55 C ATOM 713 O PRO A 753 3.079 -22.639 0.038 1.00 71.32 O ATOM 714 CB PRO A 753 3.856 -25.306 -1.704 1.00 0.14 C ATOM 715 CG PRO A 753 5.206 -25.818 -2.074 1.00 63.52 C ATOM 716 CD PRO A 753 5.723 -24.885 -3.129 1.00 20.12 C ATOM 0 HA PRO A 753 3.041 -23.354 -2.352 1.00 75.40 H new ATOM 0 HB2 PRO A 753 3.608 -25.559 -0.673 1.00 0.14 H new ATOM 0 HB3 PRO A 753 3.082 -25.744 -2.335 1.00 0.14 H new ATOM 0 HG2 PRO A 753 5.868 -25.835 -1.208 1.00 63.52 H new ATOM 0 HG3 PRO A 753 5.147 -26.839 -2.450 1.00 63.52 H new ATOM 0 HD2 PRO A 753 6.812 -24.833 -3.124 1.00 20.12 H new ATOM 0 HD3 PRO A 753 5.423 -25.200 -4.129 1.00 20.12 H new ATOM 724 N HIS A 754 5.297 -22.982 -0.052 1.00 74.23 N ATOM 725 CA HIS A 754 5.551 -22.340 1.231 1.00 43.02 C ATOM 726 C HIS A 754 5.718 -20.831 1.065 1.00 24.41 C ATOM 727 O HIS A 754 5.784 -20.091 2.046 1.00 23.43 O ATOM 728 CB HIS A 754 6.793 -22.946 1.899 1.00 1.23 C ATOM 729 CG HIS A 754 8.050 -22.818 1.093 1.00 44.44 C ATOM 730 ND1 HIS A 754 8.404 -23.767 0.165 1.00 34.50 N ATOM 731 CD2 HIS A 754 8.994 -21.847 1.116 1.00 40.31 C ATOM 732 CE1 HIS A 754 9.549 -23.357 -0.353 1.00 23.05 C ATOM 733 NE2 HIS A 754 9.946 -22.198 0.195 1.00 62.52 N ATOM 0 H HIS A 754 6.131 -23.335 -0.520 1.00 74.23 H new ATOM 0 HA HIS A 754 4.688 -22.517 1.873 1.00 43.02 H new ATOM 0 HB2 HIS A 754 6.944 -22.464 2.865 1.00 1.23 H new ATOM 0 HB3 HIS A 754 6.607 -24.002 2.096 1.00 1.23 H new ATOM 0 HD2 HIS A 754 8.996 -20.966 1.740 1.00 40.31 H new ATOM 0 HE1 HIS A 754 10.095 -23.887 -1.119 1.00 23.05 H new ATOM 0 HE2 HIS A 754 10.794 -21.678 -0.031 1.00 62.52 H new ATOM 741 N GLU A 755 5.776 -20.383 -0.181 1.00 52.13 N ATOM 742 CA GLU A 755 5.948 -18.968 -0.485 1.00 23.30 C ATOM 743 C GLU A 755 5.137 -18.553 -1.712 1.00 71.03 C ATOM 744 O GLU A 755 5.709 -18.233 -2.756 1.00 63.30 O ATOM 745 CB GLU A 755 7.430 -18.649 -0.718 1.00 32.24 C ATOM 746 CG GLU A 755 8.193 -18.268 0.539 1.00 65.45 C ATOM 747 CD GLU A 755 7.779 -16.917 1.080 1.00 71.33 C ATOM 748 OE1 GLU A 755 8.180 -15.886 0.494 1.00 75.51 O ATOM 749 OE2 GLU A 755 7.059 -16.870 2.097 1.00 32.34 O ATOM 0 H GLU A 755 5.706 -20.983 -1.003 1.00 52.13 H new ATOM 0 HA GLU A 755 5.583 -18.403 0.373 1.00 23.30 H new ATOM 0 HB2 GLU A 755 7.909 -19.517 -1.171 1.00 32.24 H new ATOM 0 HB3 GLU A 755 7.505 -17.832 -1.436 1.00 32.24 H new ATOM 0 HG2 GLU A 755 8.030 -19.028 1.304 1.00 65.45 H new ATOM 0 HG3 GLU A 755 9.261 -18.258 0.323 1.00 65.45 H new ATOM 756 N PRO A 756 3.794 -18.571 -1.622 1.00 1.21 N ATOM 757 CA PRO A 756 2.943 -18.064 -2.695 1.00 62.41 C ATOM 758 C PRO A 756 3.036 -16.546 -2.763 1.00 74.55 C ATOM 759 O PRO A 756 2.273 -15.832 -2.118 1.00 0.40 O ATOM 760 CB PRO A 756 1.536 -18.513 -2.294 1.00 75.32 C ATOM 761 CG PRO A 756 1.595 -18.671 -0.813 1.00 11.05 C ATOM 762 CD PRO A 756 3.007 -19.080 -0.484 1.00 74.40 C ATOM 0 HA PRO A 756 3.228 -18.433 -3.680 1.00 62.41 H new ATOM 0 HB2 PRO A 756 0.788 -17.775 -2.584 1.00 75.32 H new ATOM 0 HB3 PRO A 756 1.266 -19.450 -2.781 1.00 75.32 H new ATOM 0 HG2 PRO A 756 1.334 -17.738 -0.312 1.00 11.05 H new ATOM 0 HG3 PRO A 756 0.884 -19.424 -0.474 1.00 11.05 H new ATOM 0 HD2 PRO A 756 3.340 -18.646 0.459 1.00 74.40 H new ATOM 0 HD3 PRO A 756 3.098 -20.162 -0.387 1.00 74.40 H new ATOM 770 N LYS A 757 4.002 -16.063 -3.520 1.00 33.22 N ATOM 771 CA LYS A 757 4.363 -14.662 -3.484 1.00 23.13 C ATOM 772 C LYS A 757 3.520 -13.838 -4.447 1.00 31.30 C ATOM 773 O LYS A 757 3.558 -14.029 -5.664 1.00 61.51 O ATOM 774 CB LYS A 757 5.854 -14.508 -3.786 1.00 40.22 C ATOM 775 CG LYS A 757 6.392 -13.103 -3.582 1.00 50.50 C ATOM 776 CD LYS A 757 7.917 -13.073 -3.601 1.00 52.42 C ATOM 777 CE LYS A 757 8.525 -13.577 -2.293 1.00 64.01 C ATOM 778 NZ LYS A 757 8.280 -15.028 -2.056 1.00 11.14 N ATOM 0 H LYS A 757 4.552 -16.624 -4.170 1.00 33.22 H new ATOM 0 HA LYS A 757 4.162 -14.280 -2.483 1.00 23.13 H new ATOM 0 HB2 LYS A 757 6.414 -15.194 -3.151 1.00 40.22 H new ATOM 0 HB3 LYS A 757 6.036 -14.808 -4.818 1.00 40.22 H new ATOM 0 HG2 LYS A 757 6.006 -12.449 -4.363 1.00 50.50 H new ATOM 0 HG3 LYS A 757 6.032 -12.710 -2.631 1.00 50.50 H new ATOM 0 HD2 LYS A 757 8.280 -13.685 -4.427 1.00 52.42 H new ATOM 0 HD3 LYS A 757 8.256 -12.054 -3.787 1.00 52.42 H new ATOM 0 HE2 LYS A 757 9.599 -13.393 -2.304 1.00 64.01 H new ATOM 0 HE3 LYS A 757 8.112 -13.004 -1.463 1.00 64.01 H new ATOM 0 HZ1 LYS A 757 8.840 -15.346 -1.239 1.00 11.14 H new ATOM 0 HZ2 LYS A 757 7.270 -15.183 -1.865 1.00 11.14 H new ATOM 0 HZ3 LYS A 757 8.560 -15.569 -2.899 1.00 11.14 H new ATOM 792 N PHE A 758 2.747 -12.932 -3.874 1.00 43.21 N ATOM 793 CA PHE A 758 1.911 -12.027 -4.634 1.00 13.32 C ATOM 794 C PHE A 758 2.604 -10.685 -4.794 1.00 25.23 C ATOM 795 O PHE A 758 2.950 -10.030 -3.807 1.00 64.02 O ATOM 796 CB PHE A 758 0.558 -11.838 -3.940 1.00 64.41 C