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 775 HIS : no HE2:sc= 0.173 K(o=0.044,f=-2.9!) USER MOD Set 1.2: A 779 GLN : amide:sc= -0.129 K(o=0.044,f=-5.8!) USER MOD Single : A 722 TYR OH : rot -100:sc= 1.23 USER MOD Single : A 724 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 725 THR OG1 : rot 78:sc= 0.191 USER MOD Single : A 726 ASN : amide:sc= -0.0309 K(o=-0.031,f=-0.72) USER MOD Single : A 734 TYR OH : rot 30:sc= 0.0753 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.41) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 750 SER OG : rot 114:sc= 1.24 USER MOD Single : A 754 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-1.9) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 15:sc= -1.92! USER MOD Single : A 761 GLN : amide:sc= -4.57! C(o=-4.6!,f=-4.5!) USER MOD Single : A 763 LYS NZ :NH3+ -158:sc= 1.79 (180deg=0.926) USER MOD Single : A 773 CYS SG : rot 180:sc=-0.00414 USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0526) 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= -0.562 F(o=-2.9!,f=-0.56) USER MOD Single : A 796 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 -0.318 14.866 7.124 1.00 70.31 N ATOM 148 CA ILE A 716 0.706 13.834 7.094 1.00 20.44 C ATOM 149 C ILE A 716 0.651 12.987 8.361 1.00 32.05 C ATOM 150 O ILE A 716 0.846 11.771 8.315 1.00 72.32 O ATOM 151 CB ILE A 716 2.117 14.452 6.931 1.00 21.12 C ATOM 152 CG1 ILE A 716 2.225 15.199 5.595 1.00 13.13 C ATOM 153 CG2 ILE A 716 3.198 13.387 7.026 1.00 55.51 C ATOM 154 CD1 ILE A 716 2.025 14.316 4.381 1.00 51.45 C ATOM 0 HA ILE A 716 0.509 13.195 6.233 1.00 20.44 H new ATOM 0 HB ILE A 716 2.267 15.161 7.745 1.00 21.12 H new ATOM 0 HG12 ILE A 716 1.485 15.999 5.576 1.00 13.13 H new ATOM 0 HG13 ILE A 716 3.206 15.671 5.532 1.00 13.13 H new ATOM 0 HG21 ILE A 716 4.177 13.851 6.908 1.00 55.51 H new ATOM 0 HG22 ILE A 716 3.143 12.898 7.999 1.00 55.51 H new ATOM 0 HG23 ILE A 716 3.050 12.647 6.239 1.00 55.51 H new ATOM 0 HD11 ILE A 716 2.116 14.916 3.476 1.00 51.45 H new ATOM 0 HD12 ILE A 716 2.781 13.531 4.374 1.00 51.45 H new ATOM 0 HD13 ILE A 716 1.034 13.865 4.419 1.00 51.45 H new ATOM 166 N GLY A 717 0.347 13.635 9.484 1.00 41.05 N ATOM 167 CA GLY A 717 0.252 12.931 10.751 1.00 24.34 C ATOM 168 C GLY A 717 -0.825 11.871 10.722 1.00 40.21 C ATOM 169 O GLY A 717 -0.733 10.855 11.413 1.00 4.01 O ATOM 0 H GLY A 717 0.165 14.637 9.538 1.00 41.05 H new ATOM 0 HA2 GLY A 717 1.211 12.469 10.983 1.00 24.34 H new ATOM 0 HA3 GLY A 717 0.040 13.643 11.548 1.00 24.34 H new ATOM 173 N GLU A 718 -1.842 12.112 9.907 1.00 40.11 N ATOM 174 CA GLU A 718 -2.909 11.153 9.695 1.00 23.13 C ATOM 175 C GLU A 718 -2.343 9.851 9.140 1.00 62.24 C ATOM 176 O GLU A 718 -2.641 8.774 9.637 1.00 45.20 O ATOM 177 CB GLU A 718 -3.958 11.725 8.731 1.00 11.04 C ATOM 178 CG GLU A 718 -4.815 12.846 9.316 1.00 51.22 C ATOM 179 CD GLU A 718 -4.004 13.992 9.892 1.00 33.22 C ATOM 180 OE1 GLU A 718 -3.246 14.633 9.137 1.00 64.11 O ATOM 181 OE2 GLU A 718 -4.109 14.244 11.112 1.00 30.33 O ATOM 0 H GLU A 718 -1.948 12.977 9.377 1.00 40.11 H new ATOM 0 HA GLU A 718 -3.389 10.950 10.652 1.00 23.13 H new ATOM 0 HB2 GLU A 718 -3.450 12.100 7.843 1.00 11.04 H new ATOM 0 HB3 GLU A 718 -4.613 10.917 8.406 1.00 11.04 H new ATOM 0 HG2 GLU A 718 -5.473 13.233 8.538 1.00 51.22 H new ATOM 0 HG3 GLU A 718 -5.453 12.434 10.098 1.00 51.22 H new ATOM 188 N LEU A 719 -1.486 9.955 8.137 1.00 42.33 N ATOM 189 CA LEU A 719 -0.907 8.772 7.514 1.00 75.34 C ATOM 190 C LEU A 719 0.027 8.060 8.491 1.00 30.12 C ATOM 191 O LEU A 719 0.121 6.832 8.498 1.00 35.44 O ATOM 192 CB LEU A 719 -0.138 9.132 6.234 1.00 62.03 C ATOM 193 CG LEU A 719 -0.974 9.671 5.064 1.00 40.30 C ATOM 194 CD1 LEU A 719 -2.186 8.793 4.815 1.00 64.44 C ATOM 195 CD2 LEU A 719 -1.400 11.109 5.306 1.00 2.13 C ATOM 0 H LEU A 719 -1.176 10.841 7.737 1.00 42.33 H new ATOM 0 HA LEU A 719 -1.727 8.106 7.246 1.00 75.34 H new ATOM 0 HB2 LEU A 719 0.616 9.877 6.487 1.00 62.03 H new ATOM 0 HB3 LEU A 719 0.393 8.243 5.893 1.00 62.03 H new ATOM 0 HG LEU A 719 -0.345 9.651 4.174 1.00 40.30 H new ATOM 0 HD11 LEU A 719 -2.762 9.196 3.982 1.00 64.44 H new ATOM 0 HD12 LEU A 719 -1.859 7.781 4.575 1.00 64.44 H new ATOM 0 HD13 LEU A 719 -2.809 8.771 5.709 1.00 64.44 H new ATOM 0 HD21 LEU A 719 -1.990 11.461 4.460 1.00 2.13 H new ATOM 0 HD22 LEU A 719 -2.000 11.163 6.214 1.00 2.13 H new ATOM 0 HD23 LEU A 719 -0.516 11.737 5.418 1.00 2.13 H new ATOM 207 N VAL A 720 0.697 8.843 9.333 1.00 24.51 N ATOM 208 CA VAL A 720 1.627 8.301 10.320 1.00 44.35 C ATOM 209 C VAL A 720 0.893 7.415 11.322 1.00 51.31 C ATOM 210 O VAL A 720 1.368 6.335 11.686 1.00 30.00 O ATOM 211 CB VAL A 720 2.365 9.424 11.083 1.00 55.12 C ATOM 212 CG1 VAL A 720 3.331 8.844 12.105 1.00 32.41 C ATOM 213 CG2 VAL A 720 3.102 10.339 10.119 1.00 64.50 C ATOM 0 H VAL A 720 0.612 9.859 9.351 