USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 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 776 SER OG : rot 180:sc=-0.00301 USER MOD Set 1.2: A 779 GLN : amide:sc= 0.435 K(o=0.43,f=-6.1!) USER MOD Single : A 722 TYR OH : rot -142:sc= 1.24 USER MOD Single : A 724 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 725 THR OG1 : rot 73:sc= 1.32 USER MOD Single : A 726 ASN : amide:sc= -0.818 K(o=-0.82,f=-1.9) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.036) USER MOD Single : A 745 LYS NZ :NH3+ -144:sc= -0.548 (180deg=-1.94) USER MOD Single : A 749 GLN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 750 SER OG : rot 118:sc= 1.15 USER MOD Single : A 754 HIS : no HD1:sc= -0.619 K(o=-0.62,f=-1.6) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 173:sc= -2.05! USER MOD Single : A 761 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.8) USER MOD Single : A 763 LYS NZ :NH3+ -163:sc= 2.48 (180deg=1.9) USER MOD Single : A 773 CYS SG : rot 45:sc= -0.0135 USER MOD Single : A 775 HIS : no HE2:sc= 0.917 K(o=0.92,f=-3.6!) 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 :FLIP amide:sc= -0.48 F(o=-1.3,f=-0.48) USER MOD Single : A 796 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.167 15.438 7.105 1.00 55.21 N ATOM 148 CA ILE A 716 0.963 14.219 7.099 1.00 1.14 C ATOM 149 C ILE A 716 0.764 13.418 8.382 1.00 4.34 C ATOM 150 O ILE A 716 0.874 12.190 8.385 1.00 21.34 O ATOM 151 CB ILE A 716 2.456 14.549 6.890 1.00 13.30 C ATOM 152 CG1 ILE A 716 2.638 15.292 5.563 1.00 44.02 C ATOM 153 CG2 ILE A 716 3.312 13.293 6.921 1.00 64.22 C ATOM 154 CD1 ILE A 716 2.129 14.527 4.354 1.00 52.44 C ATOM 0 HA ILE A 716 0.623 13.602 6.267 1.00 1.14 H new ATOM 0 HB ILE A 716 2.785 15.189 7.709 1.00 13.30 H new ATOM 0 HG12 ILE A 716 2.119 16.249 5.620 1.00 44.02 H new ATOM 0 HG13 ILE A 716 3.697 15.511 5.423 1.00 44.02 H new ATOM 0 HG21 ILE A 716 4.358 13.562 6.771 1.00 64.22 H new ATOM 0 HG22 ILE A 716 3.199 12.800 7.886 1.00 64.22 H new ATOM 0 HG23 ILE A 716 2.994 12.616 6.128 1.00 64.22 H new ATOM 0 HD11 ILE A 716 2.293 15.119 3.453 1.00 52.44 H new ATOM 0 HD12 ILE A 716 2.665 13.581 4.270 1.00 52.44 H new ATOM 0 HD13 ILE A 716 1.063 14.331 4.470 1.00 52.44 H new ATOM 166 N GLY A 717 0.435 14.119 9.464 1.00 41.45 N ATOM 167 CA GLY A 717 0.174 13.464 10.734 1.00 25.33 C ATOM 168 C GLY A 717 -0.921 12.418 10.632 1.00 35.03 C ATOM 169 O GLY A 717 -0.915 11.429 11.367 1.00 21.21 O ATOM 0 H GLY A 717 0.344 15.135 9.483 1.00 41.45 H new ATOM 0 HA2 GLY A 717 1.090 12.993 11.092 1.00 25.33 H new ATOM 0 HA3 GLY A 717 -0.110 14.212 11.474 1.00 25.33 H new ATOM 173 N GLU A 718 -1.853 12.639 9.707 1.00 43.44 N ATOM 174 CA GLU A 718 -2.922 11.686 9.454 1.00 13.34 C ATOM 175 C GLU A 718 -2.336 10.352 9.011 1.00 54.42 C ATOM 176 O GLU A 718 -2.605 9.319 9.611 1.00 13.22 O ATOM 177 CB GLU A 718 -3.869 12.211 8.371 1.00 51.20 C ATOM 178 CG GLU A 718 -4.489 13.557 8.699 1.00 34.44 C ATOM 179 CD GLU A 718 -5.389 13.513 9.913 1.00 74.43 C ATOM 180 OE1 GLU A 718 -4.876 13.665 11.041 1.00 5.32 O ATOM 181 OE2 GLU A 718 -6.614 13.338 9.747 1.00 45.23 O ATOM 0 H GLU A 718 -1.886 13.473 9.121 1.00 43.44 H new ATOM 0 HA GLU A 718 -3.484 11.549 10.378 1.00 13.34 H new ATOM 0 HB2 GLU A 718 -3.322 12.293 7.432 1.00 51.20 H new ATOM 0 HB3 GLU A 718 -4.665 11.483 8.214 1.00 51.20 H new ATOM 0 HG2 GLU A 718 -3.695 14.285 8.868 1.00 34.44 H new ATOM 0 HG3 GLU A 718 -5.063 13.905 7.840 1.00 34.44 H new ATOM 188 N LEU A 719 -1.494 10.397 7.985 1.00 45.34 N ATOM 189 CA LEU A 719 -0.909 9.188 7.417 1.00 63.22 C ATOM 190 C LEU A 719 -0.090 8.445 8.471 1.00 64.14 C ATOM 191 O LEU A 719 -0.075 7.213 8.506 1.00 64.13 O ATOM 192 CB LEU A 719 -0.020 9.518 6.207 1.00 50.34 C ATOM 193 CG LEU A 719 -0.727 10.108 4.974 1.00 30.15 C ATOM 194 CD1 LEU A 719 -1.992 9.330 4.649 1.00 70.11 C ATOM 195 CD2 LEU A 719 -1.038 11.586 5.161 1.00 5.02 C ATOM 0 H LEU A 719 -1.200 11.260 7.528 1.00 45.34 H new ATOM 0 HA LEU A 719 -1.726 8.549 7.082 1.00 63.22 H new ATOM 0 HB2 LEU A 719 0.747 10.222 6.530 1.00 50.34 H new ATOM 0 HB3 LEU A 719 0.493 8.606 5.902 1.00 50.34 H new ATOM 0 HG LEU A 719 -0.042 10.018 4.131 1.00 30.15 H new ATOM 0 HD11 LEU A 719 -2.473 9.767 3.774 1.00 70.11 H new ATOM 0 HD12 LEU A 719 -1.737 8.291 4.442 1.00 70.11 H new ATOM 0 HD13 LEU A 719 -2.674 9.374 5.498 1.00 70.11 H new ATOM 0 HD21 LEU A 719 -1.537 11.968 4.270 1.00 5.02 H new ATOM 0 HD22 LEU A 719 -1.690 11.714 6.025 1.00 5.02 H new ATOM 0 HD23 LEU A 719 -0.110 12.136 5.321 1.00 5.02 H new ATOM 207 N VAL A 720 0.572 9.205 9.340 1.00 64.25 N ATOM 208 CA VAL A 720 1.366 8.627 10.420 1.00 20.35 C ATOM 209 C VAL A 720 0.485 7.817 11.370 1.00 42.41 C ATOM 210 O VAL A 720 0.852 6.718 11.797 1.00 64.14 O ATOM 211 CB VAL A 720 2.112 9.720 11.220 1.00 73.32 C ATOM 212 CG1 VAL A 720 2.944 9.108 12.338 1.00 1.23 C ATOM 213 CG2 VAL A 720 2.988 10.558 10.304 1.00 10.10 C ATOM 0 H VAL A 720 0.574 10.225 9.317 1.00 64.25 H new ATOM 0 HA VAL A 720 2.101 7.967 9.960 1.00 20.35 H new ATOM 0 HB VAL A 720 1.363 10.371 11.671 1.00 73.32 H new ATOM 0 HG11 VAL A 720 3.458 9.899 12.884 1.00 1.23 H new ATOM 0 HG12 VAL A 720 2.292 8.561 13.019 1.00 1.23 H new ATOM 0 HG13 VAL A 720 3.679 8.425 11.912 1.00 1.23 H new ATOM 0 HG21 VAL A 720 3.502 11.320 10.890 1.00 10.10 H new ATOM 0 HG22 VAL A 720 3.723 9.917 9.817 1.00 10.10 H new ATOM 0 HG23 VAL A 720 2.368 11.039 9.548 1.00 10.10 H new ATOM 223 N ARG A 721 -0.696 8.348 11.676 1.00 51.23 N ATOM 224 CA ARG A 721 -1.612 7.679 12.593 1.00 11.01 C ATOM 225 C ARG A 721 -2.120 6.379 11.971 1.00 2.51 C ATOM 226 O ARG A 721 -2.481 5.439 12.677 1.00 5.43 O ATOM 227 CB ARG A 721 -2.791 8.596 12.964 1.00 3.10 C ATOM 228 CG ARG A 721 -4.005 8.437 12.062 1.00 32.43 C ATOM 229 CD ARG A 721 -5.102 9.424 12.407 1.00 54.20 C ATOM 230 NE ARG A 721 -6.317 9.163 11.640 1.00 53.40 N ATOM 231 CZ ARG A 721 -7.311 10.035 11.495 1.00 4.32 C ATOM 232 NH1 ARG A 721 -7.256 11.219 12.094 1.00 44.32 N ATOM 233 NH2 ARG A 721 -8.365 9.724 10.753 1.00 45.42 N ATOM 0 H ARG A 721 -1.039 9.234 11.305 1.00 51.23 H new ATOM 0 HA ARG A 721 -1.070 7.444 13.509 1.00 11.01 H new ATOM 0 HB2 ARG A 721 -3.087 8.392 13.993 1.00 3.10 H new ATOM 0 HB3 ARG A 721 -2.457 9.633 12.927 1.00 3.10 H new ATOM 0 HG2 ARG A 721 -3.706 8.576 11.023 1.00 32.43 H new ATOM 0 HG3 ARG A 721 -4.391 7.421 12.149 1.00 32.43 H new ATOM 0 HD2 ARG A 721 -5.324 9.366 13.473 1.00 54.20 H new ATOM 0 HD3 ARG A 721 -4.756 10.438 12.209 1.00 54.20 H new ATOM 0 HE ARG A 721 -6.409 8.254 11.187 1.00 53.40 H new ATOM 0 HH11 ARG A 721 -6.449 11.463 12.668 1.00 44.32 H new ATOM 0 HH12 ARG A 721 -8.021 11.884 11.980 1.00 44.32 H new ATOM 0 HH21 ARG A 721 -8.414 8.815 10.293 1.00 45.42 H new ATOM 0 HH22 ARG A 721 -9.127 10.394 10.643 1.00 45.42 H new ATOM 247 N TYR A 722 -2.132 6.327 10.641 1.00 1.20 N ATOM 248 CA TYR A 722 -2.561 5.130 9.934 1.00 34.14 C ATOM 249 C TYR A 722 -1.469 4.073 9.951 1.00 45.23 C ATOM 250 O TYR A 722 -1.760 2.886 9.964 1.00 62.40 O ATOM 251 CB TYR A 722 -2.979 5.455 8.502 1.00 12.20 C ATOM 252 CG TYR A 722 -4.302 6.179 8.419 1.00 72.21 C ATOM 253 CD1 TYR A 722 -5.500 5.491 8.551 1.00 22.43 C ATOM 254 CD2 TYR A 722 -4.354 7.548 8.212 1.00 74.41 C ATOM 255 CE1 TYR A 722 -6.711 6.149 8.483 1.00 44.22 C ATOM 256 CE2 TYR A 722 -5.557 8.216 8.143 1.00 32.31 C ATOM 257 CZ TYR A 722 -6.737 7.512 8.279 1.00 52.10 C ATOM 258 OH TYR A 722 -7.945 8.173 8.222 1.00 14.14 O ATOM 0 H TYR A 722 -1.850 7.098 10.036 1.00 1.20 H new ATOM 0 HA TYR A 722 -3.432 4.729 10.453 1.00 34.14 H new ATOM 0 HB2 TYR A 722 -2.207 6.067 8.035 1.00 12.20 H new ATOM 0 HB3 TYR A 722 -3.042 4.530 7.930 1.00 12.20 H new ATOM 0 HD1 TYR A 722 -5.484 4.423 8.710 1.00 22.43 H new ATOM 0 HD2 TYR A 722 -3.434 8.102 8.103 1.00 74.41 H new ATOM 0 HE1 TYR A 722 -7.634 5.599 8.589 1.00 44.22 H new ATOM 0 HE2 TYR A 722 -5.577 9.284 7.983 1.00 32.31 H new ATOM 0 HH TYR A 722 -7.904 8.871 7.536 1.00 14.14 H new ATOM 268 N LEU A 723 -0.215 4.503 9.977 1.00 23.04 N ATOM 269 CA LEU A 723 0.893 3.570 10.142 1.00 42.45 C ATOM 270 C LEU A 723 0.809 2.897 11.507 1.00 44.12 C ATOM 271 O LEU A 723 1.337 1.805 11.712 1.00 23.04 O ATOM 272 CB LEU A 723 2.239 4.280 9.991 1.00 74.03 C ATOM 273 CG LEU A 723 2.617 4.665 8.562 1.00 1.30 C ATOM 274 CD1 LEU A 723 3.940 5.410 8.545 1.00 32.34 C ATOM 275 CD2 LEU A 723 2.700 3.426 7.684 1.00 55.41 C ATOM 0 H LEU A 723 0.060 5.481 9.887 1.00 23.04 H new ATOM 0 HA LEU A 723 0.819 2.813 9.361 1.00 42.45 H new ATOM 0 HB2 LEU A 723 2.225 5.183 10.602 1.00 74.03 H new ATOM 0 HB3 LEU A 723 3.019 3.634 10.394 1.00 74.03 H new ATOM 0 HG LEU A 723 1.843 5.322 8.166 1.00 1.30 H new ATOM 0 HD11 LEU A 723 4.194 5.677 7.519 1.00 32.34 H new ATOM 0 HD12 LEU A 723 3.855 6.316 9.145 1.00 32.34 H new ATOM 0 HD13 LEU A 723 4.722 4.773 8.959 1.00 32.34 H new ATOM 0 HD21 LEU A 723 2.970 3.717 6.669 1.00 55.41 H new ATOM 0 HD22 LEU A 723 3.456 2.749 8.081 1.00 55.41 