ATOM 797 CG PHE A 758 -0.224 -13.112 -3.815 1.00 4.35 C ATOM 798 CD1 PHE A 758 -1.093 -13.508 -4.815 1.00 23.14 C ATOM 799 CD2 PHE A 758 -0.080 -13.921 -2.700 1.00 60.33 C ATOM 800 CE1 PHE A 758 -1.804 -14.687 -4.708 1.00 43.02 C ATOM 801 CE2 PHE A 758 -0.788 -15.099 -2.586 1.00 72.32 C ATOM 802 CZ PHE A 758 -1.651 -15.482 -3.591 1.00 31.44 C ATOM 0 H PHE A 758 2.683 -12.805 -2.864 1.00 43.21 H new ATOM 0 HA PHE A 758 1.741 -12.459 -5.620 1.00 13.32 H new ATOM 0 HB2 PHE A 758 0.722 -11.420 -2.947 1.00 64.41 H new ATOM 0 HB3 PHE A 758 -0.031 -11.111 -4.498 1.00 64.41 H new ATOM 0 HD1 PHE A 758 -1.217 -12.888 -5.690 1.00 23.14 H new ATOM 0 HD2 PHE A 758 0.595 -13.626 -1.910 1.00 60.33 H new ATOM 0 HE1 PHE A 758 -2.478 -14.986 -5.497 1.00 43.02 H new ATOM 0 HE2 PHE A 758 -0.667 -15.720 -1.711 1.00 72.32 H new ATOM 0 HZ PHE A 758 -2.207 -16.404 -3.504 1.00 31.44 H new ATOM 812 N VAL A 759 2.821 -10.296 -6.035 1.00 31.24 N ATOM 813 CA VAL A 759 3.431 -9.021 -6.348 1.00 4.42 C ATOM 814 C VAL A 759 2.346 -7.961 -6.463 1.00 2.01 C ATOM 815 O VAL A 759 1.653 -7.880 -7.481 1.00 14.33 O ATOM 816 CB VAL A 759 4.228 -9.079 -7.669 1.00 14.52 C ATOM 817 CG1 VAL A 759 5.061 -7.820 -7.855 1.00 15.03 C ATOM 818 CG2 VAL A 759 5.104 -10.323 -7.718 1.00 42.31 C ATOM 0 H VAL A 759 2.579 -10.855 -6.853 1.00 31.24 H new ATOM 0 HA VAL A 759 4.125 -8.772 -5.545 1.00 4.42 H new ATOM 0 HB VAL A 759 3.516 -9.135 -8.492 1.00 14.52 H new ATOM 0 HG11 VAL A 759 5.613 -7.884 -8.792 1.00 15.03 H new ATOM 0 HG12 VAL A 759 4.405 -6.950 -7.879 1.00 15.03 H new ATOM 0 HG13 VAL A 759 5.763 -7.722 -7.027 1.00 15.03 H new ATOM 0 HG21 VAL A 759 5.656 -10.342 -8.658 1.00 42.31 H new ATOM 0 HG22 VAL A 759 5.806 -10.306 -6.885 1.00 42.31 H new ATOM 0 HG23 VAL A 759 4.478 -11.212 -7.647 1.00 42.31 H new ATOM 828 N TYR A 760 2.182 -7.182 -5.407 1.00 51.24 N ATOM 829 CA TYR A 760 1.149 -6.159 -5.358 1.00 63.14 C ATOM 830 C TYR A 760 1.747 -4.778 -5.563 1.00 74.23 C ATOM 831 O TYR A 760 2.840 -4.487 -5.077 1.00 45.41 O ATOM 832 CB TYR A 760 0.409 -6.205 -4.020 1.00 33.02 C ATOM 833 CG TYR A 760 -0.955 -6.854 -4.101 1.00 63.34 C ATOM 834 CD1 TYR A 760 -2.083 -6.096 -4.381 1.00 54.30 C ATOM 835 CD2 TYR A 760 -1.115 -8.218 -3.897 1.00 32.12 C ATOM 836 CE1 TYR A 760 -3.332 -6.675 -4.460 1.00 12.24 C ATOM 837 CE2 TYR A 760 -2.363 -8.808 -3.976 1.00 23.51 C ATOM 838 CZ TYR A 760 -3.469 -8.029 -4.257 1.00 41.33 C ATOM 839 OH TYR A 760 -4.715 -8.607 -4.340 1.00 71.41 O ATOM 0 H TYR A 760 2.756 -7.239 -4.565 1.00 51.24 H new ATOM 0 HA TYR A 760 0.442 -6.360 -6.163 1.00 63.14 H new ATOM 0 HB2 TYR A 760 1.018 -6.748 -3.297 1.00 33.02 H new ATOM 0 HB3 TYR A 760 0.296 -5.189 -3.642 1.00 33.02 H new ATOM 0 HD1 TYR A 760 -1.981 -5.033 -4.540 1.00 54.30 H new ATOM 0 HD2 TYR A 760 -0.252 -8.827 -3.673 1.00 32.12 H new ATOM 0 HE1 TYR A 760 -4.198 -6.069 -4.680 1.00 12.24 H new ATOM 0 HE2 TYR A 760 -2.473 -9.871 -3.819 1.00 23.51 H new ATOM 0 HH TYR A 760 -4.626 -9.533 -4.649 1.00 71.41 H new ATOM 849 N GLN A 761 1.029 -3.936 -6.282 1.00 33.04 N ATOM 850 CA GLN A 761 1.473 -2.577 -6.528 1.00 15.21 C ATOM 851 C GLN A 761 0.337 -1.604 -6.249 1.00 44.53 C ATOM 852 O GLN A 761 -0.812 -1.851 -6.627 1.00 53.41 O ATOM 853 CB GLN A 761 1.951 -2.432 -7.971 1.00 43.41 C ATOM 854 CG GLN A 761 2.717 -1.152 -8.246 1.00 64.53 C ATOM 855 CD GLN A 761 3.167 -1.059 -9.687 1.00 72.12 C ATOM 856 OE1 GLN A 761 2.507 -1.574 -10.589 1.00 35.20 O ATOM 857 NE2 GLN A 761 4.301 -0.416 -9.918 1.00 33.33 N ATOM 0 H GLN A 761 0.132 -4.171 -6.707 1.00 33.04 H new ATOM 0 HA GLN A 761 2.305 -2.349 -5.862 1.00 15.21 H new ATOM 0 HB2 GLN A 761 2.586 -3.283 -8.219 1.00 43.41 H new ATOM 0 HB3 GLN A 761 1.087 -2.475 -8.634 1.00 43.41 H new ATOM 0 HG2 GLN A 761 2.088 -0.295 -8.007 1.00 64.53 H new ATOM 0 HG3 GLN A 761 3.587 -1.102 -7.591 1.00 64.53 H new ATOM 0 HE21 GLN A 761 4.820 -0.002 -9.143 1.00 33.33 H new ATOM 0 HE22 GLN A 761 4.656 -0.334 -10.871 1.00 33.33 H new ATOM 866 N ALA A 762 0.657 -0.512 -5.576 1.00 32.30 N ATOM 867 CA ALA A 762 -0.338 0.493 -5.250 1.00 41.53 C ATOM 868 C ALA A 762 -0.345 1.591 -6.300 1.00 11.31 C ATOM 869 O ALA A 762 0.653 2.279 -6.510 1.00 0.04 O ATOM 870 CB ALA A 762 -0.081 1.072 -3.866 1.00 31.01 C ATOM 0 H ALA A 762 1.598 -0.299 -5.245 1.00 32.30 H new ATOM 0 HA ALA A 762 -1.319 0.019 -5.243 1.00 41.53 H new ATOM 0 HB1 ALA A 762 -0.837 1.824 -3.640 1.00 31.01 H new ATOM 0 HB2 ALA A 762 -0.128 0.275 -3.124 1.00 31.01 H new ATOM 0 HB3 ALA A 762 0.907 1.532 -3.842 1.00 31.01 H new ATOM 876 N LYS A 763 -1.464 1.733 -6.979 1.00 51.13 N ATOM 877 CA LYS A 763 -1.617 2.769 -7.978 1.00 41.42 C ATOM 878 C LYS A 763 -2.426 3.923 -7.411 1.00 42.03 C ATOM 879 O LYS A 763 -3.615 3.778 -7.126 1.00 41.20 O ATOM 880 CB LYS A 763 -2.296 2.210 -9.228 1.00 65.33 C ATOM 881 CG LYS