1.00 24.51 H new ATOM 0 HA VAL A 720 2.362 7.708 9.775 1.00 44.35 H new ATOM 0 HB VAL A 720 1.617 10.013 11.614 1.00 55.12 H new ATOM 0 HG11 VAL A 720 3.837 9.655 12.628 1.00 32.41 H new ATOM 0 HG12 VAL A 720 2.780 8.237 12.823 1.00 32.41 H new ATOM 0 HG13 VAL A 720 4.069 8.223 11.597 1.00 32.41 H new ATOM 0 HG21 VAL A 720 3.614 11.121 10.679 1.00 64.50 H new ATOM 0 HG22 VAL A 720 3.833 9.760 9.554 1.00 64.50 H new ATOM 0 HG23 VAL A 720 2.389 10.793 9.431 1.00 64.50 H new ATOM 223 N ARG A 721 -0.287 7.858 11.741 1.00 12.23 N ATOM 224 CA ARG A 721 -1.060 7.119 12.725 1.00 61.45 C ATOM 225 C ARG A 721 -1.570 5.820 12.117 1.00 73.00 C ATOM 226 O ARG A 721 -1.821 4.850 12.825 1.00 15.25 O ATOM 227 CB ARG A 721 -2.223 7.963 13.264 1.00 10.00 C ATOM 228 CG ARG A 721 -3.395 8.095 12.309 1.00 2.12 C ATOM 229 CD ARG A 721 -4.468 9.016 12.858 1.00 72.11 C ATOM 230 NE ARG A 721 -5.094 8.476 14.062 1.00 32.42 N ATOM 231 CZ ARG A 721 -5.912 9.171 14.850 1.00 52.52 C ATOM 232 NH1 ARG A 721 -6.173 10.446 14.590 1.00 71.35 N ATOM 233 NH2 ARG A 721 -6.460 8.592 15.909 1.00 61.41 N ATOM 0 H ARG A 721 -0.725 8.720 11.416 1.00 12.23 H new ATOM 0 HA ARG A 721 -0.409 6.881 13.566 1.00 61.45 H new ATOM 0 HB2 ARG A 721 -2.577 7.520 14.195 1.00 10.00 H new ATOM 0 HB3 ARG A 721 -1.852 8.959 13.505 1.00 10.00 H new ATOM 0 HG2 ARG A 721 -3.042 8.478 11.351 1.00 2.12 H new ATOM 0 HG3 ARG A 721 -3.823 7.110 12.120 1.00 2.12 H new ATOM 0 HD2 ARG A 721 -4.030 9.988 13.083 1.00 72.11 H new ATOM 0 HD3 ARG A 721 -5.230 9.179 12.096 1.00 72.11 H new ATOM 0 HE ARG A 721 -4.893 7.508 14.314 1.00 32.42 H new ATOM 0 HH11 ARG A 721 -5.746 10.900 13.782 1.00 71.35 H new ATOM 0 HH12 ARG A 721 -6.801 10.972 15.198 1.00 71.35 H new ATOM 0 HH21 ARG A 721 -6.255 7.615 16.119 1.00 61.41 H new ATOM 0 HH22 ARG A 721 -7.087 9.123 16.513 1.00 61.41 H new ATOM 247 N TYR A 722 -1.698 5.798 10.796 1.00 75.12 N ATOM 248 CA TYR A 722 -2.123 4.596 10.099 1.00 52.45 C ATOM 249 C TYR A 722 -0.995 3.588 9.996 1.00 61.53 C ATOM 250 O TYR A 722 -1.242 2.389 9.985 1.00 3.41 O ATOM 251 CB TYR A 722 -2.676 4.936 8.722 1.00 42.13 C ATOM 252 CG TYR A 722 -4.033 5.574 8.803 1.00 34.23 C ATOM 253 CD1 TYR A 722 -5.088 4.907 9.408 1.00 22.02 C ATOM 254 CD2 TYR A 722 -4.260 6.838 8.291 1.00 41.22 C ATOM 255 CE1 TYR A 722 -6.333 5.484 9.500 1.00 14.15 C ATOM 256 CE2 TYR A 722 -5.505 7.423 8.376 1.00 12.04 C ATOM 257 CZ TYR A 722 -6.539 6.739 8.983 1.00 53.11 C ATOM 258 OH TYR A 722 -7.783 7.316 9.079 1.00 20.15 O ATOM 0 H TYR A 722 -1.514 6.597 10.190 1.00 75.12 H new ATOM 0 HA TYR A 722 -2.921 4.138 10.683 1.00 52.45 H new ATOM 0 HB2 TYR A 722 -1.988 5.610 8.211 1.00 42.13 H new ATOM 0 HB3 TYR A 722 -2.737 4.028 8.122 1.00 42.13 H new ATOM 0 HD1 TYR A 722 -4.929 3.919 9.813 1.00 22.02 H new ATOM 0 HD2 TYR A 722 -3.451 7.374 7.818 1.00 41.22 H new ATOM 0 HE1 TYR A 722 -7.144 4.953 9.976 1.00 14.15 H new ATOM 0 HE2 TYR A 722 -5.671 8.410 7.970 1.00 12.04 H new ATOM 0 HH TYR A 722 -8.255 7.219 8.226 1.00 20.15 H new ATOM 268 N LEU A 723 0.240 4.067 9.938 1.00 20.05 N ATOM 269 CA LEU A 723 1.392 3.178 10.010 1.00 62.44 C ATOM 270 C LEU A 723 1.356 2.406 11.321 1.00 73.31 C ATOM 271 O LEU A 723 1.779 1.253 11.394 1.00 74.24 O ATOM 272 CB LEU A 723 2.701 3.963 9.906 1.00 43.05 C ATOM 273 CG LEU A 723 2.975 4.593 8.540 1.00 22.34 C ATOM 274 CD1 LEU A 723 4.265 5.394 8.577 1.00 31.24 C ATOM 275 CD2 LEU A 723 3.048 3.517 7.467 1.00 20.43 C ATOM 0 H LEU A 723 0.469 5.056 9.842 1.00 20.05 H new ATOM 0 HA LEU A 723 1.345 2.484 9.171 1.00 62.44 H new ATOM 0 HB2 LEU A 723 2.693 4.752 10.658 1.00 43.05 H new ATOM 0 HB3 LEU A 723 3.527 3.296 10.153 1.00 43.05 H new ATOM 0 HG LEU A 723 2.155 5.269 8.297 1.00 22.34 H new ATOM 0 HD11 LEU A 723 4.447 5.836 7.598 1.00 31.24 H new ATOM 0 HD12 LEU A 723 4.181 6.185 9.322 1.00 31.24 H new ATOM 0 HD13 LEU A 723 5.094 4.736 8.838 1.00 31.24 H new ATOM 0 HD21 LEU A 723 3.244 3.980 6.500 1.00 20.43 H new ATOM 0 HD22 LEU A 723 3.852 2.820 7.705 1.00 20.43 H new ATOM 0 HD23 LEU A 723 2.101 2.979 7.427 1.00 20.43 H new ATOM 287 N ASN A 724 0.830 3.058 12.347 1.00 43.32 N ATOM 288 CA ASN A 724 0.676 2.437 13.653 1.00 41.13 C ATOM 289 C ASN A 724 -0.602 1.597 13.713 1.00 1.22 C ATOM 290 O ASN A 724 -0.606 0.499 14.266 1.00 0.42 O ATOM 291 CB ASN A 724 0.658 3.513 14.743 1.00 45.23 C ATOM 292 CG ASN A 724 0.578 2.939 16.144 1.00 53.22 C ATOM 293 OD1 ASN A 724 -0.509 2.787 16.709 1.00 60.24 O ATOM 294 ND2 ASN A 724 1.726 2.616 16.715 1.00 21.24 N ATOM 0 H ASN A 724 0.501 4.022 12.299 1.00 43.32 H new ATOM 0 HA ASN A 724 1.524 1.773 13.821 1.00 41.13 H new ATOM 0 HB2 ASN A 724 1.557 4.123 14.658 1.00 45.23 H new ATOM 0 HB3 ASN A 724 -0.193 4.174 14.579 1.00 45.23 H new ATOM 0 HD21 ASN A 724 1.735 2.225 17.657 1.00 21.24 H new ATOM 0 HD22 ASN A 724 2.603 2.758 16.213 1.00 21.24 H new ATOM 301 N