USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 779 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.35) USER MOD Set 1.2: A 782 GLN :FLIP amide:sc= 0 F(o=-1.3,f=-0.15) USER MOD Set 2.1: A 775 HIS : no HE2:sc= -0.0907 K(o=-0.17,f=-5.2!) USER MOD Set 2.2: A 776 SER OG : rot 180:sc= -0.0787 USER MOD Single : A 722 TYR OH : rot -119:sc= 1.01 USER MOD Single : A 724 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 725 THR OG1 : rot 75:sc= 0.804 USER MOD Single : A 726 ASN : amide:sc= -0.933 K(o=-0.93,f=-1.7) USER MOD Single : A 734 TYR OH : rot -105:sc= 0.0473 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.25) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 750 SER OG : rot 54:sc= 0.62 USER MOD Single : A 754 HIS : no HD1:sc= -0.61 K(o=-0.61,f=-1.3) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 180:sc= -0.0775 USER MOD Single : A 761 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2!) USER MOD Single : A 763 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.24) USER MOD Single : A 773 CYS SG : rot 35:sc= -0.0667 USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 LYS NZ :NH3+ 136:sc= 0.102 (180deg=-0.407) USER MOD Single : A 796 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.027 14.542 6.499 1.00 1.42 N ATOM 148 CA ILE A 716 1.178 13.679 6.749 1.00 41.33 C ATOM 149 C ILE A 716 1.143 13.035 8.138 1.00 21.53 C ATOM 150 O ILE A 716 1.342 11.827 8.269 1.00 70.53 O ATOM 151 CB ILE A 716 2.489 14.475 6.574 1.00 51.45 C ATOM 152 CG1 ILE A 716 2.530 15.118 5.184 1.00 44.01 C ATOM 153 CG2 ILE A 716 3.703 13.585 6.786 1.00 11.22 C ATOM 154 CD1 ILE A 716 2.309 14.136 4.049 1.00 65.34 C ATOM 0 HA ILE A 716 1.133 12.872 6.017 1.00 41.33 H new ATOM 0 HB ILE A 716 2.517 15.261 7.329 1.00 51.45 H new ATOM 0 HG12 ILE A 716 1.769 15.897 5.132 1.00 44.01 H new ATOM 0 HG13 ILE A 716 3.495 15.605 5.048 1.00 44.01 H new ATOM 0 HG21 ILE A 716 4.612 14.173 6.656 1.00 11.22 H new ATOM 0 HG22 ILE A 716 3.679 13.171 7.794 1.00 11.22 H new ATOM 0 HG23 ILE A 716 3.690 12.772 6.060 1.00 11.22 H new ATOM 0 HD11 ILE A 716 2.352 14.665 3.097 1.00 65.34 H new ATOM 0 HD12 ILE A 716 3.084 13.370 4.074 1.00 65.34 H new ATOM 0 HD13 ILE A 716 1.332 13.666 4.159 1.00 65.34 H new ATOM 166 N GLY A 717 0.870 13.836 9.161 1.00 0.14 N ATOM 167 CA GLY A 717 0.810 13.317 10.516 1.00 34.55 C ATOM 168 C GLY A 717 -0.309 12.310 10.699 1.00 14.41 C ATOM 169 O GLY A 717 -0.204 11.378 11.505 1.00 33.41 O ATOM 0 H GLY A 717 0.689 14.836 9.077 1.00 0.14 H new ATOM 0 HA2 GLY A 717 1.762 12.848 10.765 1.00 34.55 H new ATOM 0 HA3 GLY A 717 0.670 14.143 11.213 1.00 34.55 H new ATOM 173 N GLU A 718 -1.381 12.489 9.942 1.00 34.42 N ATOM 174 CA GLU A 718 -2.510 11.584 10.011 1.00 43.44 C ATOM 175 C GLU A 718 -2.159 10.255 9.348 1.00 3.31 C ATOM 176 O GLU A 718 -2.538 9.198 9.839 1.00 71.50 O ATOM 177 CB GLU A 718 -3.751 12.208 9.368 1.00 13.30 C ATOM 178 CG GLU A 718 -4.165 13.527 10.010 1.00 33.21 C ATOM 179 CD GLU A 718 -5.535 14.003 9.562 1.00 75.03 C ATOM 180 OE1 GLU A 718 -6.544 13.373 9.941 1.00 74.50 O ATOM 181 OE2 GLU A 718 -5.613 15.004 8.820 1.00 61.21 O ATOM 0 H GLU A 718 -1.490 13.253 9.275 1.00 34.42 H new ATOM 0 HA GLU A 718 -2.741 11.396 11.060 1.00 43.44 H new ATOM 0 HB2 GLU A 718 -3.558 12.373 8.308 1.00 13.30 H new ATOM 0 HB3 GLU A 718 -4.580 11.503 9.436 1.00 13.30 H new ATOM 0 HG2 GLU A 718 -4.163 13.413 11.094 1.00 33.21 H new ATOM 0 HG3 GLU A 718 -3.425 14.290 9.768 1.00 33.21 H new ATOM 188 N LEU A 719 -1.405 10.308 8.250 1.00 2.30 N ATOM 189 CA LEU A 719 -0.930 9.085 7.595 1.00 32.54 C ATOM 190 C LEU A 719 -0.108 8.245 8.572 1.00 3.42 C ATOM 191 O LEU A 719 -0.157 7.014 8.548 1.00 74.11 O ATOM 192 CB LEU A 719 -0.080 9.397 6.353 1.00 75.22 C ATOM 193 CG LEU A 719 -0.842 9.677 5.048 1.00 11.51 C ATOM 194 CD1 LEU A 719 -1.923 8.640 4.813 1.00 54.00 C ATOM 195 CD2 LEU A 719 -1.440 11.070 5.040 1.00 60.51 C ATOM 0 H LEU A 719 -1.111 11.174 7.798 1.00 2.30 H new ATOM 0 HA LEU A 719 -1.810 8.526 7.276 1.00 32.54 H new ATOM 0 HB2 LEU A 719 0.543 10.263 6.576 1.00 75.22 H new ATOM 0 HB3 LEU A 719 0.592 8.557 6.181 1.00 75.22 H new ATOM 0 HG LEU A 719 -0.120 9.615 4.234 1.00 11.51 H new ATOM 0 HD11 LEU A 719 -2.445 8.863 3.883 1.00 54.00 H new ATOM 0 HD12 LEU A 719 -1.470 7.651 4.746 1.00 54.00 H new ATOM 0 HD13 LEU A 719 -2.632 8.659 5.641 1.00 54.00 H new ATOM 0 HD21 LEU A 719 -1.971 11.233 4.102 1.00 60.51 H new ATOM 0 HD22 LEU A 719 -2.135 11.172 5.873 1.00 60.51 H new ATOM 0 HD23 LEU A 719 -0.644 11.808 5.139 1.00 60.51 H new ATOM 207 N VAL A 720 0.631 8.926 9.443 1.00 55.22 N ATOM 208 CA VAL A 720 1.448 8.259 10.452 1.00 65.35 C ATOM 209 C VAL A 720 0.579 7.437 11.405 1.00 71.22 C ATOM 210 O VAL A 720 0.931 6.311 11.762 1.00 41.01 O ATOM 211 CB VAL A 720 2.284 9.272 11.264 1.00 32.13 C ATOM 212 CG1 VAL A 720 3.120 8.569 12.322 1.00 1.34 C ATOM 213 CG2 VAL A 720 3.174 10.090 10.341 1.00 13.13 C ATOM 0 H VAL A 720 0.681 9.944 9.470 1.00 55.22 H new ATOM 0 HA VAL A 720 2.128 7.592 9.922 1.00 65.35 H new ATOM 0 HB VAL A 720 1.594 9.946 11.772 1.00 32.13 H new ATOM 0 HG11 VAL A 720 3.698 9.307 12.878 1.00 1.34 H new ATOM 0 HG12 VAL A 720 2.464 8.031 13.006 1.00 1.34 H new ATOM 0 HG13 VAL A 720 3.798 7.864 11.841 1.00 1.34 H new ATOM 0 HG21 VAL A 720 3.756 10.799 10.930 1.00 13.13 H new ATOM 0 HG22 VAL A 720 3.849 9.425 9.803 1.00 13.13 H new ATOM 0 HG23 VAL A 720 2.555 10.634 9.627 1.00 13.13 H new ATOM 223 N ARG A 721 -0.567 7.986 11.802 1.00 44.23 N ATOM 224 CA ARG A 721 -1.466 7.272 12.709 1.00 43.05 C ATOM 225 C ARG A 721 -2.020 6.015 12.035 1.00 55.01 C ATOM 226 O ARG A 721 -2.392 5.047 12.704 1.00 31.14 O ATOM 227 CB ARG A 721 -2.618 8.171 13.177 1.00 5.25 C ATOM 228 CG ARG A 721 -3.838 8.146 12.270 1.00 73.13 C ATOM 229 CD ARG A 721 -4.908 9.106 12.749 1.00 21.23 C ATOM 230 NE ARG A 721 -6.091 9.081 11.899 1.00 14.45 N ATOM 231 CZ ARG A 721 -6.609 10.165 11.335 1.00 42.25 C ATOM 232 NH1 ARG A 721 -6.053 11.349 11.555 1.00 73.31 N ATOM 233 NH2 ARG A 721 -7.677 10.071 10.554 1.00 54.01 N ATOM 0 H ARG A 721 -0.893 8.909 11.516 1.00 44.23 H new ATOM 0 HA ARG A 721 -0.888 6.979 13.585 1.00 43.05 H new ATOM 0 HB2 ARG A 721 -2.918 7.865 14.179 1.00 5.25 H new ATOM 0 HB3 ARG A 721 -2.256 9.196 13.252 1.00 5.25 H new ATOM 0 HG2 ARG A 721 -3.542 8.407 11.254 1.00 73.13 H new ATOM 0 HG3 ARG A 721 -4.245 7.135 12.234 1.00 73.13 H new ATOM 0 HD2 ARG A 721 -5.191 8.851 13.770 1.00 21.23 H new ATOM 0 HD3 ARG A 721 -4.502 10.117 12.774 1.00 21.23 H new ATOM 0 HE ARG A 721 -6.545 8.184 11.728 1.00 14.45 H new ATOM 0 HH11 ARG A 721 -5.232 11.423 12.155 1.00 73.31 H new ATOM 0 HH12 ARG A 721 -6.447 12.185 11.124 1.00 73.31 H new ATOM 0 HH21 ARG A 721 -8.106 9.161 10.384 1.00 54.01 H new ATOM 0 HH22 ARG A 721 -8.070 10.908 10.124 1.00 54.01 H new ATOM 247 N TYR A 722 -2.068 6.029 10.707 1.00 43.22 N ATOM 248 CA TYR A 722 -2.539 4.878 9.951 1.00 40.13 C ATOM 249 C TYR A 722 -1.469 3.799 9.889 1.00 74.32 C ATOM 250 O TYR A 722 -1.784 2.616 9.823 1.00 64.22 O ATOM 251 CB TYR A 722 -2.982 5.288 8.548 1.00 43.54 C ATOM 252 CG TYR A 722 -4.302 6.019 8.546 1.00 11.40 C ATOM 253 CD1 TYR A 722 -5.503 5.324 8.626 1.00 44.31 C ATOM 254 CD2 TYR A 722 -4.352 7.401 8.476 1.00 0.12 C ATOM 255 CE1 TYR A 722 -6.713 5.989 8.636 1.00 73.14 C ATOM 256 CE2 TYR A 722 -5.554 8.077 8.485 1.00 14.22 C ATOM 257 CZ TYR A 722 -6.735 7.365 8.567 1.00 25.30 C ATOM 258 OH TYR A 722 -7.941 8.028 8.584 1.00 34.25 O ATOM 0 H TYR A 722 -1.786 6.825 10.134 1.00 43.22 H new ATOM 0 HA TYR A 722 -3.406 4.467 10.468 1.00 40.13 H new ATOM 0 HB2 TYR A 722 -2.218 5.924 8.101 1.00 43.54 H new ATOM 0 HB3 TYR A 722 -3.062 4.399 7.922 1.00 43.54 H new ATOM 0 HD1 TYR A 722 -5.490 4.245 8.681 1.00 44.31 H new ATOM 0 HD2 TYR A 722 -3.431 7.961 8.413 1.00 0.12 H new ATOM 0 HE1 TYR A 722 -7.637 5.434 8.698 1.00 73.14 H new ATOM 0 HE2 TYR A 722 -5.572 9.155 8.428 1.00 14.22 H new ATOM 0 HH TYR A 722 -8.046 8.538 7.754 1.00 34.25 H new ATOM 268 N LEU A 723 -0.208 4.206 9.938 1.00 11.53 N ATOM 269 CA LEU A 723 0.894 3.254 10.036 1.00 35.42 C ATOM 270 C LEU A 723 0.777 2.463 11.333 1.00 33.54 C ATOM 271 O LEU A 723 1.194 1.307 11.419 1.00 52.34 O ATOM 272 CB LEU A 723 2.240 3.978 9.990 1.00 70.31 C ATOM 273 CG LEU A 723 2.550 4.695 8.678 1.00 65.12 C ATOM 274 CD1 LEU A 723 3.874 5.436 8.781 1.00 34.52 C ATOM 275 CD2 LEU A 723 2.580 3.704 7.526 1.00 41.20 C ATOM 0 H LEU A 723 0.078 5.185 9.912 1.00 11.53 H new ATOM 0 HA LEU A 723 0.839 2.572 9.188 1.00 35.42 H new ATOM 0 HB2 LEU A 723 2.270 4.707 10.799 1.00 70.31 H new ATOM 0 HB3 LEU A 723 3.031 3.253 10.185 1.00 70.31 H new ATOM 0 HG LEU A 723 1.762 5.422 8.484 1.00 65.12 H new ATOM 0 HD11 LEU A 723 4.082 5.942 7.838 1.00 34.52 H new ATOM 0 HD12 LEU A 723 3.818 6.172 9.583 1.00 34.52 H new ATOM 0 HD13 LEU A 723 4.673 4.726 8.995 1.00 34.52 H new ATOM 0 HD21 LEU A 723 2.802 4.231 6.598 1.00 41.20 H new ATOM 0 HD22 LEU A 723 3.350 2.955 7.711 