A 763 -2.578 3.263 -10.288 1.00 31.52 C ATOM 882 CD LYS A 763 -3.268 2.656 -11.492 1.00 55.10 C ATOM 883 CE LYS A 763 -3.722 3.719 -12.475 1.00 55.43 C ATOM 884 NZ LYS A 763 -4.775 4.596 -11.897 1.00 24.11 N ATOM 0 H LYS A 763 -2.285 1.140 -6.856 1.00 51.13 H new ATOM 0 HA LYS A 763 -0.629 3.134 -8.257 1.00 41.42 H new ATOM 0 HB2 LYS A 763 -1.664 1.433 -9.658 1.00 65.33 H new ATOM 0 HB3 LYS A 763 -3.234 1.735 -8.941 1.00 65.33 H new ATOM 0 HG2 LYS A 763 -3.203 4.050 -9.866 1.00 31.52 H new ATOM 0 HG3 LYS A 763 -1.643 3.730 -10.598 1.00 31.52 H new ATOM 0 HD2 LYS A 763 -2.588 1.966 -11.991 1.00 55.10 H new ATOM 0 HD3 LYS A 763 -4.129 2.074 -11.163 1.00 55.10 H new ATOM 0 HE2 LYS A 763 -2.867 4.326 -12.773 1.00 55.43 H new ATOM 0 HE3 LYS A 763 -4.103 3.240 -13.377 1.00 55.43 H new ATOM 0 HZ1 LYS A 763 -5.399 4.937 -12.656 1.00 24.11 H new ATOM 0 HZ2 LYS A 763 -5.334 4.057 -11.205 1.00 24.11 H new ATOM 0 HZ3 LYS A 763 -4.329 5.408 -11.425 1.00 24.11 H new ATOM 898 N VAL A 764 -1.777 5.057 -7.228 1.00 13.11 N ATOM 899 CA VAL A 764 -2.444 6.239 -6.714 1.00 52.11 C ATOM 900 C VAL A 764 -2.409 7.348 -7.750 1.00 3.32 C ATOM 901 O VAL A 764 -1.365 7.959 -7.997 1.00 53.30 O ATOM 902 CB VAL A 764 -1.811 6.726 -5.396 1.00 3.04 C ATOM 903 CG1 VAL A 764 -2.490 7.994 -4.902 1.00 44.33 C ATOM 904 CG2 VAL A 764 -1.898 5.636 -4.345 1.00 4.31 C ATOM 0 H VAL A 764 -0.785 5.185 -7.428 1.00 13.11 H new ATOM 0 HA VAL A 764 -3.479 5.970 -6.504 1.00 52.11 H new ATOM 0 HB VAL A 764 -0.762 6.956 -5.582 1.00 3.04 H new ATOM 0 HG11 VAL A 764 -2.025 8.317 -3.971 1.00 44.33 H new ATOM 0 HG12 VAL A 764 -2.385 8.779 -5.651 1.00 44.33 H new ATOM 0 HG13 VAL A 764 -3.548 7.797 -4.730 1.00 44.33 H new ATOM 0 HG21 VAL A 764 -1.448 5.989 -3.417 1.00 4.31 H new ATOM 0 HG22 VAL A 764 -2.944 5.383 -4.169 1.00 4.31 H new ATOM 0 HG23 VAL A 764 -1.365 4.751 -4.693 1.00 4.31 H new ATOM 914 N GLY A 765 -3.553 7.588 -8.365 1.00 63.34 N ATOM 915 CA GLY A 765 -3.625 8.552 -9.436 1.00 63.33 C ATOM 916 C GLY A 765 -2.999 8.006 -10.697 1.00 1.20 C ATOM 917 O GLY A 765 -3.472 7.009 -11.248 1.00 51.03 O ATOM 0 H GLY A 765 -4.436 7.130 -8.140 1.00 63.34 H new ATOM 0 HA2 GLY A 765 -4.666 8.813 -9.626 1.00 63.33 H new ATOM 0 HA3 GLY A 765 -3.115 9.469 -9.140 1.00 63.33 H new ATOM 921 N GLY A 766 -1.922 8.635 -11.137 1.00 1.41 N ATOM 922 CA GLY A 766 -1.222 8.160 -12.308 1.00 1.53 C ATOM 923 C GLY A 766 0.132 7.570 -11.970 1.00 2.54 C ATOM 924 O GLY A 766 0.888 7.188 -12.863 1.00 73.34 O ATOM 0 H GLY A 766 -1.520 9.466 -10.703 1.00 1.41 H new ATOM 0 HA2 GLY A 766 -1.829 7.407 -12.810 1.00 1.53 H new ATOM 0 HA3 GLY A 766 -1.092 8.984 -13.010 1.00 1.53 H new ATOM 928 N ARG A 767 0.443 7.490 -10.682 1.00 42.15 N ATOM 929 CA ARG A 767 1.723 6.951 -10.242 1.00 63.21 C ATOM 930 C ARG A 767 1.562 5.534 -9.707 1.00 41.41 C ATOM 931 O ARG A 767 0.516 5.178 -9.161 1.00 62.13 O ATOM 932 CB ARG A 767 2.359 7.845 -9.173 1.00 13.35 C ATOM 933 CG ARG A 767 2.842 9.186 -9.705 1.00 61.22 C ATOM 934 CD ARG A 767 3.635 9.953 -8.658 1.00 74.42 C ATOM 935 NE ARG A 767 2.820 10.325 -7.504 1.00 53.11 N ATOM 936 CZ ARG A 767 3.308 10.878 -6.393 1.00 21.24 C ATOM 937 NH1 ARG A 767 4.611 11.113 -6.278 1.00 35.24 N ATOM 938 NH2 ARG A 767 2.490 11.203 -5.399 1.00 40.34 N ATOM 0 H ARG A 767 -0.172 7.791 -9.926 1.00 42.15 H new ATOM 0 HA ARG A 767 2.383 6.924 -11.109 1.00 63.21 H new ATOM 0 HB2 ARG A 767 1.633 8.019 -8.379 1.00 13.35 H new ATOM 0 HB3 ARG A 767 3.201 7.317 -8.725 1.00 13.35 H new ATOM 0 HG2 ARG A 767 3.463 9.026 -10.587 1.00 61.22 H new ATOM 0 HG3 ARG A 767 1.986 9.782 -10.022 1.00 61.22 H new ATOM 0 HD2 ARG A 767 4.475 9.344 -8.325 1.00 74.42 H new ATOM 0 HD3 ARG A 767 4.053 10.853 -9.110 1.00 74.42 H new ATOM 0 HE ARG A 767 1.816 10.151 -7.551 1.00 53.11 H new ATOM 0 HH11 ARG A 767 5.242 10.870 -7.041 1.00 35.24 H new ATOM 0 HH12 ARG A 767 4.980 11.536 -5.426 1.00 35.24 H new ATOM 0 HH21 ARG A 767 1.489 11.030 -5.485 1.00 40.34 H new ATOM 0 HH22 ARG A 767 2.863 11.626 -4.549 1.00 40.34 H new ATOM 952 N TRP A 768 2.607 4.735 -9.872 1.00 1.33 N ATOM 953 CA TRP A 768 2.597 3.341 -9.448 1.00 35.22 C ATOM 954 C TRP A 768 3.661 3.118 -8.381 1.00 3.23 C ATOM 955 O TRP A 768 4.852 3.050 -8.696 1.00 61.25 O ATOM 956 CB TRP A 768 2.888 2.417 -10.632 1.00 75.51 C ATOM 957 CG TRP A 768 1.971 2.594 -11.806 1.00 51.12 C ATOM 958 CD1 TRP A 768 2.058 3.546 -12.783 1.00 13.24 C ATOM 959 CD2 TRP A 768 0.846 1.779 -12.140 1.00 73.04 C ATOM 960 NE1 TRP A 768 1.050 3.372 -13.698 1.00 5.02 N ATOM 961 CE2 TRP A 768 0.293 2.296 -13.327 1.00 24.52 C ATOM 962 CE3 TRP A 768 0.250 0.664 -11.549 1.00 22.35 C ATOM 963 CZ2 TRP A 768 -0.827 1.733 -13.933 1.00 72.32 C ATOM 964 CZ3 TRP A 768 -0.860 0.108 -12.150 1.00 14.43 C ATOM 965 CH2 TRP A 768 -1.388 0.640 -13.331 1.00 45.43 C ATOM 0 H TRP