THR A 725 -1.682 2.114 13.138 1.00 70.15 N ATOM 302 CA THR A 725 -2.974 1.440 13.190 1.00 24.42 C ATOM 303 C THR A 725 -3.245 0.601 11.933 1.00 4.24 C ATOM 304 O THR A 725 -3.079 -0.620 11.949 1.00 72.54 O ATOM 305 CB THR A 725 -4.115 2.459 13.383 1.00 34.11 C ATOM 306 OG1 THR A 725 -3.832 3.291 14.514 1.00 52.40 O ATOM 307 CG2 THR A 725 -5.447 1.752 13.592 1.00 51.41 C ATOM 0 H THR A 725 -1.688 2.998 12.630 1.00 70.15 H new ATOM 0 HA THR A 725 -2.938 0.764 14.045 1.00 24.42 H new ATOM 0 HB THR A 725 -4.185 3.070 12.483 1.00 34.11 H new ATOM 0 HG1 THR A 725 -3.168 3.967 14.265 1.00 52.40 H new ATOM 0 HG21 THR A 725 -6.235 2.493 13.726 1.00 51.41 H new ATOM 0 HG22 THR A 725 -5.672 1.136 12.722 1.00 51.41 H new ATOM 0 HG23 THR A 725 -5.389 1.121 14.479 1.00 51.41 H new ATOM 315 N ASN A 726 -3.642 1.258 10.845 1.00 35.13 N ATOM 316 CA ASN A 726 -4.068 0.555 9.637 1.00 53.21 C ATOM 317 C ASN A 726 -3.596 1.285 8.382 1.00 11.12 C ATOM 318 O ASN A 726 -4.196 2.280 7.966 1.00 22.35 O ATOM 319 CB ASN A 726 -5.592 0.414 9.609 1.00 43.32 C ATOM 320 CG ASN A 726 -6.085 -0.274 8.351 1.00 21.34 C ATOM 321 OD1 ASN A 726 -5.391 -1.112 7.774 1.00 75.12 O ATOM 322 ND2 ASN A 726 -7.280 0.082 7.905 1.00 73.43 N ATOM 0 H ASN A 726 -3.678 2.275 10.775 1.00 35.13 H new ATOM 0 HA ASN A 726 -3.616 -0.437 9.653 1.00 53.21 H new ATOM 0 HB2 ASN A 726 -5.918 -0.152 10.481 1.00 43.32 H new ATOM 0 HB3 ASN A 726 -6.047 1.402 9.682 1.00 43.32 H new ATOM 0 HD21 ASN A 726 -7.655 -0.342 7.056 1.00 73.43 H new ATOM 0 HD22 ASN A 726 -7.826 0.780 8.410 1.00 73.43 H new ATOM 329 N PRO A 727 -2.512 0.796 7.765 1.00 11.04 N ATOM 330 CA PRO A 727 -1.905 1.432 6.590 1.00 12.14 C ATOM 331 C PRO A 727 -2.849 1.488 5.393 1.00 55.40 C ATOM 332 O PRO A 727 -2.883 2.482 4.666 1.00 44.45 O ATOM 333 CB PRO A 727 -0.700 0.540 6.271 1.00 23.43 C ATOM 334 CG PRO A 727 -0.969 -0.753 6.959 1.00 14.22 C ATOM 335 CD PRO A 727 -1.783 -0.416 8.173 1.00 53.51 C ATOM 0 HA PRO A 727 -1.644 2.470 6.794 1.00 12.14 H new ATOM 0 HB2 PRO A 727 -0.591 0.397 5.196 1.00 23.43 H new ATOM 0 HB3 PRO A 727 0.227 0.989 6.628 1.00 23.43 H new ATOM 0 HG2 PRO A 727 -1.509 -1.438 6.305 1.00 14.22 H new ATOM 0 HG3 PRO A 727 -0.038 -1.247 7.238 1.00 14.22 H new ATOM 0 HD2 PRO A 727 -2.464 -1.225 8.438 1.00 53.51 H new ATOM 0 HD3 PRO A 727 -1.152 -0.232 9.043 1.00 53.51 H new ATOM 343 N VAL A 728 -3.624 0.424 5.207 1.00 33.34 N ATOM 344 CA VAL A 728 -4.496 0.302 4.044 1.00 41.11 C ATOM 345 C VAL A 728 -5.530 1.423 4.018 1.00 43.41 C ATOM 346 O VAL A 728 -5.703 2.094 2.999 1.00 75.14 O ATOM 347 CB VAL A 728 -5.214 -1.064 4.017 1.00 75.51 C ATOM 348 CG1 VAL A 728 -6.036 -1.221 2.745 1.00 25.01 C ATOM 349 CG2 VAL A 728 -4.206 -2.196 4.149 1.00 54.23 C ATOM 0 H VAL A 728 -3.666 -0.368 5.849 1.00 33.34 H new ATOM 0 HA VAL A 728 -3.864 0.379 3.160 1.00 41.11 H new ATOM 0 HB VAL A 728 -5.896 -1.108 4.866 1.00 75.51 H new ATOM 0 HG11 VAL A 728 -6.532 -2.192 2.750 1.00 25.01 H new ATOM 0 HG12 VAL A 728 -6.785 -0.431 2.696 1.00 25.01 H new ATOM 0 HG13 VAL A 728 -5.380 -1.153 1.877 1.00 25.01 H new ATOM 0 HG21 VAL A 728 -4.728 -3.153 4.128 1.00 54.23 H new ATOM 0 HG22 VAL A 728 -3.498 -2.151 3.321 1.00 54.23 H new ATOM 0 HG23 VAL A 728 -3.669 -2.096 5.092 1.00 54.23 H new ATOM 359 N GLY A 729 -6.187 1.638 5.153 1.00 10.11 N ATOM 360 CA GLY A 729 -7.211 2.662 5.235 1.00 32.52 C ATOM 361 C GLY A 729 -6.656 4.045 4.973 1.00 54.13 C ATOM 362 O GLY A 729 -7.298 4.866 4.314 1.00 25.12 O ATOM 0 H GLY A 729 -6.028 1.121 6.018 1.00 10.11 H new ATOM 0 HA2 GLY A 729 -7.998 2.445 4.513 1.00 32.52 H new ATOM 0 HA3 GLY A 729 -7.669 2.637 6.224 1.00 32.52 H new ATOM 366 N GLY A 730 -5.451 4.294 5.474 1.00 31.43 N ATOM 367 CA GLY A 730 -4.822 5.587 5.291 1.00 72.35 C ATOM 368 C GLY A 730 -4.469 5.862 3.846 1.00 14.11 C ATOM 369 O GLY A 730 -4.689 6.965 3.349 1.00 32.31 O ATOM 0 H GLY A 730 -4.898 3.621 6.005 1.00 31.43 H new ATOM 0 HA2 GLY A 730 -5.492 6.367 5.653 1.00 72.35 H new ATOM 0 HA3 GLY A 730 -3.918 5.636 5.898 1.00 72.35 H new ATOM 373 N LEU A 731 -3.934 4.857 3.167 1.00 4.40 N ATOM 374 CA LEU A 731 -3.562 4.997 1.765 1.00 14.03 C ATOM 375 C LEU A 731 -4.807 5.291 0.925 1.00 64.40 C ATOM 376 O LEU A 731 -4.780 6.133 0.025 1.00 52.44 O ATOM 377 CB LEU A 731 -2.849 3.716 1.285 1.00 21.20 C ATOM 378 CG LEU A 731 -2.140 3.790 -0.079 1.00 42.44 C ATOM 379 CD1 LEU A 731 -3.124 3.626 -1.228 1.00 71.22 C ATOM 380 CD2 LEU A 731 -1.380 5.101 -0.220 1.00 30.30 C ATOM 0 H LEU A 731 -3.748 3.936 3.563 1.00 4.40 H new ATOM 0 HA LEU A 731 -2.872 5.833 1.649 1.00 14.03 H new ATOM 0 HB2 LEU A 731 -2.112 3.435 2.037 1.00 21.20 H new ATOM 0 HB3 LEU A 731 -3.584 2.912 1.243 1.00 21.20 H new ATOM 0 HG LEU A 731 -1.429 2.965 -0.124 1.00 42.44 H new ATOM 0 HD11 LEU A 731 -2.589 3.683 -2.176 1.00 71.22 H new ATOM 0 HD12 LEU A 731 -3.618 2.658 -1.148 1.00 71.22 