1.00 41.20 H new ATOM 0 HD23 LEU A 723 1.610 3.215 7.442 1.00 41.20 H new ATOM 287 N ASN A 724 0.204 3.108 12.340 1.00 72.01 N ATOM 288 CA ASN A 724 -0.041 2.471 13.625 1.00 24.22 C ATOM 289 C ASN A 724 -1.320 1.646 13.574 1.00 24.21 C ATOM 290 O ASN A 724 -1.382 0.538 14.110 1.00 15.01 O ATOM 291 CB ASN A 724 -0.148 3.524 14.734 1.00 33.54 C ATOM 292 CG ASN A 724 1.120 4.340 14.906 1.00 3.43 C ATOM 293 OD1 ASN A 724 2.269 3.711 14.711 1.00 41.54 O flip ATOM 294 ND2 ASN A 724 1.068 5.527 15.226 1.00 42.22 N flip ATOM 0 H ASN A 724 -0.102 4.080 12.290 1.00 72.01 H new ATOM 0 HA ASN A 724 0.798 1.811 13.844 1.00 24.22 H new ATOM 0 HB2 ASN A 724 -0.977 4.195 14.510 1.00 33.54 H new ATOM 0 HB3 ASN A 724 -0.384 3.028 15.676 1.00 33.54 H new ATOM 0 HD21 ASN A 724 0.164 5.978 15.368 1.00 42.22 H new ATOM 0 HD22 ASN A 724 1.929 6.060 15.350 1.00 42.22 H new ATOM 301 N THR A 725 -2.334 2.186 12.910 1.00 41.14 N ATOM 302 CA THR A 725 -3.638 1.547 12.854 1.00 40.01 C ATOM 303 C THR A 725 -3.771 0.655 11.616 1.00 43.41 C ATOM 304 O THR A 725 -3.527 -0.550 11.683 1.00 13.13 O ATOM 305 CB THR A 725 -4.767 2.601 12.865 1.00 63.15 C ATOM 306 OG1 THR A 725 -4.522 3.561 13.905 1.00 22.22 O ATOM 307 CG2 THR A 725 -6.124 1.947 13.086 1.00 55.51 C ATOM 0 H THR A 725 -2.276 3.068 12.402 1.00 41.14 H new ATOM 0 HA THR A 725 -3.730 0.920 13.741 1.00 40.01 H new ATOM 0 HB THR A 725 -4.778 3.100 11.896 1.00 63.15 H new ATOM 0 HG1 THR A 725 -3.805 4.169 13.627 1.00 22.22 H new ATOM 0 HG21 THR A 725 -6.900 2.712 13.089 1.00 55.51 H new ATOM 0 HG22 THR A 725 -6.320 1.235 12.284 1.00 55.51 H new ATOM 0 HG23 THR A 725 -6.125 1.425 14.043 1.00 55.51 H new ATOM 315 N ASN A 726 -4.119 1.254 10.480 1.00 14.35 N ATOM 316 CA ASN A 726 -4.348 0.500 9.253 1.00 52.15 C ATOM 317 C ASN A 726 -3.793 1.255 8.051 1.00 41.34 C ATOM 318 O ASN A 726 -4.323 2.298 7.661 1.00 12.33 O ATOM 319 CB ASN A 726 -5.842 0.238 9.049 1.00 13.33 C ATOM 320 CG ASN A 726 -6.122 -0.559 7.785 1.00 50.01 C ATOM 321 OD1 ASN A 726 -5.324 -1.401 7.374 1.00 31.43 O ATOM 322 ND2 ASN A 726 -7.248 -0.281 7.147 1.00 61.24 N ATOM 0 H ASN A 726 -4.248 2.261 10.385 1.00 14.35 H new ATOM 0 HA ASN A 726 -3.831 -0.455 9.344 1.00 52.15 H new ATOM 0 HB2 ASN A 726 -6.235 -0.302 9.911 1.00 13.33 H new ATOM 0 HB3 ASN A 726 -6.372 1.189 9.001 1.00 13.33 H new ATOM 0 HD21 ASN A 726 -7.479 -0.772 6.283 1.00 61.24 H new ATOM 0 HD22 ASN A 726 -7.884 0.424 7.519 1.00 61.24 H new ATOM 329 N PRO A 727 -2.711 0.738 7.455 1.00 31.13 N ATOM 330 CA PRO A 727 -2.060 1.370 6.306 1.00 73.30 C ATOM 331 C PRO A 727 -2.969 1.425 5.084 1.00 52.20 C ATOM 332 O PRO A 727 -2.962 2.407 4.341 1.00 40.35 O ATOM 333 CB PRO A 727 -0.848 0.470 6.031 1.00 21.11 C ATOM 334 CG PRO A 727 -1.179 -0.833 6.672 1.00 4.54 C ATOM 335 CD PRO A 727 -2.030 -0.503 7.863 1.00 63.15 C ATOM 0 HA PRO A 727 -1.795 2.407 6.513 1.00 73.30 H new ATOM 0 HB2 PRO A 727 -0.680 0.351 4.961 1.00 21.11 H new ATOM 0 HB3 PRO A 727 0.063 0.896 6.451 1.00 21.11 H new ATOM 0 HG2 PRO A 727 -1.712 -1.484 5.980 1.00 4.54 H new ATOM 0 HG3 PRO A 727 -0.274 -1.361 6.973 1.00 4.54 H new ATOM 0 HD2 PRO A 727 -2.741 -1.299 8.083 1.00 63.15 H new ATOM 0 HD3 PRO A 727 -1.428 -0.356 8.760 1.00 63.15 H new ATOM 343 N VAL A 728 -3.761 0.372 4.893 1.00 41.53 N ATOM 344 CA VAL A 728 -4.653 0.279 3.744 1.00 34.31 C ATOM 345 C VAL A 728 -5.664 1.418 3.760 1.00 54.43 C ATOM 346 O VAL A 728 -5.845 2.117 2.762 1.00 21.31 O ATOM 347 CB VAL A 728 -5.404 -1.072 3.715 1.00 43.34 C ATOM 348 CG1 VAL A 728 -6.256 -1.193 2.460 1.00 23.23 C ATOM 349 CG2 VAL A 728 -4.421 -2.230 3.810 1.00 60.53 C ATOM 0 H VAL A 728 -3.802 -0.430 5.522 1.00 41.53 H new ATOM 0 HA VAL A 728 -4.036 0.350 2.848 1.00 34.31 H new ATOM 0 HB VAL A 728 -6.068 -1.111 4.579 1.00 43.34 H new ATOM 0 HG11 VAL A 728 -6.774 -2.152 2.463 1.00 23.23 H new ATOM 0 HG12 VAL A 728 -6.988 -0.385 2.438 1.00 23.23 H new ATOM 0 HG13 VAL A 728 -5.617 -1.129 1.579 1.00 23.23 H new ATOM 0 HG21 VAL A 728 -4.967 -3.173 3.788 1.00 60.53 H new ATOM 0 HG22 VAL A 728 -3.730 -2.191 2.968 1.00 60.53 H new ATOM 0 HG23 VAL A 728 -3.861 -2.156 4.742 1.00 60.53 H new ATOM 359 N GLY A 729 -6.298 1.613 4.910 1.00 73.32 N ATOM 360 CA GLY A 729 -7.259 2.685 5.058 1.00 74.31 C ATOM 361 C GLY A 729 -6.613 4.044 4.909 1.00 15.33 C ATOM 362 O GLY A 729 -7.207 4.960 4.352 1.00 62.15 O ATOM 0 H GLY A 729 -6.161 1.044 5.745 1.00 73.32 H new ATOM 0 HA2 GLY A 729 -8.046 2.573 4.312 1.00 74.31 H new ATOM 0 HA3 GLY A 729 -7.735 2.614 6.036 1.00 74.31 H new ATOM 366 N GLY A 730 -5.382 4.164 5.393 1.00 74.12 N ATOM 367 CA GLY A 730 -4.655 5.414 5.287 1.00 24.51 C ATOM 368 C GLY A 730 -4.314 5.764 3.857 1.00 23.54 C ATOM 369 O GLY A 730 -4.436 6.918 3.448 1.00 24.41 O ATOM 0 H GLY A 730 -4.873 3.413 5.859 1.00 74.12 H new ATOM 0 HA2 GLY A 730 -5.252 6.216 5.722 1.00 24.51 H new ATOM 0 HA3 GLY A 730 -3.737 5.347 5.871 1.00 24.51 H new ATOM 373 N LEU A 731 -3.899 4.766 3.092 1.00 65.04 N ATOM 374 CA LEU A 731 -3.555 4.960 1.691 1.00 43.43 C ATOM 375 C LEU A 731 -4.795 5.403 0.911 1.00 42.40 C ATOM 376 O LEU A 731 -4.730 6.300 0.068 1.00 60.24 O ATOM 377 CB LEU A 731 -2.957 3.660 1.125 1.00 15.41 C ATOM 378 CG LEU A 731 -2.248 3.762 -0.234 1.00 33.45 C ATOM 379 CD1 LEU A 731 -3.245 3.712 -1.377 1.00 34.14 C ATOM 380 CD2 LEU A 731 -1.414 5.031 -0.310 1.00 54.54 C ATOM 0 H LEU A 731 -3.792 3.806 3.421 1.00 65.04 H new ATOM 0 HA LEU A 731 -2.805 5.745 1.594 1.00 43.43 H new ATOM 0 HB2 LEU A 731 -2.245 3.268 1.852 1.00 15.41 H new ATOM 0 HB3 LEU A 731 -3.759 2.927 1.037 1.00 15.41 H new ATOM 0 HG LEU A 731 -1.583 2.904 -0.329 1.00 33.45 H new ATOM 0 HD11 LEU A 731 -2.714 3.786 -2.326 1.00 34.14 H new ATOM 0 HD12 LEU A 731 -3.793 2.771 -1.341 1.00 34.14 H new ATOM 0 HD13 LEU A 731 -3.944 4.543 -1.286 1.00 34.14 H new ATOM 0 HD21 LEU A 731 -0.920 5.084 -1.280 1.00 54.54 H new ATOM 0 HD22 LEU A 731 -2.061 5.899 -0.184 1.00 54.54 H new ATOM 0 HD23 LEU A 731 -0.663 5.020 0.480 1.00 54.54 H new ATOM 392 N LEU A 732 -5.928 4.783 1.224 1.00 14.32 N ATOM 393 CA LEU A 732 -7.199 5.139 0.605 1.00 3.12 C ATOM 394 C LEU A 732 -7.646 6.533 1.053 1.00 24.03 C ATOM 395 O LEU A 732 -8.159 7.319 0.255 1.00 50.45 O ATOM 396 CB LEU A 732 -8.268 4.105 0.969 1.00 14.41 C ATOM 397 CG LEU A 732 -7.963 2.671 0.523 1.00 62.32 C ATOM 398 CD1 LEU A 732 -8.970 1.700 1.117 1.00 71.31 C ATOM 399 CD2 LEU A 732 -7.965 2.568 -0.994 1.00 32.33 C ATOM 0 H LEU A 732 -5.991 4.028 1.906 1.00 14.32 H new ATOM 0 HA LEU A 732 -7.065 5.149 -0.477 1.00 3.12 H new ATOM 0 HB2 LEU A 732 -8.404 4.111 2.050 1.00 14.41 H new ATOM 0 HB3 LEU A 732 -9.215 4.413 0.526 1.00 14.41 H new ATOM 0 HG LEU A 732 -6.970 2.407 0.886 1.00 62.32 H new ATOM 0 HD11 LEU A 732 -8.736 0.687 0.789 1.00 71.31 H new ATOM 0 HD12 LEU A 732 -8.924 1.748 2.205 1.00 71.31 H new ATOM 0 HD13 LEU A 732 -9.973 1.967 0.784 1.00 71.31 H new ATOM 0 HD21 LEU A 732 -7.746 1.542 -1.289 1.00 32.33 H new ATOM 0 HD22 LEU A 732 -8.944 2.855 -1.377 1.00 32.33 H new ATOM 0 HD23 LEU A 732 -7.206 3.233 -1.405 1.00 32.33 H new ATOM 411 N GLU A 733 -7.422 6.829 2.328 1.00 32.13 N ATOM 412 CA GLU A 733 -7.791 8.090 2.928 1.00 41.53 C ATOM 413 C GLU A 733 -6.995 9.243 2.317 1.00 34.20 C ATOM 414 O GLU A 733 -7.553 10.292 1.985 1.00 31.10 O ATOM 415 CB GLU A 733 -7.538 7.958 4.425 1.00 45.24 C ATOM 416 CG GLU A 733 -7.376 9.258 5.156 1.00 50.11 C ATOM 417 CD GLU A 733 -8.694 9.885 5.550 1.00 3.12 C ATOM 418 OE1 GLU A 733 -9.291 10.593 4.719 1.00 64.11 O ATOM 419 OE2 GLU A 733 -9.137 9.672 6.695 1.00 2.42 O ATOM 0 H GLU A 733 -6.971 6.185 2.978 1.00 32.13 H new ATOM 0 HA GLU A 733 -8.840 8.319 2.742 1.00 41.53 H new ATOM 0 HB2 GLU A 733 -8.366 7.408 4.871 1.00 45.24 H new ATOM 0 HB3 GLU A 733 -6.640 7.359 4.575 1.00 45.24 H new ATOM 0 HG2 GLU A 733 -6.777 9.092 6.052 1.00 50.11 H new ATOM 0 HG3 GLU A 733 -6.822 9.955 4.527 1.00 50.11 H new ATOM 426 N TYR A 734 -5.694 9.044 2.163 1.00 54.10 N ATOM 427 CA TYR A 734 -4.840 10.038 1.534 1.00 14.11 C ATOM 428 C TYR A 734 -5.295 10.311 0.104 1.00 15.35 C ATOM 429 O TYR A 734 -5.418 11.467 -0.307 1.00 51.31 O ATOM 430 CB TYR A 734 -3.382 9.565 1.548 1.00 31.31 C ATOM 431 CG TYR A 734 -2.521 10.196 0.476 1.00 53.15 C ATOM 432 CD1 TYR A 734 -1.932 11.441 0.661 1.00 14.34 C ATOM 433 CD2 TYR A 734 -2.305 9.538 -0.728 1.00 0.03 C ATOM 434 CE1 TYR A 734 -1.150 12.009 -0.327 1.00 44.14 C ATOM 435 CE2 TYR A 734 -1.526 10.099 -1.718 1.00 52.54 C ATOM 436 CZ TYR A 734 -0.948 11.334 -1.513 1.00 35.02 C ATOM 437 OH TYR A 734 -0.173 11.899 -2.498 1.00 32.44 O ATOM 0 H TYR A 734 -5.207 8.201 2.466 1.00 54.10 H new ATOM 0 HA TYR A 734 -4.915 10.967 2.100 1.00 14.11 H new ATOM 0 HB2 TYR A 734 -2.949 9.785 2.524 1.00 31.31 H new ATOM 0 HB3 TYR A 734 -3.361 8.482 1.426 1.00 31.31 H new ATOM 0 HD1 TYR A 734 -2.087 11.972 1.589 1.00 14.34 H new ATOM 0 HD2 TYR A 734 -2.755 8.570 -0.892 1.00 0.03 H new ATOM 0 HE1 TYR A 734 -0.699 12.978 -0.171 1.00 44.14 H new ATOM 0 HE2 