A 768 3.483 5.033 -10.302 1.00 1.33 H new ATOM 0 HA TRP A 768 1.610 3.114 -9.046 1.00 35.22 H new ATOM 0 HB2 TRP A 768 3.914 2.583 -10.961 1.00 75.51 H new ATOM 0 HB3 TRP A 768 2.826 1.383 -10.292 1.00 75.51 H new ATOM 0 HD1 TRP A 768 2.809 4.321 -12.828 1.00 13.24 H new ATOM 0 HE1 TRP A 768 0.891 3.952 -14.522 1.00 5.02 H new ATOM 0 HE3 TRP A 768 0.650 0.244 -10.638 1.00 22.35 H new ATOM 0 HZ2 TRP A 768 -1.237 2.144 -14.844 1.00 72.32 H new ATOM 0 HZ3 TRP A 768 -1.330 -0.754 -11.700 1.00 14.43 H new ATOM 0 HH2 TRP A 768 -2.257 0.178 -13.777 1.00 45.43 H new ATOM 976 N PHE A 769 3.244 3.000 -7.130 1.00 21.23 N ATOM 977 CA PHE A 769 4.188 2.847 -6.031 1.00 11.43 C ATOM 978 C PHE A 769 3.460 2.557 -4.725 1.00 63.34 C ATOM 979 O PHE A 769 2.424 3.155 -4.428 1.00 74.11 O ATOM 980 CB PHE A 769 5.066 4.103 -5.880 1.00 72.45 C ATOM 981 CG PHE A 769 4.354 5.305 -5.320 1.00 51.04 C ATOM 982 CD1 PHE A 769 3.473 6.041 -6.098 1.00 43.44 C ATOM 983 CD2 PHE A 769 4.572 5.698 -4.010 1.00 1.33 C ATOM 984 CE1 PHE A 769 2.825 7.144 -5.578 1.00 14.13 C ATOM 985 CE2 PHE A 769 3.928 6.800 -3.486 1.00 44.21 C ATOM 986 CZ PHE A 769 3.052 7.524 -4.270 1.00 42.32 C ATOM 0 H PHE A 769 2.263 3.007 -6.850 1.00 21.23 H new ATOM 0 HA PHE A 769 4.833 2.000 -6.264 1.00 11.43 H new ATOM 0 HB2 PHE A 769 5.910 3.864 -5.233 1.00 72.45 H new ATOM 0 HB3 PHE A 769 5.476 4.363 -6.856 1.00 72.45 H new ATOM 0 HD1 PHE A 769 3.292 5.748 -7.122 1.00 43.44 H new ATOM 0 HD2 PHE A 769 5.255 5.135 -3.391 1.00 1.33 H new ATOM 0 HE1 PHE A 769 2.141 7.709 -6.194 1.00 14.13 H new ATOM 0 HE2 PHE A 769 4.109 7.096 -2.463 1.00 44.21 H new ATOM 0 HZ PHE A 769 2.545 8.386 -3.861 1.00 42.32 H new ATOM 996 N PRO A 770 3.989 1.623 -3.930 1.00 73.54 N ATOM 997 CA PRO A 770 5.155 0.835 -4.289 1.00 32.43 C ATOM 998 C PRO A 770 4.773 -0.529 -4.859 1.00 22.24 C ATOM 999 O PRO A 770 3.590 -0.875 -4.927 1.00 43.53 O ATOM 1000 CB PRO A 770 5.841 0.675 -2.940 1.00 62.34 C ATOM 1001 CG PRO A 770 4.720 0.608 -1.951 1.00 34.02 C ATOM 1002 CD PRO A 770 3.520 1.281 -2.584 1.00 64.44 C ATOM 0 HA PRO A 770 5.768 1.299 -5.062 1.00 32.43 H new ATOM 0 HB2 PRO A 770 6.450 -0.228 -2.910 1.00 62.34 H new ATOM 0 HB3 PRO A 770 6.504 1.514 -2.731 1.00 62.34 H new ATOM 0 HG2 PRO A 770 4.491 -0.428 -1.699 1.00 34.02 H new ATOM 0 HG3 PRO A 770 4.996 1.108 -1.023 1.00 34.02 H new ATOM 0 HD2 PRO A 770 2.658 0.615 -2.617 1.00 64.44 H new ATOM 0 HD3 PRO A 770 3.217 2.168 -2.027 1.00 64.44 H new ATOM 1010 N ALA A 771 5.770 -1.291 -5.273 1.00 21.35 N ATOM 1011 CA ALA A 771 5.556 -2.661 -5.707 1.00 62.11 C ATOM 1012 C ALA A 771 6.209 -3.614 -4.721 1.00 64.24 C ATOM 1013 O ALA A 771 7.437 -3.685 -4.630 1.00 51.44 O ATOM 1014 CB ALA A 771 6.102 -2.875 -7.110 1.00 2.44 C ATOM 0 H ALA A 771 6.741 -0.982 -5.318 1.00 21.35 H new ATOM 0 HA ALA A 771 4.485 -2.861 -5.736 1.00 62.11 H new ATOM 0 HB1 ALA A 771 5.930 -3.908 -7.414 1.00 2.44 H new ATOM 0 HB2 ALA A 771 5.596 -2.204 -7.804 1.00 2.44 H new ATOM 0 HB3 ALA A 771 7.172 -2.667 -7.120 1.00 2.44 H new ATOM 1020 N VAL A 772 5.386 -4.329 -3.973 1.00 24.20 N ATOM 1021 CA VAL A 772 5.874 -5.193 -2.909 1.00 73.23 C ATOM 1022 C VAL A 772 5.547 -6.649 -3.200 1.00 55.25 C ATOM 1023 O VAL A 772 4.857 -6.960 -4.172 1.00 75.23 O ATOM 1024 CB VAL A 772 5.263 -4.808 -1.544 1.00 54.34 C ATOM 1025 CG1 VAL A 772 5.636 -3.382 -1.166 1.00 21.23 C ATOM 1026 CG2 VAL A 772 3.751 -4.983 -1.567 1.00 32.34 C ATOM 0 H VAL A 772 4.372 -4.329 -4.083 1.00 24.20 H new ATOM 0 HA VAL A 772 6.955 -5.062 -2.865 1.00 73.23 H new ATOM 0 HB VAL A 772 5.674 -5.475 -0.786 1.00 54.34 H new ATOM 0 HG11 VAL A 772 5.194 -3.134 -0.201 1.00 21.23 H new ATOM 0 HG12 VAL A 772 6.721 -3.294 -1.102 1.00 21.23 H new ATOM 0 HG13 VAL A 772 5.261 -2.695 -1.924 1.00 21.23 H new ATOM 0 HG21 VAL A 772 3.338 -4.707 -0.597 1.00 32.34 H new ATOM 0 HG22 VAL A 772 3.322 -4.344 -2.339 1.00 32.34 H new ATOM 0 HG23 VAL A 772 3.508 -6.024 -1.782 1.00 32.34 H new ATOM 1036 N CYS A 773 6.039 -7.531 -2.349 1.00 44.13 N ATOM 1037 CA CYS A 773 5.784 -8.952 -2.487 1.00 11.51 C ATOM 1038 C CYS A 773 5.491 -9.580 -1.127 1.00 12.44 C ATOM 1039 O CYS A 773 6.233 -9.382 -0.163 1.00 43.41 O ATOM 1040 CB CYS A 773 6.984 -9.633 -3.148 1.00 35.25 C ATOM 1041 SG CYS A 773 8.565 -9.280 -2.343 1.00 70.33 S ATOM 0 H CYS A 773 6.622 -7.285 -1.549 1.00 44.13 H new ATOM 0 HA CYS A 773 4.907 -9.093 -3.119 1.00 11.51 H new ATOM 0 HB2 CYS A 773 6.822 -10.711 -3.150 1.00 35.25 H new ATOM 0 HB3 CYS A 773 7.040 -9.317 -4.190 1.00 35.25 H new ATOM 0 HG CYS A 773 8.380 -9.148 -1.063 1.00 70.33 H new ATOM 1047 N ALA A 774 4.392 -10.315 -1.052 1.00 25.13 N ATOM 1048 CA ALA A 774 4.006 -11.006 0.171 1.00 72.40 C ATOM 1049 C ALA A 774 3.453 -12.383 -0.163 1.00 24.35 C ATOM 1050 O ALA A 774 2.936 -12.590 -1.254 1.00 3.20 O ATOM 1051 CB ALA