H new ATOM 0 HD13 LEU A 731 -3.870 4.419 -1.184 1.00 71.22 H new ATOM 0 HD21 LEU A 731 -0.886 5.133 -1.191 1.00 30.30 H new ATOM 0 HD22 LEU A 731 -2.076 5.936 -0.140 1.00 30.30 H new ATOM 0 HD23 LEU A 731 -0.632 5.175 0.570 1.00 30.30 H new ATOM 392 N LEU A 732 -5.900 4.615 1.252 1.00 72.53 N ATOM 393 CA LEU A 732 -7.159 4.791 0.536 1.00 52.52 C ATOM 394 C LEU A 732 -7.711 6.204 0.718 1.00 22.01 C ATOM 395 O LEU A 732 -8.173 6.830 -0.241 1.00 41.13 O ATOM 396 CB LEU A 732 -8.187 3.761 1.017 1.00 54.22 C ATOM 397 CG LEU A 732 -7.827 2.302 0.735 1.00 44.12 C ATOM 398 CD1 LEU A 732 -8.800 1.368 1.432 1.00 2.12 C ATOM 399 CD2 LEU A 732 -7.820 2.032 -0.762 1.00 12.21 C ATOM 0 H LEU A 732 -5.941 3.936 2.012 1.00 72.53 H new ATOM 0 HA LEU A 732 -6.965 4.639 -0.526 1.00 52.52 H new ATOM 0 HB2 LEU A 732 -8.325 3.883 2.091 1.00 54.22 H new ATOM 0 HB3 LEU A 732 -9.145 3.980 0.545 1.00 54.22 H new ATOM 0 HG LEU A 732 -6.827 2.117 1.126 1.00 44.12 H new ATOM 0 HD11 LEU A 732 -8.528 0.334 1.220 1.00 2.12 H new ATOM 0 HD12 LEU A 732 -8.762 1.540 2.508 1.00 2.12 H new ATOM 0 HD13 LEU A 732 -9.810 1.559 1.070 1.00 2.12 H new ATOM 0 HD21 LEU A 732 -7.562 0.989 -0.942 1.00 12.21 H new ATOM 0 HD22 LEU A 732 -8.808 2.237 -1.173 1.00 12.21 H new ATOM 0 HD23 LEU A 732 -7.085 2.676 -1.244 1.00 12.21 H new ATOM 411 N GLU A 733 -7.653 6.716 1.940 1.00 2.52 N ATOM 412 CA GLU A 733 -8.230 8.021 2.233 1.00 2.10 C ATOM 413 C GLU A 733 -7.302 9.154 1.802 1.00 1.42 C ATOM 414 O GLU A 733 -7.762 10.263 1.526 1.00 5.11 O ATOM 415 CB GLU A 733 -8.577 8.148 3.713 1.00 4.41 C ATOM 416 CG GLU A 733 -7.385 8.156 4.641 1.00 31.24 C ATOM 417 CD GLU A 733 -7.816 8.309 6.072 1.00 74.45 C ATOM 418 OE1 GLU A 733 -8.452 7.378 6.601 1.00 61.02 O ATOM 419 OE2 GLU A 733 -7.553 9.370 6.669 1.00 32.41 O ATOM 0 H GLU A 733 -7.217 6.253 2.737 1.00 2.52 H new ATOM 0 HA GLU A 733 -9.151 8.105 1.656 1.00 2.10 H new ATOM 0 HB2 GLU A 733 -9.143 9.068 3.862 1.00 4.41 H new ATOM 0 HB3 GLU A 733 -9.232 7.322 3.991 1.00 4.41 H new ATOM 0 HG2 GLU A 733 -6.823 7.230 4.524 1.00 31.24 H new ATOM 0 HG3 GLU A 733 -6.715 8.972 4.370 1.00 31.24 H new ATOM 426 N TYR A 734 -6.004 8.879 1.751 1.00 34.32 N ATOM 427 CA TYR A 734 -5.045 9.843 1.226 1.00 2.41 C ATOM 428 C TYR A 734 -5.428 10.231 -0.198 1.00 2.11 C ATOM 429 O TYR A 734 -5.422 11.411 -0.560 1.00 4.52 O ATOM 430 CB TYR A 734 -3.622 9.261 1.253 1.00 51.44 C ATOM 431 CG TYR A 734 -2.698 9.855 0.210 1.00 32.33 C ATOM 432 CD1 TYR A 734 -1.987 11.029 0.445 1.00 12.04 C ATOM 433 CD2 TYR A 734 -2.549 9.238 -1.026 1.00 63.03 C ATOM 434 CE1 TYR A 734 -1.157 11.562 -0.523 1.00 71.03 C ATOM 435 CE2 TYR A 734 -1.726 9.769 -1.995 1.00 43.11 C ATOM 436 CZ TYR A 734 -1.033 10.927 -1.740 1.00 21.21 C ATOM 437 OH TYR A 734 -0.220 11.456 -2.712 1.00 53.54 O ATOM 0 H TYR A 734 -5.593 8.000 2.065 1.00 34.32 H new ATOM 0 HA TYR A 734 -5.063 10.732 1.856 1.00 2.41 H new ATOM 0 HB2 TYR A 734 -3.192 9.424 2.241 1.00 51.44 H new ATOM 0 HB3 TYR A 734 -3.678 8.183 1.104 1.00 51.44 H new ATOM 0 HD1 TYR A 734 -2.086 11.530 1.397 1.00 12.04 H new ATOM 0 HD2 TYR A 734 -3.088 8.325 -1.231 1.00 63.03 H new ATOM 0 HE1 TYR A 734 -0.608 12.471 -0.327 1.00 71.03 H new ATOM 0 HE2 TYR A 734 -1.626 9.277 -2.951 1.00 43.11 H new ATOM 0 HH TYR A 734 0.520 11.942 -2.291 1.00 53.54 H new ATOM 447 N ALA A 735 -5.782 9.229 -0.989 1.00 11.44 N ATOM 448 CA ALA A 735 -6.128 9.445 -2.381 1.00 44.51 C ATOM 449 C ALA A 735 -7.416 10.247 -2.496 1.00 63.35 C ATOM 450 O ALA A 735 -7.475 11.234 -3.224 1.00 21.42 O ATOM 451 CB ALA A 735 -6.253 8.116 -3.104 1.00 63.22 C ATOM 0 H ALA A 735 -5.836 8.256 -0.687 1.00 11.44 H new ATOM 0 HA ALA A 735 -5.331 10.020 -2.852 1.00 44.51 H new ATOM 0 HB1 ALA A 735 -6.513 8.293 -4.148 1.00 63.22 H new ATOM 0 HB2 ALA A 735 -5.304 7.583 -3.052 1.00 63.22 H new ATOM 0 HB3 ALA A 735 -7.032 7.517 -2.632 1.00 63.22 H new ATOM 457 N ARG A 736 -8.430 9.841 -1.739 1.00 64.01 N ATOM 458 CA ARG A 736 -9.743 10.481 -1.805 1.00 12.42 C ATOM 459 C ARG A 736 -9.663 11.939 -1.364 1.00 13.33 C ATOM 460 O ARG A 736 -10.398 12.794 -1.857 1.00 74.31 O ATOM 461 CB ARG A 736 -10.749 9.714 -0.938 1.00 11.11 C ATOM 462 CG ARG A 736 -10.658 10.010 0.551 1.00 35.32 C ATOM 463 CD ARG A 736 -11.668 9.198 1.344 1.00 60.32 C ATOM 464 NE ARG A 736 -11.597 9.481 2.778 1.00 41.21 N ATOM 465 CZ ARG A 736 -12.325 8.850 3.702 1.00 31.13 C ATOM 466 NH1 ARG A 736 -13.186 7.902 3.344 1.00 64.31 N ATOM 467 NH2 ARG A 736 -12.185 9.170 4.984 1.00 23.22 N ATOM 0 H ARG A 736 -8.370 9.072 -1.072 1.00 64.01 H new ATOM 0 HA ARG A 736 -10.082 10.460 -2.841 1.00 12.42 H new ATOM 0 HB2 ARG A 736 -11.757 9.949 -1.281 1.00 11.11 H new ATOM 0 HB3 ARG A 736 -10.601 8.645 -1.092 1.00 11.11 H new ATOM 0 HG2 ARG A 736 -9.652 9.788 0.906 1.00 35.32 H new ATOM 0 HG3 ARG A 736 -10.829 11.073 0.723 1.00 35.32 H new ATOM 0 HD2 