TYR A 734 -1.369 9.574 -2.649 1.00 52.54 H new ATOM 0 HH TYR A 734 -0.749 12.227 -3.220 1.00 32.44 H new ATOM 447 N ALA A 735 -5.550 9.245 -0.641 1.00 61.11 N ATOM 448 CA ALA A 735 -5.932 9.365 -2.035 1.00 42.21 C ATOM 449 C ALA A 735 -7.266 10.083 -2.172 1.00 20.50 C ATOM 450 O ALA A 735 -7.386 11.040 -2.932 1.00 1.22 O ATOM 451 CB ALA A 735 -5.996 7.992 -2.683 1.00 3.11 C ATOM 0 H ALA A 735 -5.498 8.285 -0.299 1.00 61.11 H new ATOM 0 HA ALA A 735 -5.175 9.958 -2.548 1.00 42.21 H new ATOM 0 HB1 ALA A 735 -6.284 8.096 -3.729 1.00 3.11 H new ATOM 0 HB2 ALA A 735 -5.018 7.515 -2.622 1.00 3.11 H new ATOM 0 HB3 ALA A 735 -6.732 7.379 -2.164 1.00 3.11 H new ATOM 457 N ARG A 736 -8.245 9.638 -1.396 1.00 45.14 N ATOM 458 CA ARG A 736 -9.601 10.172 -1.475 1.00 12.11 C ATOM 459 C ARG A 736 -9.621 11.670 -1.174 1.00 44.25 C ATOM 460 O ARG A 736 -10.333 12.438 -1.818 1.00 72.24 O ATOM 461 CB ARG A 736 -10.519 9.409 -0.509 1.00 43.20 C ATOM 462 CG ARG A 736 -10.369 9.801 0.954 1.00 73.35 C ATOM 463 CD ARG A 736 -11.221 8.930 1.860 1.00 22.43 C ATOM 464 NE ARG A 736 -11.132 9.343 3.258 1.00 25.23 N ATOM 465 CZ ARG A 736 -12.075 9.107 4.168 1.00 61.53 C ATOM 466 NH1 ARG A 736 -13.200 8.490 3.823 1.00 12.41 N ATOM 467 NH2 ARG A 736 -11.891 9.500 5.423 1.00 13.41 N ATOM 0 H ARG A 736 -8.125 8.903 -0.699 1.00 45.14 H new ATOM 0 HA ARG A 736 -9.969 10.036 -2.492 1.00 12.11 H new ATOM 0 HB2 ARG A 736 -11.554 9.570 -0.810 1.00 43.20 H new ATOM 0 HB3 ARG A 736 -10.321 8.342 -0.607 1.00 43.20 H new ATOM 0 HG2 ARG A 736 -9.323 9.717 1.248 1.00 73.35 H new ATOM 0 HG3 ARG A 736 -10.653 10.846 1.082 1.00 73.35 H new ATOM 0 HD2 ARG A 736 -12.260 8.976 1.534 1.00 22.43 H new ATOM 0 HD3 ARG A 736 -10.903 7.891 1.768 1.00 22.43 H new ATOM 0 HE ARG A 736 -10.295 9.844 3.556 1.00 25.23 H new ATOM 0 HH11 ARG A 736 -13.344 8.195 2.857 1.00 12.41 H new ATOM 0 HH12 ARG A 736 -13.919 8.312 4.524 1.00 12.41 H new ATOM 0 HH21 ARG A 736 -11.030 9.980 5.686 1.00 13.41 H new ATOM 0 HH22 ARG A 736 -12.610 9.322 6.124 1.00 13.41 H new ATOM 481 N SER A 737 -8.807 12.079 -0.215 1.00 71.11 N ATOM 482 CA SER A 737 -8.761 13.468 0.214 1.00 25.41 C ATOM 483 C SER A 737 -7.955 14.330 -0.763 1.00 54.32 C ATOM 484 O SER A 737 -8.150 15.543 -0.838 1.00 71.02 O ATOM 485 CB SER A 737 -8.161 13.555 1.624 1.00 65.52 C ATOM 486 OG SER A 737 -8.178 14.883 2.121 1.00 54.01 O ATOM 0 H SER A 737 -8.165 11.464 0.285 1.00 71.11 H new ATOM 0 HA SER A 737 -9.780 13.854 0.230 1.00 25.41 H new ATOM 0 HB2 SER A 737 -8.721 12.907 2.298 1.00 65.52 H new ATOM 0 HB3 SER A 737 -7.135 13.186 1.606 1.00 65.52 H new ATOM 0 HG SER A 737 -7.790 14.901 3.021 1.00 54.01 H new ATOM 492 N HIS A 738 -7.061 13.708 -1.521 1.00 55.32 N ATOM 493 CA HIS A 738 -6.158 14.460 -2.390 1.00 21.41 C ATOM 494 C HIS A 738 -6.507 14.289 -3.869 1.00 44.30 C ATOM 495 O HIS A 738 -5.793 14.779 -4.743 1.00 5.22 O ATOM 496 CB HIS A 738 -4.701 14.062 -2.129 1.00 23.43 C ATOM 497 CG HIS A 738 -4.163 14.563 -0.818 1.00 53.30 C ATOM 498 ND1 HIS A 738 -2.832 14.847 -0.603 1.00 12.43 N ATOM 499 CD2 HIS A 738 -4.786 14.813 0.360 1.00 64.32 C ATOM 500 CE1 HIS A 738 -2.664 15.243 0.647 1.00 12.42 C ATOM 501 NE2 HIS A 738 -3.834 15.239 1.255 1.00 71.33 N ATOM 0 H HIS A 738 -6.940 12.696 -1.554 1.00 55.32 H new ATOM 0 HA HIS A 738 -6.283 15.516 -2.149 1.00 21.41 H new ATOM 0 HB2 HIS A 738 -4.621 12.975 -2.153 1.00 23.43 H new ATOM 0 HB3 HIS A 738 -4.079 14.446 -2.937 1.00 23.43 H new ATOM 0 HD2 HIS A 738 -5.841 14.698 0.559 1.00 64.32 H new ATOM 0 HE1 HIS A 738 -1.723 15.524 1.096 1.00 12.42 H new ATOM 0 HE2 HIS A 738 -4.004 15.507 2.225 1.00 71.33 H new ATOM 510 N GLY A 739 -7.601 13.595 -4.146 1.00 11.13 N ATOM 511 CA GLY A 739 -8.082 13.480 -5.514 1.00 12.25 C ATOM 512 C GLY A 739 -7.491 12.300 -6.259 1.00 45.13 C ATOM 513 O GLY A 739 -7.769 12.103 -7.440 1.00 73.25 O ATOM 0 H GLY A 739 -8.167 13.108 -3.451 1.00 11.13 H new ATOM 0 HA2 GLY A 739 -9.168 13.387 -5.504 1.00 12.25 H new ATOM 0 HA3 GLY A 739 -7.845 14.397 -6.053 1.00 12.25 H new ATOM 517 N PHE A 740 -6.680 11.512 -5.574 1.00 22.50 N ATOM 518 CA PHE A 740 -6.057 10.351 -6.189 1.00 53.34 C ATOM 519 C PHE A 740 -7.000 9.156 -6.169 1.00 13.12 C ATOM 520 O PHE A 740 -7.965 9.125 -5.404 1.00 22.13 O ATOM 521 CB PHE A 740 -4.753 9.987 -5.475 1.00 41.42 C ATOM 522 CG PHE A 740 -3.653 10.992 -5.661 1.00 12.51 C ATOM 523 CD1 PHE A 740 -3.546 12.087 -4.823 1.00 72.42 C ATOM 524 CD2 PHE A 740 -2.723 10.835 -6.675 1.00 1.14 C ATOM 525 CE1 PHE A 740 -2.534 13.008 -4.993 1.00 23.10 C ATOM 526 CE2 PHE A 740 -1.708 11.753 -6.851 1.00 55.12 C ATOM 527 CZ PHE A 740 -1.613 12.842 -6.009 1.00 0.52 C ATOM 0 H PHE A 740 -6.437 11.654 -4.593 1.00 22.50 H new ATOM 0 HA PHE A 740 -5.832 10.608 -7.224 1.00 53.34 H new ATOM 0 HB2 PHE A 740 -4.953 9.876 -4.409 1.00 41.42 H new ATOM 0 HB3 PHE A 740 -4.411 9.018 -5.838 1.00 41.42 H new ATOM 0 HD1 PHE A 740 -4.263 12.222 -4.027 1.00 72.42 H new ATOM 0 HD2 PHE A 740 -2.793 9.984 -7.336 1.00 1.14 H new ATOM 0 HE1 PHE A 740 -2.461 13.859 -4.332 1.00 23.10 H new ATOM 0 HE2 PHE A 740 -0.989 11.619 -7.646 1.00 55.12 H new ATOM 0 HZ PHE A 740 -0.820 13.563 -6.144 1.00 0.52 H new ATOM 537 N ALA A 741 -6.716 8.184 -7.015 1.00 24.14 N ATOM 538 CA ALA A 741 -7.488 6.956 -7.059 1.00 23.23 C ATOM 539 C ALA A 741 -6.610 5.789 -6.643 1.00 44.32 C ATOM 540 O ALA A 741 -5.750 5.349 -7.405 1.00 52.11 O ATOM 541 CB ALA A 741 -8.060 6.734 -8.452 1.00 62.14 C ATOM 0 H ALA A 741 -5.949 8.222 -7.687 1.00 24.14 H new ATOM 0 HA ALA A 741 -8.324 7.034 -6.364 1.00 23.23 H new ATOM 0 HB1 ALA A 741 -8.636 5.809 -8.466 1.00 62.14 H new ATOM 0 HB2 ALA A 741 -8.709 7.569 -8.716 1.00 62.14 H new ATOM 0 HB3 ALA A 741 -7.245 6.665 -9.173 1.00 62.14 H new ATOM 547 N ALA A 742 -6.811 5.317 -5.425 1.00 1.11 N ATOM 548 CA ALA A 742 -5.986 4.258 -4.867 1.00 12.44 C ATOM 549 C ALA A 742 -6.516 2.887 -5.253 1.00 64.33 C ATOM 550 O ALA A 742 -7.688 2.577 -5.029 1.00 51.45 O ATOM 551 CB ALA A 742 -5.919 4.393 -3.359 1.00 72.05 C ATOM 0 H ALA A 742 -7.543 5.653 -4.799 1.00 1.11 H new ATOM 0 HA ALA A 742 -4.981 4.355 -5.279 1.00 12.44 H new ATOM 0 HB1 ALA A 742 -5.299 3.596 -2.950 1.00 72.05 H new ATOM 0 HB2 ALA A 742 -5.486 5.359 -3.099 1.00 72.05 H new ATOM 0 HB3 ALA A 742 -6.924 4.322 -2.942 1.00 72.05 H new ATOM 557 N GLU A 743 -5.652 2.074 -5.840 1.00 73.21 N ATOM 558 CA GLU A 743 -6.015 0.731 -6.262 1.00 0.21 C ATOM 559 C GLU A 743 -4.903 -0.251 -5.920 1.00 32.33 C ATOM 560 O GLU A 743 -3.725 0.028 -6.141 1.00 25.11 O ATOM 561 CB GLU A 743 -6.293 0.693 -7.769 1.00 23.51 C ATOM 562 CG GLU A 743 -7.446 1.583 -8.197 1.00 75.11 C ATOM 563 CD GLU A 743 -7.774 1.460 -9.670 1.00 60.14 C ATOM 564 OE1 GLU A 743 -8.600 0.593 -10.024 1.00 3.32 O ATOM 565 OE2 GLU A 743 -7.218 2.232 -10.479 1.00 12.24 O ATOM 0 H GLU A 743 -4.683 2.325 -6.037 1.00 73.21 H new ATOM 0 HA GLU A 743 -6.922 0.443 -5.730 1.00 0.21 H new ATOM 0 HB2 GLU A 743 -5.393 0.996 -8.304 1.00 23.51 H new ATOM 0 HB3 GLU A 743 -6.509 -0.334 -8.064 1.00 23.51 H new ATOM 0 HG2 GLU A 743 -8.330 1.330 -7.611 1.00 75.11 H new ATOM 0 HG3 GLU A 743 -7.200 2.621 -7.971 1.00 75.11 H new ATOM 572 N PHE A 744 -5.280 -1.389 -5.366 1.00 65.34 N ATOM 573 CA PHE A 744 -4.326 -2.443 -5.062 1.00 74.12 C ATOM 574 C PHE A 744 -4.506 -3.588 -6.043 1.00 23.04 C ATOM 575 O PHE A 744 -5.479 -4.343 -5.956 1.00 20.24 O ATOM 576 CB PHE A 744 -4.507 -2.949 -3.630 1.00 32.03 C ATOM 577 CG PHE A 744 -4.241 -1.907 -2.584 1.00 1.43 C ATOM 578 CD1 PHE A 744 -2.963 -1.726 -2.085 1.00 11.52 C ATOM 579 CD2 PHE A 744 -5.267 -1.112 -2.099 1.00 14.35 C ATOM 580 CE1 PHE A 744 -2.711 -0.771 -1.122 1.00 21.35 C ATOM 581 CE2 PHE A 744 -5.021 -0.154 -1.136 1.00 41.52 C ATOM 582 CZ PHE A 744 -3.742 0.017 -0.645 1.00 43.01 C ATOM 0 H PHE A 744 -6.244 -1.609 -5.116 1.00 65.34 H new ATOM 0 HA PHE A 744 -3.319 -2.037 -5.153 1.00 74.12 H new ATOM 0 HB2 PHE A 744 -5.525 -3.319 -3.511 1.00 32.03 H new ATOM 0 HB3 PHE A 744 -3.839 -3.795 -3.466 1.00 32.03 H new ATOM 0 HD1 PHE A 744 -2.154 -2.339 -2.454 1.00 11.52 H new ATOM 0 HD2 PHE A 744 -6.270 -1.243 -2.478 1.00 14.35 H new ATOM 0 HE1 PHE A 744 -1.709 -0.639 -0.741 1.00 21.35 H new ATOM 0 HE2 PHE A 744 -5.828 0.461 -0.767 1.00 41.52 H new ATOM 0 HZ PHE A 744 -3.547 0.764 0.110 1.00 43.01 H new ATOM 592 N LYS A 745 -3.583 -3.708 -6.977 1.00 13.22 N ATOM 593 CA LYS A 745 -3.712 -4.693 -8.037 1.00 42.23 C ATOM 594 C LYS A 745 -2.554 -5.681 -8.012 1.00 10.21 C ATOM 595 O LYS A 745 -1.431 -5.337 -7.629 1.00 43.02 O ATOM 596 CB LYS A 745 -3.799 -3.988 -9.398 1.00 31.23 C ATOM 597 CG LYS A 745 -2.596 -3.112 -9.725 1.00 61.10 C ATOM 598 CD LYS A 745 -1.605 -3.822 -10.637 1.00 15.34 C ATOM 599 CE LYS A 745 -2.180 -4.028 -12.029 1.00 25.14 C ATOM 600 NZ LYS A 745 -1.192 -4.626 -12.966 1.00 14.21 N ATOM 0 H LYS A 745 -2.738 -3.139 -7.025 1.00 13.22 H new ATOM 0 HA LYS A 745 -4.630 -5.258 -7.874 1.00 42.23 H new ATOM 0 HB2 LYS A 745 -3.909 -4.741 -10.178 1.00 31.23 