A 774 2.972 -10.191 0.937 1.00 43.13 C ATOM 0 H ALA A 774 3.746 -10.449 -1.830 1.00 25.13 H new ATOM 0 HA ALA A 774 4.887 -11.124 0.802 1.00 72.40 H new ATOM 0 HB1 ALA A 774 2.694 -10.720 1.848 1.00 43.13 H new ATOM 0 HB2 ALA A 774 3.393 -9.220 1.196 1.00 43.13 H new ATOM 0 HB3 ALA A 774 2.088 -10.049 0.316 1.00 43.13 H new ATOM 1057 N HIS A 775 3.552 -13.322 0.769 1.00 51.34 N ATOM 1058 CA HIS A 775 3.048 -14.677 0.526 1.00 4.13 C ATOM 1059 C HIS A 775 1.564 -14.782 0.867 1.00 44.43 C ATOM 1060 O HIS A 775 1.006 -15.876 0.955 1.00 52.50 O ATOM 1061 CB HIS A 775 3.862 -15.736 1.289 1.00 53.54 C ATOM 1062 CG HIS A 775 3.933 -15.547 2.777 1.00 62.21 C ATOM 1063 ND1 HIS A 775 5.082 -15.781 3.496 1.00 11.13 N ATOM 1064 CD2 HIS A 775 2.998 -15.172 3.681 1.00 62.14 C ATOM 1065 CE1 HIS A 775 4.854 -15.558 4.776 1.00 70.21 C ATOM 1066 NE2 HIS A 775 3.595 -15.188 4.916 1.00 23.44 N ATOM 0 H HIS A 775 3.969 -13.179 1.689 1.00 51.34 H new ATOM 0 HA HIS A 775 3.167 -14.878 -0.539 1.00 4.13 H new ATOM 0 HB2 HIS A 775 3.432 -16.717 1.085 1.00 53.54 H new ATOM 0 HB3 HIS A 775 4.877 -15.744 0.892 1.00 53.54 H new ATOM 0 HD1 HIS A 775 5.973 -16.081 3.100 1.00 11.13 H new ATOM 0 HD2 HIS A 775 1.972 -14.909 3.469 1.00 62.14 H new ATOM 0 HE1 HIS A 775 5.575 -15.661 5.574 1.00 70.21 H new ATOM 1075 N SER A 776 0.936 -13.636 1.059 1.00 1.55 N ATOM 1076 CA SER A 776 -0.490 -13.571 1.309 1.00 75.41 C ATOM 1077 C SER A 776 -1.088 -12.412 0.523 1.00 61.11 C ATOM 1078 O SER A 776 -0.471 -11.350 0.408 1.00 13.40 O ATOM 1079 CB SER A 776 -0.759 -13.406 2.808 1.00 45.54 C ATOM 1080 OG SER A 776 -2.143 -13.270 3.078 1.00 61.21 O ATOM 0 H SER A 776 1.400 -12.728 1.046 1.00 1.55 H new ATOM 0 HA SER A 776 -0.958 -14.499 0.982 1.00 75.41 H new ATOM 0 HB2 SER A 776 -0.366 -14.269 3.346 1.00 45.54 H new ATOM 0 HB3 SER A 776 -0.228 -12.530 3.179 1.00 45.54 H new ATOM 0 HG SER A 776 -2.280 -13.168 4.043 1.00 61.21 H new ATOM 1086 N LYS A 777 -2.275 -12.623 -0.018 1.00 75.34 N ATOM 1087 CA LYS A 777 -2.942 -11.616 -0.827 1.00 2.45 C ATOM 1088 C LYS A 777 -3.353 -10.432 0.041 1.00 33.42 C ATOM 1089 O LYS A 777 -3.194 -9.275 -0.352 1.00 45.43 O ATOM 1090 CB LYS A 777 -4.149 -12.247 -1.533 1.00 20.35 C ATOM 1091 CG LYS A 777 -5.034 -11.270 -2.291 1.00 33.53 C ATOM 1092 CD LYS A 777 -6.181 -10.765 -1.429 1.00 12.13 C ATOM 1093 CE LYS A 777 -7.195 -9.994 -2.254 1.00 63.22 C ATOM 1094 NZ LYS A 777 -7.751 -10.821 -3.357 1.00 23.33 N ATOM 0 H LYS A 777 -2.801 -13.490 0.089 1.00 75.34 H new ATOM 0 HA LYS A 777 -2.258 -11.241 -1.589 1.00 2.45 H new ATOM 0 HB2 LYS A 777 -3.788 -13.003 -2.230 1.00 20.35 H new ATOM 0 HB3 LYS A 777 -4.757 -12.763 -0.790 1.00 20.35 H new ATOM 0 HG2 LYS A 777 -4.435 -10.425 -2.631 1.00 33.53 H new ATOM 0 HG3 LYS A 777 -5.434 -11.756 -3.181 1.00 33.53 H new ATOM 0 HD2 LYS A 777 -6.671 -11.608 -0.942 1.00 12.13 H new ATOM 0 HD3 LYS A 777 -5.790 -10.124 -0.639 1.00 12.13 H new ATOM 0 HE2 LYS A 777 -8.006 -9.655 -1.609 1.00 63.22 H new ATOM 0 HE3 LYS A 777 -6.724 -9.103 -2.669 1.00 63.22 H new ATOM 0 HZ1 LYS A 777 -8.668 -10.431 -3.655 1.00 23.33 H new ATOM 0 HZ2 LYS A 777 -7.093 -10.813 -4.162 1.00 23.33 H new ATOM 0 HZ3 LYS A 777 -7.882 -11.798 -3.026 1.00 23.33 H new ATOM 1108 N LYS A 778 -3.865 -10.731 1.227 1.00 30.35 N ATOM 1109 CA LYS A 778 -4.259 -9.697 2.172 1.00 54.32 C ATOM 1110 C LYS A 778 -3.034 -8.912 2.630 1.00 63.44 C ATOM 1111 O LYS A 778 -3.077 -7.684 2.742 1.00 31.43 O ATOM 1112 CB LYS A 778 -4.975 -10.321 3.374 1.00 20.11 C ATOM 1113 CG LYS A 778 -5.537 -9.303 4.353 1.00 14.12 C ATOM 1114 CD LYS A 778 -6.361 -9.978 5.438 1.00 60.03 C ATOM 1115 CE LYS A 778 -6.967 -8.965 6.399 1.00 32.12 C ATOM 1116 NZ LYS A 778 -5.937 -8.287 7.230 1.00 3.40 N ATOM 0 H LYS A 778 -4.017 -11.684 1.558 1.00 30.35 H new ATOM 0 HA LYS A 778 -4.948 -9.012 1.678 1.00 54.32 H new ATOM 0 HB2 LYS A 778 -5.788 -10.951 3.013 1.00 20.11 H new ATOM 0 HB3 LYS A 778 -4.278 -10.972 3.902 1.00 20.11 H new ATOM 0 HG2 LYS A 778 -4.720 -8.744 4.809 1.00 14.12 H new ATOM 0 HG3 LYS A 778 -6.156 -8.583 3.818 1.00 14.12 H new ATOM 0 HD2 LYS A 778 -7.157 -10.564 4.978 1.00 60.03 H new ATOM 0 HD3 LYS A 778 -5.732 -10.674 5.993 1.00 60.03 H new ATOM 0 HE2 LYS A 778 -7.523 -8.218 5.832 1.00 32.12 H new ATOM 0 HE3 LYS A 778 -7.682 -9.468 7.050 1.00 32.12 H new ATOM 0 HZ1 LYS A 778 -6.390 -7.560 7.819 1.00 3.40 H new ATOM 0 HZ2 LYS A 778 -5.469 -8.986 7.842 1.00 3.40 H new ATOM 0 HZ3 LYS A 778 -5.230 -7.840 6.611 1.00 3.40 H new ATOM 1130 N GLN A 779 -1.936 -9.625 2.869 1.00 71.41 N ATOM 1131 CA GLN A 779 -0.684 -8.984 3.254 1.00 32.03 C ATOM 1132 C GLN A 779 -0.178 -8.079 2.144 1.00 11.23 C ATOM 1133 O GLN A 779 0.240 -6.961 2.405 1.00 24.23 O ATOM 1134 CB GLN A 779 0.394 -10.016 3.595 1.00 13.23 C ATOM 1135 CG GLN A 779 0.194 -10.705 4.931 1.00 