H new ATOM 0 HD23 LEU A 723 1.733 2.923 7.672 1.00 55.41 H new ATOM 287 N ASN A 724 0.144 3.564 12.437 1.00 35.44 N ATOM 288 CA ASN A 724 -0.082 3.015 13.768 1.00 21.34 C ATOM 289 C ASN A 724 -1.382 2.209 13.815 1.00 55.12 C ATOM 290 O ASN A 724 -1.523 1.283 14.614 1.00 43.42 O ATOM 291 CB ASN A 724 -0.121 4.149 14.797 1.00 23.34 C ATOM 292 CG ASN A 724 -0.388 3.660 16.209 1.00 71.21 C ATOM 293 OD1 ASN A 724 -1.534 3.582 16.643 1.00 41.43 O ATOM 294 ND2 ASN A 724 0.670 3.337 16.936 1.00 54.53 N ATOM 0 H ASN A 724 -0.252 4.493 12.294 1.00 35.44 H new ATOM 0 HA ASN A 724 0.740 2.341 14.009 1.00 21.34 H new ATOM 0 HB2 ASN A 724 0.829 4.683 14.777 1.00 23.34 H new ATOM 0 HB3 ASN A 724 -0.894 4.863 14.513 1.00 23.34 H new ATOM 0 HD21 ASN A 724 0.549 3.009 17.894 1.00 54.53 H new ATOM 0 HD22 ASN A 724 1.606 3.416 16.538 1.00 54.53 H new ATOM 301 N THR A 725 -2.322 2.546 12.940 1.00 74.32 N ATOM 302 CA THR A 725 -3.635 1.914 12.956 1.00 5.43 C ATOM 303 C THR A 725 -3.797 0.931 11.791 1.00 3.41 C ATOM 304 O THR A 725 -3.697 -0.287 11.970 1.00 74.10 O ATOM 305 CB THR A 725 -4.750 2.976 12.896 1.00 44.02 C ATOM 306 OG1 THR A 725 -4.473 4.019 13.841 1.00 50.32 O ATOM 307 CG2 THR A 725 -6.109 2.365 13.203 1.00 74.43 C ATOM 0 H THR A 725 -2.200 3.251 12.213 1.00 74.32 H new ATOM 0 HA THR A 725 -3.718 1.359 13.890 1.00 5.43 H new ATOM 0 HB THR A 725 -4.776 3.384 11.886 1.00 44.02 H new ATOM 0 HG1 THR A 725 -3.732 4.569 13.513 1.00 50.32 H new ATOM 0 HG21 THR A 725 -6.875 3.139 13.153 1.00 74.43 H new ATOM 0 HG22 THR A 725 -6.331 1.586 12.473 1.00 74.43 H new ATOM 0 HG23 THR A 725 -6.096 1.932 14.203 1.00 74.43 H new ATOM 315 N ASN A 726 -4.040 1.464 10.600 1.00 3.32 N ATOM 316 CA ASN A 726 -4.217 0.645 9.405 1.00 2.44 C ATOM 317 C ASN A 726 -3.646 1.360 8.187 1.00 23.13 C ATOM 318 O ASN A 726 -4.212 2.349 7.715 1.00 64.31 O ATOM 319 CB ASN A 726 -5.699 0.330 9.174 1.00 44.44 C ATOM 320 CG ASN A 726 -5.941 -0.426 7.878 1.00 5.12 C ATOM 321 OD1 ASN A 726 -5.096 -1.195 7.419 1.00 72.44 O ATOM 322 ND2 ASN A 726 -7.094 -0.202 7.272 1.00 52.30 N ATOM 0 H ASN A 726 -4.120 2.467 10.435 1.00 3.32 H new ATOM 0 HA ASN A 726 -3.682 -0.293 9.554 1.00 2.44 H new ATOM 0 HB2 ASN A 726 -6.076 -0.259 10.010 1.00 44.44 H new ATOM 0 HB3 ASN A 726 -6.266 1.261 9.159 1.00 44.44 H new ATOM 0 HD21 ASN A 726 -7.308 -0.673 6.393 1.00 52.30 H new ATOM 0 HD22 ASN A 726 -7.769 0.442 7.683 1.00 52.30 H new ATOM 329 N PRO A 727 -2.509 0.868 7.671 1.00 24.13 N ATOM 330 CA PRO A 727 -1.841 1.457 6.506 1.00 24.50 C ATOM 331 C PRO A 727 -2.749 1.511 5.280 1.00 21.13 C ATOM 332 O PRO A 727 -2.732 2.487 4.528 1.00 10.41 O ATOM 333 CB PRO A 727 -0.655 0.520 6.247 1.00 54.04 C ATOM 334 CG PRO A 727 -0.951 -0.724 7.011 1.00 60.03 C ATOM 335 CD PRO A 727 -1.771 -0.295 8.191 1.00 41.12 C ATOM 0 HA PRO A 727 -1.548 2.490 6.694 1.00 24.50 H new ATOM 0 HB2 PRO A 727 -0.547 0.310 5.183 1.00 54.04 H new ATOM 0 HB3 PRO A 727 0.280 0.971 6.579 1.00 54.04 H new ATOM 0 HG2 PRO A 727 -1.496 -1.440 6.396 1.00 60.03 H new ATOM 0 HG3 PRO A 727 -0.032 -1.214 7.331 1.00 60.03 H new ATOM 0 HD2 PRO A 727 -2.444 -1.085 8.524 1.00 41.12 H new ATOM 0 HD3 PRO A 727 -1.145 -0.029 9.043 1.00 41.12 H new ATOM 343 N VAL A 728 -3.552 0.466 5.096 1.00 64.10 N ATOM 344 CA VAL A 728 -4.456 0.381 3.953 1.00 1.14 C ATOM 345 C VAL A 728 -5.443 1.539 3.972 1.00 72.12 C ATOM 346 O VAL A 728 -5.639 2.220 2.966 1.00 23.13 O ATOM 347 CB VAL A 728 -5.230 -0.955 3.940 1.00 23.31 C ATOM 348 CG1 VAL A 728 -6.132 -1.049 2.716 1.00 5.25 C ATOM 349 CG2 VAL A 728 -4.266 -2.130 3.985 1.00 53.44 C ATOM 0 H VAL A 728 -3.595 -0.335 5.726 1.00 64.10 H new ATOM 0 HA VAL A 728 -3.847 0.434 3.050 1.00 1.14 H new ATOM 0 HB VAL A 728 -5.860 -0.991 4.828 1.00 23.31 H new ATOM 0 HG11 VAL A 728 -6.666 -1.999 2.730 1.00 5.25 H new ATOM 0 HG12 VAL A 728 -6.850 -0.229 2.729 1.00 5.25 H new ATOM 0 HG13 VAL A 728 -5.526 -0.987 1.812 1.00 5.25 H new ATOM 0 HG21 VAL A 728 -4.829 -3.063 3.975 1.00 53.44 H new ATOM 0 HG22 VAL A 728 -3.608 -2.094 3.117 1.00 53.44 H new ATOM 0 HG23 VAL A 728 -3.669 -2.076 4.895 1.00 53.44 H new ATOM 359 N GLY A 729 -6.037 1.770 5.138 1.00 35.13 N ATOM 360 CA GLY A 729 -6.968 2.868 5.293 1.00 24.22 C ATOM 361 C GLY A 729 -6.303 4.206 5.060 1.00 44.44 C ATOM 362 O GLY A 729 -6.929 5.136 4.560 1.00 24.32 O ATOM 0 H GLY A 729 -5.888 1.213 5.980 1.00 35.13 H new ATOM 0 HA2 GLY A 729 -7.794 2.746 4.592 1.00 24.22 H new ATOM 0 HA3 GLY A 729 -7.395 2.844 6.296 1.00 24.22 H new ATOM 366 N GLY A 730 -5.024 4.292 5.411 1.00 41.23 N ATOM 367 CA GLY A 730 -4.272 5.517 5.209 1.00 71.44 C ATOM 368 C GLY A 730 -4.049 5.823 3.746 1.00 32.31 C ATOM 369 O GLY A 730 -4.200 6.964 3.316 1.00 11.11 O ATOM 0 H GLY A 730 -4.493 3.531 5.834 1.00 41.23 H new ATOM 0 HA2 GLY A 730 -4.804 6.347 5.674 1.00 71.44 H new ATOM 0 HA3 GLY A 730 -3.308 5.435 5.711 1.00 71.44 H new ATOM 373 N LEU A 731 -3.690 4.801 2.981 1.00 13.41 N ATOM 374 CA LEU A 731 -3.468 4.958 1.550 1.00 40.55 C ATOM 375 C LEU A 731 -4.781 5.334 0.865 1.00 13.15 C ATOM 376 O LEU A 731 -4.814 6.193 -0.019 1.00 21.33 O ATOM 377 CB LEU A 731 -2.878 3.660 0.973 1.00 12.35 C ATOM 378 CG LEU A 731 -2.279 3.745 -0.440 1.00 72.45 C ATOM 379 CD1 LEU A 731 -3.359 3.633 -1.502 1.00 72.01 C ATOM 380 CD2 LEU A 731 -1.496 5.039 -0.616 1.00 60.11 C ATOM 0 H LEU A 731 -3.546 3.853 3.328 1.00 13.41 H new ATOM 0 HA LEU A 731 -2.753 5.761 1.369 1.00 40.55 H new ATOM 0 HB2 LEU A 731 -2.101 3.308 1.652 1.00 12.35 H new ATOM 0 HB3 LEU A 731 -3.662 2.903 0.966 1.00 12.35 H new ATOM 0 HG LEU A 731 -1.595 2.905 -0.562 1.00 72.45 H new ATOM 0 HD11 LEU A 731 -2.905 3.697 -2.491 1.00 72.01 H new ATOM 0 HD12 LEU A 731 -3.873 2.677 -1.399 1.00 72.01 H new ATOM 0 HD13 LEU A 731 -4.076 4.445 -1.379 1.00 72.01 H new ATOM 0 HD21 LEU A 731 -1.081 5.079 -1.623 1.00 60.11 H new ATOM 0 HD22 LEU A 731 -2.160 5.890 -0.464 1.00 60.11 H new ATOM 0 HD23 LEU A 731 -0.686 5.076 0.112 1.00 60.11 H new ATOM 392 N LEU A 732 -5.865 4.700 1.302 1.00 62.42 N ATOM 393 CA LEU A 732 -7.196 5.015 0.799 1.00 41.13 C ATOM 394 C LEU A 732 -7.576 6.451 1.157 1.00 3.32 C ATOM 395 O LEU A 732 -8.137 7.178 0.336 1.00 12.04 O ATOM 396 CB LEU A 732 -8.224 4.039 1.380 1.00 23.22 C ATOM 397 CG LEU A 732 -8.004 2.568 1.016 1.00 40.01 C ATOM 398 CD1 LEU A 732 -8.945 1.673 1.805 1.00 64.04 C ATOM 399 CD2 LEU A 732 -8.201 2.351 -0.475 1.00 1.24 C ATOM 0 H LEU A 732 -5.846 3.962 2.006 1.00 62.42 H new ATOM 0 HA LEU A 732 -7.189 4.917 -0.287 1.00 41.13 H new ATOM 0 HB2 LEU A 732 -8.217 4.133 2.466 1.00 23.22 H new ATOM 0 HB3 LEU A 732 -9.216 4.336 1.040 1.00 23.22 H new ATOM 0 HG LEU A 732 -6.978 2.305 1.274 1.00 40.01 H new ATOM 0 HD11 LEU A 732 -8.772 0.632 1.531 1.00 64.04 H new ATOM 0 HD12 LEU A 732 -8.762 1.803 2.872 1.00 64.04 H new ATOM 0 HD13 LEU A 732 -9.977 1.941 1.579 1.00 64.04 H new ATOM 0 HD21 LEU A 732 -8.040 1.300 -0.714 1.00 1.24 H new ATOM 0 HD22 LEU A 732 -9.216 2.635 -0.753 1.00 1.24 H new ATOM 0 HD23 LEU A 732 -7.488 2.962 -1.029 1.00 1.24 H new ATOM 411 N GLU A 733 -7.249 6.853 2.381 1.00 74.13 N ATOM 412 CA GLU A 733 -7.539 8.174 2.878 1.00 21.42 C ATOM 413 C GLU A 733 -6.752 9.231 2.105 1.00 42.41 C ATOM 414 O GLU A 733 -7.298 10.257 1.705 1.00 64.13 O ATOM 415 CB GLU A 733 -7.186 8.188 4.359 1.00 4.03 C ATOM 416 CG GLU A 733 -6.966 9.556 4.939 1.00 50.11 C ATOM 417 CD GLU A 733 -8.254 10.244 5.340 1.00 3.30 C ATOM 418 OE1 GLU A 733 -8.929 10.816 4.462 1.00 15.50 O ATOM 419 OE2 GLU A 733 -8.604 10.205 6.536 1.00 22.01 O ATOM 0 H GLU A 733 -6.770 6.257 3.056 1.00 74.13 H new ATOM 0 HA GLU A 733 -8.594 8.414 2.743 1.00 21.42 H new ATOM 0 HB2 GLU A 733 -7.986 7.697 4.914 1.00 4.03 H new ATOM 0 HB3 GLU A 733 -6.284 7.595 4.509 1.00 4.03 H new ATOM 0 HG2 GLU A 733 -6.318 9.475 5.811 1.00 50.11 H new ATOM 0 HG3 GLU A 733 -6.443 10.174 4.209 1.00 50.11 H new ATOM 426 N TYR A 734 -5.475 8.956 1.882 1.00 64.12 N ATOM 427 CA TYR A 734 -4.612 9.852 1.134 1.00 11.43 C ATOM 428 C TYR A 734 -5.185 10.137 -0.250 1.00 22.44 C ATOM 429 O TYR A 734 -5.337 11.294 -0.644 1.00 70.24 O ATOM 430 CB TYR A 734 -3.211 9.240 1.026 1.00 13.04 C ATOM 431 CG TYR A 734 -2.352 9.854 -0.052 1.00 25.11 C ATOM 432 CD1 TYR A 734 -1.639 11.022 0.172 1.00 65.24 C ATOM 433 CD2 TYR A 734 -2.259 9.254 -1.299 1.00 21.33 C ATOM 434 CE1 TYR A 734 -0.856 11.577 -0.821 1.00 72.34 C ATOM 435 CE2 TYR A 734 -1.481 9.801 -2.297 1.00 12.12 C ATOM 436 CZ TYR A 734 -0.780 10.964 -2.054 1.00 61.42 C ATOM 437 OH TYR A 734 0.000 11.514 -3.045 1.00 40.24 O ATOM 0 H TYR A 734 -5.012 8.110 2.213 1.00 64.12 H new ATOM 0 HA TYR A 734 -4.548 10.802 1.664 1.00 11.43 H new ATOM 0 HB2 TYR A 734 -2.704 9.348 1.985 1.00 13.04 H new ATOM 0 HB3 TYR A 734 -3.307 8.171 0.835 1.00 13.04 H new ATOM 0 HD1 TYR A 734 -1.697 11.504 1.137 1.00 65.24 H new ATOM 0 HD2 TYR A 734 -2.805 8.343 -1.491 1.00 21.33 H new ATOM 0 HE1 TYR A 734 -0.306 12.487 -0.633 1.00 72.34 H new ATOM 0 HE2 TYR A 734 -1.421 9.322 -3.263 1.00 12.12 H new ATOM 0 HH TYR A 734 -0.055 10.959 -3.851 1.00 40.24 H new ATOM 447 N ALA A 735 -5.520 9.081 -0.978 1.00 31.32 N ATOM 448 CA ALA A 735 -6.031 9.221 -2.332 1.00 43.22 C ATOM 449 C ALA A 735 -7.390 9.910 -2.342 1.00 0.23 C ATOM 450 O ALA A 735 -7.611 10.849 -3.106 1.00 5.30 O ATOM 451 CB ALA A 735 -6.114 7.863 -3.008 1.00 64.01 C ATOM 0 H ALA A 735 -5.447 8.117 -0.652 1.00 31.32 H new ATOM 0 HA ALA A 735 -5.337 9.848 -2.891 1.00 43.22 H new ATOM 0 HB1 ALA A 735 -6.498 7.984 -4.021 1.00 64.01 H new ATOM 0 HB2 ALA A 735 -5.121 7.415 -3.047 1.00 64.01 H new ATOM 0 HB3 ALA A 735 -6.782 7.215 -2.441 1.00 64.01 H new ATOM 457 N ARG A 736 -8.283 9.464 -1.467 1.00 12.02 N ATOM 458 CA ARG A 736 -9.653 9.972 -1.429 1.00 71.10 C ATOM 459 C ARG A 736 -9.684 11.451 -1.054 1.00 62.24 C ATOM 460 O ARG A 736 -10.588 12.191 -1.448 1.00 13.11 O ATOM 461 CB ARG A 736 -10.478 9.165 -0.425 1.00 24.24 C ATOM 462 CG ARG A 736 -10.262 9.578 1.024 1.00 1.31 C ATOM 463 CD ARG A 736 -11.012 8.678 1.987 1.00 13.31 C ATOM 464 NE ARG A 736 -10.830 9.098 3.374 1.00 21.40 N ATOM 465 CZ ARG A 736 -11.627 8.731 4.376 1.00 65.24 C ATOM 466 NH1 ARG A 736 -12.678 7.953 4.145 1.00 62.30 N ATOM 467 NH2 ARG A 736 -11.363 9.137 5.607 1.00 30.53 N ATOM 0 H ARG A 736 -8.083 8.747 -0.769 1.00 12.02 H new ATOM 0 HA ARG A 736 -10.082 9.865 -2.425 1.00 71.10 H new ATOM 0 HB2 ARG A 736 -11.535 9.272 -0.669 1.00 24.24 H new ATOM 0 HB3 ARG A 736 -10.231 8.109 -0.532 1.00 24.24 H new ATOM 0 HG2 ARG A 736 -9.197 9.549 1.255 1.00 1.31 H new ATOM 0 HG3 ARG A 736 -10.590 10.609 1.160 1.00 1.31 H new ATOM 0 HD2 ARG A 736 -12.074 8.687 1.741 1.00 13.31 H new ATOM 0 HD3 ARG A 736 -10.666 7.651 1.870 1.00 13.31 H new ATOM 0 HE ARG A 736 -10.043 9.711 3.589 1.00 21.40 H new ATOM 0 HH11 ARG A 736 -12.878 7.634 3.197 1.00 62.30 H new ATOM 0 HH12 ARG A 736 -13.286 7.674 4.916 1.00 62.30 H new ATOM 0 HH21 ARG A 736 -10.552 9.729 5.786 1.00 30.53 H new ATOM 0 HH22 ARG A 736 -11.971 8.858 6.377 1.00 30.53 H new ATOM 481 N SER A 737 -8.701 11.867 -0.281 1.00 14.33 N ATOM 482 CA SER A 737 -8.613 13.246 0.161 1.00 42.50 C ATOM 483 C SER A 737 -7.945 14.124 -0.896 1.00 64.43 C ATOM 484 O SER A 737 -8.313 15.287 -1.077 1.00 10.04 O ATOM 485 CB SER A 737 -7.834 13.320 1.480 1.00 33.35 C ATOM 486 OG SER A 737 -7.794 14.642 1.982 1.00 64.23 O ATOM 0 H SER A 737 -7.948 11.267 0.056 1.00 14.33 H new ATOM 0 HA SER A 737 -9.625 13.621 0.317 1.00 42.50 H new ATOM 0 HB2 SER A 737 -8.298 12.664 2.216 1.00 33.35 H new ATOM 0 HB3 SER A 737 -6.818 12.957 1.325 1.00 33.35 H new ATOM 0 HG SER A 737 -7.292 14.657 2.824 1.00 64.23 H new ATOM 492 N HIS A 738 -6.973 13.561 -1.606 1.00 12.22 N ATOM 493 CA HIS A 738 -6.150 14.344 -2.524 1.00 70.12 C ATOM 494 C HIS A 738 -6.693 14.318 -3.951 1.00 51.35 C ATOM 495 O HIS A 738 -6.229 15.070 -4.811 1.00 51.04 O ATOM 496 CB HIS A 738 -4.701 13.848 -2.492 1.00 0.24 C ATOM 497 CG HIS A 738 -3.975 14.180 -1.219 1.00 20.41 C ATOM 498 ND1 HIS A 738 -2.628 14.459 -1.169 1.00 41.44 N ATOM 499 CD2 HIS A 738 -4.415 14.259 0.061 1.00 15.43 C ATOM 500 CE1 HIS A 738 -2.270 14.693 0.080 1.00 63.43 C ATOM 501 NE2 HIS A 738 -3.336 14.579 0.847 1.00 13.12 N ATOM 0 H HIS A 738 -6.736 12.570 -1.565 1.00 12.22 H new ATOM 0 HA HIS A 738 -6.182 15.380 -2.187 1.00 70.12 H new ATOM 0 HB2 HIS A 738 -4.693 12.767 -2.632 1.00 0.24 H new ATOM 0 HB3 HIS A 738 -4.159 14.282 -3.332 1.00 0.24 H new ATOM 0 HD2 HIS A 738 -5.428 14.100 0.400 1.00 15.43 H new ATOM 0 HE1 HIS A 738 -1.273 14.936 0.416 1.00 63.43 H new ATOM 0 HE2 HIS A 738 -3.356 14.707 1.859 1.00 13.12 H new ATOM 510 N GLY A 739 -7.666 13.457 -4.211 1.00 71.02 N ATOM 511 CA GLY A 739 -8.295 13.431 -5.521 1.00 73.52 C ATOM 512 C GLY A 739 -7.820 12.277 -6.375 1.00 0.41 C ATOM 513 O GLY A 739 -8.208 12.154 -7.537 1.00 0.12 O ATOM 0 H GLY A 739 -8.032 12.778 -3.544 1.00 71.02 H new ATOM 0 HA2 GLY A 739 -9.376 13.366 -5.399 1.00 73.52 H new ATOM 0 HA3 GLY A 739 -8.088 14.369 -6.037 1.00 73.52 H new ATOM 517 N PHE A 740 -6.985 11.428 -5.801 1.00 60.32 N ATOM 518 CA PHE A 740 -6.468 10.270 -6.513 1.00 40.01 C ATOM 519 C PHE A 740 -7.370 9.064 -6.297 1.00 22.02 C ATOM 520 O PHE A 740 -8.365 9.136 -5.573 1.00 2.50 O ATOM 521 CB PHE A 740 -5.053 9.931 -6.044 1.00 14.54 C ATOM 522 CG PHE A 740 -4.035 10.988 -6.353 1.00 51.34 C ATOM 523 CD1 PHE A 740 -3.386 11.001 -7.575 1.00 33.00 C ATOM 524 CD2 PHE A 740 -3.726 11.962 -5.421 1.00 34.14 C ATOM 525 CE1 PHE A 740 -2.444 11.967 -7.865 1.00 71.10 C ATOM 526 CE2 PHE A 740 -2.786 12.934 -5.703 1.00 54.11 C ATOM 527 CZ PHE A 740 -2.144 12.936 -6.926 1.00 62.10 C ATOM 0 H PHE A 740 -6.650 11.518 -4.842 1.00 60.32 H new ATOM 0 HA PHE A 740 -6.442 10.517 -7.574 1.00 40.01 H new ATOM 0 HB2 PHE A 740 -5.070 9.762 -4.967 1.00 14.54 H new ATOM 0 HB3 PHE A 740 -4.742 8.996 -6.509 1.00 14.54 H new ATOM 0 HD1 PHE A 740 -3.620 10.246 -8.311 1.00 33.00 H new ATOM 0 HD2 PHE A 740 -4.225 11.963 -4.463 1.00 34.14 H new ATOM 0 HE1 PHE A 740 -1.943 11.966 -8.822 1.00 71.10 H new ATOM 0 HE2 PHE A 740 -2.553 13.691 -4.969 1.00 54.11 H new ATOM 0 HZ PHE A 740 -1.408 13.694 -7.149 1.00 62.10 H new ATOM 537 N ALA A 741 -7.015 7.958 -6.929 1.00 55.14 N ATOM 538 CA ALA A 741 -7.715 6.702 -6.731 1.00 13.32 C ATOM 539 C ALA A 741 -6.746 5.660 -6.201 1.00 25.01 C ATOM 540 O ALA A 741 -5.630 5.539 -6.699 1.00 11.53 O ATOM 541 CB ALA A 741 -8.355 6.231 -8.027 1.00 14.34 C ATOM 0 H ALA A 741 -6.239 7.906 -7.589 1.00 55.14 H new ATOM 0 HA ALA A 741 -8.512 6.851 -6.002 1.00 13.32 H new ATOM 0 HB1 ALA A 741 -8.874 5.288 -7.855 1.00 14.34 H new ATOM 0 HB2 ALA A 741 -9.068 6.979 -8.374 1.00 14.34 H new ATOM 0 HB3 ALA A 741 -7.583 6.087 -8.783 1.00 14.34 H new ATOM 547 N ALA A 742 -7.167 4.924 -5.189 1.00 70.44 N ATOM 548 CA ALA A 742 -6.313 3.928 -4.564 1.00 21.04 C ATOM 549 C ALA A 742 -6.683 2.527 -5.033 1.00 42.34 C ATOM 550 O ALA A 742 -7.776 2.034 -4.744 1.00 22.14 O ATOM 551 CB ALA A 742 -6.410 4.029 -3.053 1.00 14.03 C ATOM 0 H ALA A 742 -8.099 4.997 -4.780 1.00 70.44 H new ATOM 0 HA ALA A 742 -5.282 4.122 -4.861 1.00 21.04 H new ATOM 0 HB1 ALA A 742 -5.766 3.278 -2.596 1.00 14.03 H new ATOM 0 HB2 ALA A 742 -6.093 5.022 -2.734 1.00 14.03 H new ATOM 0 HB3 ALA A 742 -7.441 3.860 -2.743 1.00 14.03 H new ATOM 557 N GLU A 743 -5.778 1.899 -5.767 1.00 30.12 N ATOM 558 CA GLU A 743 -6.011 0.558 -6.285 1.00 4.32 C ATOM 559 C GLU A 743 -4.907 -0.394 -5.840 1.00 35.23 C ATOM 560 O GLU A 743 -3.734 -0.023 -5.799 1.00 53.44 O ATOM 561 CB GLU A 743 -6.087 0.577 -7.813 1.00 2.42 C ATOM 562 CG GLU A 743 -7.250 1.383 -8.367 1.00 1.42 C ATOM 563 CD GLU A 743 -7.305 1.352 -9.878 1.00 14.44 C ATOM 564 OE1 GLU A 743 -7.650 0.289 -10.438 1.00 53.12 O ATOM 565 OE2 GLU A 743 -7.000 2.384 -10.513 1.00 63.21 O ATOM 0 H GLU A 743 -4.873 2.297 -6.018 1.00 30.12 H new ATOM 0 HA GLU A 743 -6.962 0.206 -5.885 1.00 4.32 H new ATOM 0 HB2 GLU A 743 -5.156 0.985 -8.207 1.00 2.42 H new ATOM 0 HB3 GLU A 743 -6.165 -0.448 -8.175 1.00 2.42 H new ATOM 0 HG2 GLU A 743 -8.184 0.992 -7.964 1.00 1.42 H new ATOM 0 HG3 GLU A 743 -7.165 2.416 -8.030 1.00 1.42 H new ATOM 572 N PHE A 744 -5.291 -1.614 -5.503 1.00 52.54 N ATOM 573 CA PHE A 744 -4.339 -2.651 -5.130 1.00 43.23 C ATOM 574 C PHE A 744 -4.499 -3.845 -6.055 1.00 62.42 C ATOM 575 O PHE A 744 -5.467 -4.600 -5.935 1.00 11.00 O ATOM 576 CB PHE A 744 -4.554 -3.102 -3.680 1.00 14.25 C ATOM 577 CG PHE A 744 -4.327 -2.028 -2.656 1.00 33.42 C ATOM 578 CD1 PHE A 744 -3.059 -1.795 -2.151 1.00 42.13 C ATOM 579 CD2 PHE A 744 -5.382 -1.261 -2.190 1.00 32.33 C ATOM 580 CE1 PHE A 744 -2.847 -0.818 -1.202 1.00 0.13 C ATOM 581 CE2 PHE A 744 -5.176 -0.280 -1.241 1.00 30.50 C ATOM 582 CZ PHE A 744 -3.907 -0.057 -0.745 1.00 74.44 C ATOM 0 H PHE A 744 -6.266 -1.914 -5.480 1.00 52.54 H new ATOM 0 HA PHE A 744 -3.334 -2.239 -5.220 1.00 43.23 H new ATOM 0 HB2 PHE A 744 -5.572 -3.477 -3.576 1.00 14.25 H new ATOM 0 HB3 PHE A 744 -3.885 -3.936 -3.469 1.00 14.25 H new ATOM 0 HD1 PHE A 744 -2.227 -2.385 -2.505 1.00 42.13 H new ATOM 0 HD2 PHE A 744 -6.377 -1.432 -2.573 1.00 32.33 H new ATOM 0 HE1 PHE A 744 -1.853 -0.647 -0.816 1.00 0.13 H new ATOM 0 HE2 PHE A 744 -6.007 0.312 -0.887 1.00 30.50 H new ATOM 0 HZ PHE A 744 -3.743 0.710 -0.002 1.00 74.44 H new ATOM 592 N LYS A 745 -3.571 -4.016 -6.981 1.00 51.30 N ATOM 593 CA LYS A 745 -3.675 -5.104 -7.940 1.00 45.23 C ATOM 594 C LYS A 745 -2.490 -6.050 -7.838 1.00 52.32 C ATOM 595 O LYS A 745 -1.399 -5.660 -7.414 1.00 14.12 O ATOM 596 CB LYS A 745 -3.778 -4.579 -9.374 1.00 41.12 C ATOM 597 CG LYS A 745 -2.575 -3.769 -9.831 1.00 15.41 C ATOM 598 CD LYS A 745 -2.346 -3.874 -11.338 1.00 52.30 C ATOM 599 CE LYS A 745 -3.543 -3.400 -12.158 1.00 62.45 C ATOM 600 NZ LYS A 745 -4.585 -4.455 -12.306 1.00 25.22 N ATOM 0 H LYS A 745 -2.747 -3.425 -7.090 1.00 51.30 H new ATOM 0 HA LYS A 745 -4.587 -5.649 -7.695 1.00 45.23 H new ATOM 0 HB2 LYS A 745 -3.910 -5.424 -10.049 1.00 41.12 H new ATOM 0 HB3 LYS