H new ATOM 0 HB3 LYS A 745 -4.699 -3.373 -9.419 1.00 31.23 H new ATOM 0 HG2 LYS A 745 -2.936 -2.194 -10.204 1.00 61.10 H new ATOM 0 HG3 LYS A 745 -2.096 -2.823 -8.801 1.00 61.10 H new ATOM 0 HD2 LYS A 745 -0.687 -3.238 -10.704 1.00 15.34 H new ATOM 0 HD3 LYS A 745 -1.338 -4.787 -10.206 1.00 15.34 H new ATOM 0 HE2 LYS A 745 -3.055 -4.675 -11.966 1.00 25.14 H new ATOM 0 HE3 LYS A 745 -2.519 -3.071 -12.425 1.00 25.14 H new ATOM 0 HZ1 LYS A 745 -1.630 -4.747 -13.901 1.00 14.21 H new ATOM 0 HZ2 LYS A 745 -0.367 -3.998 -13.049 1.00 14.21 H new ATOM 0 HZ3 LYS A 745 -0.887 -5.552 -12.604 1.00 14.21 H new ATOM 614 N LEU A 746 -2.843 -6.914 -8.397 1.00 14.14 N ATOM 615 CA LEU A 746 -1.825 -7.942 -8.496 1.00 54.13 C ATOM 616 C LEU A 746 -1.007 -7.744 -9.763 1.00 52.14 C ATOM 617 O LEU A 746 -1.554 -7.720 -10.866 1.00 10.11 O ATOM 618 CB LEU A 746 -2.461 -9.335 -8.505 1.00 32.51 C ATOM 619 CG LEU A 746 -1.476 -10.496 -8.662 1.00 50.34 C ATOM 620 CD1 LEU A 746 -0.602 -10.634 -7.428 1.00 52.02 C ATOM 621 CD2 LEU A 746 -2.216 -11.794 -8.942 1.00 13.25 C ATOM 0 H LEU A 746 -3.781 -7.226 -8.647 1.00 14.14 H new ATOM 0 HA LEU A 746 -1.172 -7.862 -7.627 1.00 54.13 H new ATOM 0 HB2 LEU A 746 -3.014 -9.471 -7.576 1.00 32.51 H new ATOM 0 HB3 LEU A 746 -3.186 -9.381 -9.317 1.00 32.51 H new ATOM 0 HG LEU A 746 -0.830 -10.279 -9.513 1.00 50.34 H new ATOM 0 HD11 LEU A 746 0.090 -11.466 -7.563 1.00 52.02 H new ATOM 0 HD12 LEU A 746 -0.038 -9.714 -7.277 1.00 52.02 H new ATOM 0 HD13 LEU A 746 -1.230 -10.822 -6.557 1.00 52.02 H new ATOM 0 HD21 LEU A 746 -1.497 -12.606 -9.050 1.00 13.25 H new ATOM 0 HD22 LEU A 746 -2.891 -12.014 -8.115 1.00 13.25 H new ATOM 0 HD23 LEU A 746 -2.791 -11.694 -9.862 1.00 13.25 H new ATOM 633 N VAL A 747 0.293 -7.586 -9.596 1.00 64.41 N ATOM 634 CA VAL A 747 1.193 -7.440 -10.723 1.00 41.20 C ATOM 635 C VAL A 747 1.528 -8.808 -11.291 1.00 54.14 C ATOM 636 O VAL A 747 1.393 -9.047 -12.493 1.00 31.10 O ATOM 637 CB VAL A 747 2.496 -6.722 -10.318 1.00 74.35 C ATOM 638 CG1 VAL A 747 3.417 -6.554 -11.519 1.00 2.30 C ATOM 639 CG2 VAL A 747 2.188 -5.375 -9.687 1.00 63.43 C ATOM 0 H VAL A 747 0.750 -7.556 -8.685 1.00 64.41 H new ATOM 0 HA VAL A 747 0.690 -6.834 -11.476 1.00 41.20 H new ATOM 0 HB VAL A 747 3.010 -7.338 -9.580 1.00 74.35 H new ATOM 0 HG11 VAL A 747 4.330 -6.045 -11.209 1.00 2.30 H new ATOM 0 HG12 VAL A 747 3.668 -7.534 -11.925 1.00 2.30 H new ATOM 0 HG13 VAL A 747 2.914 -5.963 -12.284 1.00 2.30 H new ATOM 0 HG21 VAL A 747 3.119 -4.883 -9.407 1.00 63.43 H new ATOM 0 HG22 VAL A 747 1.649 -4.753 -10.402 1.00 63.43 H new ATOM 0 HG23 VAL A 747 1.574 -5.521 -8.798 1.00 63.43 H new ATOM 649 N ASP A 748 1.933 -9.712 -10.411 1.00 53.30 N ATOM 650 CA ASP A 748 2.330 -11.053 -10.815 1.00 31.32 C ATOM 651 C ASP A 748 2.410 -11.963 -9.596 1.00 74.03 C ATOM 652 O ASP A 748 2.558 -11.487 -8.476 1.00 43.25 O ATOM 653 CB ASP A 748 3.688 -11.007 -11.531 1.00 33.34 C ATOM 654 CG ASP A 748 4.117 -12.355 -12.074 1.00 41.50 C ATOM 655 OD1 ASP A 748 3.574 -12.778 -13.118 1.00 20.23 O ATOM 656 OD2 ASP A 748 5.005 -12.992 -11.471 1.00 53.30 O ATOM 0 H ASP A 748 1.995 -9.540 -9.408 1.00 53.30 H new ATOM 0 HA ASP A 748 1.584 -11.451 -11.503 1.00 31.32 H new ATOM 0 HB2 ASP A 748 3.636 -10.291 -12.351 1.00 33.34 H new ATOM 0 HB3 ASP A 748 4.446 -10.643 -10.838 1.00 33.34 H new ATOM 661 N GLN A 749 2.278 -13.261 -9.807 1.00 42.34 N ATOM 662 CA GLN A 749 2.456 -14.220 -8.729 1.00 64.23 C ATOM 663 C GLN A 749 3.678 -15.088 -9.001 1.00 2.40 C ATOM 664 O GLN A 749 3.741 -15.788 -10.014 1.00 30.54 O ATOM 665 CB GLN A 749 1.217 -15.104 -8.558 1.00 52.52 C ATOM 666 CG GLN A 749 1.337 -16.077 -7.393 1.00 51.24 C ATOM 667 CD GLN A 749 0.162 -17.031 -7.272 1.00 3.44 C ATOM 668 OE1 GLN A 749 -1.018 -16.589 -7.674 1.00 11.02 O flip ATOM 669 NE2 GLN A 749 0.318 -18.163 -6.812 1.00 63.45 N flip ATOM 0 H GLN A 749 2.049 -13.675 -10.711 1.00 42.34 H new ATOM 0 HA GLN A 749 2.604 -13.663 -7.804 1.00 64.23 H new ATOM 0 HB2 GLN A 749 0.343 -14.470 -8.406 1.00 52.52 H new ATOM 0 HB3 GLN A 749 1.048 -15.665 -9.477 1.00 52.52 H new ATOM 0 HG2 GLN A 749 2.253 -16.656 -7.507 1.00 51.24 H new ATOM 0 HG3 GLN A 749 1.431 -15.511 -6.466 1.00 51.24 H new ATOM 0 HE21 GLN A 749 1.244 -18.469 -6.512 1.00 63.45 H new ATOM 0 HE22 GLN A 749 -0.479 -18.795 -6.731 1.00 63.45 H new ATOM 678 N SER A 750 4.648 -15.025 -8.104 1.00 24.43 N ATOM 679 CA SER A 750 5.864 -15.812 -8.228 1.00 32.01 C ATOM 680 C SER A 750 6.223 -16.436 -6.888 1.00 24.22 C ATOM 681 O SER A 750 6.661 -15.741 -5.972 1.00 32.04 O ATOM 682 CB SER A 750 7.023 -14.941 -8.716 1.00 41.14 C ATOM 683 OG SER A 750 6.786 -14.435 -10.020 1.00 23.15 O ATOM 0 H SER A 750 4.616 -14.432 -7.275 1.00 24.43 H new ATOM 0 HA SER A 750 5.687 -16.602 -8.958 1.00 32.01 H new ATOM 0 HB2 SER A 750 7.171 -14.111 -8.025 1.00 41.14 H new ATOM 0 HB3 SER A 750 7.943 -15.525 -8.714 1.00 41.14 H new ATOM 0 HG SER A 750 5.924 -13.970 -10.039 1.00 23.15 H new ATOM 689 N GLY A 751 6.031 -17.740 -6.773 1.00 71.01 N ATOM 690 CA GLY A 751 6.341 -18.415 -5.534 1.00 34.14 C ATOM 691 C GLY A 751 5.941 -19.876 -5.547 1.00 33.24 C ATOM 692 O GLY A 751 5.032 -20.268 -6.281 1.00 43.12 O ATOM 0 H GLY A 751 5.667 -18.340 -7.513 1.00 71.01 H new ATOM 0 HA2 GLY A 751 7.411 -18.337 -5.341 1.00 34.14 H new ATOM 0 HA3 GLY A 751 5.831 -17.911 -4.713 1.00 34.14 H new ATOM 696 N PRO A 752 6.629 -20.704 -4.747 1.00 54.51 N ATOM 697 CA PRO A 752 6.304 -22.127 -4.587 1.00 71.43 C ATOM 698 C PRO A 752 4.950 -22.332 -3.899 1.00 61.02 C ATOM 699 O PRO A 752 4.376 -21.390 -3.363 1.00 64.34 O ATOM 700 CB PRO A 752 7.439 -22.651 -3.698 1.00 33.30 C ATOM 701 CG PRO A 752 7.964 -21.452 -2.991 1.00 32.02 C ATOM 702 CD PRO A 752 7.798 -20.307 -3.943 1.00 10.44 C ATOM 0 HA PRO A 752 6.223 -22.641 -5.545 1.00 71.43 H new ATOM 0 HB2 PRO A 752 7.074 -23.397 -2.992 1.00 33.30 H new ATOM 0 HB3 PRO A 752 8.217 -23.130 -4.293 1.00 33.30 H new ATOM 0 HG2 PRO A 752 7.416 -21.273 -2.066 1.00 32.02 H new ATOM 0 HG3 PRO A 752 9.011 -21.586 -2.720 1.00 32.02 H new ATOM 0 HD2 PRO A 752 7.625 -19.368 -3.417 1.00 10.44 H new ATOM 0 HD3 PRO A 752 8.684 -20.167 -4.562 1.00 10.44 H new ATOM 710 N PRO A 753 4.422 -23.568 -3.896 1.00 13.02 N ATOM 711 CA PRO A 753 3.128 -23.875 -3.269 1.00 10.15 C ATOM 712 C PRO A 753 3.101 -23.555 -1.773 1.00 0.22 C ATOM 713 O PRO A 753 2.062 -23.183 -1.228 1.00 75.01 O ATOM 714 CB PRO A 753 2.959 -25.382 -3.494 1.00 32.33 C ATOM 715 CG PRO A 753 4.322 -25.887 -3.825 1.00 35.32 C ATOM 716 CD PRO A 753 5.023 -24.758 -4.519 1.00 13.00 C ATOM 0 HA PRO A 753 2.327 -23.274 -3.700 1.00 10.15 H new ATOM 0 HB2 PRO A 753 2.564 -25.871 -2.603 1.00 32.33 H new ATOM 0 HB3 PRO A 753 2.258 -25.582 -4.304 1.00 32.33 H new ATOM 0 HG2 PRO A 753 4.858 -26.184 -2.923 1.00 35.32 H new ATOM 0 HG3 PRO A 753 4.267 -26.766 -4.467 1.00 35.32 H new ATOM 0 HD2 PRO A 753 6.101 -24.795 -4.363 1.00 13.00 H new ATOM 0 HD3 PRO A 753 4.855 -24.779 -5.596 1.00 13.00 H new ATOM 724 N HIS A 754 4.248 -23.695 -1.118 1.00 64.31 N ATOM 725 CA HIS A 754 4.352 -23.435 0.317 1.00 15.24 C ATOM 726 C HIS A 754 4.651 -21.962 0.593 1.00 11.13 C ATOM 727 O HIS A 754 4.673 -21.531 1.746 1.00 25.11 O ATOM 728 CB HIS A 754 5.432 -24.322 0.946 1.00 0.53 C ATOM 729 CG HIS A 754 6.794 -24.168 0.331 1.00 21.50 C ATOM 730 ND1 HIS A 754 7.166 -24.894 -0.774 1.00 23.23 N ATOM 731 CD2 HIS A 754 7.824 -23.373 0.703 1.00 3.11 C ATOM 732 CE1 HIS A 754 8.407 -24.529 -1.048 1.00 12.32 C ATOM 733 NE2 HIS A 754 8.849 -23.611 -0.180 1.00 64.24 N ATOM 0 H HIS A 754 5.121 -23.987 -1.557 1.00 64.31 H new ATOM 0 HA HIS A 754 3.390 -23.675 0.770 1.00 15.24 H new ATOM 0 HB2 HIS A 754 5.499 -24.094 2.010 1.00 0.53 H new ATOM 0 HB3 HIS A 754 5.124 -25.364 0.862 1.00 0.53 H new ATOM 0 HD2 HIS A 754 7.838 -22.684 1.534 1.00 3.11 H new ATOM 0 HE1 HIS A 754 8.990 -24.922 -1.868 1.00 12.32 H new ATOM 0 HE2 HIS A 754 9.770 -23.172 -0.175 1.00 64.24 H new ATOM 741 N GLU A 755 4.868 -21.200 -0.471 1.00 1.34 N ATOM 742 CA GLU A 755 5.170 -19.777 -0.361 1.00 43.21 C ATOM 743 C GLU A 755 4.670 -19.021 -1.593 1.00 1.32 C ATOM 744 O GLU A 755 5.470 -18.481 -2.360 1.00 44.03 O ATOM 745 CB GLU A 755 6.678 -19.555 -0.194 1.00 12.22 C ATOM 746 CG GLU A 755 7.156 -19.592 1.248 1.00 41.43 C ATOM 747 CD GLU A 755 6.586 -18.459 2.079 1.00 72.14 C ATOM 748 OE1 GLU A 755 7.168 -17.351 2.067 1.00 13.23 O ATOM 749 OE2 GLU A 755 5.562 -18.665 2.756 1.00 31.22 O ATOM 0 H GLU A 755 4.840 -21.547 -1.430 1.00 1.34 H new ATOM 0 HA GLU A 755 4.657 -19.393 0.521 1.00 43.21 H new ATOM 0 HB2 GLU A 755 7.211 -20.317 -0.762 1.00 12.22 H new ATOM 0 HB3 GLU A 755 6.942 -18.591 -0.628 1.00 12.22 H new ATOM 0 HG2 GLU A 755 6.874 -20.545 1.696 1.00 41.43 H new ATOM 0 HG3 GLU A 755 8.245 -19.541 1.268 1.00 41.43 H new ATOM 756 N PRO A 756 3.344 -18.992 -1.814 1.00 3.32 N ATOM 757 CA PRO A 756 2.746 -18.281 -2.945 1.00 71.23 C ATOM 758 C PRO A 756 2.895 -16.775 -2.793 1.00 62.21 C ATOM 759 O PRO