USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 775 HIS : no HE2:sc= 0.14 K(o=0.11,f=-4!) USER MOD Set 1.2: A 776 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 779 GLN : amide:sc= -0.0278 K(o=0.11,f=-2.8!) USER MOD Single : A 722 TYR OH : rot 165:sc= 0 USER MOD Single : A 724 ASN : amide:sc= 0 X(o=0,f=0.071) USER MOD Single : A 725 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 726 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.2) 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= -0.109 X(o=-0.11,f=-0.075) USER MOD Single : A 745 LYS NZ :NH3+ -127:sc= -0.909 (180deg=-2.84!) USER MOD Single : A 749 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 750 SER OG : rot 32:sc= 0.16 USER MOD Single : A 754 HIS : no HD1:sc= -2.58 X(o=-2.6,f=-2.1) USER MOD Single : A 757 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.14) USER MOD Single : A 760 TYR OH : rot 180:sc= 0 USER MOD Single : A 761 GLN :FLIP amide:sc= -1.98! C(o=-3!,f=-2!) USER MOD Single : A 763 LYS NZ :NH3+ -148:sc= 2.33 (180deg=1.16) USER MOD Single : A 773 CYS SG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 782 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 796 ASN : amide:sc=-0.00814 X(o=-0.0081,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.011 14.838 7.008 1.00 2.22 N ATOM 148 CA ILE A 716 0.873 13.670 7.140 1.00 53.43 C ATOM 149 C ILE A 716 0.734 12.998 8.504 1.00 75.42 C ATOM 150 O ILE A 716 0.932 11.785 8.627 1.00 14.43 O ATOM 151 CB ILE A 716 2.342 14.072 6.892 1.00 3.45 C ATOM 152 CG1 ILE A 716 2.483 14.689 5.497 1.00 41.43 C ATOM 153 CG2 ILE A 716 3.276 12.884 7.045 1.00 73.13 C ATOM 154 CD1 ILE A 716 2.002 13.787 4.375 1.00 34.00 C ATOM 0 HA ILE A 716 0.558 12.944 6.390 1.00 53.43 H new ATOM 0 HB ILE A 716 2.625 14.811 7.642 1.00 3.45 H new ATOM 0 HG12 ILE A 716 1.922 15.623 5.465 1.00 41.43 H new ATOM 0 HG13 ILE A 716 3.530 14.940 5.325 1.00 41.43 H new ATOM 0 HG21 ILE A 716 4.303 13.202 6.864 1.00 73.13 H new ATOM 0 HG22 ILE A 716 3.193 12.484 8.056 1.00 73.13 H new ATOM 0 HG23 ILE A 716 3.003 12.112 6.326 1.00 73.13 H new ATOM 0 HD11 ILE A 716 2.134 14.294 3.419 1.00 34.00 H new ATOM 0 HD12 ILE A 716 2.579 12.862 4.379 1.00 34.00 H new ATOM 0 HD13 ILE A 716 0.947 13.556 4.521 1.00 34.00 H new ATOM 166 N GLY A 717 0.370 13.774 9.518 1.00 73.34 N ATOM 167 CA GLY A 717 0.175 13.225 10.847 1.00 2.51 C ATOM 168 C GLY A 717 -0.840 12.097 10.856 1.00 74.33 C ATOM 169 O GLY A 717 -0.733 11.155 11.645 1.00 44.15 O ATOM 0 H GLY A 717 0.206 14.778 9.443 1.00 73.34 H new ATOM 0 HA2 GLY A 717 1.127 12.858 11.230 1.00 2.51 H new ATOM 0 HA3 GLY A 717 -0.156 14.016 11.520 1.00 2.51 H new ATOM 173 N GLU A 718 -1.814 12.182 9.959 1.00 40.25 N ATOM 174 CA GLU A 718 -2.834 11.155 9.840 1.00 70.24 C ATOM 175 C GLU A 718 -2.246 9.894 9.225 1.00 41.40 C ATOM 176 O GLU A 718 -2.531 8.789 9.675 1.00 72.14 O ATOM 177 CB GLU A 718 -4.001 11.654 8.989 1.00 31.13 C ATOM 178 CG GLU A 718 -4.641 12.924 9.522 1.00 0.04 C ATOM 179 CD GLU A 718 -5.200 12.758 10.918 1.00 41.03 C ATOM 180 OE1 GLU A 718 -6.369 12.341 11.048 1.00 25.33 O ATOM 181 OE2 GLU A 718 -4.481 13.057 11.894 1.00 74.43 O ATOM 0 H GLU A 718 -1.917 12.956 9.302 1.00 40.25 H new ATOM 0 HA GLU A 718 -3.203 10.922 10.839 1.00 70.24 H new ATOM 0 HB2 GLU A 718 -3.649 11.833 7.973 1.00 31.13 H new ATOM 0 HB3 GLU A 718 -4.758 10.872 8.931 1.00 31.13 H new ATOM 0 HG2 GLU A 718 -3.901 13.725 9.525 1.00 0.04 H new ATOM 0 HG3 GLU A 718 -5.442 13.232 8.849 1.00 0.04 H new ATOM 188 N LEU A 719 -1.407 10.066 8.209 1.00 23.33 N ATOM 189 CA LEU A 719 -0.791 8.932 7.524 1.00 63.43 C ATOM 190 C LEU A 719 0.096 8.142 8.479 1.00 52.22 C ATOM 191 O LEU A 719 0.157 6.915 8.411 1.00 40.05 O ATOM 192 CB LEU A 719 0.017 9.394 6.301 1.00 52.34 C ATOM 193 CG LEU A 719 -0.806 9.897 5.102 1.00 13.04 C ATOM 194 CD1 LEU A 719 -1.958 8.952 4.803 1.00 34.24 C ATOM 195 CD2 LEU A 719 -1.325 11.305 5.336 1.00 60.01 C ATOM 0 H LEU A 719 -1.137 10.978 7.841 1.00 23.33 H new ATOM 0 HA LEU A 719 -1.592 8.280 7.174 1.00 63.43 H new ATOM 0 HB2 LEU A 719 0.690 10.192 6.615 1.00 52.34 H new ATOM 0 HB3 LEU A 719 0.640 8.564 5.967 1.00 52.34 H new ATOM 0 HG LEU A 719 -0.143 9.922 4.237 1.00 13.04 H new ATOM 0 HD11 LEU A 719 -2.526 9.328 3.952 1.00 34.24 H new ATOM 0 HD12 LEU A 719 -1.565 7.962 4.569 1.00 34.24 H new ATOM 0 HD13 LEU A 719 -2.610 8.887 5.674 1.00 34.24 H new ATOM 0 HD21 LEU A 719 -1.902 11.629 4.470 1.00 60.01 H new ATOM 0 HD22 LEU A 719 -1.962 11.316 6.221 1.00 60.01 H new ATOM 0 HD23 LEU A 719 -0.484 11.982 5.486 1.00 60.01 H new ATOM 207 N VAL A 720 0.764 8.847 9.383 1.00 33.04 N ATOM 208 CA VAL A 720 1.569 8.198 10.411 1.00 4.23 C ATOM 209 C VAL A 720 0.665 7.423 11.370 1.00 74.13 C ATOM 210 O VAL A 720 0.988 6.311 11.791 1.00 64.31 O ATOM 211 CB VAL A 720 2.409 9.219 11.207 1.00 23.25 C ATOM 212 CG1 VAL A 720 3.293 8.514 12.226 1.00 72.51 C ATOM 213 CG2 VAL A 720 3.250 10.076 10.272 1.00 51.12 C ATOM 0 H VAL A 720 0.765 9.866 9.426 1.00 33.04 H new ATOM 0 HA VAL A 720 2.253 7.513 9.911 1.00 4.23 H new ATOM 0 HB VAL A 720 1.722 9.874 11.744 1.00 23.25 H new ATOM 0 HG11 VAL A 720 3.876 9.253 12.775 1.00 72.51 H new ATOM 0 HG12 VAL A 720 2.670 7.953 12.922 1.00 72.51 H new ATOM 0 HG13 VAL A 720 3.967 7.830 11.711 1.00 72.51 H new ATOM 0 HG21 VAL A 720 3.833 10.788 10.857 1.00 51.12 H new ATOM 0 HG22 VAL A 720 3.924 9.438 9.701 1.00 51.12 H new ATOM 0 HG23 VAL A 720 2.596 10.617 9.588 1.00 51.12 H new ATOM 223 N ARG A 721 -0.487 8.010 11.684 1.00 2.31 N ATOM 224 CA ARG A 721 -1.471 7.366 12.546 1.00 14.21 C ATOM 225 C ARG A 721 -1.933 6.046 11.925 1.00 54.44 C ATOM 226 O ARG A 721 -2.185 5.064 12.627 1.00 64.40 O ATOM 227 CB ARG A 721 -2.663 8.312 12.791 1.00 22.34 C ATOM 228 CG ARG A 721 -4.005 7.768 12.319 1.00 62.40 C ATOM 229 CD ARG A 721 -5.137 8.757 12.544 1.00 31.45 C ATOM 230 NE ARG A 721 -6.439 8.152 12.260 1.00 24.45 N ATOM 231 CZ ARG A 721 -7.581 8.827 12.158 1.00 12.04 C ATOM 232 NH1 ARG A 721 -7.591 10.149 12.245 1.00 4.53 N ATOM 233 NH2 ARG A 721 -8.715 8.172 11.952 1.00 52.45 N ATOM 0 H ARG A 721 -0.762 8.935 11.352 1.00 2.31 H new ATOM 0 HA ARG A 721 -1.011 7.144 13.509 1.00 14.21 H new ATOM 0 HB2 ARG A 721 -2.727 8.528 13.858 1.00 22.34 H new ATOM 0 HB3 ARG A 721 -2.470 9.258 12.286 1.00 22.34 H new ATOM 0 HG2 ARG A 721 -3.943 7.524 11.258 1.00 62.40 H new ATOM 0 HG3 ARG A 721 -4.225 6.840 12.847 1.00 62.40 H new ATOM 0 HD2 ARG A 721 -5.115 9.109 13.575 1.00 31.45 H new ATOM 0 HD3 ARG A 721 -4.992 9.629 11.906 1.00 31.45 H new ATOM 0 HE ARG A 721 -6.473 7.141 12.131 1.00 24.45 H new ATOM 0 HH11 ARG A 721 -6.719 10.657 12.391 1.00 4.53 H new ATOM 0 HH12 ARG A 721 -8.471 10.659 12.166 1.00 4.53 H new ATOM 0 HH21 ARG A 721 -8.709 7.155 11.872 1.00 52.45 H new ATOM 0 HH22 ARG A 721 -9.593 8.685 11.873 1.00 52.45 H new ATOM 247 N TYR A 722 -2.018 6.023 10.598 1.00 72.24 N ATOM 248 CA TYR A 722 -2.436 4.828 9.879 1.00 22.24 C ATOM 249 C TYR A 722 -1.336 3.778 9.861 1.00 51.24 C ATOM 250 O TYR A 722 -1.621 2.586 9.820 1.00 23.40 O ATOM 251 CB TYR A 722 -2.860 5.170 8.453 1.00 43.32 C ATOM 252 CG TYR A 722 -4.179 5.905 8.376 1.00 74.15 C ATOM 253 CD1 TYR A 722 -5.369 5.266 8.697 1.00 1.44 C ATOM 254 CD2 TYR A 722 -4.236 7.229 7.970 1.00 71.05 C ATOM 255 CE1 TYR A 722 -6.577 5.928 8.618 1.00 42.12 C ATOM 256 CE2 TYR A 722 -5.440 7.901 7.890 1.00 34.21 C ATOM 257 CZ TYR A 722 -6.609 7.246 8.214 1.00 3.42 C ATOM 258 OH TYR A 722 -7.812 7.910 8.131 1.00 24.05 O ATOM 0 H TYR A 722 -1.802 6.821 10.000 1.00 72.24 H new ATOM 0 HA TYR A 722 -3.294 4.413 10.408 1.00 22.24 H new ATOM 0 HB2 TYR A 722 -2.085 5.780 7.989 1.00 43.32 H new ATOM 0 HB3 TYR A 722 -2.931 4.250 7.873 1.00 43.32 H new ATOM 0 HD1 TYR A 722 -5.349 4.234 9.014 1.00 1.44 H new ATOM 0 HD2 TYR A 722 -3.323 7.744 7.712 1.00 71.05 H new ATOM 0 HE1 TYR A 722 -7.494 5.416 8.872 1.00 42.12 H new ATOM 0 HE2 TYR A 722 -5.466 8.934 7.575 1.00 34.21 H new ATOM 0 HH TYR A 722 -7.650 8.874 8.067 1.00 24.05 H new ATOM 268 N LEU A 723 -0.083 4.216 9.910 1.00 15.24 N ATOM 269 CA LEU A 723 1.044 3.287 9.955 1.00 0.33 C ATOM 270 C LEU A 723 0.946 2.380 11.173 1.00 4.34 C ATOM 271 O LEU A 723 1.245 1.185 11.098 1.00 75.41 O ATOM 272 CB LEU A 723 2.374 4.042 9.984 1.00 51.44 C ATOM 273 CG LEU A 723 2.789 4.684 8.664 1.00 24.00 C ATOM 274 CD1 LEU A 723 4.111 5.419 8.826 1.00 1.33 C ATOM 275 CD2 LEU A 723 2.896 3.630 7.574 1.00 30.21 C ATOM 0 H LEU A 723 0.179 5.202 9.920 1.00 15.24 H new ATOM 0 HA LEU A 723 1.005 2.677 9.053 1.00 0.33 H new ATOM 0 HB2 LEU A 723 2.314 4.821 10.745 1.00 51.44 H new ATOM 0 HB3 LEU A 723 3.158 3.352 10.295 1.00 51.44 H new ATOM 0 HG LEU A 723 2.026 5.406 8.373 1.00 24.00 H new ATOM 0 HD11 LEU A 723 4.394 5.872 7.876 1.00 1.33 H new ATOM 0 HD12 LEU A 723 4.004 6.197 9.582 1.00 1.33 H new ATOM 0 HD13 LEU A 723 4.883 4.715 9.137 1.00 1.33 H new ATOM 0 HD21 LEU A 723 3.193 4.103 6.638 1.00 30.21 H new ATOM 0 HD22 LEU A 723 