ARG A 736 -12.673 9.416 0.981 1.00 60.32 H new ATOM 0 HD3 ARG A 736 -11.491 8.136 1.175 1.00 60.32 H new ATOM 0 HE ARG A 736 -10.951 10.206 3.091 1.00 41.21 H new ATOM 0 HH11 ARG A 736 -13.292 7.655 2.360 1.00 64.31 H new ATOM 0 HH12 ARG A 736 -13.740 7.422 4.053 1.00 64.31 H new ATOM 0 HH21 ARG A 736 -11.523 9.896 5.259 1.00 23.22 H new ATOM 0 HH22 ARG A 736 -12.740 8.690 5.693 1.00 23.22 H new ATOM 481 N SER A 737 -8.753 12.212 -0.445 1.00 14.40 N ATOM 482 CA SER A 737 -8.573 13.554 0.083 1.00 53.21 C ATOM 483 C SER A 737 -7.845 14.446 -0.924 1.00 74.23 C ATOM 484 O SER A 737 -8.116 15.644 -1.016 1.00 1.41 O ATOM 485 CB SER A 737 -7.792 13.491 1.401 1.00 24.11 C ATOM 486 OG SER A 737 -7.830 14.731 2.084 1.00 15.14 O ATOM 0 H SER A 737 -8.123 11.516 -0.046 1.00 14.40 H new ATOM 0 HA SER A 737 -9.555 13.989 0.268 1.00 53.21 H new ATOM 0 HB2 SER A 737 -8.211 12.711 2.037 1.00 24.11 H new ATOM 0 HB3 SER A 737 -6.757 13.217 1.199 1.00 24.11 H new ATOM 0 HG SER A 737 -7.325 14.659 2.921 1.00 15.14 H new ATOM 492 N HIS A 738 -6.934 13.855 -1.693 1.00 64.05 N ATOM 493 CA HIS A 738 -6.080 14.626 -2.597 1.00 65.03 C ATOM 494 C HIS A 738 -6.617 14.645 -4.027 1.00 23.13 C ATOM 495 O HIS A 738 -6.162 15.433 -4.857 1.00 73.54 O ATOM 496 CB HIS A 738 -4.651 14.075 -2.585 1.00 62.25 C ATOM 497 CG HIS A 738 -3.886 14.403 -1.335 1.00 60.31 C ATOM 498 ND1 HIS A 738 -2.510 14.440 -1.280 1.00 4.25 N ATOM 499 CD2 HIS A 738 -4.310 14.695 -0.082 1.00 71.34 C ATOM 500 CE1 HIS A 738 -2.126 14.729 -0.052 1.00 73.12 C ATOM 501 NE2 HIS A 738 -3.198 14.894 0.696 1.00 30.33 N ATOM 0 H HIS A 738 -6.767 12.849 -1.710 1.00 64.05 H new ATOM 0 HA HIS A 738 -6.077 15.653 -2.232 1.00 65.03 H new ATOM 0 HB2 HIS A 738 -4.688 12.992 -2.704 1.00 62.25 H new ATOM 0 HB3 HIS A 738 -4.111 14.472 -3.445 1.00 62.25 H new ATOM 0 HD2 HIS A 738 -5.337 14.759 0.245 1.00 71.34 H new ATOM 0 HE1 HIS A 738 -1.103 14.816 0.284 1.00 73.12 H new ATOM 0 HE2 HIS A 738 -3.201 15.130 1.688 1.00 30.33 H new ATOM 510 N GLY A 739 -7.576 13.779 -4.317 1.00 42.42 N ATOM 511 CA GLY A 739 -8.167 13.753 -5.642 1.00 20.34 C ATOM 512 C GLY A 739 -7.612 12.638 -6.506 1.00 30.24 C ATOM 513 O GLY A 739 -7.803 12.631 -7.721 1.00 14.33 O ATOM 0 H GLY A 739 -7.956 13.095 -3.662 1.00 42.42 H new ATOM 0 HA2 GLY A 739 -9.247 13.635 -5.552 1.00 20.34 H new ATOM 0 HA3 GLY A 739 -7.991 14.710 -6.133 1.00 20.34 H new ATOM 517 N PHE A 740 -6.911 11.703 -5.883 1.00 53.13 N ATOM 518 CA PHE A 740 -6.387 10.543 -6.589 1.00 13.11 C ATOM 519 C PHE A 740 -7.304 9.341 -6.385 1.00 60.34 C ATOM 520 O PHE A 740 -8.378 9.455 -5.792 1.00 21.30 O ATOM 521 CB PHE A 740 -4.983 10.192 -6.095 1.00 41.42 C ATOM 522 CG PHE A 740 -3.949 11.246 -6.373 1.00 21.10 C ATOM 523 CD1 PHE A 740 -3.377 11.356 -7.628 1.00 35.53 C ATOM 524 CD2 PHE A 740 -3.550 12.121 -5.378 1.00 53.30 C ATOM 525 CE1 PHE A 740 -2.424 12.320 -7.888 1.00 41.20 C ATOM 526 CE2 PHE A 740 -2.595 13.087 -5.630 1.00 35.55 C ATOM 527 CZ PHE A 740 -2.032 13.188 -6.888 1.00 20.31 C ATOM 0 H PHE A 740 -6.691 11.725 -4.887 1.00 53.13 H new ATOM 0 HA PHE A 740 -6.339 10.791 -7.649 1.00 13.11 H new ATOM 0 HB2 PHE A 740 -5.023 10.013 -5.021 1.00 41.42 H new ATOM 0 HB3 PHE A 740 -4.669 9.259 -6.562 1.00 41.42 H new ATOM 0 HD1 PHE A 740 -3.680 10.680 -8.414 1.00 35.53 H new ATOM 0 HD2 PHE A 740 -3.990 12.048 -4.394 1.00 53.30 H new ATOM 0 HE1 PHE A 740 -1.986 12.395 -8.872 1.00 41.20 H new ATOM 0 HE2 PHE A 740 -2.289 13.762 -4.845 1.00 35.55 H new ATOM 0 HZ PHE A 740 -1.287 13.944 -7.089 1.00 20.31 H new ATOM 537 N ALA A 741 -6.869 8.195 -6.880 1.00 71.41 N ATOM 538 CA ALA A 741 -7.567 6.942 -6.652 1.00 60.24 C ATOM 539 C ALA A 741 -6.586 5.911 -6.117 1.00 11.50 C ATOM 540 O ALA A 741 -5.446 5.851 -6.571 1.00 41.21 O ATOM 541 CB ALA A 741 -8.223 6.451 -7.934 1.00 14.32 C ATOM 0 H ALA A 741 -6.027 8.107 -7.448 1.00 71.41 H new ATOM 0 HA ALA A 741 -8.356 7.099 -5.916 1.00 60.24 H new ATOM 0 HB1 ALA A 741 -8.740 5.511 -7.741 1.00 14.32 H new ATOM 0 HB2 ALA A 741 -8.939 7.194 -8.284 1.00 14.32 H new ATOM 0 HB3 ALA A 741 -7.460 6.295 -8.697 1.00 14.32 H new ATOM 547 N ALA A 742 -7.016 5.119 -5.152 1.00 74.01 N ATOM 548 CA ALA A 742 -6.137 4.148 -4.520 1.00 65.25 C ATOM 549 C ALA A 742 -6.531 2.731 -4.902 1.00 21.32 C ATOM 550 O ALA A 742 -7.628 2.271 -4.575 1.00 33.50 O ATOM 551 CB ALA A 742 -6.162 4.324 -3.011 1.00 3.50 C ATOM 0 H ALA A 742 -7.969 5.128 -4.788 1.00 74.01 H new ATOM 0 HA ALA A 742 -5.121 4.320 -4.875 1.00 65.25 H new ATOM 0 HB1 ALA A 742 -5.500 3.592 -2.548 1.00 3.50 H new ATOM 0 HB2 ALA A 742 -5.826 5.329 -2.756 1.00 3.50 H new ATOM 0 HB3 ALA A 742 -7.178 4.178 -2.644 1.00 3.50 H new ATOM 557 N GLU A 743 -5.643 2.045 -5.603 1.00 31.33 N ATOM 558 CA GLU A 743 -5.910 0.687 -6.052 1.00 41.31 C ATOM 559 C GLU A 743 -4.797 -0.259 -5.620 1.00 32.12 C ATOM 560 O GLU A 743 -3.632 0.128 -5.556 1.00 62.44 O ATOM 561 CB GLU A 743 -6.047 0.643 -7.573 1.00 2.54 C ATOM 562 CG GLU A 743 -7.180 1.496 -8.117 1.00 72.24 C ATOM 563 CD GLU A 743 -7.304 1.379 -9.619 1.00 42.53 C ATOM 564 OE1 GLU A 743 -7.835 0.354 -10.093 1.00 70.22 O ATOM 565 OE2 GLU A 743 -6.849 2.303 -10.334 1.00 31.23 O ATOM 0 H GLU A 743 -4.729 2.407 -5.874 1.00 31.33 H new ATOM 0 HA GLU A 743 -6.846 0.365 -5.594 1.00 41.31 H new ATOM 0 HB2 GLU A 743 -5.110 0.973 -8.021 1.00 2.54 H new ATOM 0 HB3 GLU A 743 -6.202 -0.390 -7.884 1.00 2.54 H new ATOM 0 HG2 GLU A 743 -8.118 1.194 -7.651 1.00 72.24 H new ATOM 0 HG3 GLU A 743 -7.011 2.538 -7.847 1.00 72.24 H new ATOM 572 N PHE A 744 -5.166 -1.497 -5.332 1.00 55.44 N ATOM 573 CA PHE A 744 -4.203 -2.531 -4.983 1.00 13.04 C ATOM 574 C PHE A 744 -4.355 -3.704 -5.937 1.00 71.04 C ATOM 575 O PHE A 744 -5.306 -4.481 -5.831 1.00 0.05 O ATOM 576 CB PHE A 744 -4.407 -3.009 -3.542 1.00 64.01 C ATOM 577 CG PHE A 744 -4.127 -1.966 -2.500 1.00 54.03 C ATOM 578 CD1 PHE A 744 -2.842 -1.783 -2.016 1.00 2.31 C ATOM 579 CD2 PHE A 744 -5.148 -1.179 -1.996 1.00 34.42 C ATOM 580 CE1 PHE A 744 -2.581 -0.833 -1.049 1.00 11.51 C ATOM 581 CE2 PHE A 744 -4.893 -0.225 -1.029 1.00 44.42 C ATOM 582 CZ PHE A 744 -3.609 -0.052 -0.555 1.00 42.42 C ATOM 0 H PHE A 744 -6.136 -1.813 -5.333 1.00 55.44 H new ATOM 0 HA PHE A 744 -3.200 -2.112 -5.065 1.00 13.04 H new ATOM 0 HB2 PHE A 744 -5.435 -3.353 -3.428 1.00 64.01 H new ATOM 0 HB3 PHE A 744 -3.761 -3.868 -3.362 1.00 64.01 H new ATOM 0 HD1 PHE A 744 -2.035 -2.390 -2.399 1.00 2.31 H new ATOM 0 HD2 PHE A 744 -6.155 -1.312 -2.362 1.00 34.42 H new ATOM 0 HE1 PHE A 744 -1.575 -0.700 -0.679 1.00 11.51 H new ATOM 0 HE2 PHE A 744 -5.698 0.384 -0.645 1.00 44.42 H new ATOM 0 HZ PHE A 744 -3.407 0.693 0.201 1.00 42.42 H new ATOM 592 N LYS A 745 -3.435 -3.829 -6.877 1.00 44.11 N ATOM 593 CA LYS A 745 -3.540 -4.870 -7.885 1.00 44.44 C ATOM 594 C LYS A 745 -2.352 -5.817 -7.827 1.00 5.32 C ATOM 595 O LYS A 745 -1.282 -5.468 -7.317 1.00 4.34 O ATOM 596 CB LYS A 745 -3.639 -4.263 -9.286 1.00 24.55 C ATOM 597 CG LYS A 745 -2.425 -3.442 -9.686 1.00 2.02 C ATOM 598 CD LYS A 745 -2.015 -3.730 -11.121 1.00 3.41 C ATOM 599 CE LYS A 745 -3.130 -3.417 -12.105 1.00 2.44 C ATOM 600 NZ LYS A 745 -2.772 -3.818 -13.490 1.00 1.32 N ATOM 0 H LYS A 745 -2.614 -3.229 -6.964 1.00 44.11 H new ATOM 0 HA LYS A 745 -4.448 -5.434 -7.674 1.00 44.44 H new ATOM 0 HB2 LYS A 745 -3.778 -5.065 -10.010 1.00 24.55 H new ATOM 0 HB3 LYS A 745 -4.526 -3.631 -9.336 1.00 24.55 H new ATOM 0 HG2 LYS A 745 -2.648 -2.381 -9.575 1.00 2.02 H new ATOM 0 HG3 LYS A 745 -1.595 -3.665 -9.016 1.00 2.02 H new ATOM 0 HD2 LYS A 745 -1.134 -3.140 -11.372 1.00 3.41 H new ATOM 0 HD3 LYS A 745 -1.733 -4.779 -11.214 1.00 3.41 H new ATOM 0 HE2 LYS A 745 -4.040 -3.935 -11.800 1.00 2.44 H new ATOM 0 HE3 LYS A 745 -3.347 -2.349 -12.080 1.00 2.44 H new ATOM 0 HZ1 LYS A 745 -3.557 -3.588 -14.132 1.00 1.32 H new ATOM 0 HZ2 LYS A 745 -1.918 -3.305 -13.790 1.00 1.32 H new ATOM 0 HZ3 LYS A 745 -2.589 -4.841 -13.519 1.00 1.32 H new ATOM 614 N LEU A 746 -2.551 -7.012 -8.353 1.00 52.32 N ATOM 615 CA LEU A 746 -1.488 -7.993 -8.461 1.00 63.45 C ATOM 616 C LEU A 746 -0.703 -7.762 -9.745 1.00 51.03 C ATOM 617 O LEU A 746 -1.271 -7.754 -10.838 1.00 54.24 O ATOM 618 CB LEU A 746 -2.069 -9.409 -8.454 1.00 4.22 C ATOM 619 CG LEU A 746 -1.038 -10.530 -8.590 1.00 20.21 C ATOM 620 CD1 LEU A 746 -0.138 -10.575 -7.371 1.00 24.05 C ATOM 621 CD2 LEU A 746 -1.729 -11.870 -8.799 1.00 63.23 C ATOM 0 H LEU A 746 -3.450 -7.328 -8.716 1.00 52.32 H new ATOM 0 HA LEU A 746 -0.820 -7.884 -7.606 1.00 63.45 H new ATOM 0 HB2 LEU A 746 -2.622 -9.554 -7.526 1.00 4.22 H new ATOM 0 HB3 LEU A 746 -2.787 -9.495 -9.269 1.00 4.22 H new ATOM 0 HG LEU A 746 -0.420 -10.325 -9.464 1.00 20.21 H new ATOM 0 HD11 LEU A 746 0.589 -11.379 -7.485 1.00 24.05 H new ATOM 0 HD12 LEU A 746 0.385 -9.624 -7.269 1.00 24.05 H new ATOM 0 HD13 LEU A 746 -0.740 -10.755 -6.480 1.00 24.05 H new ATOM 0 HD21 LEU A 746 -0.979 -12.655 -8.894 1.00 63.23 H new ATOM 0 HD22 LEU A 746 -2.373 -12.084 -7.946 1.00 63.23 H new ATOM 0 HD23 LEU A 746 -2.330 -11.831 -9.707 1.00 63.23 H new ATOM 633 N VAL A 747 0.593 -7.560 -9.610 1.00 4.10 N ATOM 634 CA VAL A 747 1.447 -7.320 -10.760 1.00 63.45 C ATOM 635 C VAL A 747 2.082 -8.621 -11.235 1.00 21.34 C ATOM 636 O VAL A 747 2.055 -8.942 -12.423 1.00 54.12 O ATOM 637 CB VAL A 747 2.551 -6.294 -10.430 1.00 20.32 C ATOM 638 CG1 VAL A 747 3.412 -6.006 -11.651 1.00 33.11 C ATOM 639 CG2 VAL A 747 1.938 -5.012 -9.897 1.00 74.23 C ATOM 0 H VAL A 747 1.080 -7.557 -8.714 1.00 4.10 H new ATOM 0 HA VAL A 747 0.823 -6.914 -11.556 1.00 63.45 H new ATOM 0 HB VAL A 747 3.192 -6.722 -9.659 1.00 20.32 H new ATOM 0 HG11 VAL A 747 4.182 -5.280 -11.390 1.00 33.11 H new ATOM 0 HG12 VAL A 747 3.883 -6.929 -11.990 1.00 33.11 H new ATOM 