A 756 2.074 -16.117 -2.159 1.00 44.05 O ATOM 760 CB PRO A 756 1.263 -18.682 -2.908 1.00 23.44 C ATOM 761 CG PRO A 756 1.184 -19.826 -1.954 1.00 14.43 C ATOM 762 CD PRO A 756 2.318 -19.642 -0.988 1.00 24.51 C ATOM 0 HA PRO A 756 3.228 -18.537 -3.888 1.00 71.23 H new ATOM 0 HB2 PRO A 756 0.640 -17.851 -2.577 1.00 23.44 H new ATOM 0 HB3 PRO A 756 0.910 -18.971 -3.898 1.00 23.44 H new ATOM 0 HG2 PRO A 756 0.226 -19.834 -1.434 1.00 14.43 H new ATOM 0 HG3 PRO A 756 1.270 -20.778 -2.479 1.00 14.43 H new ATOM 0 HD2 PRO A 756 2.030 -19.023 -0.139 1.00 24.51 H new ATOM 0 HD3 PRO A 756 2.665 -20.594 -0.585 1.00 24.51 H new ATOM 770 N LYS A 757 3.967 -16.241 -3.350 1.00 53.21 N ATOM 771 CA LYS A 757 4.287 -14.838 -3.183 1.00 43.32 C ATOM 772 C LYS A 757 3.633 -13.990 -4.265 1.00 4.24 C ATOM 773 O LYS A 757 3.976 -14.076 -5.448 1.00 21.22 O ATOM 774 CB LYS A 757 5.802 -14.651 -3.163 1.00 23.03 C ATOM 775 CG LYS A 757 6.253 -13.240 -2.831 1.00 34.25 C ATOM 776 CD LYS A 757 7.559 -13.253 -2.058 1.00 54.34 C ATOM 777 CE LYS A 757 7.357 -13.798 -0.651 1.00 41.24 C ATOM 778 NZ LYS A 757 8.642 -14.019 0.060 1.00 65.33 N ATOM 0 H LYS A 757 4.631 -16.761 -3.923 1.00 53.21 H new ATOM 0 HA LYS A 757 3.885 -14.499 -2.228 1.00 43.32 H new ATOM 0 HB2 LYS A 757 6.232 -15.338 -2.434 1.00 23.03 H new ATOM 0 HB3 LYS A 757 6.203 -14.928 -4.138 1.00 23.03 H new ATOM 0 HG2 LYS A 757 6.377 -12.668 -3.751 1.00 34.25 H new ATOM 0 HG3 LYS A 757 5.484 -12.737 -2.244 1.00 34.25 H new ATOM 0 HD2 LYS A 757 8.292 -13.863 -2.586 1.00 54.34 H new ATOM 0 HD3 LYS A 757 7.964 -12.242 -2.005 1.00 54.34 H new ATOM 0 HE2 LYS A 757 6.743 -13.102 -0.079 1.00 41.24 H new ATOM 0 HE3 LYS A 757 6.808 -14.738 -0.704 1.00 41.24 H new ATOM 0 HZ1 LYS A 757 8.452 -14.390 1.013 1.00 65.33 H new ATOM 0 HZ2 LYS A 757 9.219 -14.704 -0.470 1.00 65.33 H new ATOM 0 HZ3 LYS A 757 9.156 -13.118 0.135 1.00 65.33 H new ATOM 792 N PHE A 758 2.675 -13.187 -3.840 1.00 2.15 N ATOM 793 CA PHE A 758 1.946 -12.301 -4.729 1.00 12.44 C ATOM 794 C PHE A 758 2.643 -10.950 -4.797 1.00 15.04 C ATOM 795 O PHE A 758 2.988 -10.370 -3.766 1.00 10.03 O ATOM 796 CB PHE A 758 0.511 -12.099 -4.228 1.00 63.13 C ATOM 797 CG PHE A 758 -0.244 -13.373 -3.969 1.00 74.04 C ATOM 798 CD1 PHE A 758 -0.899 -14.031 -4.997 1.00 34.33 C ATOM 799 CD2 PHE A 758 -0.304 -13.908 -2.692 1.00 43.44 C ATOM 800 CE1 PHE A 758 -1.599 -15.197 -4.755 1.00 24.11 C ATOM 801 CE2 PHE A 758 -1.002 -15.073 -2.445 1.00 52.13 C ATOM 802 CZ PHE A 758 -1.650 -15.719 -3.477 1.00 2.31 C ATOM 0 H PHE A 758 2.380 -13.131 -2.865 1.00 2.15 H new ATOM 0 HA PHE A 758 1.919 -12.754 -5.720 1.00 12.44 H new ATOM 0 HB2 PHE A 758 0.540 -11.515 -3.308 1.00 63.13 H new ATOM 0 HB3 PHE A 758 -0.037 -11.510 -4.963 1.00 63.13 H new ATOM 0 HD1 PHE A 758 -0.862 -13.628 -5.998 1.00 34.33 H new ATOM 0 HD2 PHE A 758 0.202 -13.407 -1.880 1.00 43.44 H new ATOM 0 HE1 PHE A 758 -2.106 -15.700 -5.565 1.00 24.11 H new ATOM 0 HE2 PHE A 758 -1.041 -15.478 -1.445 1.00 52.13 H new ATOM 0 HZ PHE A 758 -2.196 -16.631 -3.286 1.00 2.31 H new ATOM 812 N VAL A 759 2.862 -10.463 -6.004 1.00 63.42 N ATOM 813 CA VAL A 759 3.440 -9.147 -6.199 1.00 23.14 C ATOM 814 C VAL A 759 2.327 -8.116 -6.345 1.00 20.11 C ATOM 815 O VAL A 759 1.616 -8.102 -7.351 1.00 0.53 O ATOM 816 CB VAL A 759 4.341 -9.101 -7.451 1.00 53.51 C ATOM 817 CG1 VAL A 759 5.058 -7.763 -7.554 1.00 73.15 C ATOM 818 CG2 VAL A 759 5.337 -10.252 -7.441 1.00 40.30 C ATOM 0 H VAL A 759 2.647 -10.962 -6.867 1.00 63.42 H new ATOM 0 HA VAL A 759 4.054 -8.920 -5.328 1.00 23.14 H new ATOM 0 HB VAL A 759 3.706 -9.210 -8.330 1.00 53.51 H new ATOM 0 HG11 VAL A 759 5.687 -7.755 -8.444 1.00 73.15 H new ATOM 0 HG12 VAL A 759 4.323 -6.961 -7.621 1.00 73.15 H new ATOM 0 HG13 VAL A 759 5.678 -7.614 -6.670 1.00 73.15 H new ATOM 0 HG21 VAL A 759 5.962 -10.200 -8.333 1.00 40.30 H new ATOM 0 HG22 VAL A 759 5.965 -10.182 -6.553 1.00 40.30 H new ATOM 0 HG23 VAL A 759 4.798 -11.199 -7.430 1.00 40.30 H new ATOM 828 N TYR A 760 2.168 -7.278 -5.334 1.00 22.22 N ATOM 829 CA TYR A 760 1.132 -6.255 -5.338 1.00 0.23 C ATOM 830 C TYR A 760 1.748 -4.869 -5.430 1.00 51.44 C ATOM 831 O TYR A 760 2.786 -4.596 -4.823 1.00 14.42 O ATOM 832 CB TYR A 760 0.263 -6.356 -4.081 1.00 71.14 C ATOM 833 CG TYR A 760 -0.980 -7.191 -4.272 1.00 51.12 C ATOM 834 CD1 TYR A 760 -0.919 -8.577 -4.294 1.00 63.20 C ATOM 835 CD2 TYR A 760 -2.221 -6.584 -4.440 1.00 22.22 C ATOM 836 CE1 TYR A 760 -2.056 -9.337 -4.482 1.00 70.52 C ATOM 837 CE2 TYR A 760 -3.364 -7.339 -4.625 1.00 12.54 C ATOM 838 CZ TYR A 760 -3.275 -8.715 -4.648 1.00 23.41 C ATOM 839 OH TYR A 760 -4.407 -9.471 -4.837 1.00 20.41 O ATOM 0 H TYR A 760 2.747 -7.286 -4.494 1.00 22.22 H new ATOM 0 HA TYR A 760 0.502 -6.420 -6.212 1.00 0.23 H new ATOM 0 HB2 TYR A 760 0.856 -6.782 -3.272 1.00 71.14 H new ATOM 0 HB3 TYR A 760 -0.027 -5.353 -3.769 1.00 71.14 H new ATOM 0 HD1 TYR A 760 0.033 -9.069 -4.162 1.00 63.20 H new ATOM 0 HD2 TYR A 760 -2.292 -5.506 -4.426 1.00 22.22 H new ATOM 0 HE1 TYR A 760 -1.991 -10.415 -4.499 1.00 70.52 H new ATOM 0 HE2 TYR A 760 -4.321 -6.854 -4.751 1.00 12.54 H new ATOM 0 HH TYR A 760 -5.182 -8.880 -4.936 1.00 20.41 H new ATOM 849 N GLN A 761 1.106 -4.000 -6.189 1.00 31.40 N ATOM 850 CA GLN A 761 1.586 -2.642 -6.358 1.00 21.30 C ATOM 851 C GLN A 761 0.475 -1.656 -6.035 1.00 14.44 C ATOM 852 O GLN A 761 -0.685 -1.868 -6.405 1.00 64.21 O ATOM 853 CB GLN A 761 2.088 -2.437 -7.788 1.00 64.42 C ATOM 854 CG GLN A 761 2.866 -1.149 -7.989 1.00 41.32 C ATOM 855 CD GLN A 761 3.520 -1.077 -9.353 1.00 72.15 C ATOM 856 OE1 GLN A 761 3.008 -1.622 -10.335 1.00 64.30 O ATOM 857 NE2 GLN A 761 4.666 -0.418 -9.423 1.00 44.14 N ATOM 0 H GLN A 761 0.249 -4.212 -6.699 1.00 31.40 H new ATOM 0 HA GLN A 761 2.416 -2.468 -5.673 1.00 21.30 H new ATOM 0 HB2 GLN A 761 2.722 -3.280 -8.064 1.00 64.42 H new ATOM 0 HB3 GLN A 761 1.235 -2.444 -8.466 1.00 64.42 H new ATOM 0 HG2 GLN A 761 2.195 -0.299 -7.866 1.00 41.32 H new ATOM 0 HG3 GLN A 761 3.631 -1.066 -7.217 1.00 41.32 H new ATOM 0 HE21 GLN A 761 5.055 0.018 -8.587 1.00 44.14 H new ATOM 0 HE22 GLN A 761 5.160 -0.347 -10.313 1.00 44.14 H new ATOM 866 N ALA A 762 0.829 -0.595 -5.324 1.00 74.24 N ATOM 867 CA ALA A 762 -0.134 0.426 -4.954 1.00 51.23 C ATOM 868 C ALA A 762 -0.279 1.449 -6.071 1.00 13.22 C ATOM 869 O ALA A 762 0.636 2.225 -6.354 1.00 53.51 O ATOM 870 CB ALA A 762 0.263 1.098 -3.649 1.00 41.03 C ATOM 0 H ALA A 762 1.778 -0.421 -4.993 1.00 74.24 H new ATOM 0 HA ALA A 762 -1.101 -0.053 -4.801 1.00 51.23 H new ATOM 0 HB1 ALA A 762 -0.474 1.859 -3.393 1.00 41.03 H new ATOM 0 HB2 ALA A 762 0.306 0.353 -2.855 1.00 41.03 H new ATOM 0 HB3 ALA A 762 1.242 1.564 -3.763 1.00 41.03 H new ATOM 876 N LYS A 763 -1.425 1.417 -6.715 1.00 43.22 N ATOM 877 CA LYS A 763 -1.732 2.323 -7.802 1.00 34.14 C ATOM 878 C LYS A 763 -2.483 3.532 -7.259 1.00 31.42 C ATOM 879 O LYS A 763 -3.657 3.437 -6.924 1.00 4.13 O ATOM 880 CB LYS A 763 -2.584 1.588 -8.833 1.00 33.11 C ATOM 881 CG LYS A 763 -2.957 2.409 -10.049 1.00 54.14 C ATOM 882 CD LYS A 763 -4.071 1.726 -10.818 1.00 61.31 C ATOM 883 CE LYS A 763 -4.429 2.475 -12.084 1.00 54.05 C ATOM 884 NZ LYS A 763 -5.685 1.950 -12.681 1.00 34.13 N ATOM 0 H LYS A 763 -2.174 0.759 -6.499 1.00 43.22 H new ATOM 0 HA LYS A 763 -0.812 2.667 -8.275 1.00 34.14 H new ATOM 0 HB2 LYS A 763 -2.045 0.700 -9.163 1.00 33.11 H new ATOM 0 HB3 LYS A 763 -3.498 1.244 -8.350 1.00 33.11 H new ATOM 0 HG2 LYS A 763 -3.275 3.405 -9.741 1.00 54.14 H new ATOM 0 HG3 LYS A 763 -2.086 2.537 -10.692 1.00 54.14 H new ATOM 0 HD2 LYS A 763 -3.767 0.711 -11.071 1.00 61.31 H new ATOM 0 HD3 LYS A 763 -4.953 1.645 -10.183 1.00 61.31 H new ATOM 0 HE2 LYS A 763 -4.544 3.536 -11.862 1.00 54.05 H new ATOM 0 HE3 LYS A 763 -3.616 2.387 -12.804 1.00 54.05 H new ATOM 0 HZ1 LYS A 763 -6.034 2.618 -13.398 1.00 34.13 H new ATOM 0 HZ2 LYS A 763 -5.499 1.029 -13.127 1.00 34.13 H new ATOM 0 HZ3 LYS A 763 -6.402 1.836 -11.936 1.00 34.13 H new ATOM 898 N VAL A 764 -1.801 4.655 -7.145 1.00 61.32 N ATOM 899 CA VAL A 764 -2.397 5.840 -6.551 1.00 42.52 C ATOM 900 C VAL A 764 -2.479 6.980 -7.560 1.00 41.52 C ATOM 901 O VAL A 764 -1.495 7.677 -7.809 1.00 62.42 O ATOM 902 CB VAL A 764 -1.609 6.300 -5.306 1.00 33.52 C ATOM 903 CG1 VAL A 764 -2.275 7.500 -4.649 1.00 13.24 C ATOM 904 CG2 VAL A 764 -1.477 5.154 -4.318 1.00 54.05 C ATOM 0 H VAL A 764 -0.836 4.774 -7.454 1.00 61.32 H new ATOM 0 HA VAL A 764 -3.408 5.571 -6.243 1.00 42.52 H new ATOM 0 HB VAL A 764 -0.612 6.605 -5.625 1.00 33.52 H new ATOM 0 HG11 VAL A 764 -1.699 7.803 -3.775 1.00 13.24 H new ATOM 0 HG12 VAL A 764 -2.318 8.326 -5.359 1.00 13.24 H new ATOM 0 HG13 VAL A 764 -3.286 7.232 -4.342 1.00 13.24 H new ATOM 0 HG21 VAL A 764 -0.919 5.490 -3.444 1.00 54.05 H new ATOM 0 HG22 VAL A 764 -2.469 4.823 -4.011 1.00 54.05 H new ATOM 0 HG23 VAL A 764 -0.948 4.326 -4.790 1.00 54.05 H new ATOM 914 N GLY A 765 -3.654 7.136 -8.159 1.00 61.01 N ATOM 915 CA GLY A 765 -3.896 8.229 -9.087 1.00 3.25 C ATOM 916 C GLY A 765 -2.976 8.202 -10.293 1.00 13.43 C ATOM 917 O GLY A 765 -2.546 9.250 -10.776 1.00 14.33 O ATOM 0 H GLY A 765 -4.453 6.518 -8.017 1.00 61.01 H new ATOM 0 HA2 GLY A 765 -4.931 8.187 -9.426 1.00 3.25 H new ATOM 0 HA3 GLY A 765 -3.771 9.177 -8.563 1.00 3.25 H new ATOM 921 N GLY A 766 -2.677 7.010 -10.783 1.00 3.15 N ATOM 922 CA GLY A 766 -1.801 6.884 -11.931 1.00 51.42 C ATOM 923 C GLY A 766 -0.358 6.643 -11.539 1.00 52.44 C ATOM 924 O GLY A 766 0.457 6.237 -12.368 1.00 72.23 O ATOM 0 H GLY A 766 -3.024 6.127 -10.408 1.00 3.15 H new ATOM 0 HA2 GLY A 766 -2.146 6.061 -12.558 1.00 51.42 H new ATOM 0 HA3 GLY A 766 -1.864 7.791 -12.532 1.00 51.42 H new ATOM 928 N ARG A 767 -0.030 6.904 -10.281 1.00 11.02 N ATOM 929 CA ARG A 767 1.309 6.644 -9.773 1.00 20.13 C ATOM 930 C ARG A 767 1.385 5.238 -9.199 1.00 41.22 C ATOM 931 O ARG A 767 0.544 4.843 -8.397 1.00 33.41 O ATOM 932 CB ARG A 767 1.700 7.672 -8.710 1.00 14.53 C ATOM 933 CG ARG A 767 2.069 9.031 -9.277 1.00 23.11 C ATOM 934 CD ARG A 767 2.544 9.981 -8.187 1.00 22.45 C ATOM 935 NE ARG A 767 3.203 11.160 -8.745 1.00 32.44 N ATOM 936 CZ ARG A 767 4.035 11.949 -8.062 1.00 63.42 C ATOM 937 NH1 ARG A 767 4.238 11.757 -6.763 1.00 22.34 N ATOM 938 NH2 ARG A 767 4.652 12.946 -8.684 1.00 4.51 N ATOM 0 H ARG A 767 -0.674 7.296 -9.593 1.00 11.02 H new ATOM 0 HA ARG A 767 2.012 6.729 -10.601 1.00 20.13 H new ATOM 0 HB2 ARG A 767 0.871 7.793 -8.013 1.00 14.53 H new ATOM 0 HB3 ARG A 767 2.544 7.286 -8.138 1.00 14.53 H new ATOM 0 HG2 ARG A 767 2.853 8.913 -10.025 1.00 23.11 H new ATOM 0 HG3 ARG A 767 1.206 9.461 -9.785 1.00 23.11 H new ATOM 0 HD2 ARG A 767 1.694 10.293 -7.580 1.00 22.45 H new ATOM 0 HD3 ARG A 767 3.234 9.458 -7.524 1.00 22.45 H new ATOM 0 HE ARG A 767 3.015 11.395 -9.720 1.00 32.44 H new ATOM 0 HH11 ARG A 767 3.756 11.000 -6.278 1.00 22.34 H new ATOM 0 HH12 ARG A 767 4.876 12.366 -6.251 1.00 22.34 H new ATOM 0 HH21 ARG A 767 4.489 13.106 -9.678 1.00 4.51 H new ATOM 0 HH22 ARG A 767 5.289 13.553 -8.168 1.00 4.51 H new ATOM 952 N TRP A 768 2.384 4.483 -9.623 1.00 23.15 N ATOM 953 CA TRP A 768 2.517 3.095 -9.209 1.00 4.12 C ATOM 954 C TRP A 768 3.655 2.944 -8.209 1.00 11.13 C ATOM 955 O TRP A 768 4.826 2.887 -8.595 1.00 43.10 O ATOM 956 CB TRP A 768 2.778 2.202 -10.427 1.00 12.40 C ATOM 957 CG TRP A 768 1.698 2.273 -11.465 1.00 44.22 C ATOM 958 CD1 TRP A 768 1.538 3.240 -12.417 1.00 12.31 C ATOM 959 CD2 TRP A 768 0.636 1.336 -11.663 1.00 40.34 C ATOM 960 NE1 TRP A 768 0.433 2.968 -13.183 1.00 41.44 N ATOM 961 CE2 TRP A 768 -0.135 1.802 -12.745 1.00 3.54 C ATOM 962 CE3 TRP A 768 0.260 0.149 -11.030 1.00 70.44 C ATOM 963 CZ2 TRP A 768 -1.258 1.125 -13.205 1.00 72.24 C ATOM 964 CZ3 TRP A 768 -0.854 -0.524 -11.493 1.00 42.01 C ATOM 965 CH2 TRP A 768 -1.601 -0.035 -12.568 1.00 22.33 C ATOM 0 H TRP A 768 3.116 4.808 -10.255 1.00 23.15 H new ATOM 0 HA TRP A 768 1.586 2.788 -8.733 1.00 4.12 H new ATOM 0 HB2 TRP A 768 3.726 2.489 -10.881 1.00 12.40 H new ATOM 0 HB3 TRP A 768 2.883 1.169 -10.094 1.00 12.40 H new ATOM 0 HD1 TRP A 768 2.187 4.094 -12.547 1.00 12.31 H new ATOM 0 HE1 TRP A 768 0.090 3.541 -13.954 1.00 41.44 H new ATOM 0 HE3 TRP A 768 0.829 -0.235 -10.196 1.00 70.44 H new ATOM 0 HZ2 TRP A 768 -1.838 1.501 -14.035 1.00 72.24 H new ATOM 0 HZ3 TRP A 768 -1.153 -1.445 -11.015 1.00 42.01 H new ATOM 0 HH2 TRP A 768 -2.468 -0.585 -12.903 1.00 22.33 H new ATOM 976 N PHE A 769 3.315 2.891 -6.928 1.00 30.35 N ATOM 977 CA PHE A 769 4.313 2.766 -5.874 1.00 32.12 C ATOM 978 C PHE A 769 3.637 2.487 -4.534 1.00 41.25 C ATOM 979 O PHE A 769 2.618 3.091 -4.207 1.00 12.32 O ATOM 980 CB PHE A 769 5.177 4.038 -5.775 1.00 23.44 C ATOM 981 CG PHE A 769 4.450 5.246 -5.248 1.00 1.14 C ATOM 982 CD1 PHE A 769 3.658 6.018 -6.081 1.00 71.02 C ATOM 983 CD2 PHE A 769 4.560 5.605 -3.914 1.00 22.13 C ATOM 984 CE1 PHE A 769 2.991 7.126 -5.593 1.00 24.12 C ATOM 985 CE2 PHE A 769 3.893 6.709 -3.421 1.00 41.14 C ATOM 986 CZ PHE A 769 3.107 7.471 -4.262 1.00 25.13 C ATOM 0 H PHE A 769 2.353 2.933 -6.593 1.00 30.35 H new ATOM 0 HA PHE A 769 4.965 1.929 -6.125 1.00 32.12 H new ATOM 0 HB2 PHE A 769 6.031 3.833 -5.129 1.00 23.44 H new ATOM 0 HB3 PHE A 769 5.574 4.271 -6.763 1.00 23.44 H new ATOM 0 HD1 PHE A 769 3.560 5.752 -7.123 1.00 71.02 H new ATOM 0 HD2 PHE A 769 5.175 5.014 -3.252 1.00 22.13 H new ATOM 0 HE1 PHE A 769 2.379 7.722 -6.254 1.00 24.12 H new ATOM 0 HE2 PHE A 769 3.986 6.976 -2.379 1.00 41.14 H new ATOM 0 HZ PHE A 769 2.584 8.335 -3.879 1.00 25.13 H new ATOM 996 N PRO A 770 4.189 1.556 -3.749 1.00 61.15 N ATOM 997 CA PRO A 770 5.340 0.763 -4.136 1.00 72.14 C ATOM 998 C PRO A 770 4.932 -0.583 -4.736 1.00 63.23 C ATOM 999 O PRO A 770 3.744 -0.897 -4.827 1.00 63.22 O ATOM 1000 CB PRO A 770 6.038 0.559 -2.798 1.00 35.44 C ATOM 1001 CG PRO A 770 4.922 0.462 -1.808 1.00 25.42 C ATOM 1002 CD PRO A 770 3.747 1.218 -2.391 1.00 54.14 C ATOM 0 HA PRO A 770 5.952 1.239 -4.902 1.00 72.14 H new ATOM 0 HB2 PRO A 770 6.646 -0.345 -2.801 1.00 35.44 H new ATOM 0 HB3 PRO A 770 6.704 1.390 -2.566 1.00 35.44 H new ATOM 0 HG2 PRO A 770 4.658 -0.580 -1.625 1.00 25.42 H new ATOM 0 HG3 PRO A 770 5.218 0.889 -0.850 1.00 25.42 H new ATOM 0 HD2 PRO A 770 2.845 0.607 -2.404 1.00 54.14 H new ATOM 0 HD3 PRO A 770 3.518 2.112 -1.810 1.00 54.14 H new ATOM 1010 N ALA A 771 5.916 -1.373 -5.140 1.00 4.01 N ATOM 1011 CA ALA A 771 5.664 -2.717 -5.633 1.00 62.32 C ATOM 1012 C ALA A 771 6.300 -3.739 -4.702 1.00 62.34 C ATOM 1013 O ALA A 771 7.518 -3.921 -4.705 1.00 1.43 O ATOM 1014 CB ALA A 771 6.200 -2.875 -7.049 1.00 23.21 C ATOM 0 H ALA A 771 6.900 -1.104 -5.135 1.00 4.01 H new ATOM 0 HA ALA A 771 4.588 -2.887 -5.657 1.00 62.32 H new ATOM 0 HB1 ALA A 771 6.003 -3.887 -7.402 1.00 23.21 H new ATOM 0 HB2 ALA A 771 5.707 -2.159 -7.707 1.00 23.21 H new ATOM 0 HB3 ALA A 771 7.275 -2.692 -7.054 1.00 23.21 H new ATOM 1020 N VAL A 772 5.478 -4.392 -3.896 1.00 72.00 N ATOM 1021 CA VAL A 772 5.975 -5.330 -2.899 1.00 33.22 C ATOM 1022 C VAL A 772 5.544 -6.752 -3.224 1.00 5.15 C ATOM 1023 O VAL A 772 4.642 -6.972 -4.032 1.00 42.11 O ATOM 1024 CB VAL A 772 5.494 -4.964 -1.477 1.00 25.30 C ATOM 1025 CG1 VAL A 772 6.043 -3.609 -1.054 1.00 71.13 C ATOM 1026 CG2 VAL A 772 3.974 -4.974 -1.401 1.00 44.32 C ATOM 0 H VAL A 772 4.463 -4.291 -3.912 1.00 72.00 H new ATOM 0 HA VAL A 772 7.063 -5.267 -2.925 1.00 33.22 H new ATOM 0 HB VAL A 772 5.874 -5.717 -0.787 1.00 25.30 H new ATOM 0 HG11 VAL A 772 5.692 -3.371 -0.050 1.00 71.13 H new ATOM 0 HG12 VAL A 772 7.133 -3.640 -1.059 1.00 71.13 H new ATOM 0 HG13 VAL A 772 5.698 -2.844 -1.749 1.00 71.13 H new ATOM 0 HG21 VAL A 772 3.658 -4.713 -0.391 1.00 44.32 H new ATOM 0 HG22 VAL A 772 3.570 -4.248 -2.106 1.00 44.32 H new ATOM 0 HG23 VAL A 772 3.604 -5.968 -1.652 1.00 44.32 H new ATOM 1036 N CYS A 773 6.189 -7.713 -2.590 1.00 12.23 N ATOM 1037 CA CYS A 773 5.876 -9.113 -2.804 1.00 1.32 C ATOM 1038 C CYS A 773 5.626 -9.806 -1.470 1.00 63.25 C ATOM 1039 O CYS A 773 6.505 -9.846 -0.607 1.00 51.31 O ATOM 1040 CB CYS A 773 7.016 -9.793 -3.562 1.00 63.03 C ATOM 1041 SG CYS A 773 8.651 -9.541 -2.824 1.00 12.25 S ATOM 0 H CYS A 773 6.938 -7.548 -1.918 1.00 12.23 H new ATOM 0 HA CYS A 773 4.969 -9.188 -3.404 1.00 1.32 H new ATOM 0 HB2 CYS A 773 6.815 -10.863 -3.616 1.00 63.03 H new ATOM 0 HB3 CYS A 773 7.030 -9.420 -4.586 1.00 63.03 H new ATOM 0 HG CYS A 773 8.541 -9.501 -1.529 1.00 12.25 H new ATOM 1047 N ALA A 774 4.425 -10.337 -1.298 1.00 50.24 N ATOM 1048 CA ALA A 774 4.051 -10.998 -0.058 1.00 73.44 C ATOM 1049 C ALA A 774 3.315 -12.298 -0.345 1.00 41.05 C ATOM 1050 O ALA A 774 2.546 -12.382 -1.298 1.00 53.22 O ATOM 1051 CB ALA A 774 3.194 -10.075 0.794 1.00 25.23 C ATOM 0 H ALA A 774 3.690 -10.323 -2.005 1.00 50.24 H new ATOM 0 HA ALA A 774 4.960 -11.236 0.495 1.00 73.44 H new ATOM 0 HB1 ALA A 774 2.921 -10.583 1.719 1.00 25.23 H new ATOM 0 HB2 ALA A 774 3.755 -9.171 1.028 1.00 25.23 H new ATOM 0 HB3 ALA A 774 2.290 -9.809 0.246 1.00 25.23 H new ATOM 1057 N HIS A 775 3.539 -13.305 0.488 1.00 3.42 N ATOM 1058 CA HIS A 775 2.934 -14.627 0.287 1.00 32.45 C ATOM 1059 C HIS A 775 1.456 -14.662 0.687 1.00 11.21 C ATOM 1060 O HIS A 775 0.880 -15.734 0.856 1.00 1.33 O ATOM 1061 CB HIS A 775 3.719 -15.719 1.038 1.00 2.34 C ATOM 1062 CG HIS A 775 3.980 -15.432 2.488 1.00 32.13 C ATOM 1063 ND1 HIS A 775 5.135 -15.819 3.129 1.00 73.35 N ATOM 1064 CD2 HIS A 775 3.236 -14.789 3.420 1.00 25.24 C ATOM 1065 CE1 HIS A 775 5.092 -15.426 4.387 1.00 43.41 C ATOM 1066 NE2 HIS A 775 3.950 -14.797 4.590 1.00 12.43 N ATOM 0 H HIS A 775 4.135 -13.238 1.313 1.00 3.42 H new ATOM 0 HA HIS A 775 2.986 -14.831 -0.782 1.00 32.45 H new ATOM 0 HB2 HIS A 775 3.169 -16.657 0.963 1.00 2.34 H new ATOM 0 HB3 HIS A 775 4.675 -15.868 0.535 1.00 2.34 H new ATOM 0 HD1 HIS A 775 5.905 -16.331 2.698 1.00 73.35 H new ATOM 0 HD2 HIS A 775 2.260 -14.351 3.269 1.00 25.24 H new ATOM 0 HE1 HIS A 775 5.862 -15.591 5.126 1.00 43.41 H new ATOM 1075 