3.642 2.888 7.858 1.00 30.21 H new ATOM 0 HD23 LEU A 723 1.930 3.142 7.443 1.00 30.21 H new ATOM 287 N ASN A 724 0.523 2.950 12.292 1.00 43.41 N ATOM 288 CA ASN A 724 0.380 2.185 13.527 1.00 72.22 C ATOM 289 C ASN A 724 -0.988 1.511 13.608 1.00 72.40 C ATOM 290 O ASN A 724 -1.183 0.581 14.387 1.00 63.43 O ATOM 291 CB ASN A 724 0.579 3.089 14.747 1.00 13.22 C ATOM 292 CG ASN A 724 1.955 3.724 14.788 1.00 61.14 C ATOM 293 OD1 ASN A 724 2.166 4.806 14.242 1.00 53.04 O ATOM 294 ND2 ASN A 724 2.902 3.066 15.437 1.00 60.40 N ATOM 0 H ASN A 724 0.273 3.936 12.373 1.00 43.41 H new ATOM 0 HA ASN A 724 1.148 1.411 13.523 1.00 72.22 H new ATOM 0 HB2 ASN A 724 -0.178 3.873 14.740 1.00 13.22 H new ATOM 0 HB3 ASN A 724 0.426 2.506 15.655 1.00 13.22 H new ATOM 0 HD21 ASN A 724 3.843 3.454 15.496 1.00 60.40 H new ATOM 0 HD22 ASN A 724 2.691 2.171 15.878 1.00 60.40 H new ATOM 301 N THR A 725 -1.932 1.973 12.799 1.00 60.23 N ATOM 302 CA THR A 725 -3.290 1.450 12.851 1.00 21.42 C ATOM 303 C THR A 725 -3.606 0.589 11.622 1.00 24.34 C ATOM 304 O THR A 725 -3.479 -0.636 11.664 1.00 4.04 O ATOM 305 CB THR A 725 -4.323 2.591 12.973 1.00 32.44 C ATOM 306 OG1 THR A 725 -3.929 3.502 14.011 1.00 44.35 O ATOM 307 CG2 THR A 725 -5.708 2.040 13.284 1.00 42.11 C ATOM 0 H THR A 725 -1.784 2.704 12.103 1.00 60.23 H new ATOM 0 HA THR A 725 -3.357 0.821 13.739 1.00 21.42 H new ATOM 0 HB THR A 725 -4.361 3.116 12.019 1.00 32.44 H new ATOM 0 HG1 THR A 725 -3.223 4.093 13.676 1.00 44.35 H new ATOM 0 HG21 THR A 725 -6.417 2.864 13.365 1.00 42.11 H new ATOM 0 HG22 THR A 725 -6.021 1.369 12.484 1.00 42.11 H new ATOM 0 HG23 THR A 725 -5.679 1.492 14.226 1.00 42.11 H new ATOM 315 N ASN A 726 -3.991 1.235 10.527 1.00 44.14 N ATOM 316 CA ASN A 726 -4.373 0.529 9.307 1.00 32.12 C ATOM 317 C ASN A 726 -3.815 1.244 8.084 1.00 51.43 C ATOM 318 O ASN A 726 -4.329 2.286 7.673 1.00 25.24 O ATOM 319 CB ASN A 726 -5.897 0.430 9.199 1.00 41.12 C ATOM 320 CG ASN A 726 -6.358 -0.201 7.897 1.00 70.44 C ATOM 321 OD1 ASN A 726 -5.674 -1.046 7.317 1.00 11.22 O ATOM 322 ND2 ASN A 726 -7.521 0.215 7.421 1.00 32.01 N ATOM 0 H ASN A 726 -4.047 2.251 10.458 1.00 44.14 H new ATOM 0 HA ASN A 726 -3.957 -0.477 9.350 1.00 32.12 H new ATOM 0 HB2 ASN A 726 -6.278 -0.156 10.036 1.00 41.12 H new ATOM 0 HB3 ASN A 726 -6.328 1.427 9.286 1.00 41.12 H new ATOM 0 HD21 ASN A 726 -7.879 -0.166 6.545 1.00 32.01 H new ATOM 0 HD22 ASN A 726 -8.059 0.916 7.930 1.00 32.01 H new ATOM 329 N PRO A 727 -2.747 0.691 7.492 1.00 41.30 N ATOM 330 CA PRO A 727 -2.079 1.296 6.337 1.00 4.13 C ATOM 331 C PRO A 727 -2.991 1.390 5.116 1.00 62.44 C ATOM 332 O PRO A 727 -3.000 2.404 4.416 1.00 22.52 O ATOM 333 CB PRO A 727 -0.908 0.347 6.056 1.00 14.34 C ATOM 334 CG PRO A 727 -1.276 -0.939 6.713 1.00 35.42 C ATOM 335 CD PRO A 727 -2.102 -0.566 7.910 1.00 43.54 C ATOM 0 HA PRO A 727 -1.773 2.322 6.543 1.00 4.13 H new ATOM 0 HB2 PRO A 727 -0.759 0.213 4.985 1.00 14.34 H new ATOM 0 HB3 PRO A 727 0.024 0.742 6.460 1.00 14.34 H new ATOM 0 HG2 PRO A 727 -1.839 -1.578 6.033 1.00 35.42 H new ATOM 0 HG3 PRO A 727 -0.387 -1.495 7.010 1.00 35.42 H new ATOM 0 HD2 PRO A 727 -2.836 -1.336 8.149 1.00 43.54 H new ATOM 0 HD3 PRO A 727 -1.485 -0.427 8.798 1.00 43.54 H new ATOM 343 N VAL A 728 -3.766 0.335 4.877 1.00 51.52 N ATOM 344 CA VAL A 728 -4.629 0.263 3.703 1.00 31.32 C ATOM 345 C VAL A 728 -5.662 1.382 3.726 1.00 4.10 C ATOM 346 O VAL A 728 -5.868 2.073 2.726 1.00 72.15 O ATOM 347 CB VAL A 728 -5.348 -1.101 3.608 1.00 61.32 C ATOM 348 CG1 VAL A 728 -6.190 -1.184 2.343 1.00 4.32 C ATOM 349 CG2 VAL A 728 -4.342 -2.241 3.656 1.00 23.10 C ATOM 0 H VAL A 728 -3.813 -0.484 5.483 1.00 51.52 H new ATOM 0 HA VAL A 728 -3.991 0.377 2.827 1.00 31.32 H new ATOM 0 HB VAL A 728 -6.014 -1.193 4.466 1.00 61.32 H new ATOM 0 HG11 VAL A 728 -6.686 -2.154 2.299 1.00 4.32 H new ATOM 0 HG12 VAL A 728 -6.940 -0.393 2.352 1.00 4.32 H new ATOM 0 HG13 VAL A 728 -5.548 -1.065 1.470 1.00 4.32 H new ATOM 0 HG21 VAL A 728 -4.868 -3.193 3.588 1.00 23.10 H new ATOM 0 HG22 VAL A 728 -3.648 -2.149 2.821 1.00 23.10 H new ATOM 0 HG23 VAL A 728 -3.788 -2.199 4.594 1.00 23.10 H new ATOM 359 N GLY A 729 -6.288 1.574 4.881 1.00 53.44 N ATOM 360 CA GLY A 729 -7.280 2.617 5.023 1.00 74.10 C ATOM 361 C GLY A 729 -6.680 3.995 4.861 1.00 14.40 C ATOM 362 O GLY A 729 -7.332 4.904 4.351 1.00 5.13 O ATOM 0 H GLY A 729 -6.124 1.023 5.723 1.00 53.44 H new ATOM 0 HA2 GLY A 729 -8.065 2.474 4.281 1.00 74.10 H new ATOM 0 HA3 GLY A 729 -7.750 2.539 6.003 1.00 74.10 H new ATOM 366 N GLY A 730 -5.429 4.139 5.281 1.00 1.30 N ATOM 367 CA GLY A 730 -4.748 5.413 5.182 1.00 65.52 C ATOM 368 C GLY A 730 -4.372 5.768 3.762 1.00 15.51 C ATOM 369 O GLY A 730 -4.532 6.911 3.341 1.00 32.34 O ATOM 0 H GLY A 730 -4.872 3.389 5.691 1.00 1.30 H new ATOM 0 HA2 GLY A 730 -5.389 6.195 5.589 1.00 65.52 H new ATOM 0 HA3 GLY A 730 -3.848 5.387 5.796 1.00 65.52 H new ATOM 373 N LEU A 731 -3.872 4.787 3.024 1.00 61.42 N ATOM 374 CA LEU A 731 -3.488 4.998 1.635 1.00 12.40 C ATOM 375 C LEU A 731 -4.722 5.372 0.812 1.00 71.42 C ATOM 376 O LEU A 731 -4.674 6.270 -0.032 1.00 14.33 O ATOM 377 CB LEU A 731 -2.808 3.731 1.090 1.00 64.53 C ATOM 378 CG LEU A 731 -2.002 3.888 -0.208 1.00 70.12 C ATOM 379 CD1 LEU A 731 -2.909 3.881 -1.425 1.00 51.11 C ATOM 380 CD2 LEU A 731 -1.176 5.166 -0.175 1.00 15.31 C ATOM 0 H LEU A 731 -3.723 3.837 3.364 1.00 61.42 H new ATOM 0 HA LEU A 731 -2.775 5.820 1.566 1.00 12.40 H new ATOM 0 HB2 LEU A 731 -2.141 3.344 1.860 1.00 64.53 H new ATOM 0 HB3 LEU A 731 -3.577 2.976 0.925 1.00 64.53 H new ATOM 0 HG LEU A 731 -1.327 3.035 -0.284 1.00 70.12 H new ATOM 0 HD11 LEU A 731 -2.308 3.994 -2.327 1.00 51.11 H new ATOM 0 HD12 LEU A 731 -3.454 2.938 -1.467 1.00 51.11 H new ATOM 0 HD13 LEU A 731 -3.618 4.706 -1.355 1.00 51.11 H new ATOM 0 HD21 LEU A 731 -0.612 5.259 -1.103 1.00 15.31 H new ATOM 0 HD22 LEU A 731 -1.838 6.025 -0.065 1.00 15.31 H new ATOM 0 HD23 LEU A 731 -0.485 5.131 0.667 1.00 15.31 H new ATOM 392 N LEU A 732 -5.833 4.694 1.088 1.00 65.12 N ATOM 393 CA LEU A 732 -7.098 4.999 0.434 1.00 63.42 C ATOM 394 C LEU A 732 -7.577 6.398 0.814 1.00 44.10 C ATOM 395 O LEU A 732 -8.029 7.160 -0.039 1.00 31.23 O ATOM 396 CB LEU A 732 -8.160 3.962 0.813 1.00 14.45 C ATOM 397 CG LEU A 732 -7.885 2.540 0.323 1.00 11.42 C ATOM 398 CD1 LEU A 732 -8.922 1.578 0.876 1.00 23.22 C ATOM 399 CD2 LEU A 732 -7.878 2.490 -1.198 1.00 50.22 C ATOM 0 H LEU A 732 -5.881 3.929 1.761 1.00 65.12 H new ATOM 0 HA LEU A 732 -6.940 4.965 -0.644 1.00 63.42 H new ATOM 0 HB2 LEU A 732 -8.255 3.943 1.899 1.00 14.45 H new ATOM 0 HB3 LEU A 732 -9.121 4.287 0.414 1.00 14.45 H new ATOM 0 HG LEU A 732 -6.902 2.238 0.684 1.00 11.42 H new ATOM 0 HD11 LEU A 732 -8.711 0.570 0.517 1.00 23.22 H new ATOM 0 HD12 LEU A 732 -8.886 1.590 1.965 1.00 23.22 H new ATOM 0 HD13 LEU A 732 -9.914 1.882 0.543 1.00 23.22 H new ATOM 0 HD21 LEU A 732 -7.681 1.470 -1.528 1.00 50.22 H new ATOM 0 HD22 LEU A 732 -8.848 2.813 -1.577 1.00 50.22 H new ATOM 0 HD23 LEU A 732 -7.101 3.152 -1.580 1.00 50.22 H new ATOM 411 N GLU A 733 -7.451 6.734 2.094 1.00 42.22 N ATOM 412 CA GLU A 733 -7.869 8.018 2.608 1.00 24.15 C ATOM 413 C GLU A 733 -7.034 9.143 2.001 1.00 11.12 C ATOM 414 O GLU A 733 -7.571 10.180 1.610 1.00 62.11 O ATOM 415 CB GLU A 733 -7.742 7.969 4.127 1.00 5.14 C ATOM 416 CG GLU A 733 -7.474 9.295 4.789 1.00 3.05 C ATOM 417 CD GLU A 733 -8.706 10.167 4.892 1.00 64.43 C ATOM 418 OE1 GLU A 733 -9.665 9.762 5.581 1.00 51.23 O ATOM 419 OE2 GLU A 733 -8.722 11.262 4.292 1.00 43.23 O ATOM 0 H GLU A 733 -7.053 6.115 2.801 1.00 42.22 H new ATOM 0 HA GLU A 733 -8.904 8.225 2.335 1.00 24.15 H new ATOM 0 HB2 GLU A 733 -8.661 7.554 4.540 1.00 5.14 H new ATOM 0 HB3 GLU A 733 -6.937 7.282 4.387 1.00 5.14 H new ATOM 0 HG2 GLU A 733 -7.075 9.121 5.788 1.00 3.05 H new ATOM 0 HG3 GLU A 733 -6.706 9.826 4.227 1.00 3.05 H new ATOM 426 N TYR A 734 -5.725 8.921 1.904 1.00 52.33 N ATOM 427 CA TYR A 734 -4.828 9.882 1.284 1.00 12.44 C ATOM 428 C TYR A 734 -5.302 10.229 -0.122 1.00 4.21 C ATOM 429 O TYR A 734 -5.479 11.400 -0.457 1.00 24.44 O ATOM 430 CB TYR A 734 -3.401 9.325 1.236 1.00 54.13 C ATOM 431 CG TYR A 734 -2.530 9.985 0.190 1.00 3.34 C ATOM 432 CD1 TYR A 734 -1.933 11.215 0.421 1.00 61.22 C ATOM 433 CD2 TYR A 734 -2.328 9.376 -1.042 1.00 21.13 C ATOM 434 CE1 TYR A 734 -1.152 11.820 -0.547 1.00 4.21 C ATOM 435 CE2 TYR A 734 -1.553 9.975 -2.014 1.00 21.02 C ATOM 436 CZ TYR A 734 -0.967 11.195 -1.762 1.00 31.51 C ATOM 437 OH TYR A 734 -0.200 11.798 -2.731 1.00 74.43 O ATOM 0 H TYR A 734 -5.264 8.079 2.250 1.00 52.33 H new ATOM 0 HA TYR A 734 -4.831 10.791 1.886 1.00 12.44 H new ATOM 0 HB2 TYR A 734 -2.938 9.450 2.215 1.00 54.13 H new ATOM 0 HB3 TYR A 734 -3.444 8.254 1.038 1.00 54.13 H new ATOM 0 HD1 TYR A 734 -2.080 11.708 1.371 1.00 61.22 H new ATOM 0 HD2 TYR A 734 -2.785 8.418 -1.242 1.00 21.13 H new ATOM 0 HE1 TYR A 734 -0.690 12.776 -0.352 1.00 4.21 H new ATOM 0 HE2 TYR A 734 -1.407 9.489 -2.967 1.00 21.02 H new ATOM 0 HH TYR A 734 -0.169 11.226 -3.526 1.00 74.43 H new ATOM 447 N ALA A 735 -5.515 9.204 -0.935 1.00 42.20 N ATOM 448 CA ALA A 735 -5.955 9.405 -2.304 1.00 50.33 C ATOM 449 C ALA A 735 -7.321 10.074 -2.329 1.00 72.33 C ATOM 450 O ALA A 735 -7.521 11.077 -3.010 1.00 32.55 O ATOM 451 CB ALA A 735 -5.989 8.079 -3.046 1.00 21.02 C ATOM 0 H ALA A 735 -5.390 8.227 -0.669 1.00 42.20 H new ATOM 0 HA ALA A 735 -5.245 10.061 -2.808 1.00 50.33 H new ATOM 0 HB1 ALA A 735 -6.321 8.244 -4.071 1.00 21.02 H new ATOM 0 HB2 ALA A 735 -4.991 7.641 -3.054 1.00 21.02 H new ATOM 0 HB3 ALA A 735 -6.680 7.400 -2.546 1.00 21.02 H new ATOM 457 N ARG A 736 -8.235 9.535 -1.538 1.00 75.13 N ATOM 458 CA ARG A 736 -9.594 10.021 -1.450 1.00 44.21 C ATOM 459 C ARG A 736 -9.647 11.510 -1.111 1.00 64.24 C ATOM 460 O ARG A 736 -10.303 12.292 -1.803 1.00 4.21 O ATOM 461 CB ARG A 736 -10.313 9.195 -0.387 1.00 64.45 C ATOM 462 CG ARG A 736 -11.603 9.796 0.096 1.00 62.31 C ATOM 463 CD ARG A 736 -12.190 8.981 1.235 1.00 11.32 C ATOM 464 NE ARG A 736 -13.440 9.549 1.727 1.00 43.33 N ATOM 465 CZ ARG A 736 -14.100 9.089 2.784 1.00 40.43 C ATOM 466 NH1 ARG A 736 -13.629 8.052 3.467 1.00 11.11 N ATOM 467 NH2 ARG A 736 -15.235 9.665 3.156 1.00 72.42 N ATOM 0 H ARG A 736 -8.046 8.736 -0.932 1.00 75.13 H new ATOM 0 HA ARG A 736 -10.084 9.911 -2.418 1.00 44.21 H new ATOM 0 HB2 ARG A 736 -10.517 8.203 -0.791 1.00 64.45 H new ATOM 0 HB3 ARG A 736 -9.646 9.062 0.465 1.00 64.45 H new ATOM 0 HG2 ARG A 736 -11.430 10.820 0.428 1.00 62.31 H new ATOM 0 HG3 ARG A 736 -12.316 9.844 -0.727 1.00 62.31 H new ATOM 0 HD2 ARG A 736 -12.364 7.959 0.897 1.00 11.32 H new ATOM 0 HD3 ARG A 736 -11.470 8.928 2.051 1.00 11.32 H new ATOM 0 HE ARG A 736 -13.831 10.348 1.229 1.00 43.33 H new ATOM 0 HH11 ARG A 736 -12.758 7.606 3.180 1.00 11.11 H new ATOM 0 HH12 ARG A 736 -14.139 7.702 4.278 1.00 11.11 H new ATOM 0 HH21 ARG A 736 -15.600 10.460 2.631 1.00 72.42 H new ATOM 0 HH22 ARG A 736 -15.743 9.313 3.967 1.00 72.42 H new ATOM 481 N SER A 737 -8.935 11.902 -0.066 1.00 74.24 N ATOM 482 CA SER A 737 -8.975 13.273 0.416 1.00 32.41 C ATOM 483 C SER A 737 -8.206 14.214 -0.513 1.00 25.01 C ATOM 484 O SER A 737 -8.483 15.412 -0.563 1.00 74.22 O ATOM 485 CB SER A 737 -8.405 13.345 1.834 1.00 42.13 C ATOM 486 OG SER A 737 -8.619 14.621 2.413 1.00 13.23 O ATOM 0 H SER A 737 -8.320 11.287 0.466 1.00 74.24 H new ATOM 0 HA SER A 737 -10.016 13.597 0.430 1.00 32.41 H new ATOM 0 HB2 SER A 737 -8.871 12.579 2.454 1.00 42.13 H new ATOM 0 HB3 SER A 737 -7.337 13.129 1.810 1.00 42.13 H new ATOM 0 HG SER A 737 -8.246 14.636 3.319 1.00 13.23 H new ATOM 492 N HIS A 738 -7.248 13.674 -1.259 1.00 11.43 N ATOM 493 CA HIS A 738 -6.402 14.508 -2.110 1.00 12.31 C ATOM 494 C HIS A 738 -6.929 14.583 -3.538 1.00 32.45 C ATOM 495 O HIS A 738 -6.586 15.502 -4.281 1.00 2.23 O ATOM 496 CB HIS A 738 -4.954 14.009 -2.095 1.00 3.34 C ATOM 497 CG HIS A 738 -4.244 14.294 -0.803 1.00 3.34 C ATOM 498 ND1 HIS A 738 -2.924 14.687 -0.733 1.00 14.02 N ATOM 499 CD2 HIS A 738 -4.681 14.232 0.476 1.00 40.32 C ATOM 500 CE1 HIS A 738 -2.583 14.853 0.533 1.00 52.31 C ATOM 501 NE2 HIS A 738 -3.631 14.583 1.282 1.00 52.23 N ATOM 0 H HIS A 738 -7.038 12.676 -1.293 1.00 11.43 H new ATOM 0 HA HIS A 738 -6.427 15.517 -1.699 1.00 12.31 H new ATOM 0 HB2 HIS A 738 -4.945 12.934 -2.278 1.00 3.34 H new ATOM 0 HB3 HIS A 738 -4.407 14.476 -2.914 1.00 3.34 H new ATOM 0 HD2 HIS A 738 -5.674 13.957 0.801 1.00 40.32 H new ATOM 0 HE1 HIS A 738 -1.611 15.158 0.892 1.00 52.31 H new ATOM 0 HE2 HIS A 738 -3.657 14.628 2.301 1.00 52.23 H new ATOM 510 N GLY A 739 -7.767 13.630 -3.919 1.00 35.25 N ATOM 511 CA GLY A 739 -8.345 13.657 -5.247 1.00 23.24 C ATOM 512 C GLY A 739 -7.713 12.648 -6.184 1.00 23.02 C ATOM 513 O GLY A 739 -7.892 12.721 -7.400 1.00 23.44 O ATOM 0 H GLY A 739 -8.056 12.844 -3.337 1.00 35.25 H new ATOM 0 HA2 GLY A 739 -9.415 13.460 -5.177 1.00 23.24 H new ATOM 0 HA3 GLY A 739 -8.232 14.656 -5.667 1.00 23.24 H new ATOM 517 N PHE A 740 -6.960 11.713 -5.624 1.00 25.40 N ATOM 518 CA PHE A 740 -6.376 10.634 -6.405 1.00 63.13 C ATOM 519 C PHE A 740 -7.185 9.362 -6.212 1.00 4.00 C ATOM 520 O PHE A 740 -8.016 9.278 -5.308 1.00 64.23 O ATOM 521 CB PHE A 740 -4.929 10.375 -5.981 1.00 64.15 C ATOM 522 CG PHE A 740 -4.008 11.538 -6.196 1.00 40.21 C ATOM 523 CD1 PHE A 740 -3.455 11.775 -7.443 1.00 21.33 C ATOM 524 CD2 PHE A 740 -3.692 12.389 -5.151 1.00 32.21 C ATOM 525 CE1 PHE A 740 -2.602 12.843 -7.644 1.00 22.42 C ATOM 526 CE2 PHE A 740 -2.840 13.457 -5.346 1.00 22.40 C ATOM 527 CZ PHE A 740 -2.293 13.685 -6.595 1.00 42.12 C ATOM 0 H PHE A 740 -6.739 11.680 -4.629 1.00 25.40 H new ATOM 0 HA PHE A 740 -6.389 10.929 -7.454 1.00 63.13 H new ATOM 0 HB2 PHE A 740 -4.914 10.105 -4.925 1.00 64.15 H new ATOM 0 HB3 PHE A 740 -4.548 9.517 -6.535 1.00 64.15 H new ATOM 0 HD1 PHE A 740 -3.693 11.118 -8.267 1.00 21.33 H new ATOM 0 HD2 PHE A 740 -4.116 12.215 -4.173 1.00 32.21 H new ATOM 0 HE1 PHE A 740 -2.177 13.019 -8.621 1.00 22.42 H new ATOM 0 HE2 PHE A 740 -2.601 14.114 -4.523 1.00 22.40 H new ATOM 0 HZ PHE A 740 -1.626 14.520 -6.749 1.00 42.12 H new ATOM 537 N ALA A 741 -6.951 8.381 -7.061 1.00 12.33 N ATOM 538 CA ALA A 741 -7.559 7.075 -6.888 1.00 64.31 C ATOM 539 C ALA A 741 -6.497 6.064 -6.493 1.00 22.12 C ATOM 540 O ALA A 741 -5.471 5.944 -7.162 1.00 4.31 O ATOM 541 CB ALA A 741 -8.268 6.636 -8.159 1.00 41.33 C ATOM 0 H ALA A 741 -6.345 8.462 -7.877 1.00 12.33 H new ATOM 0 HA ALA A 741 -8.303 7.137 -6.094 1.00 64.31 H new ATOM 0 HB1 ALA A 741 -8.716 5.654 -8.005 1.00 41.33 H new ATOM 0 HB2 ALA A 741 -9.048 7.356 -8.408 1.00 41.33 H new ATOM 0 HB3 ALA A 741 -7.549 6.583 -8.977 1.00 41.33 H new ATOM 547 N ALA A 742 -6.732 5.362 -5.396 1.00 72.24 N ATOM 548 CA ALA A 742 -5.796 4.362 -4.916 1.00 40.12 C ATOM 549 C ALA A 742 -6.245 2.972 -5.337 1.00 72.05 C ATOM 550 O ALA A 742 -7.233 2.443 -4.829 1.00 11.14 O ATOM 551 CB ALA A 742 -5.661 4.448 -3.407 1.00 71.11 C ATOM 0 H ALA A 742 -7.567 5.468 -4.820 1.00 72.24 H new ATOM 0 HA ALA A 742 -4.819 4.556 -5.360 1.00 40.12 H new ATOM 0 HB1 ALA A 742 -4.956 3.692 -3.061 1.00 71.11 H new ATOM 0 HB2 ALA A 742 -5.297 5.437 -3.130 1.00 71.11 H new ATOM 0 HB3 ALA A 742 -6.633 4.276 -2.944 1.00 71.11 H new ATOM 557 N GLU A 743 -5.521 2.395 -6.275 1.00 62.34 N ATOM 558 CA GLU A 743 -5.883 1.102 -6.827 1.00 72.15 C ATOM 559 C GLU A 743 -4.856 0.041 -6.476 1.00 63.33 C ATOM 560 O GLU A 743 -3.695 0.123 -6.870 1.00 72.04 O ATOM 561 CB GLU A 743 -6.031 1.205 -8.342 1.00 52.42 C ATOM 562 CG GLU A 743 -7.172 2.106 -8.768 1.00 64.34 C ATOM 563 CD GLU A 743 -7.232 2.297 -10.266 1.00 44.25 C ATOM 564 OE1 GLU A 743 -7.761 1.403 -10.963 1.00 32.43 O ATOM 565 OE2 GLU A 743 -6.748 3.336 -10.760 1.00 22.14 O ATOM 0 H GLU A 743 -4.675 2.802 -6.673 1.00 62.34 H new ATOM 0 HA GLU A 743 -6.836 0.804 -6.389 1.00 72.15 H new ATOM 0 HB2 GLU A 743 -5.101 1.581 -8.767 1.00 52.42 H new ATOM 0 HB3 GLU A 743 -6.190 0.208 -8.754 1.00 52.42 H new ATOM 0 HG2 GLU A 743 -8.114 1.682 -8.421 1.00 64.34 H new ATOM 0 HG3 GLU A 743 -7.063 3.077 -8.285 1.00 64.34 H new ATOM 572 N PHE A 744 -5.293 -0.951 -5.725 1.00 74.21 N ATOM 573 CA PHE A 744 -4.446 -2.080 -5.381 1.00 22.42 C ATOM 574 C PHE A 744 -4.658 -3.195 -6.389 1.00 5.51 C ATOM 575 O PHE A 744 -5.782 -3.662 -6.573 1.00 11.11 O ATOM 576 CB PHE A 744 -4.760 -2.590 -3.972 1.00 61.41 C ATOM 577 CG PHE A 744 -4.408 -1.626 -2.876 1.00 31.12 C ATOM 578 CD1 PHE A 744 -5.317 -0.671 -2.451 1.00 65.22 C ATOM 579 CD2 PHE A 744 -3.168 -1.685 -2.263 1.00 21.42 C ATOM 580 CE1 PHE A 744 -4.994 0.210 -1.438 1.00 30.14 C ATOM 581 CE2 PHE A 744 -2.838 -0.807 -1.250 1.00 15.10 C ATOM 582 CZ PHE A 744 -3.754 0.142 -0.836 1.00 61.44 C ATOM 0 H PHE A 744 -6.236 -0.999 -5.338 1.00 74.21 H new ATOM 0 HA PHE A 744 -3.406 -1.754 -5.403 1.00 22.42 H new ATOM 0 HB2 PHE A 744 -5.823 -2.821 -3.910 1.00 61.41 H new ATOM 0 HB3 PHE A 744 -4.221 -3.523 -3.807 1.00 61.41 H new ATOM 0 HD1 PHE A 744 -6.290 -0.615 -2.917 1.00 65.22 H new ATOM 0 HD2 PHE A 744 -2.450 -2.427 -2.581 1.00 21.42 H new ATOM 0 HE1 PHE A 744 -5.711 0.951 -1.117 1.00 30.14 H new ATOM 0 HE2 PHE A 744 -1.866 -0.861 -0.782 1.00 15.10 H new ATOM 0 HZ PHE A 744 -3.500 0.829 -0.043 1.00 61.44 H new ATOM 592 N LYS A 745 -3.594 -3.607 -7.058 1.00 1.32 N ATOM 593 CA LYS A 745 -3.702 -4.669 -8.044 1.00 62.05 C ATOM 594 C LYS A 745 -2.618 -5.719 -7.859 1.00 53.04 C ATOM 595 O LYS A 745 -1.503 -5.419 -7.424 1.00 41.55 O ATOM 596 CB LYS A 745 -3.647 -4.110 -9.467 1.00 34.52 C ATOM 597 CG LYS A 745 -2.378 -3.347 -9.797 1.00 53.34 C ATOM 598 CD LYS A 745 -2.311 -2.991 -11.278 1.00 64.41 C ATOM 599 CE LYS A 745 -3.492 -2.131 -11.723 1.00 23.23 C ATOM 600 NZ LYS A 745 -4.713 -2.936 -12.023 1.00 21.13 N ATOM 0 H LYS A 745 -2.655 -3.227 -6.938 1.00 1.32 H new ATOM 0 HA LYS A 745 -4.670 -5.146 -7.891 1.00 62.05 H new ATOM 0 HB2 LYS A 745 -3.753 -4.935 -10.172 1.00 