33.12 C ATOM 1136 CD GLN A 779 1.346 -11.624 5.287 1.00 71.53 C ATOM 1137 OE1 GLN A 779 1.333 -12.810 4.963 1.00 1.11 O ATOM 1138 NE2 GLN A 779 2.358 -11.082 5.944 1.00 13.04 N ATOM 0 H GLN A 779 -1.889 -10.642 2.803 1.00 71.41 H new ATOM 0 HA GLN A 779 -0.890 -8.388 4.143 1.00 32.03 H new ATOM 0 HB2 GLN A 779 0.420 -10.771 2.810 1.00 13.23 H new ATOM 0 HB3 GLN A 779 1.366 -9.523 3.595 1.00 13.23 H new ATOM 0 HG2 GLN A 779 0.079 -9.952 5.711 1.00 33.12 H new ATOM 0 HG3 GLN A 779 -0.731 -11.281 4.905 1.00 33.12 H new ATOM 0 HE21 GLN A 779 2.332 -10.094 6.195 1.00 13.04 H new ATOM 0 HE22 GLN A 779 3.164 -11.652 6.199 1.00 13.04 H new ATOM 1147 N GLY A 780 -0.232 -8.568 0.906 1.00 55.23 N ATOM 1148 CA GLY A 780 0.264 -7.805 -0.232 1.00 3.22 C ATOM 1149 C GLY A 780 -0.307 -6.401 -0.294 1.00 51.24 C ATOM 1150 O GLY A 780 0.413 -5.440 -0.566 1.00 1.41 O ATOM 0 H GLY A 780 -0.612 -9.484 0.669 1.00 55.23 H new ATOM 0 HA2 GLY A 780 1.351 -7.748 -0.179 1.00 3.22 H new ATOM 0 HA3 GLY A 780 0.017 -8.333 -1.153 1.00 3.22 H new ATOM 1154 N LYS A 781 -1.601 -6.288 -0.030 1.00 43.51 N ATOM 1155 CA LYS A 781 -2.269 -4.993 0.001 1.00 21.03 C ATOM 1156 C LYS A 781 -1.692 -4.117 1.103 1.00 51.13 C ATOM 1157 O LYS A 781 -1.361 -2.950 0.887 1.00 54.33 O ATOM 1158 CB LYS A 781 -3.763 -5.180 0.246 1.00 3.42 C ATOM 1159 CG LYS A 781 -4.454 -6.029 -0.808 1.00 73.22 C ATOM 1160 CD LYS A 781 -5.932 -6.192 -0.502 1.00 72.45 C ATOM 1161 CE LYS A 781 -6.646 -4.849 -0.454 1.00 22.11 C ATOM 1162 NZ LYS A 781 -8.063 -4.994 -0.040 1.00 43.25 N ATOM 0 H LYS A 781 -2.212 -7.081 0.167 1.00 43.51 H new ATOM 0 HA LYS A 781 -2.111 -4.508 -0.962 1.00 21.03 H new ATOM 0 HB2 LYS A 781 -3.907 -5.641 1.223 1.00 3.42 H new ATOM 0 HB3 LYS A 781 -4.241 -4.201 0.282 1.00 3.42 H new ATOM 0 HG2 LYS A 781 -4.332 -5.567 -1.788 1.00 73.22 H new ATOM 0 HG3 LYS A 781 -3.980 -7.009 -0.857 1.00 73.22 H new ATOM 0 HD2 LYS A 781 -6.394 -6.823 -1.261 1.00 72.45 H new ATOM 0 HD3 LYS A 781 -6.052 -6.703 0.453 1.00 72.45 H new ATOM 0 HE2 LYS A 781 -6.130 -4.187 0.242 1.00 22.11 H new ATOM 0 HE3 LYS A 781 -6.600 -4.378 -1.436 1.00 22.11 H new ATOM 0 HZ1 LYS A 781 -8.516 -4.058 -0.019 1.00 43.25 H new ATOM 0 HZ2 LYS A 781 -8.562 -5.605 -0.718 1.00 43.25 H new ATOM 0 HZ3 LYS A 781 -8.106 -5.421 0.907 1.00 43.25 H new ATOM 1176 N GLN A 782 -1.564 -4.703 2.282 1.00 45.04 N ATOM 1177 CA GLN A 782 -1.106 -3.989 3.459 1.00 3.25 C ATOM 1178 C GLN A 782 0.366 -3.610 3.342 1.00 34.43 C ATOM 1179 O GLN A 782 0.749 -2.500 3.694 1.00 32.14 O ATOM 1180 CB GLN A 782 -1.340 -4.846 4.697 1.00 71.52 C ATOM 1181 CG GLN A 782 -2.810 -5.109 4.972 1.00 74.02 C ATOM 1182 CD GLN A 782 -3.024 -6.189 6.011 1.00 52.54 C ATOM 1183 OE1 GLN A 782 -4.041 -6.880 6.007 1.00 53.04 O ATOM 1184 NE2 GLN A 782 -2.054 -6.359 6.888 1.00 11.40 N ATOM 0 H GLN A 782 -1.775 -5.687 2.449 1.00 45.04 H new ATOM 0 HA GLN A 782 -1.676 -3.064 3.546 1.00 3.25 H new ATOM 0 HB2 GLN A 782 -0.824 -5.798 4.575 1.00 71.52 H new ATOM 0 HB3 GLN A 782 -0.898 -4.352 5.562 1.00 71.52 H new ATOM 0 HG2 GLN A 782 -3.283 -4.187 5.309 1.00 74.02 H new ATOM 0 HG3 GLN A 782 -3.303 -5.400 4.044 1.00 74.02 H new ATOM 0 HE21 GLN A 782 -1.227 -5.763 6.855 1.00 11.40 H new ATOM 0 HE22 GLN A 782 -2.131 -7.086 7.599 1.00 11.40 H new ATOM 1193 N GLU A 783 1.176 -4.534 2.837 1.00 74.34 N ATOM 1194 CA GLU A 783 2.598 -4.282 2.622 1.00 52.35 C ATOM 1195 C GLU A 783 2.784 -3.079 1.704 1.00 64.22 C ATOM 1196 O GLU A 783 3.590 -2.189 1.978 1.00 22.03 O ATOM 1197 CB GLU A 783 3.274 -5.507 1.992 1.00 70.45 C ATOM 1198 CG GLU A 783 3.198 -6.771 2.835 1.00 60.21 C ATOM 1199 CD GLU A 783 4.028 -6.690 4.095 1.00 12.30 C ATOM 1200 OE1 GLU A 783 5.263 -6.843 4.002 1.00 22.12 O ATOM 1201 OE2 GLU A 783 3.451 -6.493 5.183 1.00 63.15 O ATOM 0 H GLU A 783 0.871 -5.469 2.567 1.00 74.34 H new ATOM 0 HA GLU A 783 3.058 -4.079 3.589 1.00 52.35 H new ATOM 0 HB2 GLU A 783 2.814 -5.703 1.024 1.00 70.45 H new ATOM 0 HB3 GLU A 783 4.322 -5.272 1.805 1.00 70.45 H new ATOM 0 HG2 GLU A 783 2.159 -6.961 3.103 1.00 60.21 H new ATOM 0 HG3 GLU A 783 3.534 -7.620 2.239 1.00 60.21 H new ATOM 1208 N ALA A 784 2.022 -3.062 0.616 1.00 53.12 N ATOM 1209 CA ALA A 784 2.075 -1.972 -0.344 1.00 1.44 C ATOM 1210 C ALA A 784 1.631 -0.667 0.296 1.00 32.21 C ATOM 1211 O ALA A 784 2.318 0.345 0.195 1.00 53.44 O ATOM 1212 CB ALA A 784 1.211 -2.290 -1.557 1.00 44.55 C ATOM 0 H ALA A 784 1.357 -3.798 0.378 1.00 53.12 H new ATOM 0 HA ALA A 784 3.108 -1.857 -0.673 1.00 1.44 H new ATOM 0 HB1 ALA A 784 1.262 -1.464 -2.266 1.00 44.55 H new ATOM 0 HB2 ALA A 784 1.574 -3.200 -2.034 1.00 44.55 H new ATOM 0 HB3 ALA A 784 0.178 -2.434 -1.240 1.00 44.55 H new ATOM 1218 N ALA A 785 0.489 -0.702 0.970 1.00 52.24 N ATOM 1219 CA ALA A 785 -0.067 0.486 1.603 1.00 73.14 C ATOM 1220 C ALA A 785 0.857 