A 745 -4.671 -3.960 -9.459 1.00 41.12 H new ATOM 0 HG2 LYS A 745 -2.719 -2.723 -9.559 1.00 15.41 H new ATOM 0 HG3 LYS A 745 -1.685 -4.115 -9.305 1.00 15.41 H new ATOM 0 HD2 LYS A 745 -1.471 -3.284 -11.609 1.00 52.30 H new ATOM 0 HD3 LYS A 745 -2.124 -4.910 -11.595 1.00 52.30 H new ATOM 0 HE2 LYS A 745 -3.982 -2.524 -11.681 1.00 62.45 H new ATOM 0 HE3 LYS A 745 -3.203 -3.088 -13.146 1.00 62.45 H new ATOM 0 HZ1 LYS A 745 -5.015 -4.388 -13.250 1.00 25.22 H new ATOM 0 HZ2 LYS A 745 -4.149 -5.392 -12.190 1.00 25.22 H new ATOM 0 HZ3 LYS A 745 -5.319 -4.322 -11.581 1.00 25.22 H new ATOM 614 N LEU A 746 -2.721 -7.295 -8.222 1.00 3.00 N ATOM 615 CA LEU A 746 -1.656 -8.272 -8.322 1.00 21.41 C ATOM 616 C LEU A 746 -0.934 -8.099 -9.651 1.00 54.32 C ATOM 617 O LEU A 746 -1.527 -8.268 -10.718 1.00 51.40 O ATOM 618 CB LEU A 746 -2.213 -9.694 -8.214 1.00 32.42 C ATOM 619 CG LEU A 746 -1.176 -10.808 -8.384 1.00 22.04 C ATOM 620 CD1 LEU A 746 -0.187 -10.804 -7.230 1.00 1.41 C ATOM 621 CD2 LEU A 746 -1.860 -12.161 -8.502 1.00 53.52 C ATOM 0 H LEU A 746 -3.644 -7.652 -8.470 1.00 3.00 H new ATOM 0 HA LEU A 746 -0.957 -8.114 -7.501 1.00 21.41 H new ATOM 0 HB2 LEU A 746 -2.691 -9.808 -7.241 1.00 32.42 H new ATOM 0 HB3 LEU A 746 -2.990 -9.823 -8.968 1.00 32.42 H new ATOM 0 HG LEU A 746 -0.623 -10.623 -9.305 1.00 22.04 H new ATOM 0 HD11 LEU A 746 0.540 -11.603 -7.371 1.00 1.41 H new ATOM 0 HD12 LEU A 746 0.330 -9.845 -7.197 1.00 1.41 H new ATOM 0 HD13 LEU A 746 -0.721 -10.961 -6.293 1.00 1.41 H new ATOM 0 HD21 LEU A 746 -1.107 -12.940 -8.622 1.00 53.52 H new ATOM 0 HD22 LEU A 746 -2.442 -12.354 -7.601 1.00 53.52 H new ATOM 0 HD23 LEU A 746 -2.522 -12.160 -9.368 1.00 53.52 H new ATOM 633 N VAL A 747 0.332 -7.741 -9.585 1.00 23.44 N ATOM 634 CA VAL A 747 1.122 -7.547 -10.785 1.00 4.31 C ATOM 635 C VAL A 747 1.758 -8.860 -11.217 1.00 44.41 C ATOM 636 O VAL A 747 1.673 -9.252 -12.382 1.00 53.02 O ATOM 637 CB VAL A 747 2.223 -6.485 -10.575 1.00 70.53 C ATOM 638 CG1 VAL A 747 3.006 -6.254 -11.859 1.00 20.22 C ATOM 639 CG2 VAL A 747 1.615 -5.183 -10.076 1.00 70.32 C ATOM 0 H VAL A 747 0.836 -7.578 -8.714 1.00 23.44 H new ATOM 0 HA VAL A 747 0.449 -7.192 -11.566 1.00 4.31 H new ATOM 0 HB VAL A 747 2.916 -6.856 -9.820 1.00 70.53 H new ATOM 0 HG11 VAL A 747 3.776 -5.502 -11.686 1.00 20.22 H new ATOM 0 HG12 VAL A 747 3.474 -7.187 -12.172 1.00 20.22 H new ATOM 0 HG13 VAL A 747 2.330 -5.907 -12.640 1.00 20.22 H new ATOM 0 HG21 VAL A 747 2.404 -4.444 -9.933 1.00 70.32 H new ATOM 0 HG22 VAL A 747 0.899 -4.812 -10.809 1.00 70.32 H new ATOM 0 HG23 VAL A 747 1.106 -5.359 -9.128 1.00 70.32 H new ATOM 649 N ASP A 748 2.367 -9.555 -10.268 1.00 63.13 N ATOM 650 CA ASP A 748 3.069 -10.792 -10.574 1.00 34.42 C ATOM 651 C ASP A 748 2.864 -11.828 -9.479 1.00 15.23 C ATOM 652 O ASP A 748 2.776 -11.492 -8.299 1.00 70.12 O ATOM 653 CB ASP A 748 4.563 -10.520 -10.751 1.00 21.44 C ATOM 654 CG ASP A 748 5.347 -11.777 -11.067 1.00 13.43 C ATOM 655 OD1 ASP A 748 5.370 -12.182 -12.247 1.00 2.13 O ATOM 656 OD2 ASP A 748 5.946 -12.361 -10.142 1.00 31.32 O ATOM 0 H ASP A 748 2.389 -9.285 -9.285 1.00 63.13 H new ATOM 0 HA ASP A 748 2.658 -11.188 -11.503 1.00 34.42 H new ATOM 0 HB2 ASP A 748 4.705 -9.796 -11.553 1.00 21.44 H new ATOM 0 HB3 ASP A 748 4.957 -10.069 -9.841 1.00 21.44 H new ATOM 661 N GLN A 749 2.768 -13.082 -9.884 1.00 62.01 N ATOM 662 CA GLN A 749 2.690 -14.191 -8.950 1.00 62.42 C ATOM 663 C GLN A 749 3.710 -15.251 -9.338 1.00 61.10 C ATOM 664 O GLN A 749 3.493 -16.027 -10.271 1.00 23.31 O ATOM 665 CB GLN A 749 1.281 -14.789 -8.929 1.00 23.23 C ATOM 666 CG GLN A 749 1.140 -15.975 -7.985 1.00 43.22 C ATOM 667 CD GLN A 749 -0.255 -16.571 -7.981 1.00 31.41 C ATOM 668 OE1 GLN A 749 -1.260 -15.738 -8.199 1.00 74.43 O flip ATOM 669 NE2 GLN A 749 -0.428 -17.772 -7.773 1.00 53.21 N flip ATOM 0 H GLN A 749 2.742 -13.359 -10.865 1.00 62.01 H new ATOM 0 HA GLN A 749 2.912 -13.824 -7.948 1.00 62.42 H new ATOM 0 HB2 GLN A 749 0.571 -14.016 -8.637 1.00 23.23 H new ATOM 0 HB3 GLN A 749 1.013 -15.103 -9.938 1.00 23.23 H new ATOM 0 HG2 GLN A 749 1.857 -16.745 -8.270 1.00 43.22 H new ATOM 0 HG3 GLN A 749 1.396 -15.659 -6.974 1.00 43.22 H new ATOM 0 HE21 GLN A 749 0.373 -18.382 -7.609 1.00 53.21 H new ATOM 0 HE22 GLN A 749 -1.372 -18.157 -7.765 1.00 53.21 H new ATOM 678 N SER A 750 4.830 -15.261 -8.637 1.00 45.23 N ATOM 679 CA SER A 750 5.910 -16.188 -8.937 1.00 42.41 C ATOM 680 C SER A 750 6.470 -16.790 -7.654 1.00 41.43 C ATOM 681 O SER A 750 7.107 -16.098 -6.857 1.00 11.42 O ATOM 682 CB SER A 750 7.020 -15.472 -9.711 1.00 43.11 C ATOM 683 OG SER A 750 6.503 -14.834 -10.868 1.00 13.52 O ATOM 0 H SER A 750 5.017 -14.636 -7.853 1.00 45.23 H new ATOM 0 HA SER A 750 5.512 -16.994 -9.553 1.00 42.41 H new ATOM 0 HB2 SER A 750 7.499 -14.734 -9.068 1.00 43.11 H new ATOM 0 HB3 SER A 750 7.788 -16.190 -10.000 1.00 43.11 H new ATOM 0 HG SER A 750 6.646 -13.867 -10.800 1.00 13.52 H new ATOM 689 N GLY A 751 6.223 -18.074 -7.457 1.00 11.42 N ATOM 690 CA GLY A 751 6.710 -18.753 -6.277 1.00 22.53 C ATOM 691 C GLY A 751 6.192 -20.171 -6.191 1.00 64.45 C ATOM 692 O GLY A 751 5.424 -20.600 -7.054 1.00 24.35 O ATOM 0 H GLY A 751 5.690 -18.662 -8.098 1.00 11.42 H new ATOM 0 HA2 GLY A 751 7.800 -18.764 -6.288 1.00 22.53 H new ATOM 0 HA3 GLY A 751 6.406 -18.200 -5.388 1.00 22.53 H new ATOM 696 N PRO A 752 6.604 -20.926 -5.164 1.00 25.15 N ATOM 697 CA PRO A 752 6.146 -22.300 -4.955 1.00 32.44 C ATOM 698 C PRO A 752 4.683 -22.354 -4.509 1.00 72.12 C ATOM 699 O PRO A 752 4.166 -21.394 -3.941 1.00 14.33 O ATOM 700 CB PRO A 752 7.068 -22.820 -3.851 1.00 55.53 C ATOM 701 CG PRO A 752 7.500 -21.604 -3.109 1.00 32.50 C ATOM 702 CD PRO A 752 7.555 -20.494 -4.121 1.00 0.11 C ATOM 0 HA PRO A 752 6.188 -22.892 -5.869 1.00 32.44 H new ATOM 0 HB2 PRO A 752 6.546 -23.518 -3.196 1.00 55.53 H new ATOM 0 HB3 PRO A 752 7.923 -23.353 -4.268 1.00 55.53 H new ATOM 0 HG2 PRO A 752 6.799 -21.367 -2.308 1.00 32.50 H new ATOM 0 HG3 PRO A 752 8.474 -21.757 -2.645 1.00 32.50 H new ATOM 0 HD2 PRO A 752 7.264 -19.539 -3.684 1.00 0.11 H new ATOM 0 HD3 PRO A 752 8.560 -20.368 -4.523 1.00 0.11 H new ATOM 710 N PRO A 753 4.003 -23.483 -4.754 1.00 53.43 N ATOM 711 CA PRO A 753 2.576 -23.632 -4.438 1.00 63.44 C ATOM 712 C PRO A 753 2.287 -23.566 -2.939 1.00 14.34 C ATOM 713 O PRO A 753 1.218 -23.119 -2.521 1.00 53.41 O ATOM 714 CB PRO A 753 2.225 -25.018 -4.989 1.00 31.31 C ATOM 715 CG PRO A 753 3.525 -25.742 -5.077 1.00 33.14 C ATOM 716 CD PRO A 753 4.560 -24.697 -5.371 1.00 45.13 C ATOM 0 HA PRO A 753 1.987 -22.823 -4.871 1.00 63.44 H new ATOM 0 HB2 PRO A 753 1.528 -25.538 -4.332 1.00 31.31 H new ATOM 0 HB3 PRO A 753 1.748 -24.944 -5.966 1.00 31.31 H new ATOM 0 HG2 PRO A 753 3.747 -26.260 -4.144 1.00 33.14 H new ATOM 0 HG3 PRO A 753 3.499 -26.497 -5.862 1.00 33.14 H new ATOM 0 HD2 PRO A 753 5.528 -24.958 -4.942 1.00 45.13 H new ATOM 0 HD3 PRO A 753 4.710 -24.570 -6.443 1.00 45.13 H new ATOM 724 N HIS A 754 3.245 -24.002 -2.130 1.00 15.33 N ATOM 725 CA HIS A 754 3.071 -24.013 -0.683 1.00 4.15 C ATOM 726 C HIS A 754 3.411 -22.652 -0.080 1.00 44.42 C ATOM 727 O HIS A 754 2.932 -22.304 0.998 1.00 4.22 O ATOM 728 CB HIS A 754 3.930 -25.114 -0.049 1.00 22.22 C ATOM 729 CG HIS A 754 5.406 -24.945 -0.254 1.00 74.50 C ATOM 730 ND1 HIS A 754 6.025 -25.362 -1.408 1.00 50.22 N ATOM 731 CD2 HIS A 754 6.334 -24.417 0.579 1.00 22.33 C ATOM 732 CE1 HIS A 754 7.308 -25.080 -1.252 1.00 12.54 C ATOM 733 NE2 HIS A 754 7.543 -24.507 -0.063 1.00 73.14 N ATOM 0 H HIS A 754 4.148 -24.352 -2.450 1.00 15.33 H new ATOM 0 HA HIS A 754 2.023 -24.223 -0.469 1.00 4.15 H new ATOM 0 HB2 HIS A 754 3.726 -25.146 1.021 1.00 22.22 H new ATOM 0 HB3 HIS A 754 3.626 -26.077 -0.460 1.00 22.22 H new ATOM 0 HD2 HIS A 754 6.156 -24.004 1.561 1.00 22.33 H new ATOM 0 HE1 HIS A 754 8.070 -25.285 -1.989 1.00 12.54 H new ATOM 0 HE2 HIS A 754 8.447 -24.198 0.295 1.00 73.14 H new ATOM 741 N GLU A 755 4.227 -21.886 -0.790 1.00 64.30 N ATOM 742 CA GLU A 755 4.623 -20.553 -0.352 1.00 33.13 C ATOM 743 C GLU A 755 4.490 -19.556 -1.496 1.00 35.10 C ATOM 744 O GLU A 755 5.492 -19.099 -2.049 1.00 41.13 O ATOM 745 CB GLU A 755 6.061 -20.559 0.171 1.00 73.42 C ATOM 746 CG GLU A 755 6.179 -20.915 1.640 1.00 63.45 C ATOM 747 CD GLU A 755 5.591 -19.844 2.534 1.00 55.12 C ATOM 748 OE1 GLU A 755 6.215 -18.772 2.671 1.00 10.54 O ATOM 749 OE2 GLU A 755 4.507 -20.068 3.107 1.00 14.32 O ATOM 0 H GLU A 755 4.632 -22.168 -1.682 1.00 64.30 H new ATOM 0 HA GLU A 755 3.960 -20.252 0.459 1.00 33.13 H new ATOM 0 HB2 GLU A 755 6.647 -21.269 -0.413 1.00 73.42 H new ATOM 0 HB3 GLU A 755 6.500 -19.575 0.009 1.00 73.42 H new ATOM 0 HG2 GLU A 755 5.670 -21.861 1.825 1.00 63.45 H new ATOM 0 HG3 GLU A 755 7.229 -21.062 1.894 1.00 63.45 H new ATOM 756 N PRO A 756 3.248 -19.214 -1.870 1.00 3.25 N ATOM 757 CA PRO A 756 2.988 -18.320 -3.000 1.00 70.31 C ATOM 758 C PRO A 756 3.526 -16.916 -2.755 1.00 10.13 C ATOM 759 O PRO A 756 3.495 -16.408 -1.632 1.00 42.32 O ATOM 760 CB PRO A 756 1.462 -18.302 -3.107 1.00 42.02 C ATOM 761 CG PRO A 756 0.973 -18.708 -1.761 1.00 33.12 C ATOM 762 CD PRO A 756 2.003 -19.656 -1.218 1.00 45.01 C ATOM 0 HA PRO A 756 3.481 -18.661 -3.911 1.00 70.31 H new ATOM 0 HB2 PRO A 756 1.098 -17.311 -3.376 1.00 42.02 H new ATOM 0 HB3 PRO A 756 1.113 -18.990 -3.877 1.00 42.02 H new ATOM 0 HG2 PRO A 756 0.858 -17.842 -1.110 1.00 33.12 H new ATOM 0 HG3 PRO A 756 -0.003 -19.188 -1.828 1.00 33.12 H new ATOM 0 HD2 PRO A 756 2.074 -19.594 -0.132 1.00 45.01 H new ATOM 0 HD3 PRO A 756 1.766 -20.691 -1.463 1.00 45.01 H new ATOM 770 N LYS A 757 4.035 -16.298 -3.806 1.00 1.32 N ATOM 771 CA LYS A 757 4.572 -14.954 -3.706 1.00 64.34 C ATOM 772 C LYS A 757 3.752 -14.009 -4.566 1.00 34.14 C ATOM 773 O LYS A 757 3.712 -14.142 -5.792 1.00 41.04 O ATOM 774 CB LYS A 757 6.039 -14.932 -4.139 1.00 13.42 C ATOM 775 CG LYS A 757 6.733 -13.599 -3.910 1.00 1.14 C ATOM 776 CD LYS A 757 8.133 -13.591 -4.507 1.00 64.32 C ATOM 777 CE LYS A 757 9.007 -14.693 -3.924 1.00 31.15 C ATOM 778 NZ LYS A 757 9.358 -14.446 -2.500 1.00 32.52 N ATOM 0 H LYS A 757 4.087 -16.707 -4.739 1.00 1.32 H new ATOM 0 HA LYS A 757 4.517 -14.627 -2.668 1.00 64.34 H new ATOM 0 HB2 LYS A 757 6.579 -15.708 -3.597 1.00 13.42 H new ATOM 0 HB3 LYS A 757 6.098 -15.183 -5.198 1.00 13.42 H new ATOM 0 HG2 LYS A 757 6.142 -12.798 -4.355 1.00 1.14 H new ATOM 0 HG3 LYS A 757 6.791 -13.396 -2.841 1.00 1.14 H new ATOM 0 HD2 LYS A 757 8.067 -13.714 -5.588 1.00 64.32 H new ATOM 0 HD3 LYS A 757 8.600 -12.623 -4.324 1.00 64.32 H new ATOM 0 HE2 LYS A 757 8.487 -15.647 -4.007 1.00 31.15 H new ATOM 0 HE3 LYS A 757 9.921 -14.777 -4.511 1.00 31.15 H new ATOM 0 HZ1 LYS A 757 9.953 -15.223 -2.149 1.00 32.52 H new ATOM 0 HZ2 LYS A 757 9.878 -13.549 -2.421 1.00 32.52 H new ATOM 0 HZ3 LYS A 757 8.488 -14.393 -1.932 1.00 32.52 H new ATOM 792 N PHE A 758 3.085 -13.072 -3.918 1.00 21.32 N ATOM 793 CA PHE A 758 2.211 -12.140 -4.606 1.00 3.20 C ATOM 794 C PHE A 758 2.838 -10.760 -4.662 1.00 4.41 C ATOM 795 O PHE A 758 3.020 -10.103 -3.634 1.00 34.01 O ATOM 796 CB PHE A 758 0.855 -12.067 -3.907 1.00 61.33 C ATOM 797 CG PHE A 758 0.150 -13.388 -3.828 1.00 21.54 C ATOM 798 CD1 PHE A 758 -0.583 -13.864 -4.904 1.00 21.05 C ATOM 799 CD2 PHE A 758 0.215 -14.152 -2.676 1.00 30.24 C ATOM 800 CE1 PHE A 758 -1.237 -15.078 -4.830 1.00 63.44 C ATOM 801 CE2 PHE A 758 -0.434 -15.366 -2.598 1.00 71.14 C ATOM 802 CZ PHE A 758 -1.162 -15.832 -3.675 1.00 71.32 C ATOM 0 H PHE A 758 3.133 -12.936 -2.908 1.00 21.32 H new ATOM 0 HA PHE A 758 2.065 -12.499 -5.625 1.00 3.20 H new ATOM 0 HB2 PHE A 758 0.996 -11.679 -2.898 1.00 61.33 H new ATOM 0 HB3 PHE A 758 0.220 -11.357 -4.436 1.00 61.33 H new ATOM 0 HD1 PHE A 758 -0.643 -13.279 -5.810 1.00 21.05 H new ATOM 0 HD2 PHE A 758 0.780 -13.793 -1.829 1.00 30.24 H new ATOM 0 HE1 PHE A 758 -1.807 -15.438 -5.674 1.00 63.44 H new ATOM 0 HE2 PHE A 758 -0.373 -15.953 -1.694 1.00 71.14 H new ATOM 0 HZ PHE A 758 -1.671 -16.783 -3.614 1.00 71.32 H new ATOM 812 N VAL A 759 3.180 -10.331 -5.864 1.00 52.23 N ATOM 813 CA VAL A 759 3.718 -9.003 -6.076 1.00 31.20 C ATOM 814 C VAL A 759 2.577 -8.018 -6.280 1.00 60.35 C ATOM 815 O VAL A 759 2.011 -7.919 -7.372 1.00 34.34 O ATOM 816 CB VAL A 759 4.665 -8.953 -7.294 1.00 11.52 C ATOM 817 CG1 VAL A 759 5.335 -7.591 -7.404 1.00 35.11 C ATOM 818 CG2 VAL A 759 5.706 -10.064 -7.215 1.00 1.10 C ATOM 0 H VAL A 759 3.093 -10.890 -6.713 1.00 52.23 H new ATOM 0 HA VAL A 759 4.296 -8.733 -5.192 1.00 31.20 H new ATOM 0 HB VAL A 759 4.069 -9.110 -8.193 1.00 11.52 H new ATOM 0 HG11 VAL A 759 5.997 -7.580 -8.270 1.00 35.11 H new ATOM 0 HG12 VAL A 759 4.574 -6.819 -7.520 1.00 35.11 H new ATOM 0 HG13 VAL A 759 5.914 -7.397 -6.501 1.00 35.11 H new ATOM 0 HG21 VAL A 759 6.363 -10.010 -8.083 1.00 1.10 H new ATOM 0 HG22 VAL A 759 6.296 -9.946 -6.306 1.00 1.10 H new ATOM 0 HG23 VAL A 759 5.205 -11.032 -7.199 1.00 1.10 H new ATOM 828 N TYR A 760 2.220 -7.321 -5.217 1.00 41.21 N ATOM 829 CA TYR A 760 1.157 -6.332 -5.268 1.00 2.50 C ATOM 830 C TYR A 760 1.743 -4.937 -5.378 1.00 14.43 C ATOM 831 O TYR A 760 2.783 -4.640 -4.786 1.00 45.15 O ATOM 832 CB TYR A 760 0.258 -6.428 -4.031 1.00 44.22 C ATOM 833 CG TYR A 760 -0.933 -7.331 -4.229 1.00 34.10 C ATOM 834 CD1 TYR A 760 -0.776 -8.703 -4.356 1.00 1.44 C ATOM 835 CD2 TYR A 760 -2.219 -6.806 -4.307 1.00 13.00 C ATOM 836 CE1 TYR A 760 -1.862 -9.529 -4.560 1.00 11.11 C ATOM 837 CE2 TYR A 760 -3.311 -7.627 -4.506 1.00 23.40 C ATOM 838 CZ TYR A 760 -3.127 -8.988 -4.636 1.00 44.45 C ATOM 839 OH TYR A 760 -4.209 -9.811 -4.845 1.00 42.45 O ATOM 0 H TYR A 760 2.655 -7.423 -4.300 1.00 41.21 H new ATOM 0 HA TYR A 760 0.549 -6.534 -6.150 1.00 2.50 H new ATOM 0 HB2 TYR A 760 0.847 -6.794 -3.190 1.00 44.22 H new ATOM 0 HB3 TYR A 760 -0.091 -5.430 -3.766 1.00 44.22 H new ATOM 0 HD1 TYR A 760 0.213 -9.132 -4.294 1.00 1.44 H new ATOM 0 HD2 TYR A 760 -2.365 -5.740 -4.210 1.00 13.00 H new ATOM 0 HE1 TYR A 760 -1.721 -10.595 -4.660 1.00 11.11 H new ATOM 0 HE2 TYR A 760 -4.304 -7.206 -4.560 1.00 23.40 H new ATOM 0 HH TYR A 760 -5.036 -9.292 -4.761 1.00 42.45 H new ATOM 849 N GLN A 761 1.081 -4.087 -6.141 1.00 23.23 N ATOM 850 CA GLN A 761 1.536 -2.724 -6.321 1.00 0.02 C ATOM 851 C GLN A 761 0.375 -1.765 -6.115 1.00 51.44 C ATOM 852 O GLN A 761 -0.745 -2.024 -6.569 1.00 14.43 O ATOM 853 CB GLN A 761 2.136 -2.548 -7.717 1.00 52.21 C ATOM 854 CG GLN A 761 2.869 -1.233 -7.921 1.00 13.31 C ATOM 855 CD GLN A 761 3.596 -1.182 -9.249 1.00 33.42 C ATOM 856 OE1 GLN A 761 3.169 -1.792 -10.231 1.00 53.31 O ATOM 857 NE2 GLN A 761 4.709 -0.468 -9.290 1.00 1.31 N ATOM 0 H GLN A 761 0.225 -4.318 -6.646 1.00 23.23 H new ATOM 0 HA GLN A 761 2.309 -2.504 -5.585 1.00 0.02 H new ATOM 0 HB2 GLN A 761 2.827 -3.369 -7.909 1.00 52.21 H new ATOM 0 HB3 GLN A 761 1.338 -2.624 -8.455 1.00 52.21 H new ATOM 0 HG2 GLN A 761 2.156 -0.410 -7.867 1.00 13.31 H new ATOM 0 HG3 GLN A 761 3.584 -1.089 -7.111 1.00 13.31 H new ATOM 0 HE21 GLN A 761 5.031 0.023 -8.456 1.00 1.31 H new ATOM 0 HE22 GLN A 761 5.245 -0.409 -10.156 1.00 1.31 H new ATOM 866 N ALA A 762 0.639 -0.676 -5.411 1.00 41.32 N ATOM 867 CA ALA A 762 -0.388 0.312 -5.138 1.00 55.33 C ATOM 868 C ALA A 762 -0.481 1.312 -6.279 1.00 51.25 C ATOM 869 O ALA A 762 0.456 2.066 -6.543 1.00 32.12 O ATOM 870 CB ALA A 762 -0.113 1.018 -3.818 1.00 24.55 C ATOM 0 H ALA A 762 1.555 -0.456 -5.019 1.00 41.32 H new ATOM 0 HA ALA A 762 -1.347 -0.199 -5.055 1.00 55.33 H new ATOM 0 HB1 ALA A 762 -0.894 1.755 -3.630 1.00 24.55 H new ATOM 0 HB2 ALA A 762 -0.102 0.287 -3.010 1.00 24.55 H new ATOM 0 HB3 ALA A 762 0.854 1.518 -3.868 1.00 24.55 H new ATOM 876 N LYS A 763 -1.604 1.293 -6.967 1.00 11.00 N ATOM 877 CA LYS A 763 -1.839 2.209 -8.063 1.00 30.22 C ATOM 878 C LYS A 763 -2.646 3.401 -7.571 1.00 24.33 C ATOM 879 O LYS A 763 -3.865 3.311 -7.397 1.00 41.41 O ATOM 880 CB LYS A 763 -2.575 1.497 -9.201 1.00 65.03 C ATOM 881 CG LYS A 763 -2.922 2.398 -10.372 1.00 20.32 C ATOM 882 CD LYS A 763 -3.731 1.651 -11.418 1.00 30.24 C ATOM 883 CE LYS A 763 -4.172 2.564 -12.549 1.00 44.11 C ATOM 884 NZ LYS A 763 -5.132 3.600 -12.085 1.00 35.20 N ATOM 0 H LYS A 763 -2.373 0.648 -6.784 1.00 11.00 H new ATOM 0 HA LYS A 763 -0.881 2.564 -8.443 1.00 30.22 H new ATOM 0 HB2 LYS A 763 -1.957 0.674 -9.560 1.00 65.03 H new ATOM 0 HB3 LYS A 763 -3.493 1.059 -8.808 1.00 65.03 H new ATOM 0 HG2 LYS A 763 -3.488 3.259 -10.017 1.00 20.32 H new ATOM 0 HG3 LYS A 763 -2.007 2.782 -10.822 1.00 20.32 H new ATOM 0 HD2 LYS A 763 -3.135 0.833 -11.823 1.00 30.24 H new ATOM 0 HD3 LYS A 763 -4.608 1.204 -10.949 1.00 30.24 H new ATOM 0 HE2 LYS A 763 -3.299 3.048 -12.986 1.00 44.11 H new ATOM 0 HE3 LYS A 763 -4.634 1.969 -13.337 1.00 44.11 H new ATOM 0 HZ1 LYS A 763 -5.624 4.009 -12.905 1.00 35.20 H new ATOM 0 HZ2 LYS A 763 -5.828 3.167 -11.445 1.00 35.20 H new ATOM 0 HZ3 LYS A 763 -4.617 4.350 -11.581 1.00 35.20 H new ATOM 898 N VAL A 764 -1.964 4.504 -7.322 1.00 1.53 N ATOM 899 CA VAL A 764 -2.615 5.704 -6.835 1.00 5.34 C ATOM 900 C VAL A 764 -2.735 6.709 -7.967 1.00 33.43 C ATOM 901 O VAL A 764 -1.768 7.379 -8.329 1.00 43.25 O ATOM 902 CB VAL A 764 -1.854 6.319 -5.643 1.00 70.24 C ATOM 903 CG1 VAL A 764 -2.572 7.554 -5.121 1.00 12.51 C ATOM 904 CG2 VAL A 764 -1.692 5.287 -4.539 1.00 41.30 C ATOM 0 H VAL A 764 -0.956 4.593 -7.450 1.00 1.53 H new ATOM 0 HA VAL A 764 -3.610 5.436 -6.480 1.00 5.34 H new ATOM 0 HB VAL A 764 -0.865 6.625 -5.984 1.00 70.24 H new ATOM 0 HG11 VAL A 764 -2.016 7.970 -4.281 1.00 12.51 H new ATOM 0 HG12 VAL A 764 -2.640 8.298 -5.915 1.00 12.51 H new ATOM 0 HG13 VAL A 764 -3.575 7.280 -4.793 1.00 12.51 H new ATOM 0 HG21 VAL A 764 -1.153 5.731 -3.702 1.00 41.30 H new ATOM 0 HG22 VAL A 764 -2.675 4.956 -4.203 1.00 41.30 H new ATOM 0 HG23 VAL A 764 -1.131 4.433 -4.919 1.00 41.30 H new ATOM 914 N GLY A 765 -3.923 6.783 -8.543 1.00 70.24 N ATOM 915 CA GLY A 765 -4.114 7.577 -9.732 1.00 50.13 C ATOM 