34.52 H new ATOM 0 HB3 LYS A 745 -4.502 -3.450 -9.617 1.00 34.52 H new ATOM 0 HG2 LYS A 745 -2.334 -2.436 -9.200 1.00 53.34 H new ATOM 0 HG3 LYS A 745 -1.510 -3.948 -9.526 1.00 53.34 H new ATOM 0 HD2 LYS A 745 -1.381 -2.459 -11.480 1.00 64.41 H new ATOM 0 HD3 LYS A 745 -2.289 -3.907 -11.869 1.00 64.41 H new ATOM 0 HE2 LYS A 745 -3.723 -1.407 -10.942 1.00 23.23 H new ATOM 0 HE3 LYS A 745 -3.209 -1.564 -12.610 1.00 23.23 H new ATOM 0 HZ1 LYS A 745 -5.059 -2.700 -12.975 1.00 21.13 H new ATOM 0 HZ2 LYS A 745 -4.480 -3.949 -11.981 1.00 21.13 H new ATOM 0 HZ3 LYS A 745 -5.451 -2.721 -11.323 1.00 21.13 H new ATOM 614 N LEU A 746 -2.967 -6.951 -8.189 1.00 14.41 N ATOM 615 CA LEU A 746 -2.041 -8.063 -8.120 1.00 51.51 C ATOM 616 C LEU A 746 -1.265 -8.145 -9.431 1.00 34.35 C ATOM 617 O LEU A 746 -1.816 -8.513 -10.470 1.00 13.15 O ATOM 618 CB LEU A 746 -2.818 -9.361 -7.850 1.00 62.25 C ATOM 619 CG LEU A 746 -1.989 -10.579 -7.418 1.00 22.15 C ATOM 620 CD1 LEU A 746 -2.895 -11.618 -6.780 1.00 31.31 C ATOM 621 CD2 LEU A 746 -1.253 -11.192 -8.600 1.00 41.41 C ATOM 0 H LEU A 746 -3.900 -7.206 -8.512 1.00 14.41 H new ATOM 0 HA LEU A 746 -1.332 -7.917 -7.305 1.00 51.51 H new ATOM 0 HB2 LEU A 746 -3.558 -9.160 -7.076 1.00 62.25 H new ATOM 0 HB3 LEU A 746 -3.366 -9.625 -8.754 1.00 62.25 H new ATOM 0 HG LEU A 746 -1.247 -10.245 -6.692 1.00 22.15 H new ATOM 0 HD11 LEU A 746 -2.302 -12.480 -6.475 1.00 31.31 H new ATOM 0 HD12 LEU A 746 -3.384 -11.187 -5.906 1.00 31.31 H new ATOM 0 HD13 LEU A 746 -3.650 -11.933 -7.500 1.00 31.31 H new ATOM 0 HD21 LEU A 746 -0.675 -12.052 -8.262 1.00 41.41 H new ATOM 0 HD22 LEU A 746 -1.975 -11.512 -9.352 1.00 41.41 H new ATOM 0 HD23 LEU A 746 -0.581 -10.451 -9.034 1.00 41.41 H new ATOM 633 N VAL A 747 0.007 -7.784 -9.379 1.00 50.12 N ATOM 634 CA VAL A 747 0.838 -7.754 -10.571 1.00 11.42 C ATOM 635 C VAL A 747 1.376 -9.144 -10.890 1.00 64.31 C ATOM 636 O VAL A 747 1.188 -9.657 -11.994 1.00 43.45 O ATOM 637 CB VAL A 747 2.019 -6.771 -10.410 1.00 14.45 C ATOM 638 CG1 VAL A 747 2.846 -6.701 -11.686 1.00 14.20 C ATOM 639 CG2 VAL A 747 1.514 -5.389 -10.018 1.00 15.02 C ATOM 0 H VAL A 747 0.487 -7.507 -8.523 1.00 50.12 H new ATOM 0 HA VAL A 747 0.210 -7.413 -11.394 1.00 11.42 H new ATOM 0 HB VAL A 747 2.663 -7.141 -9.612 1.00 14.45 H new ATOM 0 HG11 VAL A 747 3.671 -6.002 -11.547 1.00 14.20 H new ATOM 0 HG12 VAL A 747 3.243 -7.690 -11.917 1.00 14.20 H new ATOM 0 HG13 VAL A 747 2.217 -6.361 -12.509 1.00 14.20 H new ATOM 0 HG21 VAL A 747 2.360 -4.710 -9.909 1.00 15.02 H new ATOM 0 HG22 VAL A 747 0.844 -5.013 -10.792 1.00 15.02 H new ATOM 0 HG23 VAL A 747 0.976 -5.453 -9.072 1.00 15.02 H new ATOM 649 N ASP A 748 2.022 -9.761 -9.913 1.00 61.13 N ATOM 650 CA ASP A 748 2.642 -11.063 -10.121 1.00 72.21 C ATOM 651 C ASP A 748 2.234 -12.047 -9.033 1.00 75.42 C ATOM 652 O ASP A 748 1.962 -11.658 -7.896 1.00 22.11 O ATOM 653 CB ASP A 748 4.168 -10.928 -10.163 1.00 72.43 C ATOM 654 CG ASP A 748 4.867 -12.265 -10.304 1.00 72.33 C ATOM 655 OD1 ASP A 748 4.922 -12.790 -11.437 1.00 11.10 O ATOM 656 OD2 ASP A 748 5.363 -12.796 -9.289 1.00 41.34 O ATOM 0 H ASP A 748 2.131 -9.384 -8.971 1.00 61.13 H new ATOM 0 HA ASP A 748 2.293 -11.450 -11.078 1.00 72.21 H new ATOM 0 HB2 ASP A 748 4.449 -10.285 -10.997 1.00 72.43 H new ATOM 0 HB3 ASP A 748 4.511 -10.437 -9.252 1.00 72.43 H new ATOM 661 N GLN A 749 2.188 -13.316 -9.401 1.00 31.34 N ATOM 662 CA GLN A 749 1.860 -14.393 -8.483 1.00 44.40 C ATOM 663 C GLN A 749 2.656 -15.632 -8.869 1.00 34.23 C ATOM 664 O GLN A 749 2.303 -16.336 -9.817 1.00 64.53 O ATOM 665 CB GLN A 749 0.358 -14.691 -8.519 1.00 13.54 C ATOM 666 CG GLN A 749 -0.069 -15.829 -7.603 1.00 62.05 C ATOM 667 CD GLN A 749 -1.551 -16.142 -7.706 1.00 24.05 C ATOM 668 OE1 GLN A 749 -2.355 -15.128 -7.992 1.00 43.01 O flip ATOM 669 NE2 GLN A 749 -1.972 -17.286 -7.525 1.00 43.20 N flip ATOM 0 H GLN A 749 2.379 -13.630 -10.353 1.00 31.34 H new ATOM 0 HA GLN A 749 2.119 -14.095 -7.467 1.00 44.40 H new ATOM 0 HB2 GLN A 749 -0.188 -13.790 -8.240 1.00 13.54 H new ATOM 0 HB3 GLN A 749 0.071 -14.934 -9.542 1.00 13.54 H new ATOM 0 HG2 GLN A 749 0.504 -16.723 -7.850 1.00 62.05 H new ATOM 0 HG3 GLN A 749 0.172 -15.570 -6.572 1.00 62.05 H new ATOM 0 HE21 GLN A 749 -1.321 -18.040 -7.307 1.00 43.20 H new ATOM 0 HE22 GLN A 749 -2.971 -17.478 -7.594 1.00 43.20 H new ATOM 678 N SER A 750 3.740 -15.879 -8.160 1.00 5.42 N ATOM 679 CA SER A 750 4.635 -16.970 -8.505 1.00 64.32 C ATOM 680 C SER A 750 5.221 -17.598 -7.245 1.00 72.12 C ATOM 681 O SER A 750 4.821 -17.258 -6.132 1.00 13.52 O ATOM 682 CB SER A 750 5.750 -16.448 -9.421 1.00 25.14 C ATOM 683 OG SER A 750 6.481 -17.510 -10.008 1.00 53.10 O ATOM 0 H SER A 750 4.024 -15.340 -7.342 1.00 5.42 H new ATOM 0 HA SER A 750 4.074 -17.740 -9.034 1.00 64.32 H new ATOM 0 HB2 SER A 750 5.317 -15.826 -10.205 1.00 25.14 H new ATOM 0 HB3 SER A 750 6.426 -15.813 -8.848 1.00 25.14 H new ATOM 0 HG SER A 750 5.888 -18.278 -10.146 1.00 53.10 H new ATOM 689 N GLY A 751 6.152 -18.520 -7.426 1.00 54.42 N ATOM 690 CA GLY A 751 6.790 -19.163 -6.299 1.00 11.03 C ATOM 691 C GLY A 751 6.224 -20.536 -6.021 1.00 4.22 C ATOM 692 O GLY A 751 5.410 -21.040 -6.795 1.00 0.31 O ATOM 0 H GLY A 751 6.479 -18.836 -8.339 1.00 54.42 H new ATOM 0 HA2 GLY A 751 7.860 -19.246 -6.490 1.00 11.03 H new ATOM 0 HA3 GLY A 751 6.672 -18.538 -5.414 1.00 11.03 H new ATOM 696 N PRO A 752 6.648 -21.173 -4.924 1.00 51.00 N ATOM 697 CA PRO A 752 6.147 -22.491 -4.525 1.00 33.42 C ATOM 698 C PRO A 752 4.692 -22.435 -4.068 1.00 74.24 C ATOM 699 O PRO A 752 4.159 -21.361 -3.792 1.00 3.30 O ATOM 700 CB PRO A 752 7.070 -22.882 -3.369 1.00 1.54 C ATOM 701 CG PRO A 752 7.558 -21.593 -2.814 1.00 1.42 C ATOM 702 CD PRO A 752 7.657 -20.655 -3.980 1.00 53.05 C ATOM 0 HA PRO A 752 6.156 -23.206 -5.348 1.00 33.42 H new ATOM 0 HB2 PRO A 752 6.535 -23.459 -2.615 1.00 1.54 H new ATOM 0 HB3 PRO A 752 7.897 -23.501 -3.716 1.00 1.54 H new ATOM 0 HG2 PRO A 752 6.872 -21.208 -2.060 1.00 1.42 H new ATOM 0 HG3 PRO A 752 8.527 -21.718 -2.330 1.00 1.42 H new ATOM 0 HD2 PRO A 752 7.443 -19.627 -3.688 1.00 53.05 H new ATOM 0 HD3 PRO A 752 8.656 -20.661 -4.417 1.00 53.05 H new ATOM 710 N PRO A 753 4.028 -23.593 -3.987 1.00 72.44 N ATOM 711 CA PRO A 753 2.617 -23.664 -3.611 1.00 24.51 C ATOM 712 C PRO A 753 2.397 -23.315 -2.142 1.00 11.01 C ATOM 713 O PRO A 753 1.387 -22.708 -1.781 1.00 75.00 O ATOM 714 CB PRO A 753 2.230 -25.122 -3.883 1.00 1.23 C ATOM 715 CG PRO A 753 3.379 -25.728 -4.617 1.00 22.50 C ATOM 716 CD PRO A 753 4.588 -24.924 -4.255 1.00 64.10 C ATOM 0 HA PRO A 753 2.014 -22.949 -4.171 1.00 24.51 H new ATOM 0 HB2 PRO A 753 2.039 -25.654 -2.951 1.00 1.23 H new ATOM 0 HB3 PRO A 753 1.317 -25.178 -4.475 1.00 1.23 H new ATOM 0 HG2 PRO A 753 3.510 -26.773 -4.337 1.00 22.50 H new ATOM 0 HG3 PRO A 753 3.207 -25.706 -5.693 1.00 22.50 H new ATOM 0 HD2 PRO A 753 5.098 -25.331 -3.382 1.00 64.10 H new ATOM 0 HD3 PRO A 753 5.315 -24.900 -5.066 1.00 64.10 H new ATOM 724 N HIS A 754 3.352 -23.691 -1.302 1.00 73.34 N ATOM 725 CA HIS A 754 3.275 -23.407 0.125 1.00 51.13 C ATOM 726 C HIS A 754 3.598 -21.941 0.408 1.00 50.02 C ATOM 727 O HIS A 754 3.120 -21.374 1.390 1.00 12.22 O ATOM 728 CB HIS A 754 4.213 -24.331 0.912 1.00 43.43 C ATOM 729 CG HIS A 754 5.637 -24.321 0.442 1.00 70.42 C ATOM 730 ND1 HIS A 754 6.057 -25.127 -0.587 1.00 73.43 N ATOM 731 CD2 HIS A 754 6.690 -23.600 0.895 1.00 60.13 C ATOM 732 CE1 HIS A 754 7.348 -24.883 -0.735 1.00 21.13 C ATOM 733 NE2 HIS A 754 7.774 -23.964 0.139 1.00 42.52 N ATOM 0 H HIS A 754 4.192 -24.195 -1.585 1.00 73.34 H new ATOM 0 HA HIS A 754 2.253 -23.597 0.453 1.00 51.13 H new ATOM 0 HB2 HIS A 754 4.189 -24.042 1.963 1.00 43.43 H new ATOM 0 HB3 HIS A 754 3.832 -25.350 0.853 1.00 43.43 H new ATOM 0 HD2 HIS A 754 6.678 -22.877 1.697 1.00 60.13 H new ATOM 0 HE1 HIS A 754 7.978 -25.364 -1.468 1.00 21.13 H new ATOM 0 HE2 HIS A 754 8.724 -23.603 0.226 1.00 42.52 H new ATOM 741 N GLU A 755 4.387 -21.328 -0.465 1.00 4.21 N ATOM 742 CA GLU A 755 4.752 -19.922 -0.320 1.00 13.13 C ATOM 743 C GLU A 755 4.433 -19.142 -1.595 1.00 34.22 C ATOM 744 O GLU A 755 5.338 -18.790 -2.354 1.00 4.10 O ATOM 745 CB GLU A 755 6.243 -19.775 0.010 1.00 35.01 C ATOM 746 CG GLU A 755 6.613 -20.170 1.429 1.00 4.00 C ATOM 747 CD GLU A 755 6.073 -19.208 2.467 1.00 15.05 C ATOM 748 OE1 GLU A 755 6.660 -18.119 2.640 1.00 12.30 O ATOM 749 OE2 GLU A 755 5.069 -19.541 3.128 1.00 61.41 O ATOM 0 H GLU A 755 4.789 -21.783 -1.285 1.00 4.21 H new ATOM 0 HA GLU A 755 4.165 -19.513 0.502 1.00 13.13 H new ATOM 0 HB2 GLU A 755 6.819 -20.385 -0.686 1.00 35.01 H new ATOM 0 HB3 GLU A 755 6.539 -18.739 -0.155 1.00 35.01 H new ATOM 0 HG2 GLU A 755 6.231 -21.170 1.634 1.00 4.00 H new ATOM 0 HG3 GLU A 755 7.698 -20.219 1.516 1.00 4.00 H new ATOM 756 N PRO A 756 3.142 -18.891 -1.864 1.00 21.12 N ATOM 757 CA PRO A 756 2.725 -18.116 -3.033 1.00 72.13 C ATOM 758 C PRO A 756 3.124 -16.652 -2.902 1.00 11.23 C ATOM 759 O PRO A 