0 HG13 VAL A 747 2.788 -5.603 -12.449 1.00 33.11 H new ATOM 0 HG21 VAL A 747 2.729 -4.298 -9.669 1.00 74.23 H new ATOM 0 HG22 VAL A 747 1.272 -4.588 -10.648 1.00 74.23 H new ATOM 0 HG23 VAL A 747 1.372 -5.229 -8.991 1.00 74.23 H new ATOM 649 N ASP A 748 2.631 -9.377 -10.296 1.00 54.02 N ATOM 650 CA ASP A 748 3.320 -10.618 -10.621 1.00 61.40 C ATOM 651 C ASP A 748 3.069 -11.652 -9.535 1.00 1.30 C ATOM 652 O ASP A 748 2.882 -11.304 -8.372 1.00 64.02 O ATOM 653 CB ASP A 748 4.824 -10.360 -10.759 1.00 44.21 C ATOM 654 CG ASP A 748 5.586 -11.553 -11.303 1.00 34.14 C ATOM 655 OD1 ASP A 748 5.955 -12.447 -10.512 1.00 63.43 O ATOM 656 OD2 ASP A 748 5.838 -11.590 -12.527 1.00 30.15 O ATOM 0 H ASP A 748 2.613 -9.153 -9.301 1.00 54.02 H new ATOM 0 HA ASP A 748 2.936 -10.998 -11.568 1.00 61.40 H new ATOM 0 HB2 ASP A 748 4.981 -9.506 -11.417 1.00 44.21 H new ATOM 0 HB3 ASP A 748 5.231 -10.090 -9.784 1.00 44.21 H new ATOM 661 N GLN A 749 3.048 -12.916 -9.918 1.00 14.41 N ATOM 662 CA GLN A 749 2.885 -14.002 -8.967 1.00 53.41 C ATOM 663 C GLN A 749 3.912 -15.089 -9.249 1.00 52.41 C ATOM 664 O GLN A 749 3.763 -15.865 -10.195 1.00 24.03 O ATOM 665 CB GLN A 749 1.467 -14.577 -9.034 1.00 53.30 C ATOM 666 CG GLN A 749 1.251 -15.781 -8.130 1.00 52.31 C ATOM 667 CD GLN A 749 -0.141 -16.367 -8.255 1.00 71.21 C ATOM 668 OE1 GLN A 749 -1.121 -15.525 -8.542 1.00 44.21 O flip ATOM 669 NE2 GLN A 749 -0.338 -17.572 -8.096 1.00 34.44 N flip ATOM 0 H GLN A 749 3.142 -13.217 -10.888 1.00 14.41 H new ATOM 0 HA GLN A 749 3.043 -13.613 -7.961 1.00 53.41 H new ATOM 0 HB2 GLN A 749 0.755 -13.797 -8.762 1.00 53.30 H new ATOM 0 HB3 GLN A 749 1.249 -14.863 -10.063 1.00 53.30 H new ATOM 0 HG2 GLN A 749 1.986 -16.548 -8.372 1.00 52.31 H new ATOM 0 HG3 GLN A 749 1.425 -15.488 -7.095 1.00 52.31 H new ATOM 0 HE21 GLN A 749 0.442 -18.192 -7.876 1.00 34.44 H new ATOM 0 HE22 GLN A 749 -1.281 -17.951 -8.185 1.00 34.44 H new ATOM 678 N SER A 750 4.958 -15.127 -8.444 1.00 73.14 N ATOM 679 CA SER A 750 6.035 -16.083 -8.635 1.00 21.23 C ATOM 680 C SER A 750 6.572 -16.559 -7.292 1.00 4.24 C ATOM 681 O SER A 750 6.849 -15.753 -6.404 1.00 70.51 O ATOM 682 CB SER A 750 7.162 -15.450 -9.453 1.00 74.31 C ATOM 683 OG SER A 750 6.683 -14.961 -10.697 1.00 0.24 O ATOM 0 H SER A 750 5.085 -14.503 -7.647 1.00 73.14 H new ATOM 0 HA SER A 750 5.641 -16.943 -9.177 1.00 21.23 H new ATOM 0 HB2 SER A 750 7.611 -14.634 -8.887 1.00 74.31 H new ATOM 0 HB3 SER A 750 7.946 -16.187 -9.627 1.00 74.31 H new ATOM 0 HG SER A 750 6.749 -13.983 -10.712 1.00 0.24 H new ATOM 689 N GLY A 751 6.709 -17.867 -7.147 1.00 33.33 N ATOM 690 CA GLY A 751 7.239 -18.421 -5.922 1.00 10.20 C ATOM 691 C GLY A 751 6.891 -19.885 -5.757 1.00 64.14 C ATOM 692 O GLY A 751 6.483 -20.542 -6.719 1.00 20.00 O ATOM 0 H GLY A 751 6.462 -18.556 -7.858 1.00 33.33 H new ATOM 0 HA2 GLY A 751 8.323 -18.304 -5.912 1.00 10.20 H new ATOM 0 HA3 GLY A 751 6.849 -17.859 -5.073 1.00 10.20 H new ATOM 696 N PRO A 752 7.063 -20.428 -4.547 1.00 3.31 N ATOM 697 CA PRO A 752 6.707 -21.811 -4.237 1.00 31.51 C ATOM 698 C PRO A 752 5.204 -21.984 -4.028 1.00 11.42 C ATOM 699 O PRO A 752 4.482 -21.010 -3.834 1.00 62.13 O ATOM 700 CB PRO A 752 7.470 -22.078 -2.941 1.00 73.31 C ATOM 701 CG PRO A 752 7.569 -20.751 -2.276 1.00 3.13 C ATOM 702 CD PRO A 752 7.631 -19.727 -3.378 1.00 44.24 C ATOM 0 HA PRO A 752 6.959 -22.499 -5.045 1.00 31.51 H new ATOM 0 HB2 PRO A 752 6.943 -22.796 -2.313 1.00 73.31 H new ATOM 0 HB3 PRO A 752 8.457 -22.494 -3.142 1.00 73.31 H new ATOM 0 HG2 PRO A 752 6.709 -20.575 -1.630 1.00 3.13 H new ATOM 0 HG3 PRO A 752 8.457 -20.698 -1.646 1.00 3.13 H new ATOM 0 HD2 PRO A 752 7.055 -18.836 -3.128 1.00 44.24 H new ATOM 0 HD3 PRO A 752 8.655 -19.403 -3.565 1.00 44.24 H new ATOM 710 N PRO A 753 4.710 -23.229 -4.068 1.00 63.31 N ATOM 711 CA PRO A 753 3.288 -23.516 -3.897 1.00 1.55 C ATOM 712 C PRO A 753 2.848 -23.426 -2.437 1.00 75.21 C ATOM 713 O PRO A 753 1.692 -23.122 -2.144 1.00 53.32 O ATOM 714 CB PRO A 753 3.134 -24.952 -4.425 1.00 12.35 C ATOM 715 CG PRO A 753 4.471 -25.342 -4.970 1.00 3.12 C ATOM 716 CD PRO A 753 5.478 -24.452 -4.305 1.00 13.23 C ATOM 0 HA PRO A 753 2.665 -22.794 -4.424 1.00 1.55 H new ATOM 0 HB2 PRO A 753 2.826 -25.629 -3.628 1.00 12.35 H new ATOM 0 HB3 PRO A 753 2.368 -25.002 -5.199 1.00 12.35 H new ATOM 0 HG2 PRO A 753 4.683 -26.391 -4.763 1.00 3.12 H new ATOM 0 HG3 PRO A 753 4.500 -25.219 -6.053 1.00 3.12 H new ATOM 0 HD2 PRO A 753 5.851 -24.884 -3.376 1.00 13.23 H new ATOM 0 HD3 PRO A 753 6.344 -24.271 -4.942 1.00 13.23 H new ATOM 724 N HIS A 754 3.773 -23.682 -1.518 1.00 63.22 N ATOM 725 CA HIS A 754 3.475 -23.592 -0.090 1.00 25.14 C ATOM 726 C HIS A 754 3.496 -22.139 0.375 1.00 25.24 C ATOM 727 O HIS A 754 2.935 -21.800 1.419 1.00 65.44 O ATOM 728 CB HIS A 754 4.459 -24.437 0.730 1.00 5.24 C ATOM 729 CG HIS A 754 5.905 -24.105 