916 C GLY A 765 -3.416 6.939 -10.912 1.00 11.44 C ATOM 917 O GLY A 765 -3.674 5.778 -11.238 1.00 73.55 O ATOM 0 H GLY A 765 -4.759 6.306 -8.206 1.00 70.24 H new ATOM 0 HA2 GLY A 765 -5.179 7.677 -9.942 1.00 50.13 H new ATOM 0 HA3 GLY A 765 -3.725 8.582 -9.572 1.00 50.13 H new ATOM 921 N GLY A 766 -2.517 7.677 -11.534 1.00 13.44 N ATOM 922 CA GLY A 766 -1.719 7.119 -12.605 1.00 2.31 C ATOM 923 C GLY A 766 -0.307 6.816 -12.147 1.00 23.22 C ATOM 924 O GLY A 766 0.606 6.694 -12.964 1.00 51.43 O ATOM 0 H GLY A 766 -2.323 8.655 -11.318 1.00 13.44 H new ATOM 0 HA2 GLY A 766 -2.188 6.205 -12.971 1.00 2.31 H new ATOM 0 HA3 GLY A 766 -1.689 7.819 -13.440 1.00 2.31 H new ATOM 928 N ARG A 767 -0.129 6.695 -10.838 1.00 44.12 N ATOM 929 CA ARG A 767 1.186 6.477 -10.262 1.00 74.40 C ATOM 930 C ARG A 767 1.249 5.113 -9.582 1.00 71.43 C ATOM 931 O ARG A 767 0.453 4.817 -8.690 1.00 1.15 O ATOM 932 CB ARG A 767 1.496 7.584 -9.257 1.00 61.10 C ATOM 933 CG ARG A 767 2.980 7.807 -9.024 1.00 61.55 C ATOM 934 CD ARG A 767 3.220 9.035 -8.163 1.00 31.35 C ATOM 935 NE ARG A 767 4.644 9.315 -7.977 1.00 10.41 N ATOM 936 CZ ARG A 767 5.126 10.498 -7.592 1.00 73.33 C ATOM 937 NH1 ARG A 767 4.298 11.514 -7.376 1.00 55.10 N ATOM 938 NH2 ARG A 767 6.434 10.668 -7.437 1.00 34.55 N ATOM 0 H ARG A 767 -0.884 6.745 -10.154 1.00 44.12 H new ATOM 0 HA ARG A 767 1.930 6.498 -11.058 1.00 74.40 H new ATOM 0 HB2 ARG A 767 1.050 8.515 -9.607 1.00 61.10 H new ATOM 0 HB3 ARG A 767 1.022 7.341 -8.306 1.00 61.10 H new ATOM 0 HG2 ARG A 767 3.411 6.930 -8.541 1.00 61.55 H new ATOM 0 HG3 ARG A 767 3.488 7.925 -9.981 1.00 61.55 H new ATOM 0 HD2 ARG A 767 2.740 9.898 -8.624 1.00 31.35 H new ATOM 0 HD3 ARG A 767 2.751 8.891 -7.190 1.00 31.35 H new ATOM 0 HE ARG A 767 5.308 8.561 -8.152 1.00 10.41 H new ATOM 0 HH11 ARG A 767 3.294 11.390 -7.504 1.00 55.10 H new ATOM 0 HH12 ARG A 767 4.666 12.418 -7.082 1.00 55.10 H new ATOM 0 HH21 ARG A 767 7.073 9.893 -7.612 1.00 34.55 H new ATOM 0 HH22 ARG A 767 6.799 11.574 -7.143 1.00 34.55 H new ATOM 952 N TRP A 768 2.189 4.289 -10.011 1.00 52.24 N ATOM 953 CA TRP A 768 2.335 2.945 -9.472 1.00 24.34 C ATOM 954 C TRP A 768 3.430 2.919 -8.412 1.00 62.45 C ATOM 955 O TRP A 768 4.615 2.933 -8.751 1.00 5.05 O ATOM 956 CB TRP A 768 2.701 1.954 -10.581 1.00 32.30 C ATOM 957 CG TRP A 768 1.795 1.990 -11.774 1.00 14.34 C ATOM 958 CD1 TRP A 768 1.851 2.867 -12.817 1.00 24.22 C ATOM 959 CD2 TRP A 768 0.714 1.096 -12.059 1.00 52.01 C ATOM 960 NE1 TRP A 768 0.868 2.580 -13.730 1.00 22.14 N ATOM 961 CE2 TRP A 768 0.156 1.497 -13.288 1.00 24.34 C ATOM 962 CE3 TRP A 768 0.163 -0.003 -11.393 1.00 4.40 C ATOM 963 CZ2 TRP A 768 -0.926 0.836 -13.864 1.00 73.12 C ATOM 964 CZ3 TRP A 768 -0.911 -0.657 -11.967 1.00 23.24 C ATOM 965 CH2 TRP A 768 -1.445 -0.236 -13.192 1.00 45.13 C ATOM 0 H TRP A 768 2.867 4.527 -10.735 1.00 52.24 H new ATOM 0 HA TRP A 768 1.382 2.657 -9.028 1.00 24.34 H new ATOM 0 HB2 TRP A 768 3.720 2.157 -10.909 1.00 32.30 H new ATOM 0 HB3 TRP A 768 2.694 0.946 -10.166 1.00 32.30 H new ATOM 0 HD1 TRP A 768 2.566 3.671 -12.911 1.00 24.22 H new ATOM 0 HE1 TRP A 768 0.696 3.090 -14.596 1.00 22.14 H new ATOM 0 HE3 TRP A 768 0.569 -0.334 -10.449 1.00 4.40 H new ATOM 0 HZ2 TRP A 768 -1.340 1.158 -14.808 1.00 73.12 H new ATOM 0 HZ3 TRP A 768 -1.346 -1.507 -11.463 1.00 23.24 H new ATOM 0 HH2 TRP A 768 -2.284 -0.769 -13.614 1.00 45.13 H new ATOM 976 N PHE A 769 3.043 2.886 -7.143 1.00 53.41 N ATOM 977 CA PHE A 769 4.010 2.834 -6.050 1.00 4.24 C ATOM 978 C PHE A 769 3.302 2.595 -4.719 1.00 20.13 C ATOM 979 O PHE A 769 2.236 3.153 -4.463 1.00 13.14 O ATOM 980 CB PHE A 769 4.838 4.131 -5.979 1.00 60.11 C ATOM 981 CG PHE A 769 4.134 5.293 -5.328 1.00 23.40 C ATOM 982 CD1 PHE A 769 3.095 5.949 -5.968 1.00 12.24 C ATOM 983 CD2 PHE A 769 4.516 5.723 -4.066 1.00 14.20 C ATOM 984 CE1 PHE A 769 2.452 7.011 -5.361 1.00 61.21 C ATOM 985 CE2 PHE A 769 3.877 6.783 -3.455 1.00 31.03 C ATOM 986 CZ PHE A 769 2.843 7.429 -4.105 1.00 65.41 C ATOM 0 H PHE A 769 2.068 2.894 -6.844 1.00 53.41 H new ATOM 0 HA PHE A 769 4.688 2.003 -6.245 1.00 4.24 H new ATOM 0 HB2 PHE A 769 5.759 3.929 -5.432 1.00 60.11 H new ATOM 0 HB3 PHE A 769 5.125 4.418 -6.990 1.00 60.11 H new ATOM 0 HD1 PHE A 769 2.784 5.627 -6.951 1.00 12.24 H new ATOM 0 HD2 PHE A 769 5.324 5.222 -3.554 1.00 14.20 H new ATOM 0 HE1 PHE A 769 1.643 7.514 -5.870 1.00 61.21 H new ATOM 0 HE2 PHE A 769 4.184 7.107 -2.472 1.00 31.03 H new ATOM 0 HZ PHE A 769 2.341 8.260 -3.631 1.00 65.41 H new ATOM 996 N PRO A 770 3.875 1.748 -3.857 1.00 13.13 N ATOM 997 CA PRO A 770 5.072 0.983 -4.157 1.00 22.22 C ATOM 998 C PRO A 770 4.737 -0.433 -4.628 1.00 60.43 C ATOM 999 O PRO A 770 3.563 -0.785 -4.773 1.00 41.10 O ATOM 1000 CB PRO A 770 5.764 0.946 -2.801 1.00 4.42 C ATOM 1001 CG PRO A 770 4.646 0.916 -1.805 1.00 21.23 C ATOM 1002 CD PRO A 770 3.420 1.485 -2.489 1.00 5.13 C ATOM 0 HA PRO A 770 5.671 1.413 -4.959 1.00 22.22 H new ATOM 0 HB2 PRO A 770 6.403 0.068 -2.706 1.00 4.42 H new ATOM 0 HB3 PRO A 770 6.400 1.820 -2.657 1.00 4.42 H new ATOM 0 HG2 PRO A 770 4.459 -0.103 -1.467 1.00 21.23 H new ATOM 0 HG3 PRO A 770 4.901 1.503 -0.923 1.00 21.23 H new ATOM 0 HD2 PRO A 770 2.589 0.780 -2.472 1.00 5.13 H new ATOM 0 HD3 PRO A 770 3.075 2.396 -2.000 1.00 5.13 H new ATOM 1010 N ALA A 771 5.761 -1.240 -4.860 1.00 32.13 N ATOM 1011 CA ALA A 771 5.570 -2.635 -5.232 1.00 12.42 C ATOM 1012 C ALA A 771 6.172 -3.546 -4.171 1.00 4.54 C ATOM 1013 O ALA A 771 7.317 -3.354 -3.759 1.00 11.14 O ATOM 1014 CB ALA A 771 6.192 -2.916 -6.592 1.00 2.22 C ATOM 0 H ALA A 771 6.737 -0.952 -4.797 1.00 32.13 H new ATOM 0 HA ALA A 771 4.501 -2.835 -5.299 1.00 12.42 H new ATOM 0 HB1 ALA A 771 6.039 -3.963 -6.853 1.00 2.22 H new ATOM 0 HB2 ALA A 771 5.723 -2.282 -7.345 1.00 2.22 H new ATOM 0 HB3 ALA A 771 7.260 -2.704 -6.554 1.00 2.22 H new ATOM 1020 N VAL A 772 5.397 -4.518 -3.713 1.00 3.35 N ATOM 1021 CA VAL A 772 5.852 -5.434 -2.673 1.00 2.30 C ATOM 1022 C VAL A 772 5.464 -6.873 -3.002 1.00 11.15 C ATOM 1023 O VAL A 772 4.420 -7.121 -3.602 1.00 35.41 O ATOM 1024 CB VAL A 772 5.276 -5.062 -1.287 1.00 25.55 C ATOM 1025 CG1 VAL A 772 5.814 -3.718 -0.820 1.00 33.24 C ATOM 1026 CG2 VAL A 772 3.755 -5.037 -1.320 1.00 14.34 C ATOM 0 H VAL A 772 4.449 -4.694 -4.045 1.00 3.35 H new ATOM 0 HA VAL A 772 6.938 -5.348 -2.636 1.00 2.30 H new ATOM 0 HB VAL A 772 5.593 -5.827 -0.578 1.00 25.55 H new ATOM 0 HG11 VAL A 772 5.395 -3.478 0.157 1.00 33.24 H new ATOM 0 HG12 VAL A 772 6.900 -3.767 -0.747 1.00 33.24 H new ATOM 0 HG13 VAL A 772 5.533 -2.945 -1.535 1.00 33.24 H new ATOM 0 HG21 VAL A 772 3.374 -4.773 -0.334 1.00 14.34 H new ATOM 0 HG22 VAL A 772 3.419 -4.299 -2.048 1.00 14.34 H new ATOM 0 HG23 VAL A 772 3.381 -6.021 -1.602 1.00 14.34 H new ATOM 1036 N CYS A 773 6.312 -7.816 -2.620 1.00 2.33 N ATOM 1037 CA CYS A 773 6.037 -9.225 -2.844 1.00 30.13 C ATOM 1038 C CYS A 773 5.827 -9.951 -1.518 1.00 44.24 C ATOM 1039 O CYS A 773 6.780 -10.242 -0.794 1.00 40.04 O ATOM 1040 CB CYS A 773 7.180 -9.862 -3.637 1.00 74.03 C ATOM 1041 SG CYS A 773 8.824 -9.442 -3.018 1.00 14.24 S ATOM 0 H CYS A 773 7.199 -7.629 -2.152 1.00 2.33 H new ATOM 0 HA CYS A 773 5.119 -9.314 -3.424 1.00 30.13 H new ATOM 0 HB2 CYS A 773 7.062 -10.945 -3.619 1.00 74.03 H new ATOM 0 HB3 CYS A 773 7.104 -9.550 -4.679 1.00 74.03 H new ATOM 0 HG CYS A 773 8.842 -9.555 -1.723 1.00 14.24 H new ATOM 1047 N ALA A 774 4.576 -10.236 -1.198 1.00 24.34 N ATOM 1048 CA ALA A 774 4.239 -10.857 0.074 1.00 53.41 C ATOM 1049 C ALA A 774 3.859 -12.320 -0.113 1.00 42.25 C ATOM 1050 O ALA A 774 3.867 -12.834 -1.231 1.00 52.10 O ATOM 1051 CB ALA A 774 3.115 -10.095 0.747 1.00 24.21 C ATOM 0 H ALA A 774 3.776 -10.047 -1.801 1.00 24.34 H new ATOM 0 HA ALA A 774 5.120 -10.821 0.715 1.00 53.41 H new ATOM 0 HB1 ALA A 774 2.872 -10.569 1.698 1.00 24.21 H new ATOM 0 HB2 ALA A 774 3.428 -9.066 0.924 1.00 24.21 H new ATOM 0 HB3 ALA A 774 2.235 -10.101 0.103 1.00 24.21 H new ATOM 1057 N HIS A 775 3.516 -12.984 0.986 1.00 41.53 N ATOM 1058 CA HIS A 775 3.177 -14.406 0.949 1.00 42.41 C ATOM 1059 C HIS A 775 1.671 -14.585 0.802 1.00 74.23 C ATOM 1060 O HIS A 775 1.176 -15.693 0.602 1.00 63.42 O ATOM 1061 CB HIS A 775 3.653 -15.119 2.225 1.00 45.52 C ATOM 1062 CG HIS A 775 5.129 -15.000 2.491 1.00 51.54 C ATOM 1063 ND1 HIS A 775 5.979 -16.086 2.547 1.00 23.34 N ATOM 1064 CD2 HIS A 775 5.899 -13.913 2.735 1.00 25.24 C ATOM 1065 CE1 HIS A 775 7.202 -15.667 2.811 1.00 20.21 C ATOM 1066 NE2 HIS A 775 7.181 -14.355 2.928 1.00 40.25 N ATOM 0 H HIS A 775 3.465 -12.563 1.913 1.00 41.53 H new ATOM 0 HA HIS A 775 3.683 -14.848 0.091 1.00 42.41 H new ATOM 0 HB2 HIS A 775 3.109 -14.713 3.078 1.00 45.52 H new ATOM 0 HB3 HIS A 775 3.393 -16.175 2.155 1.00 45.52 H new ATOM 0 HD1 HIS A 775 5.705 -17.058 2.407 1.00 23.34 H new ATOM 0 HD2 HIS A 775 5.564 -12.887 2.771 1.00 25.24 H new ATOM 0 HE1 HIS A 775 8.075 -16.295 2.914 1.00 20.21 H new ATOM 1075 N SER A 776 0.946 -13.481 0.915 1.00 50.54 N ATOM 1076 CA SER A 776 -0.505 -13.498 0.819 1.00 21.40 C ATOM 1077 C SER A 776 -1.018 -12.168 0.270 1.00 12.21 C ATOM 1078 O SER A 776 -0.276 -11.182 0.220 1.00 33.51 O ATOM 1079 CB SER A 776 -1.122 -13.776 2.191 1.00 11.35 C ATOM 1080 OG SER A 776 -0.722 -15.042 2.693 1.00 33.52 O ATOM 0 H SER A 776 1.344 -12.556 1.075 1.00 50.54 H new ATOM 0 HA SER A 776 -0.799 -14.293 0.134 1.00 21.40 H new ATOM 0 HB2 SER A 776 -0.824 -12.995 2.890 1.00 11.35 H new ATOM 0 HB3 SER A 776 -2.209 -13.739 2.117 1.00 11.35 H new ATOM 0 HG SER A 776 -1.131 -15.190 3.571 1.00 33.52 H new ATOM 1086 N LYS A 777 -2.284 -12.148 -0.136 1.00 24.41 N ATOM 1087 CA LYS A 777 -2.895 -10.957 -0.720 1.00 43.40 C ATOM 1088 C LYS A 777 -2.969 -9.814 0.280 1.00 53.53 C ATOM 1089 O LYS A 777 -2.456 -8.722 0.028 1.00 12.33 O ATOM 1090 CB LYS A 777 -4.307 -11.257 -1.205 1.00 74.22 C ATOM 1091 CG LYS A 777 -4.980 -10.050 -1.838 1.00 53.43 C ATOM 1092 CD LYS A 777 -6.488 -10.186 -1.856 1.00 11.34 C ATOM 1093 CE LYS A 777 -6.928 -11.483 -2.515 1.00 3.04 C ATOM 1094 NZ LYS A 777 -8.408 -11.612 -2.562 1.00 20.30 N ATOM 0 H LYS A 777 -2.911 -12.950 -0.071 1.00 24.41 H new ATOM 0 HA LYS A 777 -2.263 -10.661 -1.558 1.00 43.40 H new ATOM 0 HB2 LYS A 777 -4.272 -12.070 -1.930 1.00 74.22 H new ATOM 0 HB3 LYS A 777 -4.909 -11.604 -0.365 1.00 74.22 H new ATOM 0 HG2 LYS A 777 -4.704 -9.151 -1.288 1.00 53.43 H new ATOM 0 HG3 LYS A 777 -4.615 -9.925 -2.857 1.00 53.43 H new ATOM 0 HD2 LYS A 777 -6.869 -10.149 -0.835 1.00 11.34 H new ATOM 0 HD3 LYS A 777 -6.923 -9.341 -2.389 1.00 11.34 H new ATOM 0 HE2 LYS A 777 -6.528 -11.528 -3.528 1.00 3.04 H new ATOM 0 HE3 LYS A 777 -6.508 -12.327 -1.969 1.00 3.04 H new ATOM 0 HZ1 LYS A 777 -8.664 -12.510 -3.019 1.00 20.30 H new ATOM 0 HZ2 LYS A 777 -8.789 -11.595 -1.594 1.00 20.30 H new ATOM 0 HZ3 LYS A 777 -8.808 -10.821 -3.105 1.00 20.30 H new ATOM 1108 N LYS A 778 -3.632 -10.065 1.407 1.00 61.10 N ATOM 1109 CA LYS A 778 -3.855 -9.028 2.407 1.00 33.11 C ATOM 1110 C LYS A 778 -2.522 -8.524 2.942 1.00 62.31 C ATOM 1111 O LYS A 778 -2.370 -7.337 3.234 1.00 21.04 O ATOM 1112 CB LYS A 778 -4.736 -9.552 3.542 1.00 65.34 C ATOM 1113 CG LYS A 778 -5.227 -8.465 4.482 1.00 12.15 C ATOM 1114 CD LYS A 778 -6.122 -9.031 5.571 1.00 64.21 C ATOM 1115 CE LYS A 778 -6.684 -7.929 6.455 1.00 44.41 C ATOM 1116 NZ LYS A 778 -7.536 -8.475 7.543 1.00 22.02 N ATOM 0 H LYS A 778 -4.023 -10.976 1.648 1.00 61.10 H new ATOM 0 HA LYS A 778 -4.377 -8.194 1.937 1.00 33.11 H new ATOM 0 HB2 LYS A 778 -5.596 -10.067 3.115 1.00 65.34 H new ATOM 0 HB3 LYS A 778 -4.175 -10.290 4.115 1.00 65.34 H new ATOM 0 HG2 LYS A 778 -4.373 -7.963 4.936 1.00 12.15 H new ATOM 0 HG3 LYS A 778 -5.774 -7.712 3.915 1.00 12.15 H new ATOM 0 HD2 LYS A 778 -6.941 -9.589 5.117 1.00 64.21 H new ATOM 0 HD3 LYS A 778 -5.555 -9.735 6.180 1.00 64.21 H new ATOM 0 HE2 LYS A 778 -5.864 -7.357 6.888 1.00 44.41 H new ATOM 0 HE3 LYS A 778 -7.269 -7.238 5.847 1.00 44.41 H new ATOM 0 HZ1 LYS A 778 -7.901 -7.693 8.124 1.00 22.02 H new ATOM 0 HZ2 LYS A 778 -8.333 -9.000 7.130 1.00 22.02 H new ATOM 0 HZ3 LYS A 778 -6.972 -9.115 8.138 1.00 22.02 H new ATOM 1130 N GLN A 779 -1.560 -9.433 3.069 1.00 75.25 N ATOM 1131 CA GLN A 779 -0.186 -9.058 3.367 1.00 23.43 C ATOM 1132 C GLN A 779 0.301 -8.015 2.372 1.00 71.54 C ATOM 1133 O GLN A 779 0.713 -6.926 2.759 1.00 42.20 O ATOM 1134 CB GLN A 779 0.739 -10.274 3.306 1.00 74.41 C ATOM 1135 CG GLN A 779 0.637 -11.207 4.495 1.00 30.03 C ATOM 1136 CD GLN A 779 1.552 -12.409 4.354 1.00 42.15 C ATOM 1137 OE1 GLN A 779 2.592 -12.340 3.694 1.00 63.22 O ATOM 1138 NE2 GLN A 779 1.175 -13.513 4.972 1.00 61.33 N ATOM 0 H GLN A 779 -1.710 -10.437 2.969 1.00 75.25 H new ATOM 0 HA GLN A 779 -0.164 -8.646 4.376 1.00 23.43 H new ATOM 0 HB2 GLN A 779 0.517 -10.837 2.399 1.00 74.41 H new ATOM 0 HB3 GLN A 779 1.769 -9.926 3.221 1.00 74.41 H new ATOM 0 HG2 GLN A 779 0.890 -10.663 5.405 1.00 30.03 H new ATOM 0 HG3 GLN A 779 -0.393 -11.546 4.602 1.00 30.03 H new ATOM 0 HE21 GLN A 779 0.307 -13.527 5.507 1.00 61.33 H new ATOM 0 HE22 GLN A 779 1.752 -14.352 4.914 1.00 61.33 H new ATOM 1147 N GLY A 780 0.221 -8.360 1.088 1.00 34.34 N ATOM 1148 CA GLY A 780 0.690 -7.480 0.032 1.00 2.25 C ATOM 1149 C GLY A 780 0.015 -6.124 0.056 1.00 13.22 C ATOM 1150 O GLY A 780 0.688 -5.097 -0.018 1.00 20.24 O ATOM 0 H GLY A 780 -0.165 -9.245 0.759 1.00 34.34 H new ATOM 0 HA2 GLY A 780 1.767 -7.346 0.128 1.00 2.25 H new ATOM 0 HA3 GLY A 780 0.512 -7.952 -0.934 1.00 2.25 H new ATOM 1154 N LYS A 781 -1.310 -6.118 0.169 1.00 64.42 N ATOM 1155 CA LYS A 781 -2.065 -4.871 0.224 1.00 54.43 C ATOM 1156 C LYS A 781 -1.596 -3.992 1.384 1.00 12.32 C ATOM 1157 O LYS A 781 -1.397 -2.787 1.221 1.00 70.14 O ATOM 1158 CB LYS A 781 -3.559 -5.165 0.364 1.00 50.34 C ATOM 1159 CG LYS A 781 -4.151 -5.905 -0.824 1.00 45.33 C ATOM 1160 CD LYS A 781 -5.631 -6.190 -0.628 1.00 71.44 C ATOM 1161 CE LYS A 781 -6.429 -4.906 -0.435 1.00 3.15 C ATOM 1162 NZ LYS A 781 -7.882 -5.173 -0.299 1.00 54.25 N ATOM 0 H LYS A 781 -1.882 -6.961 0.224 1.00 64.42 H new ATOM 0 HA LYS A 781 -1.890 -4.330 -0.706 1.00 54.43 H new ATOM 0 HB2 LYS A 781 -3.721 -5.756 1.266 1.00 50.34 H new ATOM 0 HB3 LYS A 781 -4.094 -4.225 0.498 1.00 50.34 H new ATOM 0 HG2 LYS A 781 -4.011 -5.313 -1.728 1.00 45.33 H new ATOM 0 HG3 LYS A 781 -3.616 -6.843 -0.972 1.00 45.33 H new ATOM 0 HD2 LYS A 781 -6.015 -6.731 -1.492 1.00 71.44 H new ATOM 0 HD3 LYS A 781 -5.766 -6.837 0.239 1.00 71.44 H new ATOM 0 HE2 LYS A 781 -6.071 -4.386 0.453 1.00 3.15 H new ATOM 0 HE3 LYS A 781 -6.260 -4.242 -1.283 1.00 3.15 H new ATOM 0 HZ1 LYS A 781 -8.389 -4.274 -0.169 1.00 54.25 H new ATOM 0 HZ2 LYS A 781 -8.230 -5.646 -1.157 1.00 54.25 H new ATOM 0 HZ3 LYS A 781 -8.047 -5.786 0.525 1.00 54.25 H new ATOM 1176 N GLN A 782 -1.404 -4.602 2.547 1.00 64.42 N ATOM 1177 CA GLN A 782 -0.965 -3.868 3.728 1.00 74.12 C ATOM 1178 C GLN A 782 0.481 -3.405 3.583 1.00 54.33 C ATOM 1179 O GLN A 782 0.794 -2.254 3.877 1.00 4.25 O ATOM 1180 CB GLN A 782 -1.121 -4.723 4.986 1.00 53.31 C ATOM 1181 CG GLN A 782 -2.566 -5.051 5.319 1.00 53.21 C ATOM 1182 CD GLN A 782 -2.696 -5.923 6.550 1.00 23.02 C ATOM 1183 OE1 GLN A 782 -2.664 -7.228 6.354 1.00 64.33 O flip ATOM 1184 NE2 GLN A 782 -2.817 -5.426 7.671 1.00 14.45 N flip ATOM 0 H GLN A 782 -1.545 -5.601 2.698 1.00 64.42 H new ATOM 0 HA GLN A 782 -1.598 -2.986 3.824 1.00 74.12 H new ATOM 0 HB2 GLN A 782 -0.566 -5.652 4.855 1.00 53.31 H new ATOM 0 HB3 GLN A 782 -0.672 -4.199 5.830 1.00 53.31 H new ATOM 0 HG2 GLN A 782 -3.119 -4.124 5.475 1.00 53.21 H new ATOM 0 HG3 GLN A 782 -3.025 -5.557 4.470 1.00 53.21 H new ATOM 0 HE21 GLN A 782 -2.837 -4.412 7.780 1.00 14.45 H new ATOM 0 HE22 GLN A 782 -2.897 -6.029 8.490 1.00 14.45 H new ATOM 1193 N GLU A 783 1.353 -4.297 3.116 1.00 42.21 N ATOM 1194 CA GLU A 783 2.766 -3.969 2.927 1.00 22.42 C ATOM 1195 C GLU A 783 2.926 -2.817 1.945 1.00 14.55 C ATOM 1196 O GLU A 783 3.761 -1.931 2.139 1.00 52.52 O ATOM 1197 CB GLU A 783 3.548 -5.183 2.414 1.00 31.31 C ATOM 1198 CG GLU A 783 3.611 -6.349 3.390 1.00 32.14 C ATOM 1199 CD GLU A 783 4.323 -6.003 4.680 1.00 10.34 C ATOM 1200 OE1 GLU A 783 5.573 -5.981 4.686 1.00 41.44 O ATOM 1201 OE2 GLU A 783 3.640 -5.775 5.699 1.00 42.33 O ATOM 0 H GLU A 783 1.106 -5.253 2.861 1.00 42.21 H new ATOM 0 HA GLU A 783 3.166 -3.673 3.897 1.00 22.42 H new ATOM 0 HB2 GLU A 783 3.093 -5.527 1.485 1.00 31.31 H new ATOM 0 HB3 GLU A 783 4.564 -4.870 2.174 1.00 31.31 H new ATOM 0 HG2 GLU A 783 2.598 -6.680 3.618 1.00 32.14 H new ATOM 0 HG3 GLU A 783 4.120 -7.187 2.914 1.00 32.14 H new ATOM 1208 N ALA A 784 2.124 -2.835 0.886 1.00 32.33 N ATOM 1209 CA ALA A 784 2.154 -1.779 -0.113 1.00 1.41 C ATOM 1210 C ALA A 784 1.699 -0.460 0.489 1.00 21.23 C ATOM 1211 O ALA A 784 2.376 0.556 0.360 1.00 72.22 O ATOM 1212 CB ALA A 784 1.286 -2.147 -1.308 1.00 40.32 C ATOM 0 H ALA A 784 1.444 -3.572 0.699 1.00 32.33 H new ATOM 0 HA ALA A 784 3.182 -1.663 -0.457 1.00 1.41 H new ATOM 0 HB1 ALA A 784 1.322 -1.344 -2.044 1.00 40.32 H new ATOM 0 HB2 ALA A 784 1.657 -3.068 -1.757 1.00 40.32 H new ATOM 0 HB3 ALA A 784 0.257 -2.292 -0.979 1.00 40.32 H new ATOM 1218 N ALA A 785 0.561 -0.486 1.170 1.00 42.25 N ATOM 1219 CA ALA A 785 0.002 0.718 1.764 1.00 13.42 C ATOM 1220 C ALA A 785 0.911 1.265 2.860 1.00 64.22 C ATOM 1221 O ALA A 785 1.100 2.476 2.976 1.00 11.24 O ATOM 1222 CB ALA A 785 -1.383 0.428 2.310 1.00 65.23 C ATOM 0 H ALA A 785 0.008 -1.329 1.324 1.00 42.25 H new ATOM 0 HA ALA A 785 -0.076 1.481 0.990 1.00 13.42 H new ATOM 0 HB1 ALA A 785 -1.796 1.334 2.754 1.00 65.23 H new ATOM 0 HB2 ALA A 785 -2.031 0.093 1.500 1.00 65.23 H new ATOM 0 HB3 ALA A 785 -1.319 -0.351 3.069 1.00 65.23 H new ATOM 1228 N ASP A 786 1.475 0.362 3.652 1.00 23.41 N ATOM 1229 CA ASP A 786 2.401 0.733 4.720 1.00 41.22 C ATOM 1230 C ASP A 786 3.616 1.439 4.137 1.00 44.23 C ATOM 1231 O ASP A 786 3.993 2.527 4.575 1.00 25.44 O ATOM 1232 CB ASP A 