756 2.632 -15.938 -2.032 1.00 65.44 O ATOM 760 CB PRO A 756 1.203 -18.266 -3.044 1.00 10.45 C ATOM 761 CG PRO A 756 0.833 -18.580 -1.636 1.00 44.01 C ATOM 762 CD PRO A 756 1.993 -19.342 -1.059 1.00 73.52 C ATOM 0 HA PRO A 756 3.195 -18.465 -3.953 1.00 72.13 H new ATOM 0 HB2 PRO A 756 0.719 -17.350 -3.384 1.00 10.45 H new ATOM 0 HB3 PRO A 756 0.890 -19.061 -3.720 1.00 10.45 H new ATOM 0 HG2 PRO A 756 0.646 -17.668 -1.070 1.00 44.01 H new ATOM 0 HG3 PRO A 756 -0.081 -19.173 -1.596 1.00 44.01 H new ATOM 0 HD2 PRO A 756 2.133 -19.118 -0.001 1.00 73.52 H new ATOM 0 HD3 PRO A 756 1.845 -20.419 -1.140 1.00 73.52 H new ATOM 770 N LYS A 757 4.031 -16.217 -3.758 1.00 72.25 N ATOM 771 CA LYS A 757 4.542 -14.863 -3.694 1.00 15.25 C ATOM 772 C LYS A 757 3.687 -13.929 -4.539 1.00 24.42 C ATOM 773 O LYS A 757 3.647 -14.032 -5.768 1.00 2.24 O ATOM 774 CB LYS A 757 6.009 -14.838 -4.142 1.00 31.40 C ATOM 775 CG LYS A 757 6.650 -13.456 -4.149 1.00 21.15 C ATOM 776 CD LYS A 757 6.667 -12.843 -5.542 1.00 54.14 C ATOM 777 CE LYS A 757 7.469 -13.693 -6.517 1.00 23.34 C ATOM 778 NZ LYS A 757 7.541 -13.080 -7.870 1.00 1.55 N ATOM 0 H LYS A 757 4.429 -16.784 -4.507 1.00 72.25 H new ATOM 0 HA LYS A 757 4.494 -14.511 -2.664 1.00 15.25 H new ATOM 0 HB2 LYS A 757 6.586 -15.488 -3.484 1.00 31.40 H new ATOM 0 HB3 LYS A 757 6.075 -15.259 -5.145 1.00 31.40 H new ATOM 0 HG2 LYS A 757 6.105 -12.800 -3.471 1.00 21.15 H new ATOM 0 HG3 LYS A 757 7.670 -13.527 -3.772 1.00 21.15 H new ATOM 0 HD2 LYS A 757 5.645 -12.737 -5.906 1.00 54.14 H new ATOM 0 HD3 LYS A 757 7.094 -11.841 -5.494 1.00 54.14 H new ATOM 0 HE2 LYS A 757 8.478 -13.833 -6.129 1.00 23.34 H new ATOM 0 HE3 LYS A 757 7.016 -14.682 -6.592 1.00 23.34 H new ATOM 0 HZ1 LYS A 757 7.993 -13.746 -8.529 1.00 1.55 H new ATOM 0 HZ2 LYS A 757 6.581 -12.861 -8.203 1.00 1.55 H new ATOM 0 HZ3 LYS A 757 8.100 -12.204 -7.825 1.00 1.55 H new ATOM 792 N PHE A 758 2.994 -13.032 -3.860 1.00 30.23 N ATOM 793 CA PHE A 758 2.138 -12.057 -4.510 1.00 64.33 C ATOM 794 C PHE A 758 2.852 -10.721 -4.612 1.00 14.30 C ATOM 795 O PHE A 758 3.295 -10.167 -3.605 1.00 23.42 O ATOM 796 CB PHE A 758 0.837 -11.871 -3.725 1.00 71.24 C ATOM 797 CG PHE A 758 0.058 -13.136 -3.519 1.00 44.12 C ATOM 798 CD1 PHE A 758 -0.862 -13.561 -4.460 1.00 23.15 C ATOM 799 CD2 PHE A 758 0.242 -13.895 -2.377 1.00 0.23 C ATOM 800 CE1 PHE A 758 -1.586 -14.722 -4.267 1.00 24.24 C ATOM 801 CE2 PHE A 758 -0.475 -15.056 -2.178 1.00 3.32 C ATOM 802 CZ PHE A 758 -1.390 -15.471 -3.124 1.00 72.14 C ATOM 0 H PHE A 758 3.009 -12.959 -2.843 1.00 30.23 H new ATOM 0 HA PHE A 758 1.903 -12.425 -5.509 1.00 64.33 H new ATOM 0 HB2 PHE A 758 1.071 -11.439 -2.752 1.00 71.24 H new ATOM 0 HB3 PHE A 758 0.208 -11.152 -4.250 1.00 71.24 H new ATOM 0 HD1 PHE A 758 -1.016 -12.979 -5.356 1.00 23.15 H new ATOM 0 HD2 PHE A 758 0.956 -13.574 -1.633 1.00 0.23 H new ATOM 0 HE1 PHE A 758 -2.303 -15.043 -5.008 1.00 24.24 H new ATOM 0 HE2 PHE A 758 -0.321 -15.640 -1.283 1.00 3.32 H new ATOM 0 HZ PHE A 758 -1.952 -16.380 -2.970 1.00 72.14 H new ATOM 812 N VAL A 759 2.974 -10.214 -5.825 1.00 31.20 N ATOM 813 CA VAL A 759 3.548 -8.899 -6.042 1.00 71.44 C ATOM 814 C VAL A 759 2.434 -7.879 -6.211 1.00 22.24 C ATOM 815 O VAL A 759 1.749 -7.855 -7.235 1.00 5.51 O ATOM 816 CB VAL A 759 4.468 -8.865 -7.280 1.00 44.41 C ATOM 817 CG1 VAL A 759 5.107 -7.494 -7.446 1.00 13.33 C ATOM 818 CG2 VAL A 759 5.535 -9.943 -7.179 1.00 41.11 C ATOM 0 H VAL A 759 2.683 -10.694 -6.676 1.00 31.20 H new ATOM 0 HA VAL A 759 4.155 -8.656 -5.170 1.00 71.44 H new ATOM 0 HB VAL A 759 3.858 -9.062 -8.162 1.00 44.41 H new ATOM 0 HG11 VAL A 759 5.751 -7.497 -8.326 1.00 13.33 H new ATOM 0 HG12 VAL A 759 4.328 -6.742 -7.569 1.00 13.33 H new ATOM 0 HG13 VAL A 759 5.701 -7.260 -6.563 1.00 13.33 H new ATOM 0 HG21 VAL A 759 6.175 -9.905 -8.060 1.00 41.11 H new ATOM 0 HG22 VAL A 759 6.137 -9.777 -6.286 1.00 41.11 H new ATOM 0 HG23 VAL A 759 5.059 -10.922 -7.118 1.00 41.11 H new ATOM 828 N TYR A 760 2.240 -7.061 -5.195 1.00 73.42 N ATOM 829 CA TYR A 760 1.205 -6.045 -5.220 1.00 21.22 C ATOM 830 C TYR A 760 1.810 -4.668 -5.425 1.00 74.32 C ATOM 831 O TYR A 760 2.875 -4.357 -4.889 1.00 34.45 O ATOM 832 CB TYR A 760 0.389 -6.070 -3.926 1.00 12.30 C ATOM 833 CG TYR A 760 -0.941 -6.772 -4.068 1.00 30.22 C ATOM 834 CD1 TYR A 760 -1.043 -8.151 -3.946 1.00 62.15 C ATOM 835 CD2 TYR A 760 -2.098 -6.050 -4.332 1.00 4.14 C ATOM 836 CE1 TYR A 760 -2.261 -8.790 -4.084 1.00 55.23 C ATOM 837 CE2 TYR A 760 -3.318 -6.678 -4.469 1.00 62.32 C ATOM 838 CZ TYR A 760 -3.396 -8.048 -4.347 1.00 50.33 C ATOM 839 OH TYR A 760 -4.610 -8.678 -4.485 1.00 51.40 O ATOM 0 H TYR A 760 2.790 -7.081 -4.336 1.00 73.42 H new ATOM 0 HA TYR A 760 0.540 -6.264 -6.056 1.00 21.22 H new ATOM 0 HB2 TYR A 760 0.971 -6.564 -3.148 1.00 12.30 H new ATOM 0 HB3 TYR A 760 0.217 -5.046 -3.594 1.00 12.30 H new ATOM 0 HD1 TYR A 760 -0.157 -8.734 -3.740 1.00 62.15 H new ATOM 0 HD2 TYR A 760 -2.041 -4.976 -4.432 1.00 4.14 H new ATOM 0 HE1 TYR A 760 -2.325 -9.864 -3.987 1.00 55.23 H new ATOM 0 HE2 TYR A 760 -4.207 -6.099 -4.671 1.00 62.32 H new ATOM 0 HH TYR A 760 -5.306 -8.012 -4.666 1.00 51.40 H new ATOM 849 N GLN A 761 1.133 -3.853 -6.212 1.00 63.42 N ATOM 850 CA GLN A 761 1.570 -2.494 -6.455 1.00 34.35 C ATOM 851 C GLN A 761 0.390 -1.549 -6.313 1.00 53.52 C ATOM 852 O GLN A 761 -0.705 -1.829 -6.811 1.00 33.44 O ATOM 853 CB GLN A 761 2.195 -2.382 -7.848 1.00 52.04 C ATOM 854 CG GLN A 761 2.752 -1.005 -8.166 1.00 54.33 C ATOM 855 CD GLN A 761 3.606 -1.009 -9.418 1.00 34.53 C ATOM 856 OE1 GLN A 761 4.900 -1.223 -9.248 1.00 35.44 O flip ATOM 857 NE2 GLN A 761 3.109 -0.814 -10.525 1.00 64.10 N flip ATOM 0 H GLN A 761 0.273 -4.112 -6.696 1.00 63.42 H new ATOM 0 HA GLN A 761 2.328 -2.219 -5.722 1.00 34.35 H new ATOM 0 HB2 GLN A 761 2.996 -3.116 -7.936 1.00 52.04 H new ATOM 0 HB3 GLN A 761 1.443 -2.640 -8.594 1.00 52.04 H new ATOM 0 HG2 GLN A 761 1.929 -0.302 -8.292 1.00 54.33 H new ATOM 0 HG3 GLN A 761 3.347 -0.652 -7.324 1.00 54.33 H new ATOM 0 HE21 GLN A 761 2.106 -0.653 -10.612 1.00 64.10 H new ATOM 0 HE22 GLN A 761 3.700 -0.813 -11.356 1.00 64.10 H new ATOM 866 N ALA A 762 0.604 -0.447 -5.612 1.00 25.14 N ATOM 867 CA ALA A 762 -0.457 0.518 -5.385 1.00 63.44 C ATOM 868 C ALA A 762 -0.436 1.601 -6.452 1.00 60.31 C ATOM 869 O ALA A 762 0.540 2.338 -6.595 1.00 2.12 O ATOM 870 CB ALA A 762 -0.342 1.122 -3.994 1.00 12.25 C ATOM 0 H ALA A 762 1.500 -0.200 -5.192 1.00 25.14 H new ATOM 0 HA ALA A 762 -1.413 -0.001 -5.451 1.00 63.44 H new ATOM 0 HB1 ALA A 762 -1.146 1.843 -3.843 1.00 12.25 H new ATOM 0 HB2 ALA A 762 -0.418 0.332 -3.247 1.00 12.25 H new ATOM 0 HB3 ALA A 762 0.620 1.625 -3.894 1.00 12.25 H new ATOM 876 N LYS A 763 -1.504 1.669 -7.216 1.00 65.10 N ATOM 877 CA LYS A 763 -1.649 2.678 -8.245 1.00 31.13 C ATOM 878 C LYS A 763 -2.404 3.876 -7.692 1.00 53.43 C ATOM 879 O LYS A 763 -3.617 3.819 -7.520 1.00 52.34 O ATOM 880 CB LYS A 763 -2.400 2.100 -9.445 1.00 62.42 C ATOM 881 CG LYS A 763 -2.690 3.115 -10.540 1.00 62.41 C ATOM 882 CD LYS A 763 -3.584 2.521 -11.615 1.00 73.15 C ATOM 883 CE LYS A 763 -3.991 3.558 -12.647 1.00 42.51 C ATOM 884 NZ LYS A 763 -4.828 4.628 -12.049 1.00 4.35 N ATOM 0 H LYS A 763 -2.295 1.029 -7.143 1.00 65.10 H new ATOM 0 HA LYS A 763 -0.658 2.998 -8.568 1.00 31.13 H new ATOM 0 HB2 LYS A 763 -1.816 1.282 -9.867 1.00 62.42 H new ATOM 0 HB3 LYS A 763 -3.342 1.674 -9.100 1.00 62.42 H new ATOM 0 HG2 LYS A 763 -3.170 3.993 -10.108 1.00 62.41 H new ATOM 0 HG3 LYS A 763 -1.754 3.451 -10.986 1.00 62.41 H new ATOM 0 HD2 LYS A 763 -3.062 1.701 -12.109 1.00 73.15 H new ATOM 0 HD3 LYS A 763 -4.476 2.098 -11.153 1.00 73.15 H new ATOM 0 HE2 LYS A 763 -3.099 3.999 -13.091 1.00 42.51 H new ATOM 0 HE3 LYS A 763 -4.542 3.073 -13.453 1.00 42.51 H new ATOM 0 HZ1 LYS A 763 -5.505 4.976 -12.758 1.00 4.35 H new ATOM 0 HZ2 LYS A 763 -5.347 4.247 -11.232 1.00 4.35 H new ATOM 0 HZ3 LYS A 763 -4.219 5.412 -11.737 1.00 4.35 H new ATOM 898 N VAL A 764 -1.691 4.946 -7.394 1.00 50.32 N ATOM 899 CA VAL A 764 -2.323 6.149 -6.885 1.00 11.45 C ATOM 900 C VAL A 764 -2.284 7.237 -7.945 1.00 33.23 C ATOM 901 O VAL A 764 -1.251 7.875 -8.167 1.00 22.44 O ATOM 902 CB VAL A 764 -1.659 6.641 -5.584 1.00 12.11 C ATOM 903 CG1 VAL A 764 -2.363 7.882 -5.055 1.00 53.30 C ATOM 904 CG2 VAL A 764 -1.670 5.537 -4.541 1.00 34.54 C ATOM 0 H VAL A 764 -0.678 5.007 -7.495 1.00 50.32 H new ATOM 0 HA VAL A 764 -3.360 5.909 -6.648 1.00 11.45 H new ATOM 0 HB VAL A 764 -0.624 6.906 -5.803 1.00 12.11 H new ATOM 0 HG11 VAL A 764 -1.878 8.212 -4.136 1.00 53.30 H new ATOM 0 HG12 VAL A 764 -2.309 8.676 -5.799 1.00 53.30 H new ATOM 0 HG13 VAL A 764 -3.408 7.648 -4.850 1.00 53.30 H new ATOM 0 HG21 VAL A 764 -1.198 5.896 -3.626 1.00 34.54 H new ATOM 0 HG22 VAL A 764 -2.699 5.247 -4.329 1.00 34.54 H new ATOM 0 HG23 VAL A 764 -1.120 4.675 -4.918 1.00 34.54 H new ATOM 914 N GLY A 765 -3.413 7.429 -8.608 1.00 71.01 N ATOM 915 CA GLY A 765 -3.466 8.337 -9.732 1.00 55.24 C ATOM 916 C GLY A 765 -2.688 7.789 -10.907 1.00 60.20 C ATOM 917 O GLY A 765 -3.033 6.734 -11.448 1.00 54.54 O ATOM 0 H GLY A 765 -4.297 6.970 -8.386 1.00 71.01 H new ATOM 0 HA2 GLY A 765 -4.504 8.501 -10.023 1.00 55.24 H new ATOM 0 HA3 GLY A 765 -3.059 9.306 -9.441 1.00 55.24 H new ATOM 921 N GLY A 766 -1.627 8.485 -11.282 1.00 4.43 N ATOM 922 CA GLY A 766 -0.762 8.013 -12.345 1.00 14.32 C ATOM 923 C GLY A 766 0.593 7.588 -11.817 1.00 74.22 C ATOM 924 O GLY A 766 1.541 7.411 -12.582 1.00 65.41 O ATOM 0 H GLY A 766 -1.347 9.374 -10.867 1.00 4.43 H new ATOM 0 HA2 GLY A 766 -1.235 7.172 -12.853 1.00 14.32 H new ATOM 0 HA3 GLY A 766 -0.633 8.802 -13.086 1.00 14.32 H new ATOM 928 N ARG A 767 0.684 7.433 -10.504 1.00 42.33 N ATOM 929 CA ARG A 767 1.928 7.033 -9.867 1.00 32.34 C ATOM 930 C ARG A 767 1.789 5.615 -9.324 1.00 54.24 C ATOM 931 O ARG A 767 0.920 5.338 -8.496 1.00 33.53 O ATOM 932 CB ARG A 767 2.276 8.003 -8.730 1.00 31.44 C ATOM 933 CG ARG A 767 3.768 8.292 -8.569 1.00 20.24 C ATOM 934 CD ARG A 767 4.582 7.032 -8.305 1.00 71.54 C ATOM 935 NE ARG A 767 5.915 7.340 -7.787 1.00 50.54 N ATOM 936 CZ ARG A 767 6.930 6.476 -7.762 1.00 4.45 C ATOM 937 NH1 ARG A 767 6.784 5.255 -8.262 1.00 31.24 N ATOM 938 NH2 ARG A 767 8.093 6.836 -7.234 1.00 20.33 N ATOM 0 H ARG A 767 -0.092 7.579 -9.858 1.00 42.33 H new ATOM 0 HA ARG A 767 2.732 7.058 -10.603 1.00 32.34 H new ATOM 0 HB2 ARG A 767 1.754 8.944 -8.902 1.00 31.44 H new ATOM 0 HB3 ARG A 767 1.896 7.594 -7.794 1.00 31.44 H new ATOM 0 HG2 ARG A 767 4.140 8.778 -9.471 1.00 20.24 H new ATOM 0 HG3 ARG A 767 3.912 8.993 -7.747 1.00 20.24 H new ATOM 0 HD2 ARG A 767 4.052 6.401 -7.591 1.00 71.54 H new ATOM 0 HD3 ARG A 767 4.675 6.460 -9.228 1.00 71.54 H new ATOM 0 HE ARG A 767 6.079 8.278 -7.421 1.00 50.54 H new ATOM 0 HH11 ARG A 767 5.892 4.974 -8.668 1.00 31.24 H new ATOM 0 HH12 ARG A 767 7.564 4.598 -8.240 1.00 31.24 H new ATOM 0 HH21 ARG A 767 8.210 7.773 -6.848 1.00 20.33 H new ATOM 0 HH22 ARG A 767 8.870 6.176 -7.214 1.00 20.33 H new ATOM 952 N TRP A 768 2.637 4.723 -9.804 1.00 44.12 N ATOM 953 CA TRP A 768 2.635 3.339 -9.360 1.00 52.22 C ATOM 954 C TRP A 768 3.658 3.157 -8.247 1.00 23.01 C ATOM 955 O TRP A 768 4.862 3.192 -8.503 1.00 22.35 O ATOM 956 CB TRP A 768 2.987 2.405 -10.518 1.00 0.14 C ATOM 957 CG TRP A 768 2.099 2.537 -11.716 1.00 4.45 C ATOM 958 CD1 TRP A 768 2.238 3.420 -12.748 1.00 44.51 C ATOM 959 CD2 TRP A 768 0.946 1.747 -12.014 1.00 51.04 C ATOM 960 NE1 TRP A 768 1.238 3.230 -13.670 1.00 1.55 N ATOM 961 CE2 TRP A 768 0.431 2.207 -13.242 1.00 13.03 C ATOM 962 CE3 TRP A 768 0.299 0.696 -11.363 1.00 65.43 C ATOM 963 CZ2 TRP A 768 -0.701 1.649 -13.828 1.00 11.32 C ATOM 964 CZ3 TRP A 768 -0.823 0.145 -11.947 1.00 21.14 C ATOM 965 CH2 TRP A 768 -1.313 0.620 -13.166 1.00 74.10 C ATOM 0 H TRP A 768 3.343 4.935 -10.509 1.00 44.12 H new ATOM 0 HA TRP A 768 1.638 3.094 -8.994 1.00 52.22 H new ATOM 0 HB2 TRP A 768 4.016 2.596 -10.822 1.00 0.14 H new ATOM 0 HB3 TRP A 768 2.946 1.375 -10.163 1.00 0.14 H new ATOM 0 HD1 TRP A 768 3.020 4.160 -12.828 1.00 44.51 H new ATOM 0 HE1 TRP A 768 1.116 3.762 -14.531 1.00 1.55 H new ATOM 0 HE3 TRP A 768 0.669 0.321 -10.420 1.00 65.43 H new ATOM 0 HZ2 TRP A 768 -1.082 2.015 -14.770 1.00 11.32 H new ATOM 0 HZ3 TRP A 768 -1.332 -0.669 -11.452 1.00 21.14 H new ATOM 0 HH2 TRP A 768 -2.194 0.165 -13.595 1.00 74.10 H new ATOM 976 N PHE A 769 3.196 2.974 -7.018 1.00 31.05 N ATOM 977 CA PHE A 769 4.100 2.827 -5.883 1.00 0.24 C ATOM 978 C PHE A 769 3.346 2.360 -4.644 1.00 74.22 C ATOM 979 O PHE A 769 2.231 2.802 -4.382 1.00 53.05 O ATOM 980 CB PHE A 769 4.822 4.150 -5.579 1.00 43.54 C ATOM 981 CG PHE A 769 3.949 5.201 -4.945 1.00 62.03 C ATOM 982 CD1 PHE A 769 2.937 5.815 -5.665 1.00 61.01 C ATOM 983 CD2 PHE A 769 4.140 5.565 -3.623 1.00 70.43 C ATOM 984 CE1 PHE A 769 2.135 6.774 -5.081 1.00 22.13 C ATOM 985 CE2 PHE A 769 3.341 6.524 -3.032 1.00 71.42 C ATOM 986 CZ PHE A 769 2.337 7.129 -3.763 1.00 2.30 C ATOM 0 H PHE A 769 2.205 2.924 -6.781 1.00 31.05 H new ATOM 0 HA PHE A 769 4.842 2.074 -6.150 1.00 0.24 H new ATOM 0 HB2 PHE A 769 5.665 3.947 -4.918 1.00 43.54 H new ATOM 0 HB3 PHE A 769 5.233 4.547 -6.507 1.00 43.54 H new ATOM 0 HD1 PHE A 769 2.774 5.540 -6.696 1.00 61.01 H new ATOM 0 HD2 PHE A 769 4.923 5.094 -3.047 1.00 70.43 H new ATOM 0 HE1 PHE A 769 1.351 7.246 -5.654 1.00 22.13 H new ATOM 0 HE2 PHE A 769 3.501 6.800 -2.000 1.00 71.42 H new ATOM 0 HZ PHE A 769 1.711 7.879 -3.303 1.00 2.30 H new ATOM 996 N PRO A 770 3.943 1.452 -3.865 1.00 63.14 N ATOM 997 CA PRO A 770 5.219 0.840 -4.176 1.00 23.30 C ATOM 998 C PRO A 770 5.044 -0.536 -4.813 1.00 54.21 C ATOM 999 O PRO A 770 3.929 -0.932 -5.160 1.00 54.14 O ATOM 1000 CB PRO A 770 5.841 0.712 -2.790 1.00 40.03 C ATOM 1001 CG PRO A 770 4.682 0.478 -1.871 1.00 23.13 C ATOM 1002 CD PRO A 770 3.436 0.968 -2.580 1.00 13.22 C ATOM 0 HA PRO A 770 5.813 1.410 -4.891 1.00 23.30 H new ATOM 0 HB2 PRO A 770 6.551 -0.114 -2.750 1.00 40.03 H new ATOM 0 HB3 PRO A 770 6.387 1.615 -2.516 1.00 40.03 H new ATOM 0 HG2 PRO A 770 4.593 -0.581 -1.627 1.00 23.13 H new ATOM 0 HG3 PRO A 770 4.824 1.011 -0.931 1.00 23.13 H new ATOM 0 HD2 PRO A 770 2.708 0.168 -2.711 1.00 13.22 H new ATOM 0 HD3 PRO A 770 2.941 1.761 -2.019 1.00 13.22 H new ATOM 1010 N ALA A 771 6.141 -1.260 -4.961 1.00 34.40 N ATOM 1011 CA ALA A 771 6.097 -2.626 -5.450 1.00 12.10 C ATOM 1012 C ALA A 771 6.559 -3.573 -4.354 1.00 10.14 C ATOM 1013 O ALA A 771 7.750 -3.656 -4.055 1.00 62.44 O ATOM 1014 CB ALA A 771 6.957 -2.779 -6.695 1.00 11.44 C ATOM 0 H ALA A 771 7.079 -0.920 -4.747 1.00 34.40 H new ATOM 0 HA ALA A 771 5.071 -2.874 -5.723 1.00 12.10 H new ATOM 0 HB1 ALA A 771 6.910 -3.810 -7.045 1.00 11.44 H new ATOM 0 HB2 ALA A 771 6.589 -2.114 -7.476 1.00 11.44 H new ATOM 0 HB3 ALA A 771 7.990 -2.523 -6.458 1.00 11.44 H new ATOM 1020 N VAL A 772 5.613 -4.264 -3.739 1.00 14.33 N ATOM 1021 CA VAL A 772 5.922 -5.141 -2.617 1.00 73.24 C ATOM 1022 C VAL A 772 5.550 -6.581 -2.937 1.00 33.32 C ATOM 1023 O VAL A 772 4.773 -6.843 -3.857 1.00 21.42 O ATOM 1024 CB VAL A 772 5.185 -4.702 -1.333 1.00 72.20 C ATOM 1025 CG1 VAL A 772 5.589 -3.291 -0.932 1.00 13.23 C ATOM 1026 CG2 VAL A 772 3.679 -4.795 -1.519 1.00 32.24 C ATOM 0 H VAL A 772 4.626 -4.236 -3.996 1.00 14.33 H new ATOM 0 HA VAL A 772 6.996 -5.071 -2.446 1.00 73.24 H new ATOM 0 HB VAL A 772 5.474 -5.379 -0.529 1.00 72.20 H new ATOM 0 HG11 VAL A 772 5.057 -3.004 -0.025 1.00 13.23 H new ATOM 0 HG12 VAL A 772 6.663 -3.258 -0.748 1.00 13.23 H new ATOM 0 HG13 VAL A 772 5.337 -2.598 -1.735 1.00 13.23 H new ATOM 0 HG21 VAL A 772 3.179 -4.481 -0.603 1.00 32.24 H new ATOM 0 HG22 VAL A 772 3.373 -4.146 -2.340 1.00 32.24 H new ATOM 0 HG23 VAL A 772 3.404 -5.824 -1.748 1.00 32.24 H new ATOM 1036 N CYS A 773 6.104 -7.511 -2.177 1.00 44.41 N ATOM 1037 CA CYS A 773 5.795 -8.919 -2.352 1.00 22.44 C ATOM 1038 C CYS A 773 5.598 -9.593 -0.998 1.00 60.24 C ATOM 1039 O CYS A 773 6.287 -9.271 -0.026 1.00 53.44 O ATOM 1040 CB CYS A 773 6.901 -9.614 -3.153 1.00 11.11 C ATOM 1041 SG CYS A 773 8.573 -9.328 -2.527 1.00 43.22 S ATOM 0 H CYS A 773 6.772 -7.315 -1.431 1.00 44.41 H new ATOM 0 HA CYS A 773 4.864 -9.005 -2.913 1.00 22.44 H new ATOM 0 HB2 CYS A 773 6.708 -10.687 -3.160 1.00 11.11 H new ATOM 0 HB3 CYS A 773 6.851 -9.274 -4.188 1.00 11.11 H new ATOM 0 HG CYS A 773 9.430 -9.960 -3.273 1.00 43.22 H new ATOM 1047 N ALA A 774 4.639 -10.505 -0.936 1.00 71.43 N ATOM 1048 CA ALA A 774 4.339 -11.233 0.290 1.00 64.21 C ATOM 1049 C ALA A 774 3.814 -12.621 -0.049 1.00 51.51 C ATOM 1050 O ALA A 774 3.375 -12.856 -1.173 1.00 34.24 O ATOM 1051 CB ALA A 774 3.323 -10.467 1.125 1.00 34.14 C ATOM 0 H ALA A 774 4.050 -10.761 -1.728 1.00 71.43 H new ATOM 0 HA ALA A 774 5.253 -11.336 0.874 1.00 64.21 H new ATOM 0 HB1 ALA A 774 3.109 -11.023 2.038 1.00 34.14 H new ATOM 0 HB2 ALA A 774 3.728 -9.488 1.383 1.00 34.14 H new ATOM 0 HB3 ALA A 774 2.404 -10.340 0.553 1.00 34.14 H new ATOM 1057 N HIS A 775 3.855 -13.539 0.912 1.00 41.20 N ATOM 1058 CA HIS A 775 3.361 -14.895 0.675 1.00 13.40 C ATOM 1059 C HIS A 775 1.865 -14.985 0.954 1.00 13.11 C ATOM 1060 O HIS A 775 1.252 -16.044 0.816 1.00 52.31 O ATOM 1061 CB HIS A 775 4.136 -15.942 1.497 1.00 15.22 C ATOM 1062 CG HIS A 775 4.032 -15.822 2.995 1.00 71.15 C ATOM 1063 ND1 HIS A 775 4.855 -16.523 3.848 1.00 71.21 N ATOM 1064 CD2 HIS A 775 3.197 -15.109 3.790 1.00 73.12 C ATOM 1065 CE1 HIS A 775 4.531 -16.247 5.098 1.00 61.04 C ATOM 1066 NE2 HIS A 775 3.529 -15.392 5.090 1.00 51.10 N ATOM 0 H HIS A 775 4.219 -13.374 1.850 1.00 41.20 H new ATOM 0 HA HIS A 775 3.529 -15.121 -0.378 1.00 13.40 H new ATOM 0 HB2 HIS A 775 3.785 -16.933 1.208 1.00 15.22 H new ATOM 0 HB3 HIS A 775 5.189 -15.883 1.221 1.00 15.22 H new ATOM 0 HD1 HIS A 775 5.600 -17.157 3.559 1.00 71.21 H new ATOM 0 HD2 HIS A 775 2.415 -14.441 3.460 1.00 73.12 H new ATOM 0 HE1 HIS A 775 5.007 -16.654 5.978 1.00 61.04 H new ATOM 1075 N SER