1.016 2.699 1.00 74.00 C ATOM 1221 O ALA A 785 1.045 2.225 2.829 1.00 61.11 O ATOM 1222 CB ALA A 785 -1.442 0.177 2.164 1.00 50.25 C ATOM 0 H ALA A 785 -0.072 -1.545 1.093 1.00 52.24 H new ATOM 0 HA ALA A 785 -0.160 1.266 0.847 1.00 73.14 H new ATOM 0 HB1 ALA A 785 -1.852 1.070 2.636 1.00 50.25 H new ATOM 0 HB2 ALA A 785 -2.101 -0.142 1.357 1.00 50.25 H new ATOM 0 HB3 ALA A 785 -1.363 -0.620 2.903 1.00 50.25 H new ATOM 1228 N ASP A 786 1.434 0.102 3.473 1.00 74.13 N ATOM 1229 CA ASP A 786 2.378 0.460 4.532 1.00 4.23 C ATOM 1230 C ASP A 786 3.555 1.222 3.953 1.00 60.32 C ATOM 1231 O ASP A 786 3.863 2.338 4.377 1.00 51.25 O ATOM 1232 CB ASP A 786 2.880 -0.799 5.245 1.00 33.32 C ATOM 1233 CG ASP A 786 3.884 -0.494 6.341 1.00 51.13 C ATOM 1234 OD1 ASP A 786 3.457 -0.247 7.487 1.00 72.12 O ATOM 1235 OD2 ASP A 786 5.106 -0.521 6.068 1.00 73.51 O ATOM 0 H ASP A 786 1.264 -0.900 3.387 1.00 74.13 H new ATOM 0 HA ASP A 786 1.862 1.095 5.252 1.00 4.23 H new ATOM 0 HB2 ASP A 786 2.031 -1.331 5.674 1.00 33.32 H new ATOM 0 HB3 ASP A 786 3.338 -1.466 4.515 1.00 33.32 H new ATOM 1240 N ALA A 787 4.196 0.614 2.965 1.00 2.53 N ATOM 1241 CA ALA A 787 5.329 1.227 2.297 1.00 55.22 C ATOM 1242 C ALA A 787 4.918 2.531 1.627 1.00 51.13 C ATOM 1243 O ALA A 787 5.647 3.518 1.684 1.00 64.24 O ATOM 1244 CB ALA A 787 5.921 0.265 1.281 1.00 52.13 C ATOM 0 H ALA A 787 3.947 -0.309 2.609 1.00 2.53 H new ATOM 0 HA ALA A 787 6.090 1.456 3.043 1.00 55.22 H new ATOM 0 HB1 ALA A 787 6.770 0.736 0.786 1.00 52.13 H new ATOM 0 HB2 ALA A 787 6.253 -0.641 1.788 1.00 52.13 H new ATOM 0 HB3 ALA A 787 5.165 0.009 0.539 1.00 52.13 H new ATOM 1250 N ALA A 788 3.734 2.530 1.016 1.00 23.33 N ATOM 1251 CA ALA A 788 3.219 3.705 0.323 1.00 24.15 C ATOM 1252 C ALA A 788 3.145 4.907 1.252 1.00 34.34 C ATOM 1253 O ALA A 788 3.641 5.981 0.919 1.00 43.11 O ATOM 1254 CB ALA A 788 1.849 3.419 -0.271 1.00 41.04 C ATOM 0 H ALA A 788 3.112 1.722 0.988 1.00 23.33 H new ATOM 0 HA ALA A 788 3.912 3.942 -0.485 1.00 24.15 H new ATOM 0 HB1 ALA A 788 1.482 4.308 -0.784 1.00 41.04 H new ATOM 0 HB2 ALA A 788 1.925 2.596 -0.981 1.00 41.04 H new ATOM 0 HB3 ALA A 788 1.156 3.148 0.526 1.00 41.04 H new ATOM 1260 N LEU A 789 2.544 4.720 2.426 1.00 31.55 N ATOM 1261 CA LEU A 789 2.417 5.800 3.391 1.00 64.20 C ATOM 1262 C LEU A 789 3.793 6.290 3.813 1.00 64.30 C ATOM 1263 O LEU A 789 4.031 7.489 3.888 1.00 70.13 O ATOM 1264 CB LEU A 789 1.619 5.349 4.616 1.00 14.33 C ATOM 1265 CG LEU A 789 0.208 4.847 4.319 1.00 11.31 C ATOM 1266 CD1 LEU A 789 -0.501 4.457 5.604 1.00 32.33 C ATOM 1267 CD2 LEU A 789 -0.583 5.904 3.570 1.00 61.44 C ATOM 0 H LEU A 789 2.140 3.833 2.727 1.00 31.55 H new ATOM 0 HA LEU A 789 1.878 6.620 2.916 1.00 64.20 H new ATOM 0 HB2 LEU A 789 2.172 4.556 5.119 1.00 14.33 H new ATOM 0 HB3 LEU A 789 1.552 6.183 5.314 1.00 14.33 H new ATOM 0 HG LEU A 789 0.282 3.961 3.688 1.00 11.31 H new ATOM 0 HD11 LEU A 789 -1.505 4.102 5.372 1.00 32.33 H new ATOM 0 HD12 LEU A 789 0.058 3.665 6.102 1.00 32.33 H new ATOM 0 HD13 LEU A 789 -0.566 5.324 6.261 1.00 32.33 H new ATOM 0 HD21 LEU A 789 -1.587 5.531 3.366 1.00 61.44 H new ATOM 0 HD22 LEU A 789 -0.648 6.807 4.176 1.00 61.44 H new ATOM 0 HD23 LEU A 789 -0.083 6.134 2.629 1.00 61.44 H new ATOM 1279 N ARG A 790 4.697 5.352 4.057 1.00 73.31 N ATOM 1280 CA ARG A 790 6.067 5.679 4.428 1.00 72.21 C ATOM 1281 C ARG A 790 6.754 6.508 3.343 1.00 42.04 C ATOM 1282 O ARG A 790 7.549 7.404 3.640 1.00 73.20 O ATOM 1283 CB ARG A 790 6.836 4.396 4.703 1.00 25.51 C ATOM 1284 CG ARG A 790 6.398 3.725 5.988 1.00 63.42 C ATOM 1285 CD ARG A 790 6.672 2.237 5.970 1.00 32.31 C ATOM 1286 NE ARG A 790 8.081 1.927 5.747 1.00 12.10 N ATOM 1287 CZ ARG A 790 8.516 0.760 5.279 1.00 22.13 C ATOM 1288 NH1 ARG A 790 7.653 -0.227 5.049 1.00 30.22 N ATOM 1289 NH2 ARG A 790 9.813 0.571 5.064 1.00 21.40 N ATOM 0 H ARG A 790 4.505 4.352 4.004 1.00 73.31 H new ATOM 0 HA ARG A 790 6.050 6.286 5.333 1.00 72.21 H new ATOM 0 HB2 ARG A 790 6.697 3.706 3.870 1.00 25.51 H new ATOM 0 HB3 ARG A 790 7.902 4.619 4.757 1.00 25.51 H new ATOM 0 HG2 ARG A 790 6.919 4.180 6.831 1.00 63.42 H new ATOM 0 HG3 ARG A 790 5.333 3.896 6.142 1.00 63.42 H new ATOM 0 HD2 ARG A 790 6.354 1.801 6.917 1.00 32.31 H new ATOM 0 HD3 ARG A 790 6.073 1.771 5.188 1.00 32.31 H new ATOM 0 HE ARG A 790 8.771 2.646 5.962 1.00 12.10 H new ATOM 0 HH11 ARG A 790 6.659 -0.088 5.232 1.00 30.22 H new ATOM 0 HH12 ARG A 790 7.986 -1.122 4.690 1.00 30.22 H new ATOM 0 HH21 ARG A 790 10.477 1.321 5.258 1.00 21.40 H new ATOM 0 HH22 ARG A 790 10.145 -0.324 4.705 1.00 21.40 H new ATOM 1303 N VAL A 791 6.441 6.209 2.084 1.00 22.45 N ATOM 1304 CA VAL A 791 6.922 7.014 0.966 1.00 62.13 C ATOM 1305 C VAL A 791 6.333 8.415 1.047 1.00 42.53 C ATOM 1306 O VAL A 791 7.061 9.403 1.057 1.00 43.33 O ATOM 1307 CB VAL