N SER A 776 0.846 -13.493 0.821 1.00 4.12 N ATOM 1076 CA SER A 776 -0.572 -13.398 1.142 1.00 21.14 C ATOM 1077 C SER A 776 -1.168 -12.163 0.473 1.00 15.30 C ATOM 1078 O SER A 776 -0.529 -11.109 0.428 1.00 24.25 O ATOM 1079 CB SER A 776 -0.777 -13.319 2.655 1.00 40.55 C ATOM 1080 OG SER A 776 -0.049 -14.332 3.329 1.00 42.44 O ATOM 0 H SER A 776 1.313 -12.593 0.712 1.00 4.12 H new ATOM 0 HA SER A 776 -1.075 -14.291 0.771 1.00 21.14 H new ATOM 0 HB2 SER A 776 -0.461 -12.340 3.016 1.00 40.55 H new ATOM 0 HB3 SER A 776 -1.838 -13.416 2.886 1.00 40.55 H new ATOM 0 HG SER A 776 -0.199 -14.255 4.294 1.00 42.44 H new ATOM 1086 N LYS A 777 -2.383 -12.299 -0.043 1.00 54.52 N ATOM 1087 CA LYS A 777 -3.052 -11.205 -0.741 1.00 41.34 C ATOM 1088 C LYS A 777 -3.267 -10.011 0.182 1.00 20.40 C ATOM 1089 O LYS A 777 -2.988 -8.870 -0.193 1.00 2.02 O ATOM 1090 CB LYS A 777 -4.388 -11.690 -1.316 1.00 65.21 C ATOM 1091 CG LYS A 777 -5.160 -10.632 -2.090 1.00 1.50 C ATOM 1092 CD LYS A 777 -6.310 -10.055 -1.280 1.00 13.22 C ATOM 1093 CE LYS A 777 -7.335 -11.123 -0.932 1.00 4.31 C ATOM 1094 NZ LYS A 777 -8.501 -10.557 -0.210 1.00 14.33 N ATOM 0 H LYS A 777 -2.928 -13.159 0.008 1.00 54.52 H new ATOM 0 HA LYS A 777 -2.411 -10.879 -1.560 1.00 41.34 H new ATOM 0 HB2 LYS A 777 -4.200 -12.539 -1.973 1.00 65.21 H new ATOM 0 HB3 LYS A 777 -5.012 -12.052 -0.499 1.00 65.21 H new ATOM 0 HG2 LYS A 777 -4.482 -9.829 -2.379 1.00 1.50 H new ATOM 0 HG3 LYS A 777 -5.549 -11.068 -3.010 1.00 1.50 H new ATOM 0 HD2 LYS A 777 -5.923 -9.608 -0.364 1.00 13.22 H new ATOM 0 HD3 LYS A 777 -6.791 -9.257 -1.846 1.00 13.22 H new ATOM 0 HE2 LYS A 777 -7.676 -11.611 -1.845 1.00 4.31 H new ATOM 0 HE3 LYS A 777 -6.865 -11.891 -0.317 1.00 4.31 H new ATOM 0 HZ1 LYS A 777 -9.176 -11.317 0.009 1.00 14.33 H new ATOM 0 HZ2 LYS A 777 -8.180 -10.114 0.674 1.00 14.33 H new ATOM 0 HZ3 LYS A 777 -8.965 -9.843 -0.806 1.00 14.33 H new ATOM 1108 N LYS A 778 -3.755 -10.267 1.393 1.00 3.23 N ATOM 1109 CA LYS A 778 -3.991 -9.191 2.349 1.00 5.41 C ATOM 1110 C LYS A 778 -2.671 -8.561 2.778 1.00 62.11 C ATOM 1111 O LYS A 778 -2.590 -7.352 2.976 1.00 14.12 O ATOM 1112 CB LYS A 778 -4.772 -9.685 3.573 1.00 42.43 C ATOM 1113 CG LYS A 778 -4.070 -10.763 4.380 1.00 62.12 C ATOM 1114 CD LYS A 778 -4.857 -11.105 5.632 1.00 11.12 C ATOM 1115 CE LYS A 778 -4.186 -12.210 6.427 1.00 50.15 C ATOM 1116 NZ LYS A 778 -4.935 -12.538 7.667 1.00 1.14 N ATOM 0 H LYS A 778 -3.992 -11.199 1.732 1.00 3.23 H new ATOM 0 HA LYS A 778 -4.598 -8.434 1.852 1.00 5.41 H new ATOM 0 HB2 LYS A 778 -4.974 -8.835 4.225 1.00 42.43 H new ATOM 0 HB3 LYS A 778 -5.737 -10.069 3.241 1.00 42.43 H new ATOM 0 HG2 LYS A 778 -3.946 -11.657 3.769 1.00 62.12 H new ATOM 0 HG3 LYS A 778 -3.071 -10.424 4.655 1.00 62.12 H new ATOM 0 HD2 LYS A 778 -4.956 -10.216 6.255 1.00 11.12 H new ATOM 0 HD3 LYS A 778 -5.865 -11.415 5.356 1.00 11.12 H new ATOM 0 HE2 LYS A 778 -4.102 -13.103 5.807 1.00 50.15 H new ATOM 0 HE3 LYS A 778 -3.172 -11.906 6.686 1.00 50.15 H new ATOM 0 HZ1 LYS A 778 -4.442 -13.297 8.180 1.00 1.14 H new ATOM 0 HZ2 LYS A 778 -4.993 -11.693 8.271 1.00 1.14 H new ATOM 0 HZ3 LYS A 778 -5.895 -12.853 7.420 1.00 1.14 H new ATOM 1130 N GLN A 779 -1.633 -9.384 2.888 1.00 42.14 N ATOM 1131 CA GLN A 779 -0.309 -8.893 3.242 1.00 5.11 C ATOM 1132 C GLN A 779 0.206 -7.958 2.161 1.00 10.13 C ATOM 1133 O GLN A 779 0.740 -6.897 2.460 1.00 60.32 O ATOM 1134 CB GLN A 779 0.672 -10.048 3.439 1.00 3.23 C ATOM 1135 CG GLN A 779 0.346 -10.932 4.629 1.00 53.13 C ATOM 1136 CD GLN A 779 0.462 -10.201 5.948 1.00 1.50 C ATOM 1137 OE1 GLN A 779 -0.500 -9.609 6.429 1.00 54.53 O ATOM 1138 NE2 GLN A 779 1.636 -10.258 6.553 1.00 61.42 N ATOM 0 H GLN A 779 -1.684 -10.391 2.737 1.00 42.14 H new ATOM 0 HA GLN A 779 -0.390 -8.349 4.183 1.00 5.11 H new ATOM 0 HB2 GLN A 779 0.685 -10.659 2.537 1.00 3.23 H new ATOM 0 HB3 GLN A 779 1.676 -9.642 3.564 1.00 3.23 H new ATOM 0 HG2 GLN A 779 -0.667 -11.320 4.521 1.00 53.13 H new ATOM 0 HG3 GLN A 779 1.018 -11.790 4.634 1.00 53.13 H new ATOM 0 HE21 GLN A 779 2.410 -10.761 6.118 1.00 61.42 H new ATOM 0 HE22 GLN A 779 1.768 -9.799 7.454 1.00 61.42 H new ATOM 1147 N GLY A 780 0.022 -8.355 0.905 1.00 42.32 N ATOM 1148 CA GLY A 780 0.437 -7.524 -0.210 1.00 35.01 C ATOM 1149 C GLY A 780 -0.215 -6.157 -0.170 1.00 4.30 C ATOM 1150 O GLY A 780 0.427 -5.146 -0.438 1.00 31.14 O ATOM 0 H GLY A 780 -0.409 -9.241 0.640 1.00 42.32 H new ATOM 0 HA2 GLY A 780 1.521 -7.410 -0.194 1.00 35.01 H new ATOM 0 HA3 GLY A 780 0.183 -8.020 -1.147 1.00 35.01 H new ATOM 1154 N LYS A 781 -1.494 -6.132 0.186 1.00 12.41 N ATOM 1155 CA LYS A 781 -2.234 -4.883 0.302 1.00 75.33 C ATOM 1156 C LYS A 781 -1.692 -4.035 1.452 1.00 72.32 C ATOM 1157 O LYS A 781 -1.451 -2.839 1.290 1.00 4.20 O ATOM 1158 CB LYS A 781 -3.724 -5.160 0.523 1.00 53.24 C ATOM 1159 CG LYS A 781 -4.400 -5.871 -0.641 1.00 51.41 C ATOM 1160 CD LYS A 781 -5.842 -6.237 -0.316 1.00 2.35 C ATOM 1161 CE LYS A 781 -6.714 -5.006 -0.096 1.00 62.44 C ATOM 1162 NZ LYS A 781 -6.833 -4.177 -1.326 1.00 51.24 N ATOM 0 H LYS A 781 -2.041 -6.966 0.400 1.00 12.41 H new ATOM 0 HA LYS A 781 -2.108 -4.332 -0.630 1.00 75.33 H new ATOM 0 HB2 LYS A 781 -3.841 -5.765 1.422 1.00 53.24 H new ATOM 0 HB3 LYS A 781 -4.236 -4.215 0.705 1.00 53.24 H new ATOM 0 HG2 LYS A 781 -4.377 -5.230 -1.522 1.00 51.41 H new ATOM 0 HG3 LYS A 781 -3.842 -6.774 -0.889 1.00 51.41 H new ATOM 0 HD2 LYS A 781 -6.256 -6.832 -1.130 1.00 2.35 H new ATOM 0 HD3 LYS A 781 -5.864 -6.860 0.578 1.00 2.35 H new ATOM 0 HE2 LYS A 781 -7.707 -5.319 0.227 1.00 62.44 H new ATOM 0 HE3 LYS A 781 -6.292 -4.403 0.708 1.00 62.44 H new ATOM 0 HZ1 LYS A 781 -7.823 -3.885 -1.453 1.00 51.24 H new ATOM 0 HZ2 LYS A 781 -6.232 -3.333 -1.236 1.00 51.24 H new ATOM 0 HZ3 LYS A 781 -6.528 -4.733 -2.150 1.00 51.24 H new ATOM 1176 N GLN A 782 -1.493 -4.666 2.603 1.00 53.52 N ATOM 1177 CA GLN A 782 -1.039 -3.962 3.798 1.00 33.24 C ATOM 1178 C GLN A 782 0.398 -3.471 3.638 1.00 65.31 C ATOM 1179 O GLN A 782 0.690 -2.309 3.914 1.00 65.33 O ATOM 1180 CB GLN A 782 -1.154 -4.866 5.026 1.00 53.34 C ATOM 1181 CG GLN A 782 -2.570 -5.360 5.277 1.00 14.03 C ATOM 1182 CD GLN A 782 -2.680 -6.275 6.482 1.00 51.41 C ATOM 1183 OE1 GLN A 782 -1.600 -6.964 6.814 1.00 21.33 O flip ATOM 1184 NE2 GLN A 782 -3.728 -6.353 7.122 1.00 44.21 N flip ATOM 0 H GLN A 782 -1.639 -5.667 2.735 1.00 53.52 H new ATOM 0 HA GLN A 782 -1.681 -3.092 3.937 1.00 33.24 H new ATOM 0 HB2 GLN A 782 -0.494 -5.724 4.900 1.00 53.34 H new ATOM 0 HB3 GLN A 782 -0.805 -4.322 5.904 1.00 53.34 H new ATOM 0 HG2 GLN A 782 -3.227 -4.502 5.419 1.00 14.03 H new ATOM 0 HG3 GLN A 782 -2.925 -5.890 4.393 1.00 14.03 H new ATOM 0 HE21 GLN A 782 -4.541 -5.807 6.837 1.00 44.21 H new ATOM 0 HE22 GLN A 782 -3.783 -6.963 7.937 1.00 44.21 H new ATOM 1193 N GLU A 783 1.280 -4.356 3.183 1.00 43.11 N ATOM 1194 CA GLU A 783 2.684 -4.007 2.972 1.00 34.41 C ATOM 1195 C GLU A 783 2.818 -2.854 1.981 1.00 0.15 C ATOM 1196 O GLU A 783 3.560 -1.901 2.222 1.00 1.04 O ATOM 1197 CB GLU A 783 3.471 -5.218 2.462 1.00 53.44 C ATOM 1198 CG GLU A 783 3.622 -6.334 3.485 1.00 2.35 C ATOM 1199 CD GLU A 783 4.428 -5.911 4.693 1.00 62.24 C ATOM 1200 OE1 GLU A 783 5.581 -5.462 4.516 1.00 31.25 O ATOM 1201 OE2 GLU A 783 3.922 -6.042 5.828 1.00 52.21 O ATOM 0 H GLU A 783 1.048 -5.322 2.953 1.00 43.11 H new ATOM 0 HA GLU A 783 3.095 -3.693 3.932 1.00 34.41 H new ATOM 0 HB2 GLU A 783 2.974 -5.615 1.577 1.00 53.44 H new ATOM 0 HB3 GLU A 783 4.462 -4.889 2.150 1.00 53.44 H new ATOM 0 HG2 GLU A 783 2.634 -6.661 3.809 1.00 2.35 H new ATOM 0 HG3 GLU A 783 4.103 -7.191 3.014 1.00 2.35 H new ATOM 1208 N ALA A 784 2.090 -2.943 0.871 1.00 13.12 N ATOM 1209 CA ALA A 784 2.134 -1.909 -0.154 1.00 11.52 C ATOM 1210 C ALA A 784 1.623 -0.584 0.390 1.00 75.51 C ATOM 1211 O ALA A 784 2.262 0.450 0.224 1.00 22.34 O ATOM 1212 CB ALA A 784 1.325 -2.324 -1.375 1.00 24.11 C ATOM 0 H ALA A 784 1.464 -3.720 0.660 1.00 13.12 H new ATOM 0 HA ALA A 784 3.174 -1.780 -0.454 1.00 11.52 H new ATOM 0 HB1 ALA A 784 1.372 -1.537 -2.127 1.00 24.11 H new ATOM 0 HB2 ALA A 784 1.736 -3.245 -1.788 1.00 24.11 H new ATOM 0 HB3 ALA A 784 0.287 -2.487 -1.085 1.00 24.11 H new ATOM 1218 N ALA A 785 0.478 -0.626 1.057 1.00 20.33 N ATOM 1219 CA ALA A 785 -0.129 0.574 1.607 1.00 21.34 C ATOM 1220 C ALA A 785 0.771 1.211 2.659 1.00 4.10 C ATOM 1221 O ALA A 785 0.935 2.428 2.688 1.00 2.44 O ATOM 1222 CB ALA A 785 -1.491 0.253 2.196 1.00 31.32 C ATOM 0 H ALA A 785 -0.049 -1.482 1.230 1.00 20.33 H new ATOM 0 HA ALA A 785 -0.258 1.291 0.797 1.00 21.34 H new ATOM 0 HB1 ALA A 785 -1.934 1.161 2.604 1.00 31.32 H new ATOM 0 HB2 ALA A 785 -2.139 -0.148 1.417 1.00 31.32 H new ATOM 0 HB3 ALA A 785 -1.379 -0.485 2.990 1.00 31.32 H new ATOM 1228 N ASP A 786 1.360 0.373 3.509 1.00 70.35 N ATOM 1229 CA ASP A 786 2.261 0.843 4.558 1.00 71.50 C ATOM 1230 C ASP A 786 3.437 1.584 3.944 1.00 72.43 C ATOM 1231 O ASP A 786 3.682 2.749 4.256 1.00 55.14 O ATOM 1232 