A 776 1.292 -13.868 1.363 1.00 71.01 N ATOM 1076 CA SER A 776 -0.136 -13.774 1.581 1.00 23.40 C ATOM 1077 C SER A 776 -0.659 -12.492 0.945 1.00 12.34 C ATOM 1078 O SER A 776 -0.048 -11.430 1.084 1.00 63.31 O ATOM 1079 CB SER A 776 -0.456 -13.809 3.078 1.00 54.11 C ATOM 1080 OG SER A 776 0.032 -15.003 3.678 1.00 1.32 O ATOM 0 H SER A 776 1.802 -13.005 1.552 1.00 71.01 H new ATOM 0 HA SER A 776 -0.628 -14.628 1.117 1.00 23.40 H new ATOM 0 HB2 SER A 776 -0.011 -12.943 3.569 1.00 54.11 H new ATOM 0 HB3 SER A 776 -1.534 -13.739 3.224 1.00 54.11 H new ATOM 0 HG SER A 776 -0.183 -15.000 4.634 1.00 1.32 H new ATOM 1086 N LYS A 777 -1.777 -12.604 0.241 1.00 71.24 N ATOM 1087 CA LYS A 777 -2.349 -11.487 -0.500 1.00 23.00 C ATOM 1088 C LYS A 777 -2.628 -10.299 0.411 1.00 23.30 C ATOM 1089 O LYS A 777 -2.254 -9.166 0.102 1.00 53.22 O ATOM 1090 CB LYS A 777 -3.655 -11.908 -1.164 1.00 71.20 C ATOM 1091 CG LYS A 777 -4.263 -10.820 -2.029 1.00 54.20 C ATOM 1092 CD LYS A 777 -5.763 -10.983 -2.162 1.00 41.45 C ATOM 1093 CE LYS A 777 -6.137 -12.399 -2.564 1.00 0.11 C ATOM 1094 NZ LYS A 777 -7.581 -12.522 -2.881 1.00 2.13 N ATOM 0 H LYS A 777 -2.312 -13.469 0.167 1.00 71.24 H new ATOM 0 HA LYS A 777 -1.620 -11.192 -1.255 1.00 23.00 H new ATOM 0 HB2 LYS A 777 -3.476 -12.792 -1.776 1.00 71.20 H new ATOM 0 HB3 LYS A 777 -4.371 -12.194 -0.394 1.00 71.20 H new ATOM 0 HG2 LYS A 777 -4.040 -9.844 -1.597 1.00 54.20 H new ATOM 0 HG3 LYS A 777 -3.805 -10.843 -3.018 1.00 54.20 H new ATOM 0 HD2 LYS A 777 -6.242 -10.734 -1.215 1.00 41.45 H new ATOM 0 HD3 LYS A 777 -6.142 -10.281 -2.905 1.00 41.45 H new ATOM 0 HE2 LYS A 777 -5.548 -12.697 -3.432 1.00 0.11 H new ATOM 0 HE3 LYS A 777 -5.883 -13.085 -1.756 1.00 0.11 H new ATOM 0 HZ1 LYS A 777 -7.795 -13.503 -3.151 1.00 2.13 H new ATOM 0 HZ2 LYS A 777 -8.143 -12.262 -2.046 1.00 2.13 H new ATOM 0 HZ3 LYS A 777 -7.819 -11.887 -3.669 1.00 2.13 H new ATOM 1108 N LYS A 778 -3.285 -10.571 1.532 1.00 33.15 N ATOM 1109 CA LYS A 778 -3.665 -9.527 2.471 1.00 51.32 C ATOM 1110 C LYS A 778 -2.437 -8.758 2.954 1.00 4.11 C ATOM 1111 O LYS A 778 -2.476 -7.537 3.090 1.00 42.33 O ATOM 1112 CB LYS A 778 -4.434 -10.128 3.653 1.00 24.05 C ATOM 1113 CG LYS A 778 -3.660 -11.190 4.419 1.00 54.43 C ATOM 1114 CD LYS A 778 -4.464 -11.745 5.581 1.00 20.10 C ATOM 1115 CE LYS A 778 -3.741 -12.905 6.243 1.00 5.12 C ATOM 1116 NZ LYS A 778 -4.470 -13.417 7.433 1.00 64.14 N ATOM 0 H LYS A 778 -3.566 -11.511 1.812 1.00 33.15 H new ATOM 0 HA LYS A 778 -4.320 -8.823 1.958 1.00 51.32 H new ATOM 0 HB2 LYS A 778 -4.708 -9.327 4.340 1.00 24.05 H new ATOM 0 HB3 LYS A 778 -5.363 -10.564 3.285 1.00 24.05 H new ATOM 0 HG2 LYS A 778 -3.390 -12.002 3.743 1.00 54.43 H new ATOM 0 HG3 LYS A 778 -2.729 -10.763 4.792 1.00 54.43 H new ATOM 0 HD2 LYS A 778 -4.641 -10.957 6.313 1.00 20.10 H new ATOM 0 HD3 LYS A 778 -5.440 -12.076 5.226 1.00 20.10 H new ATOM 0 HE2 LYS A 778 -3.616 -13.712 5.521 1.00 5.12 H new ATOM 0 HE3 LYS A 778 -2.742 -12.586 6.541 1.00 5.12 H new ATOM 0 HZ1 LYS A 778 -3.939 -14.207 7.852 1.00 64.14 H new ATOM 0 HZ2 LYS A 778 -4.568 -12.655 8.135 1.00 64.14 H new ATOM 0 HZ3 LYS A 778 -5.414 -13.747 7.147 1.00 64.14 H new ATOM 1130 N GLN A 779 -1.339 -9.476 3.173 1.00 72.32 N ATOM 1131 CA GLN A 779 -0.096 -8.849 3.596 1.00 15.54 C ATOM 1132 C GLN A 779 0.469 -7.996 2.472 1.00 63.11 C ATOM 1133 O GLN A 779 1.003 -6.922 2.716 1.00 23.13 O ATOM 1134 CB GLN A 779 0.936 -9.896 4.022 1.00 31.44 C ATOM 1135 CG GLN A 779 0.490 -10.751 5.194 1.00 70.25 C ATOM 1136 CD GLN A 779 1.607 -11.618 5.737 1.00 35.55 C ATOM 1137 OE1 GLN A 779 1.806 -12.745 5.293 1.00 2.51 O ATOM 1138 NE2 GLN A 779 2.342 -11.096 6.708 1.00 11.24 N ATOM 0 H GLN A 779 -1.287 -10.489 3.064 1.00 72.32 H new ATOM 0 HA GLN A 779 -0.315 -8.216 4.456 1.00 15.54 H new ATOM 0 HB2 GLN A 779 1.154 -10.544 3.173 1.00 31.44 H new ATOM 0 HB3 GLN A 779 1.865 -9.391 4.285 1.00 31.44 H new ATOM 0 HG2 GLN A 779 0.116 -10.106 5.989 1.00 70.25 H new ATOM 0 HG3 GLN A 779 -0.339 -11.386 4.882 1.00 70.25 H new ATOM 0 HE21 GLN A 779 2.143 -10.155 7.049 1.00 11.24 H new ATOM 0 HE22 GLN A 779 3.106 -11.635 7.115 1.00 11.24 H new ATOM 1147 N GLY A 780 0.336 -8.480 1.241 1.00 30.51 N ATOM 1148 CA GLY A 780 0.806 -7.729 0.092 1.00 43.34 C ATOM 1149 C GLY A 780 0.110 -6.390 -0.030 1.00 11.23 C ATOM 1150 O GLY A 780 0.756 -5.360 -0.221 1.00 42.51 O ATOM 0 H GLY A 780 -0.089 -9.380 1.019 1.00 30.51 H new ATOM 0 HA2 GLY A 780 1.882 -7.573 0.176 1.00 43.34 H new ATOM 0 HA3 GLY A 780 0.638 -8.310 -0.815 1.00 43.34 H new ATOM 1154 N LYS A 781 -1.209 -6.405 0.094 1.00 15.50 N ATOM 1155 CA LYS A 781 -1.999 -5.178 0.046 1.00 51.12 C ATOM 1156 C LYS A 781 -1.623 -4.250 1.199 1.00 45.04 C ATOM 1157 O LYS A 781 -1.445 -3.044 1.006 1.00 72.53 O ATOM 1158 CB LYS A 781 -3.488 -5.516 0.115 1.00 23.42 C ATOM 1159 CG LYS A 781 -3.945 -6.469 -0.976 1.00 23.42 C ATOM 1160 CD LYS A 781 -5.397 -6.867 -0.789 1.00 23.22 C ATOM 1161 CE LYS A 781 -6.325 -5.674 -0.922 1.00 62.32 C ATOM 1162 NZ LYS A 781 -7.711 -6.003 -0.509 1.00 63.41 N ATOM 0 H LYS A 781 -1.758 -7.254 0.229 1.00 15.50 H new ATOM 0 HA LYS A 781 -1.788 -4.666 -0.893 1.00 51.12 H new ATOM 0 HB2 LYS A 781 -3.707 -5.957 1.087 1.00 23.42 H new ATOM 0 HB3 LYS A 781 -4.065 -4.594 0.046 1.00 23.42 H new ATOM 0 HG2 LYS A 781 -3.818 -5.997 -1.950 1.00 23.42 H new ATOM 0 HG3 LYS A 781 -3.318 -7.360 -0.969 1.00 23.42 H new ATOM 0 HD2 LYS A 781 -5.666 -7.622 -1.528 1.00 23.22 H new ATOM 0 HD3 LYS A 781 -5.527 -7.322 0.193 1.00 23.22 H new ATOM 0 HE2 LYS A 781 -5.950 -4.852 -0.312 1.00 62.32 H new ATOM 0 HE3 LYS A 781 -6.326 -5.329 -1.956 1.00 62.32 H new ATOM 0 HZ1 LYS A 781 -8.314 -5.162 -0.615 1.00 63.41 H new ATOM 0 HZ2 LYS A 781 -8.079 -6.770 -1.108 1.00 63.41 H new ATOM 0 HZ3 LYS A 781 -7.714 -6.308 0.485 1.00 63.41 H new ATOM 1176 N GLN A 782 -1.499 -4.822 2.392 1.00 62.44 N ATOM 1177 CA GLN A 782 -1.128 -4.059 3.577 1.00 40.34 C ATOM 1178 C GLN A 782 0.260 -3.448 3.427 1.00 13.24 C ATOM 1179 O GLN A 782 0.438 -2.250 3.636 1.00 64.55 O ATOM 1180 CB GLN A 782 -1.182 -4.947 4.820 1.00 4.03 C ATOM 1181 CG GLN A 782 -2.595 -5.319 5.240 1.00 30.44 C ATOM 1182 CD GLN A 782 -2.629 -6.417 6.285 1.00 2.42 C ATOM 1183 OE1 GLN A 782 -1.705 -6.562 7.085 1.00 35.23 O ATOM 1184 NE2 GLN A 782 -3.698 -7.199 6.286 1.00 32.11 N ATOM 0 H GLN A 782 -1.651 -5.816 2.564 1.00 62.44 H new ATOM 0 HA GLN A 782 -1.845 -3.246 3.691 1.00 40.34 H new ATOM 0 HB2 GLN A 782 -0.616 -5.859 4.630 1.00 4.03 H new ATOM 0 HB3 GLN A 782 -0.690 -4.433 5.646 1.00 4.03 H new ATOM 0 HG2 GLN A 782 -3.097 -4.435 5.633 1.00 30.44 H new ATOM 0 HG3 GLN A 782 -3.157 -5.641 4.363 1.00 30.44 H new ATOM 0 HE21 GLN A 782 -4.443 -7.046 5.606 1.00 32.11 H new ATOM 0 HE22 GLN A 782 -3.777 -7.954 6.967 1.00 32.11 H new ATOM 1193 N GLU A 783 1.230 -4.275 3.047 1.00 22.31 N ATOM 1194 CA GLU A 783 2.607 -3.826 2.871 1.00 53.11 C ATOM 1195 C GLU A 783 2.706 -2.738 1.814 1.00 21.30 C ATOM 1196 O GLU A 783 3.507 -1.812 1.947 1.00 31.23 O ATOM 1197 CB GLU A 783 3.510 -4.999 2.487 1.00 22.10 C ATOM 1198 CG GLU A 783 3.794 -5.951 3.635 1.00 32.53 C ATOM 1199 CD GLU A 783 4.482 -5.262 4.794 1.00 23.44 C ATOM 1200 OE1 GLU A 783 5.588 -4.718 4.592 1.00 15.11 O ATOM 1201 OE2 GLU A 783 3.928 -5.274 5.913 1.00 4.23 O ATOM 0 H GLU A 783 1.086 -5.266 2.854 1.00 22.31 H new ATOM 0 HA GLU A 783 2.939 -3.412 3.823 1.00 53.11 H new ATOM 0 HB2 GLU A 783 3.043 -5.554 1.673 1.00 22.10 H new ATOM 0 HB3 GLU A 783 4.455 -4.610 2.107 1.00 22.10 H new ATOM 0 HG2 GLU A 783 2.858 -6.391 3.980 1.00 32.53 H new ATOM 0 HG3 GLU A 783 4.419 -6.770 3.279 1.00 32.53 H new ATOM 1208 N ALA A 784 1.897 -2.854 0.764 1.00 24.50 N ATOM 1209 CA ALA A 784 1.867 -1.850 -0.291 1.00 72.51 C ATOM 1210 C ALA A 784 1.475 -0.496 0.278 1.00 31.44 C ATOM 1211 O ALA A 784 2.203 0.482 0.135 1.00 74.51 O ATOM 1212 CB ALA A 784 0.904 -2.261 -1.397 1.00 63.00 C ATOM 0 H ALA A 784 1.255 -3.634 0.623 1.00 24.50 H new ATOM 0 HA ALA A 784 2.866 -1.771 -0.719 1.00 72.51 H new ATOM 0 HB1 ALA A 784 0.896 -1.498 -2.175 1.00 63.00 H new ATOM 0 HB2 ALA A 784 1.225 -3.211 -1.824 1.00 63.00 H new ATOM 0 HB3 ALA A 784 -0.099 -2.369 -0.985 1.00 63.00 H new ATOM 1218 N ALA A 785 0.337 -0.454 0.950 1.00 23.20 N ATOM 1219 CA ALA A 785 -0.151 0.778 1.548 1.00 34.45 C ATOM 1220 C ALA A 785 0.810 1.279 2.625 1.00 11.11 C ATOM 1221 O ALA A 785 1.098 2.469 2.709 1.00 21.52 O ATOM 1222 CB ALA A 785 -1.534 0.555 2.128 1.00 53.12 C ATOM 0 H ALA A 785 -0.268 -1.262 1.096 1.00 23.20 H new ATOM 0 HA ALA A 785 -0.211 1.542 0.773 1.00 34.45 H new ATOM 0 HB1 ALA A 785 -1.895 1.481 2.575 1.00 53.12 H new ATOM 0 HB2 ALA A 785 -2.215 0.245 1.336 1.00 53.12 H new ATOM 0 HB3 ALA A 785 -1.488 -0.222 2.891 1.00 53.12 H new ATOM 1228 N ASP A 786 1.309 0.347 3.424 1.00 3.11 N ATOM 1229 CA ASP A 786 2.245 0.646 4.509 1.00 54.11 C ATOM 1230 C ASP A 786 3.485 1.364 3.978 1.00 15.44 C ATOM 1231 O ASP A 786 3.824 2.470 4.415 1.00 35.11 O ATOM 1232 