A 791 6.549 6.400 -0.403 1.00 63.32 C ATOM 1308 CG1 VAL A 791 7.063 7.268 -1.544 1.00 73.14 C ATOM 1309 CG2 VAL A 791 7.088 4.988 -0.532 1.00 65.42 C ATOM 0 H VAL A 791 5.858 5.417 1.814 1.00 22.45 H new ATOM 0 HA VAL A 791 8.009 7.046 1.041 1.00 62.13 H new ATOM 0 HB VAL A 791 5.461 6.358 -0.463 1.00 63.32 H new ATOM 0 HG11 VAL A 791 6.789 6.816 -2.497 1.00 73.14 H new ATOM 0 HG12 VAL A 791 6.621 8.262 -1.473 1.00 73.14 H new ATOM 0 HG13 VAL A 791 8.148 7.348 -1.480 1.00 73.14 H new ATOM 0 HG21 VAL A 791 6.811 4.580 -1.504 1.00 65.42 H new ATOM 0 HG22 VAL A 791 8.174 5.003 -0.441 1.00 65.42 H new ATOM 0 HG23 VAL A 791 6.667 4.364 0.256 1.00 65.42 H new ATOM 1319 N LEU A 792 5.009 8.479 1.131 1.00 42.42 N ATOM 1320 CA LEU A 792 4.286 9.746 1.172 1.00 15.25 C ATOM 1321 C LEU A 792 4.781 10.626 2.314 1.00 63.43 C ATOM 1322 O LEU A 792 5.071 11.807 2.122 1.00 51.04 O ATOM 1323 CB LEU A 792 2.788 9.486 1.343 1.00 73.21 C ATOM 1324 CG LEU A 792 2.189 8.483 0.359 1.00 72.34 C ATOM 1325 CD1 LEU A 792 0.724 8.234 0.674 1.00 24.02 C ATOM 1326 CD2 LEU A 792 2.359 8.968 -1.072 1.00 10.42 C ATOM 0 H LEU A 792 4.407 7.657 1.173 1.00 42.42 H new ATOM 0 HA LEU A 792 4.466 10.267 0.231 1.00 15.25 H new ATOM 0 HB2 LEU A 792 2.611 9.127 2.357 1.00 73.21 H new ATOM 0 HB3 LEU A 792 2.257 10.432 1.242 1.00 73.21 H new ATOM 0 HG LEU A 792 2.724 7.539 0.463 1.00 72.34 H new ATOM 0 HD11 LEU A 792 0.316 7.517 -0.038 1.00 24.02 H new ATOM 0 HD12 LEU A 792 0.632 7.835 1.684 1.00 24.02 H new ATOM 0 HD13 LEU A 792 0.172 9.171 0.602 1.00 24.02 H new ATOM 0 HD21 LEU A 792 1.926 8.239 -1.757 1.00 10.42 H new ATOM 0 HD22 LEU A 792 1.854 9.926 -1.194 1.00 10.42 H new ATOM 0 HD23 LEU A 792 3.420 9.087 -1.292 1.00 10.42 H new ATOM 1338 N ILE A 793 4.875 10.032 3.495 1.00 74.41 N ATOM 1339 CA ILE A 793 5.327 10.737 4.687 1.00 65.43 C ATOM 1340 C ILE A 793 6.735 11.290 4.492 1.00 4.14 C ATOM 1341 O ILE A 793 6.974 12.482 4.682 1.00 42.20 O ATOM 1342 CB ILE A 793 5.291 9.805 5.920 1.00 63.33 C ATOM 1343 CG1 ILE A 793 3.849 9.374 6.206 1.00 52.51 C ATOM 1344 CG2 ILE A 793 5.895 10.491 7.138 1.00 35.33 C ATOM 1345 CD1 ILE A 793 3.730 8.231 7.188 1.00 63.21 C ATOM 0 H ILE A 793 4.641 9.052 3.654 1.00 74.41 H new ATOM 0 HA ILE A 793 4.647 11.572 4.858 1.00 65.43 H new ATOM 0 HB ILE A 793 5.889 8.920 5.703 1.00 63.33 H new ATOM 0 HG12 ILE A 793 3.295 10.230 6.592 1.00 52.51 H new ATOM 0 HG13 ILE A 793 3.375 9.084 5.268 1.00 52.51 H new ATOM 0 HG21 ILE A 793 5.858 9.815 7.992 1.00 35.33 H new ATOM 0 HG22 ILE A 793 6.932 10.756 6.930 1.00 35.33 H new ATOM 0 HG23 ILE A 793 5.328 11.394 7.365 1.00 35.33 H new ATOM 0 HD11 ILE A 793 2.678 7.987 7.336 1.00 63.21 H new ATOM 0 HD12 ILE A 793 4.254 7.359 6.796 1.00 63.21 H new ATOM 0 HD13 ILE A 793 4.172 8.522 8.141 1.00 63.21 H new ATOM 1357 N GLY A 794 7.652 10.423 4.080 1.00 52.42 N ATOM 1358 CA GLY A 794 9.026 10.837 3.887 1.00 1.41 C ATOM 1359 C GLY A 794 9.173 11.859 2.777 1.00 53.31 C ATOM 1360 O GLY A 794 9.877 12.856 2.935 1.00 33.03 O ATOM 0 H GLY A 794 7.467 9.441 3.876 1.00 52.42 H new ATOM 0 HA2 GLY A 794 9.410 11.257 4.817 1.00 1.41 H new ATOM 0 HA3 GLY A 794 9.636 9.964 3.656 1.00 1.41 H new ATOM 1364 N GLU A 795 8.493 11.620 1.664 1.00 35.44 N ATOM 1365 CA GLU A 795 8.563 12.510 0.512 1.00 71.12 C ATOM 1366 C GLU A 795 7.984 13.883 0.824 1.00 62.52 C ATOM 1367 O GLU A 795 8.608 14.900 0.532 1.00 73.22 O ATOM 1368 CB GLU A 795 7.830 11.896 -0.681 1.00 45.02 C ATOM 1369 CG GLU A 795 8.606 10.786 -1.365 1.00 74.32 C ATOM 1370 CD GLU A 795 9.862 11.295 -2.038 1.00 0.02 C ATOM 1371 OE1 GLU A 795 9.751 11.885 -3.132 1.00 21.10 O ATOM 1372 OE2 GLU A 795 10.963 11.114 -1.480 1.00 32.12 O ATOM 0 H GLU A 795 7.883 10.813 1.534 1.00 35.44 H new ATOM 0 HA GLU A 795 9.616 12.638 0.262 1.00 71.12 H new ATOM 0 HB2 GLU A 795 6.871 11.503 -0.344 1.00 45.02 H new ATOM 0 HB3 GLU A 795 7.616 12.680 -1.408 1.00 45.02 H new ATOM 0 HG2 GLU A 795 8.872 10.026 -0.631 1.00 74.32 H new ATOM 0 HG3 GLU A 795 7.969 10.304 -2.106 1.00 74.32 H new ATOM 1379 N ASN A 796 6.805 13.918 1.430 1.00 75.25 N ATOM 1380 CA ASN A 796 6.137 15.189 1.687 1.00 62.43 C ATOM 1381 C ASN A 796 6.844 15.954 2.798 1.00 61.05 C ATOM 1382 O ASN A 796 6.785 17.181 2.851 1.00 12.15 O ATOM 1383 CB ASN A 796 4.665 14.989 2.050 1.00 33.23 C ATOM 1384 CG ASN A 796 3.805 16.162 1.602 1.00 42.24 C ATOM 1385 OD1 ASN A 796 2.829 16.522 2.258 1.00 3.33 O ATOM 1386 ND2 ASN A 796 4.151 16.756 0.466 1.00 42.31 N ATOM 0 H ASN A 796 6.296 13.094 1.750 1.00 75.25 H new ATOM 0 HA ASN A 796 6.184 15.771 0.767 1.00 62.43 H new ATOM 0 HB2 ASN A 796 4.298 14.073 1.587 1.00 33.23 H new ATOM 0 HB3 ASN A 796 4.571 14.861 3.128 1.00 33.23 H new ATOM 0 HD21 ASN A 796 3.601 17.538 0.111 1.00 42.31 H new ATOM 0 HD22 ASN A 796 4.967 16.430 -0.052 1.00 42.31 H new