786 2.834 -0.516 5.495 1.00 51.14 C ATOM 1233 CG ASP A 786 3.719 -0.202 6.687 1.00 41.41 C ATOM 1234 OD1 ASP A 786 4.944 -0.050 6.501 1.00 32.53 O ATOM 1235 OD2 ASP A 786 3.196 -0.132 7.822 1.00 32.40 O ATOM 0 H ASP A 786 1.307 -0.641 3.575 1.00 23.41 H new ATOM 0 HA ASP A 786 1.897 1.414 5.405 1.00 41.22 H new ATOM 0 HB2 ASP A 786 1.947 -1.048 5.839 1.00 51.14 H new ATOM 0 HB3 ASP A 786 3.367 -1.187 4.822 1.00 51.14 H new ATOM 1240 N ALA A 787 4.210 0.822 3.120 1.00 21.24 N ATOM 1241 CA ALA A 787 5.359 1.398 2.441 1.00 4.22 C ATOM 1242 C ALA A 787 4.987 2.722 1.779 1.00 32.51 C ATOM 1243 O ALA A 787 5.760 3.679 1.814 1.00 42.42 O ATOM 1244 CB ALA A 787 5.911 0.421 1.411 1.00 72.24 C ATOM 0 H ALA A 787 3.911 -0.080 2.749 1.00 21.24 H new ATOM 0 HA ALA A 787 6.134 1.594 3.182 1.00 4.22 H new ATOM 0 HB1 ALA A 787 6.771 0.867 0.911 1.00 72.24 H new ATOM 0 HB2 ALA A 787 6.218 -0.499 1.909 1.00 72.24 H new ATOM 0 HB3 ALA A 787 5.140 0.195 0.674 1.00 72.24 H new ATOM 1250 N ALA A 788 3.791 2.769 1.196 1.00 14.12 N ATOM 1251 CA ALA A 788 3.306 3.960 0.508 1.00 44.24 C ATOM 1252 C ALA A 788 3.253 5.159 1.446 1.00 35.12 C ATOM 1253 O ALA A 788 3.727 6.241 1.101 1.00 40.22 O ATOM 1254 CB ALA A 788 1.932 3.703 -0.095 1.00 64.11 C ATOM 0 H ALA A 788 3.136 1.987 1.188 1.00 14.12 H new ATOM 0 HA ALA A 788 4.007 4.190 -0.294 1.00 44.24 H new ATOM 0 HB1 ALA A 788 1.584 4.602 -0.605 1.00 64.11 H new ATOM 0 HB2 ALA A 788 1.996 2.882 -0.809 1.00 64.11 H new ATOM 0 HB3 ALA A 788 1.230 3.441 0.697 1.00 64.11 H new ATOM 1260 N LEU A 789 2.688 4.962 2.634 1.00 55.40 N ATOM 1261 CA LEU A 789 2.582 6.037 3.608 1.00 75.20 C ATOM 1262 C LEU A 789 3.968 6.527 3.999 1.00 21.33 C ATOM 1263 O LEU A 789 4.201 7.728 4.102 1.00 64.12 O ATOM 1264 CB LEU A 789 1.807 5.580 4.847 1.00 23.00 C ATOM 1265 CG LEU A 789 0.394 5.063 4.577 1.00 54.33 C ATOM 1266 CD1 LEU A 789 -0.295 4.683 5.878 1.00 25.23 C ATOM 1267 CD2 LEU A 789 -0.419 6.103 3.825 1.00 73.44 C ATOM 0 H LEU A 789 2.299 4.071 2.942 1.00 55.40 H new ATOM 0 HA LEU A 789 2.032 6.860 3.152 1.00 75.20 H new ATOM 0 HB2 LEU A 789 2.376 4.793 5.342 1.00 23.00 H new ATOM 0 HB3 LEU A 789 1.744 6.415 5.545 1.00 23.00 H new ATOM 0 HG LEU A 789 0.468 4.170 3.956 1.00 54.33 H new ATOM 0 HD11 LEU A 789 -1.299 4.317 5.664 1.00 25.23 H new ATOM 0 HD12 LEU A 789 0.277 3.901 6.378 1.00 25.23 H new ATOM 0 HD13 LEU A 789 -0.357 5.557 6.526 1.00 25.23 H new ATOM 0 HD21 LEU A 789 -1.422 5.718 3.641 1.00 73.44 H new ATOM 0 HD22 LEU A 789 -0.483 7.014 4.420 1.00 73.44 H new ATOM 0 HD23 LEU A 789 0.064 6.324 2.873 1.00 73.44 H new ATOM 1279 N ARG A 790 4.891 5.590 4.189 1.00 31.21 N ATOM 1280 CA ARG A 790 6.272 5.923 4.495 1.00 3.31 C ATOM 1281 C ARG A 790 6.873 6.811 3.408 1.00 4.23 C ATOM 1282 O ARG A 790 7.628 7.739 3.702 1.00 34.03 O ATOM 1283 CB ARG A 790 7.084 4.646 4.629 1.00 2.14 C ATOM 1284 CG ARG A 790 6.611 3.743 5.749 1.00 51.20 C ATOM 1285 CD ARG A 790 7.270 2.387 5.650 1.00 73.23 C ATOM 1286 NE ARG A 790 7.044 1.573 6.841 1.00 11.44 N ATOM 1287 CZ ARG A 790 7.939 1.420 7.815 1.00 3.52 C ATOM 1288 NH1 ARG A 790 9.113 2.043 7.744 1.00 21.12 N ATOM 1289 NH2 ARG A 790 7.661 0.654 8.862 1.00 12.34 N ATOM 0 H ARG A 790 4.703 4.589 4.135 1.00 31.21 H new ATOM 0 HA ARG A 790 6.297 6.473 5.436 1.00 3.31 H new ATOM 0 HB2 ARG A 790 7.041 4.097 3.688 1.00 2.14 H new ATOM 0 HB3 ARG A 790 8.129 4.906 4.799 1.00 2.14 H new ATOM 0 HG2 ARG A 790 6.843 4.197 6.712 1.00 51.20 H new ATOM 0 HG3 ARG A 790 5.528 3.632 5.701 1.00 51.20 H new ATOM 0 HD2 ARG A 790 6.886 1.862 4.775 1.00 73.23 H new ATOM 0 HD3 ARG A 790 8.342 2.516 5.499 1.00 73.23 H new ATOM 0 HE ARG A 790 6.148 1.094 6.932 1.00 11.44 H new ATOM 0 HH11 ARG A 790 9.327 2.638 6.943 1.00 21.12 H new ATOM 0 HH12 ARG A 790 9.799 1.926 8.490 1.00 21.12 H new ATOM 0 HH21 ARG A 790 6.760 0.180 8.922 1.00 12.34 H new ATOM 0 HH22 ARG A 790 8.349 0.539 9.606 1.00 12.34 H new ATOM 1303 N VAL A 791 6.534 6.514 2.155 1.00 11.21 N ATOM 1304 CA VAL A 791 6.976 7.323 1.023 1.00 41.05 C ATOM 1305 C VAL A 791 6.401 8.731 1.131 1.00 1.32 C ATOM 1306 O VAL A 791 7.139 9.712 1.185 1.00 62.14 O ATOM 1307 CB VAL A 791 6.537 6.703 -0.326 1.00 30.32 C ATOM 1308 CG1 VAL A 791 7.034 7.527 -1.503 1.00 32.25 C ATOM 1309 CG2 VAL A 791 7.020 5.269 -0.448 1.00 43.14 C ATOM 0 H VAL A 791 5.953 5.716 1.898 1.00 11.21 H new ATOM 0 HA VAL A 791 8.065 7.358 1.051 1.00 41.05 H new ATOM 0 HB VAL A 791 5.447 6.706 -0.346 1.00 30.32 H new ATOM 0 HG11 VAL A 791 6.708 7.064 -2.435 1.00 32.25 H new ATOM 0 HG12 VAL A 791 6.628 8.536 -1.438 1.00 32.25 H new ATOM 0 HG13 VAL A 791 8.123 7.572 -1.482 1.00 32.25 H new ATOM 0 HG21 VAL A 791 6.698 4.857 -1.404 1.00 43.14 H new ATOM 0 HG22 VAL A 791 8.108 5.245 -0.390 1.00 43.14 H new ATOM 0 HG23 VAL A 791 6.601 4.674 0.363 1.00 43.14 H new ATOM 1319 N LEU A 792 5.074 8.804 1.198 1.00 75.41 N ATOM 1320 CA LEU A 792 4.355 10.075 1.237 1.00 45.22 C ATOM 1321 C LEU A 792 4.830 10.952 2.393 1.00 60.24 C ATOM 1322 O LEU A 792 5.102 12.140 2.217 1.00 10.33 O ATOM 1323 CB LEU A 792 2.856 9.803 1.375 1.00 0.14 C ATOM 1324 CG LEU A 792 2.294 8.796 0.373 1.00 23.52 C ATOM 1325 CD1 LEU A 792 0.840 8.487 0.683 1.00 2.01 C ATOM 1326 CD2 LEU A 792 2.446 9.312 -1.049 1.00 53.13 C ATOM 0 H LEU A 792 4.467 7.985 1.227 1.00 75.41 H new ATOM 0 HA LEU A 792 4.555 10.610 0.309 1.00 45.22 H new ATOM 0 HB2 LEU A 792 2.658 9.440 2.384 1.00 0.14 H new ATOM 0 HB3 LEU A 792 2.318 10.744 1.264 1.00 0.14 H new ATOM 0 HG LEU A 792 2.864 7.871 0.461 1.00 23.52 H new ATOM 0 HD11 LEU A 792 0.458 7.768 -0.042 1.00 2.01 H new ATOM 0 HD12 LEU A 792 0.763 8.067 1.686 1.00 2.01 H new ATOM 0 HD13 LEU A 792 0.253 9.404 0.628 1.00 2.01 H new ATOM 0 HD21 LEU A 792 2.040 8.580 -1.747 1.00 53.13 H new ATOM 0 HD22 LEU A 792 1.906 10.253 -1.154 1.00 53.13 H new ATOM 0 HD23 LEU A 792 3.502 9.474 -1.267 1.00 53.13 H new ATOM 1338 N ILE A 793 4.922 10.353 3.571 1.00 13.12 N ATOM 1339 CA ILE A 793 5.391 11.056 4.758 1.00 54.11 C ATOM 1340 C ILE A 793 6.822 11.555 4.567 1.00 52.11 C ATOM 1341 O ILE A 793 7.123 12.717 4.848 1.00 72.33 O ATOM 1342 CB ILE A 793 5.305 10.140 6.001 1.00 34.44 C ATOM 1343 CG1 ILE A 793 3.840 9.791 6.286 1.00 71.21 C ATOM 1344 CG2 ILE A 793 5.945 10.800 7.215 1.00 13.43 C ATOM 1345 CD1 ILE A 793 3.661 8.678 7.294 1.00 12.41 C ATOM 0 H ILE A 793 4.677 9.376 3.732 1.00 13.12 H new ATOM 0 HA ILE A 793 4.745 11.920 4.915 1.00 54.11 H new ATOM 0 HB ILE A 793 5.857 9.223 5.795 1.00 34.44 H new ATOM 0 HG12 ILE A 793 3.328 10.682 6.649 1.00 71.21 H new ATOM 0 HG13 ILE A 793 3.357 9.504 5.352 1.00 71.21 H new ATOM 0 HG21 ILE A 793 5.870 10.133 8.074 1.00 13.43 H new ATOM 0 HG22 ILE A 793 6.995 11.006 7.006 1.00 13.43 H new ATOM 0 HG23 ILE A 793 5.429 11.735 7.435 1.00 13.43 H new ATOM 0 HD11 ILE A 793 2.598 8.489 7.442 1.00 12.41 H new ATOM 0 HD12 ILE A 793 4.143 7.772 6.925 1.00 12.41 H new ATOM 0 HD13 ILE A 793 4.113 8.969 8.242 1.00 12.41 H new ATOM 1357 N GLY A 794 7.689 10.684 4.059 1.00 71.14 N ATOM 1358 CA GLY A 794 9.075 11.055 3.833 1.00 21.23 C ATOM 1359 C GLY A 794 9.209 12.206 2.857 1.00 64.33 C ATOM 1360 O GLY A 794 10.040 13.096 3.050 1.00 33.01 O ATOM 0 H GLY A 794 7.456 9.726 3.799 1.00 71.14 H new ATOM 0 HA2 GLY A 794 9.535 11.331 4.782 1.00 21.23 H new ATOM 0 HA3 GLY A 794 9.622 10.193 3.452 1.00 21.23 H new ATOM 1364 N GLU A 795 8.380 12.191 1.813 1.00 30.12 N ATOM 1365 CA GLU A 795 8.354 13.261 0.817 1.00 22.34 C ATOM 1366 C GLU A 795 8.197 14.624 1.486 1.00 14.23 C ATOM 1367 O GLU A 795 8.893 15.582 1.148 1.00 74.55 O ATOM 1368 CB GLU A 795 7.197 13.046 -0.164 1.00 52.53 C ATOM 1369 CG GLU A 795 7.299 11.772 -0.989 1.00 52.43 C ATOM 1370 CD GLU A 795 8.337 11.860 -2.088 1.00 44.51 C ATOM 1371 OE1 GLU A 795 8.050 12.496 -3.124 1.00 12.33 O ATOM 1372 OE2 GLU A 795 9.429 11.275 -1.938 1.00 62.34 O ATOM 0 H GLU A 795 7.712 11.441 1.635 1.00 30.12 H new ATOM 0 HA GLU A 795 9.301 13.238 0.277 1.00 22.34 H new ATOM 0 HB2 GLU A 795 6.262 13.028 0.395 1.00 52.53 H new ATOM 0 HB3 GLU A 795 7.147 13.899 -0.841 1.00 52.53 H new ATOM 0 HG2 GLU A 795 7.544 10.938 -0.331 1.00 52.43 H new ATOM 0 HG3 GLU A 795 6.327 11.553 -1.431 1.00 52.43 H new ATOM 1379 N ASN A 796 7.294 14.694 2.455 1.00 15.31 N ATOM 1380 CA ASN A 796 6.968 15.953 3.114 1.00 12.01 C ATOM 1381 C ASN A 796 7.938 16.274 4.243 1.00 13.23 C ATOM 1382 O ASN A 796 8.395 17.408 4.372 1.00 35.15 O ATOM 1383 CB ASN A 796 5.548 15.906 3.673 1.00 13.41 C ATOM 1384 CG ASN A 796 5.134 17.219 4.311 1.00 2.22 C ATOM 1385 OD1 ASN A 796 4.612 18.107 3.641 1.00 4.40 O ATOM 1386 ND2 ASN A 796 5.339 17.345 5.615 1.00 55.21 N ATOM 0 H ASN A 796 6.772 13.890 2.804 1.00 15.31 H new ATOM 0 HA ASN A 796 7.048 16.738 2.362 1.00 12.01 H new ATOM 0 HB2 ASN A 796 4.853 15.660 2.871 1.00 13.41 H new ATOM 0 HB3 ASN A 796 5.478 15.108 4.412 1.00 13.41 H new ATOM 0 HD21 ASN A 796 5.060 18.201 6.095 1.00 55.21 H new ATOM 0 HD22 ASN A 796 5.775 16.586 6.138 1.00 55.21 H new