CB ASP A 786 2.632 -0.670 5.200 1.00 54.43 C ATOM 1233 CG ASP A 786 3.490 -0.491 6.434 1.00 73.32 C ATOM 1234 OD1 ASP A 786 3.088 0.262 7.343 1.00 53.22 O ATOM 1235 OD2 ASP A 786 4.548 -1.151 6.523 1.00 61.23 O ATOM 0 H ASP A 786 1.078 -0.643 3.341 1.00 3.11 H new ATOM 0 HA ASP A 786 1.768 1.312 5.228 1.00 54.11 H new ATOM 0 HB2 ASP A 786 1.723 -1.203 5.477 1.00 54.43 H new ATOM 0 HB3 ASP A 786 3.166 -1.299 4.487 1.00 54.43 H new ATOM 1240 N ALA A 787 4.136 0.747 2.999 1.00 75.45 N ATOM 1241 CA ALA A 787 5.334 1.314 2.401 1.00 63.43 C ATOM 1242 C ALA A 787 5.023 2.614 1.666 1.00 53.03 C ATOM 1243 O ALA A 787 5.833 3.543 1.661 1.00 31.50 O ATOM 1244 CB ALA A 787 5.977 0.312 1.453 1.00 4.33 C ATOM 0 H ALA A 787 3.852 -0.149 2.603 1.00 75.45 H new ATOM 0 HA ALA A 787 6.035 1.541 3.204 1.00 63.43 H new ATOM 0 HB1 ALA A 787 6.873 0.750 1.013 1.00 4.33 H new ATOM 0 HB2 ALA A 787 6.247 -0.589 2.004 1.00 4.33 H new ATOM 0 HB3 ALA A 787 5.272 0.056 0.662 1.00 4.33 H new ATOM 1250 N ALA A 788 3.844 2.678 1.055 1.00 3.43 N ATOM 1251 CA ALA A 788 3.430 3.860 0.310 1.00 63.55 C ATOM 1252 C ALA A 788 3.274 5.068 1.226 1.00 53.22 C ATOM 1253 O ALA A 788 3.588 6.193 0.835 1.00 21.22 O ATOM 1254 CB ALA A 788 2.131 3.594 -0.434 1.00 52.02 C ATOM 0 H ALA A 788 3.158 1.923 1.062 1.00 3.43 H new ATOM 0 HA ALA A 788 4.212 4.085 -0.415 1.00 63.55 H new ATOM 0 HB1 ALA A 788 1.837 4.488 -0.985 1.00 52.02 H new ATOM 0 HB2 ALA A 788 2.274 2.769 -1.132 1.00 52.02 H new ATOM 0 HB3 ALA A 788 1.349 3.335 0.280 1.00 52.02 H new ATOM 1260 N LEU A 789 2.805 4.834 2.448 1.00 55.12 N ATOM 1261 CA LEU A 789 2.603 5.919 3.394 1.00 1.43 C ATOM 1262 C LEU A 789 3.933 6.562 3.757 1.00 13.14 C ATOM 1263 O LEU A 789 4.035 7.786 3.812 1.00 4.40 O ATOM 1264 CB LEU A 789 1.880 5.433 4.652 1.00 41.11 C ATOM 1265 CG LEU A 789 0.487 4.843 4.416 1.00 44.03 C ATOM 1266 CD1 LEU A 789 -0.192 4.522 5.739 1.00 65.34 C ATOM 1267 CD2 LEU A 789 -0.363 5.793 3.590 1.00 11.44 C ATOM 0 H LEU A 789 2.560 3.909 2.802 1.00 55.12 H new ATOM 0 HA LEU A 789 1.972 6.668 2.915 1.00 1.43 H new ATOM 0 HB2 LEU A 789 2.499 4.679 5.139 1.00 41.11 H new ATOM 0 HB3 LEU A 789 1.790 6.269 5.346 1.00 41.11 H new ATOM 0 HG LEU A 789 0.599 3.913 3.858 1.00 44.03 H new ATOM 0 HD11 LEU A 789 -1.180 4.104 5.549 1.00 65.34 H new ATOM 0 HD12 LEU A 789 0.408 3.798 6.290 1.00 65.34 H new ATOM 0 HD13 LEU A 789 -0.291 5.434 6.328 1.00 65.34 H new ATOM 0 HD21 LEU A 789 -1.349 5.356 3.433 1.00 11.44 H new ATOM 0 HD22 LEU A 789 -0.466 6.741 4.118 1.00 11.44 H new ATOM 0 HD23 LEU A 789 0.116 5.965 2.626 1.00 11.44 H new ATOM 1279 N ARG A 790 4.966 5.745 3.972 1.00 1.40 N ATOM 1280 CA ARG A 790 6.296 6.282 4.268 1.00 73.15 C ATOM 1281 C ARG A 790 6.830 7.106 3.102 1.00 12.24 C ATOM 1282 O ARG A 790 7.575 8.065 3.307 1.00 73.12 O ATOM 1283 CB ARG A 790 7.304 5.186 4.615 1.00 22.20 C ATOM 1284 CG ARG A 790 7.213 4.697 6.049 1.00 51.42 C ATOM 1285 CD ARG A 790 6.315 3.485 6.169 1.00 4.10 C ATOM 1286 NE ARG A 790 6.855 2.341 5.441 1.00 75.31 N ATOM 1287 CZ ARG A 790 6.869 1.103 5.917 1.00 62.30 C ATOM 1288 NH1 ARG A 790 6.446 0.862 7.150 1.00 32.41 N ATOM 1289 NH2 ARG A 790 7.335 0.110 5.170 1.00 23.31 N ATOM 0 H ARG A 790 4.911 4.727 3.948 1.00 1.40 H new ATOM 0 HA ARG A 790 6.176 6.923 5.142 1.00 73.15 H new ATOM 0 HB2 ARG A 790 7.153 4.341 3.943 1.00 22.20 H new ATOM 0 HB3 ARG A 790 8.311 5.561 4.433 1.00 22.20 H new ATOM 0 HG2 ARG A 790 8.210 4.449 6.413 1.00 51.42 H new ATOM 0 HG3 ARG A 790 6.832 5.497 6.683 1.00 51.42 H new ATOM 0 HD2 ARG A 790 6.194 3.224 7.220 1.00 4.10 H new ATOM 0 HD3 ARG A 790 5.324 3.726 5.785 1.00 4.10 H new ATOM 0 HE ARG A 790 7.244 2.503 4.512 1.00 75.31 H new ATOM 0 HH11 ARG A 790 6.110 1.629 7.733 1.00 32.41 H new ATOM 0 HH12 ARG A 790 6.457 -0.090 7.516 1.00 32.41 H new ATOM 0 HH21 ARG A 790 7.682 0.299 4.230 1.00 23.31 H new ATOM 0 HH22 ARG A 790 7.346 -0.842 5.536 1.00 23.31 H new ATOM 1303 N VAL A 791 6.455 6.733 1.883 1.00 51.14 N ATOM 1304 CA VAL A 791 6.832 7.507 0.704 1.00 31.31 C ATOM 1305 C VAL A 791 6.245 8.906 0.798 1.00 70.24 C ATOM 1306 O VAL A 791 6.955 9.901 0.681 1.00 52.51 O ATOM 1307 CB VAL A 791 6.342 6.852 -0.608 1.00 12.53 C ATOM 1308 CG1 VAL A 791 6.791 7.659 -1.819 1.00 71.51 C ATOM 1309 CG2 VAL A 791 6.831 5.419 -0.712 1.00 11.43 C ATOM 0 H VAL A 791 5.894 5.905 1.685 1.00 51.14 H new ATOM 0 HA VAL A 791 7.921 7.545 0.680 1.00 31.31 H new ATOM 0 HB VAL A 791 5.252 6.841 -0.590 1.00 12.53 H new ATOM 0 HG11 VAL A 791 6.434 7.178 -2.730 1.00 71.51 H new ATOM 0 HG12 VAL A 791 6.381 8.667 -1.757 1.00 71.51 H new ATOM 0 HG13 VAL A 791 7.880 7.710 -1.839 1.00 71.51 H new ATOM 0 HG21 VAL A 791 6.474 4.979 -1.643 1.00 11.43 H new ATOM 0 HG22 VAL A 791 7.921 5.405 -0.699 1.00 11.43 H new ATOM 0 HG23 VAL A 791 6.450 4.843 0.131 1.00 11.43 H new ATOM 1319 N LEU A 792 4.943 8.960 1.041 1.00 23.43 N ATOM 1320 CA LEU A 792 4.217 10.220 1.135 1.00 3.23 C ATOM 1321 C LEU A 792 4.749 11.068 2.286 1.00 10.10 C ATOM 1322 O LEU A 792 5.009 12.263 2.123 1.00 65.04 O ATOM 1323 CB LEU A 792 2.733 9.936 1.347 1.00 23.24 C ATOM 1324 CG LEU A 792 2.131 8.924 0.374 1.00 71.54 C ATOM 1325 CD1 LEU A 792 0.701 8.597 0.759 1.00 20.44 C ATOM 1326 CD2 LEU A 792 2.199 9.450 -1.050 1.00 21.25 C ATOM 0 H LEU A 792 4.361 8.134 1.178 1.00 23.43 H new ATOM 0 HA LEU A 792 4.358 10.774 0.207 1.00 3.23 H new ATOM 0 HB2 LEU A 792 2.588 9.572 2.364 1.00 23.24 H new ATOM 0 HB3 LEU A 792 2.182 10.873 1.263 1.00 23.24 H new ATOM 0 HG LEU A 792 2.715 8.005 0.428 1.00 71.54 H new ATOM 0 HD11 LEU A 792 0.290 7.875 0.054 1.00 20.44 H new ATOM 0 HD12 LEU A 792 0.682 8.174 1.764 1.00 20.44 H new ATOM 0 HD13 LEU A 792 0.101 9.507 0.737 1.00 20.44 H new ATOM 0 HD21 LEU A 792 1.766 8.716 -1.730 1.00 21.25 H new ATOM 0 HD22 LEU A 792 1.641 10.384 -1.120 1.00 21.25 H new ATOM 0 HD23 LEU A 792 3.239 9.628 -1.323 1.00 21.25 H new ATOM 1338 N ILE A 793 4.904 10.432 3.441 1.00 72.30 N ATOM 1339 CA ILE A 793 5.419 11.091 4.635 1.00 51.25 C ATOM 1340 C ILE A 793 6.811 11.666 4.392 1.00 31.21 C ATOM 1341 O ILE A 793 7.028 12.868 4.560 1.00 4.22 O ATOM 1342 CB ILE A 793 5.454 10.112 5.829 1.00 44.44 C ATOM 1343 CG1 ILE A 793 4.025 9.679 6.184 1.00 21.35 C ATOM 1344 CG2 ILE A 793 6.145 10.756 7.028 1.00 14.14 C ATOM 1345 CD1 ILE A 793 3.944 8.519 7.151 1.00 30.53 C ATOM 0 H ILE A 793 4.677 9.447 3.576 1.00 72.30 H new ATOM 0 HA ILE A 793 4.744 11.913 4.873 1.00 51.25 H new ATOM 0 HB ILE A 793 6.027 9.227 5.550 1.00 44.44 H new ATOM 0 HG12 ILE A 793 3.497 10.531 6.613 1.00 21.35 H new ATOM 0 HG13 ILE A 793 3.502 9.408 5.267 1.00 21.35 H new ATOM 0 HG21 ILE A 793 6.161 10.052 7.860 1.00 14.14 H new ATOM 0 HG22 ILE A 793 7.167 11.023 6.759 1.00 14.14 H new ATOM 0 HG23 ILE A 793 5.601 11.654 7.322 1.00 14.14 H new ATOM 0 HD11 ILE A 793 2.899 8.280 7.346 1.00 30.53 H new ATOM 0 HD12 ILE A 793 4.440 7.650 6.719 1.00 30.53 H new ATOM 0 HD13 ILE A 793 4.435 8.790 8.086 1.00 30.53 H new ATOM 1357 N GLY A 794 7.739 10.809 3.972 1.00 2.13 N ATOM 1358 CA GLY A 794 9.105 11.241 3.732 1.00 25.22 C ATOM 1359 C GLY A 794 9.191 12.307 2.661 1.00 62.05 C ATOM 1360 O GLY A 794 9.979 13.245 2.767 1.00 32.51 O ATOM 0 H GLY A 794 7.568 9.820 3.793 1.00 2.13 H new ATOM 0 HA2 GLY A 794 9.530 11.626 4.659 1.00 25.22 H new ATOM 0 HA3 GLY A 794 9.708 10.383 3.436 1.00 25.22 H new ATOM 1364 N GLU A 795 8.363 12.169 1.638 1.00 11.10 N ATOM 1365 CA GLU A 795 8.309 13.138 0.555 1.00 61.21 C ATOM 1366 C GLU A 795 7.857 14.502 1.072 1.00 53.21 C ATOM 1367 O GLU A 795 8.437 15.533 0.728 1.00 25.22 O ATOM 1368 CB GLU A 795 7.353 12.643 -0.529 1.00 73.40 C ATOM 1369 CG GLU A 795 7.211 13.585 -1.706 1.00 3.42 C ATOM 1370 CD GLU A 795 6.220 13.075 -2.725 1.00 51.10 C ATOM 1371 OE1 GLU A 795 5.006 13.288 -2.531 1.00 33.32 O ATOM 1372 OE2 GLU A 795 6.649 12.461 -3.723 1.00 63.22 O ATOM 0 H GLU A 795 7.714 11.389 1.535 1.00 11.10 H new ATOM 0 HA GLU A 795 9.308 13.248 0.133 1.00 61.21 H new ATOM 0 HB2 GLU A 795 7.701 11.676 -0.892 1.00 73.40 H new ATOM 0 HB3 GLU A 795 6.370 12.482 -0.086 1.00 73.40 H new ATOM 0 HG2 GLU A 795 6.892 14.564 -1.350 1.00 3.42 H new ATOM 0 HG3 GLU A 795 8.183 13.720 -2.181 1.00 3.42 H new ATOM 1379 N ASN A 796 6.832 14.503 1.919 1.00 62.32 N ATOM 1380 CA ASN A 796 6.275 15.751 2.434 1.00 51.22 C ATOM 1381 C ASN A 796 7.205 16.373 3.469 1.00 14.21 C ATOM 1382 O ASN A 796 7.138 17.573 3.740 1.00 70.50 O ATOM 1383 CB ASN A 796 4.897 15.524 3.051 1.00 52.04 C ATOM 1384 CG ASN A 796 4.163 16.831 3.297 1.00 63.32 C ATOM 1385 OD1 ASN A 796 4.329 17.465 4.337 1.00 63.22 O ATOM 1386 ND2 ASN A 796 3.337 17.234 2.347 1.00 23.15 N ATOM 0 H ASN A 796 6.372 13.660 2.262 1.00 62.32 H new ATOM 0 HA ASN A 796 6.172 16.436 1.593 1.00 51.22 H new ATOM 0 HB2 ASN A 796 4.303 14.893 2.390 1.00 52.04 H new ATOM 0 HB3 ASN A 796 5.005 14.986 3.993 1.00 52.04 H new ATOM 0 HD21 ASN A 796 2.810 18.099 2.463 1.00 23.15 H new ATOM 0 HD22 ASN A 796 3.227 16.680 1.498 1.00 23.15 H new