CB ASP A 786 2.771 -0.337 5.389 1.00 55.42 C ATOM 1233 CG ASP A 786 3.487 0.092 6.659 1.00 34.42 C ATOM 1234 OD1 ASP A 786 4.626 0.599 6.575 1.00 51.15 O ATOM 1235 OD2 ASP A 786 2.921 -0.108 7.755 1.00 65.15 O ATOM 0 H ASP A 786 1.229 -0.638 3.491 1.00 70.35 H new ATOM 0 HA ASP A 786 1.711 1.522 5.209 1.00 71.50 H new ATOM 0 HB2 ASP A 786 1.930 -0.978 5.652 1.00 55.42 H new ATOM 0 HB3 ASP A 786 3.450 -0.935 4.781 1.00 55.42 H new ATOM 1240 N ALA A 787 4.139 0.906 3.040 1.00 55.13 N ATOM 1241 CA ALA A 787 5.306 1.477 2.383 1.00 71.21 C ATOM 1242 C ALA A 787 4.934 2.719 1.579 1.00 4.42 C ATOM 1243 O ALA A 787 5.710 3.671 1.500 1.00 21.32 O ATOM 1244 CB ALA A 787 5.971 0.440 1.491 1.00 3.25 C ATOM 0 H ALA A 787 3.916 -0.045 2.746 1.00 55.13 H new ATOM 0 HA ALA A 787 6.014 1.780 3.154 1.00 71.21 H new ATOM 0 HB1 ALA A 787 6.842 0.882 1.007 1.00 3.25 H new ATOM 0 HB2 ALA A 787 6.284 -0.412 2.095 1.00 3.25 H new ATOM 0 HB3 ALA A 787 5.264 0.106 0.732 1.00 3.25 H new ATOM 1250 N ALA A 788 3.738 2.711 0.997 1.00 32.33 N ATOM 1251 CA ALA A 788 3.258 3.847 0.222 1.00 2.31 C ATOM 1252 C ALA A 788 3.159 5.093 1.090 1.00 23.34 C ATOM 1253 O ALA A 788 3.561 6.182 0.676 1.00 65.24 O ATOM 1254 CB ALA A 788 1.909 3.536 -0.410 1.00 34.34 C ATOM 0 H ALA A 788 3.085 1.929 1.048 1.00 32.33 H new ATOM 0 HA ALA A 788 3.978 4.039 -0.574 1.00 2.31 H new ATOM 0 HB1 ALA A 788 1.569 4.398 -0.984 1.00 34.34 H new ATOM 0 HB2 ALA A 788 2.007 2.675 -1.071 1.00 34.34 H new ATOM 0 HB3 ALA A 788 1.184 3.312 0.372 1.00 34.34 H new ATOM 1260 N LEU A 789 2.644 4.928 2.307 1.00 4.33 N ATOM 1261 CA LEU A 789 2.493 6.049 3.222 1.00 22.42 C ATOM 1262 C LEU A 789 3.861 6.582 3.628 1.00 51.25 C ATOM 1263 O LEU A 789 4.031 7.785 3.811 1.00 13.33 O ATOM 1264 CB LEU A 789 1.689 5.646 4.466 1.00 13.22 C ATOM 1265 CG LEU A 789 0.347 4.967 4.188 1.00 74.34 C ATOM 1266 CD1 LEU A 789 -0.417 4.739 5.483 1.00 25.15 C ATOM 1267 CD2 LEU A 789 -0.478 5.789 3.210 1.00 52.12 C ATOM 0 H LEU A 789 2.327 4.032 2.678 1.00 4.33 H new ATOM 0 HA LEU A 789 1.942 6.836 2.706 1.00 22.42 H new ATOM 0 HB2 LEU A 789 2.299 4.974 5.070 1.00 13.22 H new ATOM 0 HB3 LEU A 789 1.508 6.538 5.066 1.00 13.22 H new ATOM 0 HG LEU A 789 0.542 3.996 3.734 1.00 74.34 H new ATOM 0 HD11 LEU A 789 -1.369 4.255 5.264 1.00 25.15 H new ATOM 0 HD12 LEU A 789 0.170 4.102 6.144 1.00 25.15 H new ATOM 0 HD13 LEU A 789 -0.601 5.696 5.970 1.00 25.15 H new ATOM 0 HD21 LEU A 789 -1.429 5.289 3.026 1.00 52.12 H new ATOM 0 HD22 LEU A 789 -0.664 6.777 3.631 1.00 52.12 H new ATOM 0 HD23 LEU A 789 0.066 5.891 2.271 1.00 52.12 H new ATOM 1279 N ARG A 790 4.839 5.683 3.736 1.00 25.13 N ATOM 1280 CA ARG A 790 6.203 6.077 4.089 1.00 44.15 C ATOM 1281 C ARG A 790 6.753 7.014 3.023 1.00 45.43 C ATOM 1282 O ARG A 790 7.350 8.046 3.331 1.00 43.32 O ATOM 1283 CB ARG A 790 7.126 4.857 4.208 1.00 62.13 C ATOM 1284 CG ARG A 790 6.483 3.635 4.844 1.00 61.11 C ATOM 1285 CD ARG A 790 5.988 3.901 6.256 1.00 52.04 C ATOM 1286 NE ARG A 790 7.080 4.043 7.212 1.00 72.41 N ATOM 1287 CZ ARG A 790 7.226 3.271 8.286 1.00 21.42 C ATOM 1288 NH1 ARG A 790 6.386 2.261 8.505 1.00 21.01 N ATOM 1289 NH2 ARG A 790 8.223 3.495 9.131 1.00 4.12 N ATOM 0 H ARG A 790 4.714 4.682 3.585 1.00 25.13 H new ATOM 0 HA ARG A 790 6.169 6.579 5.056 1.00 44.15 H new ATOM 0 HB2 ARG A 790 7.481 4.588 3.213 1.00 62.13 H new ATOM 0 HB3 ARG A 790 8.002 5.136 4.794 1.00 62.13 H new ATOM 0 HG2 ARG A 790 5.647 3.306 4.226 1.00 61.11 H new ATOM 0 HG3 ARG A 790 7.205 2.819 4.864 1.00 61.11 H new ATOM 0 HD2 ARG A 790 5.384 4.809 6.261 1.00 52.04 H new ATOM 0 HD3 ARG A 790 5.338 3.084 6.570 1.00 52.04 H new ATOM 0 HE ARG A 790 7.771 4.775 7.048 1.00 72.41 H new ATOM 0 HH11 ARG A 790 5.627 2.077 7.848 1.00 21.01 H new ATOM 0 HH12 ARG A 790 6.501 1.671 9.329 1.00 21.01 H new ATOM 0 HH21 ARG A 790 8.877 4.258 8.957 1.00 4.12 H new ATOM 0 HH22 ARG A 790 8.336 2.904 9.955 1.00 4.12 H new ATOM 1303 N VAL A 791 6.523 6.648 1.764 1.00 74.22 N ATOM 1304 CA VAL A 791 6.957 7.448 0.624 1.00 63.44 C ATOM 1305 C VAL A 791 6.368 8.852 0.700 1.00 10.01 C ATOM 1306 O VAL A 791 7.064 9.843 0.482 1.00 64.44 O ATOM 1307 CB VAL A 791 6.528 6.797 -0.713 1.00 4.31 C ATOM 1308 CG1 VAL A 791 7.074 7.568 -1.903 1.00 5.33 C ATOM 1309 CG2 VAL A 791 6.968 5.345 -0.774 1.00 10.53 C ATOM 0 H VAL A 791 6.032 5.791 1.507 1.00 74.22 H new ATOM 0 HA VAL A 791 8.045 7.502 0.661 1.00 63.44 H new ATOM 0 HB VAL A 791 5.440 6.830 -0.761 1.00 4.31 H new ATOM 0 HG11 VAL A 791 6.755 7.085 -2.827 1.00 5.33 H new ATOM 0 HG12 VAL A 791 6.696 8.590 -1.879 1.00 5.33 H new ATOM 0 HG13 VAL A 791 8.163 7.582 -1.859 1.00 5.33 H new ATOM 0 HG21 VAL A 791 6.655 4.910 -1.723 1.00 10.53 H new ATOM 0 HG22 VAL A 791 8.053 5.290 -0.690 1.00 10.53 H new ATOM 0 HG23 VAL A 791 6.512 4.792 0.047 1.00 10.53 H new ATOM 1319 N LEU A 792 5.085 8.921 1.026 1.00 73.55 N ATOM 1320 CA LEU A 792 4.373 10.190 1.111 1.00 44.54 C ATOM 1321 C LEU A 792 4.884 11.018 2.287 1.00 10.22 C ATOM 1322 O LEU A 792 5.253 12.184 2.133 1.00 53.14 O ATOM 1323 CB LEU A 792 2.875 9.929 1.282 1.00 54.14 C ATOM 1324 CG LEU A 792 2.276 8.921 0.301 1.00 3.33 C ATOM 1325 CD1 LEU A 792 0.825 8.636 0.650 1.00 52.43 C ATOM 1326 CD2 LEU A 792 2.400 9.425 -1.130 1.00 24.52 C ATOM 0 H LEU A 792 4.511 8.105 1.238 1.00 73.55 H new ATOM 0 HA LEU A 792 4.547 10.747 0.190 1.00 44.54 H new ATOM 0 HB2 LEU A 792 2.697 9.574 2.297 1.00 54.14 H new ATOM 0 HB3 LEU A 792 2.343 10.875 1.177 1.00 54.14 H new ATOM 0 HG LEU A 792 2.835 7.989 0.381 1.00 3.33 H new ATOM 0 HD11 LEU A 792 0.415 7.917 -0.059 1.00 52.43 H new ATOM 0 HD12 LEU A 792 0.767 8.226 1.658 1.00 52.43 H new ATOM 0 HD13 LEU A 792 0.251 9.561 0.601 1.00 52.43 H new ATOM 0 HD21 LEU A 792 1.968 8.693 -1.812 1.00 24.52 H new ATOM 0 HD22 LEU A 792 1.869 10.372 -1.230 1.00 24.52 H new ATOM 0 HD23 LEU A 792 3.452 9.572 -1.374 1.00 24.52 H new ATOM 1338 N ILE A 793 4.908 10.394 3.459 1.00 25.32 N ATOM 1339 CA ILE A 793 5.325 11.056 4.688 1.00 72.41 C ATOM 1340 C ILE A 793 6.762 11.559 4.591 1.00 53.42 C ATOM 1341 O ILE A 793 7.046 12.710 4.922 1.00 71.13 O ATOM 1342 CB ILE A 793 5.181 10.101 5.897 1.00 75.03 C ATOM 1343 CG1 ILE A 793 3.707 9.751 6.112 1.00 23.23 C ATOM 1344 CG2 ILE A 793 5.776 10.715 7.158 1.00 43.21 C ATOM 1345 CD1 ILE A 793 3.484 8.604 7.072 1.00 73.02 C ATOM 0 H ILE A 793 4.640 9.418 3.583 1.00 25.32 H new ATOM 0 HA ILE A 793 4.672 11.917 4.834 1.00 72.41 H new ATOM 0 HB ILE A 793 5.735 9.187 5.681 1.00 75.03 H new ATOM 0 HG12 ILE A 793 3.185 10.632 6.486 1.00 23.23 H new ATOM 0 HG13 ILE A 793 3.259 9.500 5.151 1.00 23.23 H new ATOM 0 HG21 ILE A 793 5.660 10.021 7.990 1.00 43.21 H new ATOM 0 HG22 ILE A 793 6.835 10.917 6.999 1.00 43.21 H new ATOM 0 HG23 ILE A 793 5.259 11.647 7.388 1.00 43.21 H new ATOM 0 HD11 ILE A 793 2.415 8.416 7.172 1.00 73.02 H new ATOM 0 HD12 ILE A 793 3.976 7.709 6.690 1.00 73.02 H new ATOM 0 HD13 ILE A 793 3.900 8.859 8.047 1.00 73.02 H new ATOM 1357 N GLY A 794 7.658 10.704 4.117 1.00 21.54 N ATOM 1358 CA GLY A 794 9.055 11.077 4.010 1.00 42.33 C ATOM 1359 C GLY A 794 9.294 12.133 2.949 1.00 55.13 C ATOM 1360 O GLY A 794 10.248 12.904 3.039 1.00 23.50 O ATOM 0 H GLY A 794 7.442 9.757 3.804 1.00 21.54 H new ATOM 0 HA2 GLY A 794 9.403 11.449 4.973 1.00 42.33 H new ATOM 0 HA3 GLY A 794 9.647 10.192 3.777 1.00 42.33 H new ATOM 1364 N GLU A 795 8.423 12.181 1.950 1.00 52.11 N ATOM 1365 CA GLU A 795 8.557 13.145 0.865 1.00 24.23 C ATOM 1366 C GLU A 795 8.085 14.529 1.304 1.00 2.24 C ATOM 1367 O GLU A 795 8.742 15.535 1.036 1.00 61.44 O ATOM 1368 CB GLU A 795 7.749 12.690 -0.353 1.00 44.14 C ATOM 1369 CG GLU A 795 7.973 13.547 -1.588 1.00 14.03 C ATOM 1370 CD GLU A 795 9.413 13.517 -2.054 1.00 23.43 C ATOM 1371 OE1 GLU A 795 9.800 12.532 -2.717 1.00 33.12 O ATOM 1372 OE2 GLU A 795 10.159 14.475 -1.762 1.00 1.14 O ATOM 0 H GLU A 795 7.615 11.563 1.868 1.00 52.11 H new ATOM 0 HA GLU A 795 9.612 13.204 0.597 1.00 24.23 H new ATOM 0 HB2 GLU A 795 8.009 11.657 -0.586 1.00 44.14 H new ATOM 0 HB3 GLU A 795 6.689 12.702 -0.100 1.00 44.14 H new ATOM 0 HG2 GLU A 795 7.326 13.198 -2.392 1.00 14.03 H new ATOM 0 HG3 GLU A 795 7.685 14.576 -1.371 1.00 14.03 H new ATOM 1379 N ASN A 796 6.952 14.573 1.988 1.00 32.51 N ATOM 1380 CA ASN A 796 6.364 15.847 2.389 1.00 4.24 C ATOM 1381 C ASN A 796 6.871 16.264 3.762 1.00 41.43 C ATOM 1382 O ASN A 796 6.431 17.270 4.323 1.00 43.05 O ATOM 1383 CB ASN A 796 4.842 15.751 2.411 1.00 74.42 C ATOM 1384 CG ASN A 796 4.179 17.027 1.917 1.00 61.13 C ATOM 1385 OD1 ASN A 796 3.916 17.182 0.725 1.00 50.31 O ATOM 1386 ND2 ASN A 796 3.912 17.952 2.826 1.00 62.31 N ATOM 0 H ASN A 796 6.423 13.750 2.276 1.00 32.51 H new ATOM 0 HA ASN A 796 6.662 16.600 1.659 1.00 4.24 H new ATOM 0 HB2 ASN A 796 4.523 14.914 1.790 1.00 74.42 H new ATOM 0 HB3 ASN A 796 4.508 15.539 3.427 1.00 74.42 H new ATOM 0 HD21 ASN A 796 3.473 18.830 2.547 1.00 62.31 H new ATOM 0 HD22 ASN A 796 4.145 17.787 3.805 1.00 62.31 H new