0.500 1.00 3.01 C ATOM 730 ND1 HIS A 754 6.609 -24.672 -0.531 1.00 64.22 N ATOM 731 CD2 HIS A 754 6.724 -23.286 1.201 1.00 41.54 C ATOM 732 CE1 HIS A 754 7.836 -24.190 -0.437 1.00 72.55 C ATOM 733 NE2 HIS A 754 7.956 -23.347 0.597 1.00 31.42 N ATOM 0 H HIS A 754 4.733 -23.953 -1.734 1.00 63.22 H new ATOM 0 HA HIS A 754 2.473 -23.989 0.071 1.00 25.14 H new ATOM 0 HB2 HIS A 754 4.234 -24.309 1.789 1.00 5.24 H new ATOM 0 HB3 HIS A 754 4.299 -25.489 0.495 1.00 5.24 H new ATOM 0 HD2 HIS A 754 6.460 -22.698 2.068 1.00 41.54 H new ATOM 0 HE1 HIS A 754 8.642 -24.444 -1.110 1.00 72.55 H new ATOM 0 HE2 HIS A 754 8.799 -22.847 0.881 1.00 31.42 H new ATOM 741 N GLU A 755 4.141 -21.288 -0.411 1.00 14.34 N ATOM 742 CA GLU A 755 4.169 -19.858 -0.144 1.00 22.14 C ATOM 743 C GLU A 755 4.010 -19.074 -1.441 1.00 61.34 C ATOM 744 O GLU A 755 4.993 -18.620 -2.020 1.00 53.02 O ATOM 745 CB GLU A 755 5.471 -19.441 0.544 1.00 11.44 C ATOM 746 CG GLU A 755 5.508 -19.718 2.034 1.00 62.43 C ATOM 747 CD GLU A 755 6.711 -19.082 2.699 1.00 30.22 C ATOM 748 OE1 GLU A 755 6.685 -17.855 2.937 1.00 34.23 O ATOM 749 OE2 GLU A 755 7.697 -19.798 2.975 1.00 22.52 O ATOM 0 H GLU A 755 4.656 -21.567 -1.246 1.00 14.34 H new ATOM 0 HA GLU A 755 3.338 -19.634 0.525 1.00 22.14 H new ATOM 0 HB2 GLU A 755 6.302 -19.963 0.069 1.00 11.44 H new ATOM 0 HB3 GLU A 755 5.629 -18.375 0.381 1.00 11.44 H new ATOM 0 HG2 GLU A 755 4.596 -19.340 2.496 1.00 62.43 H new ATOM 0 HG3 GLU A 755 5.528 -20.795 2.202 1.00 62.43 H new ATOM 756 N PRO A 756 2.771 -18.941 -1.935 1.00 11.42 N ATOM 757 CA PRO A 756 2.494 -18.167 -3.145 1.00 23.04 C ATOM 758 C PRO A 756 2.779 -16.687 -2.932 1.00 5.10 C ATOM 759 O PRO A 756 2.003 -15.984 -2.291 1.00 65.34 O ATOM 760 CB PRO A 756 1.002 -18.404 -3.399 1.00 72.35 C ATOM 761 CG PRO A 756 0.444 -18.806 -2.076 1.00 73.32 C ATOM 762 CD PRO A 756 1.550 -19.531 -1.362 1.00 54.24 C ATOM 0 HA PRO A 756 3.120 -18.469 -3.985 1.00 23.04 H new ATOM 0 HB2 PRO A 756 0.518 -17.503 -3.774 1.00 72.35 H new ATOM 0 HB3 PRO A 756 0.848 -19.183 -4.146 1.00 72.35 H new ATOM 0 HG2 PRO A 756 0.119 -17.934 -1.508 1.00 73.32 H new ATOM 0 HG3 PRO A 756 -0.428 -19.449 -2.199 1.00 73.32 H new ATOM 0 HD2 PRO A 756 1.499 -19.380 -0.284 1.00 54.24 H new ATOM 0 HD3 PRO A 756 1.503 -20.606 -1.536 1.00 54.24 H new ATOM 770 N LYS A 757 3.909 -16.221 -3.439 1.00 32.44 N ATOM 771 CA LYS A 757 4.313 -14.846 -3.219 1.00 55.14 C ATOM 772 C LYS A 757 3.724 -13.935 -4.287 1.00 55.54 C ATOM 773 O LYS A 757 4.044 -14.044 -5.474 1.00 44.04 O ATOM 774 CB LYS A 757 5.838 -14.720 -3.172 1.00 44.34 C ATOM 775 CG LYS A 757 6.315 -13.331 -2.772 1.00 65.12 C ATOM 776 CD LYS A 757 7.807 -13.297 -2.480 1.00 63.32 C ATOM 777 CE LYS A 757 8.164 -14.159 -1.277 1.00 30.10 C ATOM 778 NZ LYS A 757 9.596 -14.025 -0.901 1.00 51.11 N ATOM 0 H LYS A 757 4.557 -16.772 -4.002 1.00 32.44 H new ATOM 0 HA LYS A 757 3.924 -14.531 -2.251 1.00 55.14 H new ATOM 0 HB2 LYS A 757 6.234 -15.450 -2.466 1.00 44.34 H new ATOM 0 HB3 LYS A 757 6.247 -14.969 -4.151 1.00 44.34 H new ATOM 0 HG2 LYS A 757 6.087 -12.626 -3.572 1.00 65.12 H new ATOM 0 HG3 LYS A 757 5.766 -13.000 -1.890 1.00 65.12 H new ATOM 0 HD2 LYS A 757 8.357 -13.646 -3.354 1.00 63.32 H new ATOM 0 HD3 LYS A 757 8.119 -12.269 -2.297 1.00 63.32 H new ATOM 0 HE2 LYS A 757 7.539 -13.876 -0.430 1.00 30.10 H new ATOM 0 HE3 LYS A 757 7.944 -15.203 -1.501 1.00 30.10 H new ATOM 0 HZ1 LYS A 757 9.797 -14.628 -0.078 1.00 51.11 H new ATOM 0 HZ2 LYS A 757 10.194 -14.319 -1.700 1.00 51.11 H new ATOM 0 HZ3 LYS A 757 9.801 -13.034 -0.662 1.00 51.11 H new ATOM 792 N PHE A 758 2.851 -13.048 -3.845 1.00 62.00 N ATOM 793 CA PHE A 758 2.168 -12.123 -4.724 1.00 75.32 C ATOM 794 C PHE A 758 2.862 -10.771 -4.716 1.00 73.41 C ATOM 795 O PHE A 758 3.088 -10.182 -3.654 1.00 43.21 O ATOM 796 CB PHE A 758 0.714 -11.950 -4.277 1.00 24.41 C ATOM 797 CG PHE A 758 -0.055 -13.235 -4.189 1.00 14.51 C ATOM 798 CD1 PHE A 758 -0.574 -13.826 -5.328 1.00 21.11 C ATOM 799 CD2 PHE A 758 -0.259 -13.852 -2.967 1.00 72.45 C ATOM 800 CE1 PHE A 758 -1.281 -15.008 -5.250 1.00 34.12 C ATOM 801 CE2 PHE A 758 -0.966 -15.035 -2.881 1.00 54.43 C ATOM 802 CZ PHE A 758 -1.477 -15.614 -4.025 1.00 53.42 C ATOM 0 H PHE A 758 2.596 -12.950 -2.862 1.00 62.00 H new ATOM 0 HA PHE A 758 2.192 -12.529 -5.735 1.00 75.32 H new ATOM 0 HB2 PHE A 758 0.700 -11.463 -3.302 1.00 24.41 H new ATOM 0 HB3 PHE A 758 0.207 -11.283 -4.974 1.00 24.41 H new ATOM 0 HD1 PHE A 758 -0.424 -13.356 -6.289 1.00 21.11 H new ATOM 0 HD2 PHE A 758 0.140 -13.403 -2.070 1.00 72.45 H new ATOM 0 HE1 PHE A 758 -1.681 -15.459 -6.146 1.00 34.12 H new ATOM 0 HE2 PHE A 758 -1.119 -15.506 -1.921 1.00 54.43 H new ATOM 0 HZ PHE A 758 -2.029 -16.540 -3.962 1.00 53.42 H new ATOM 812 N VAL A 759 3.212 -10.290 -5.893 1.00 2.40 N ATOM 813 CA VAL A 759 3.783 -8.965 -6.034 1.00 33.21 C ATOM 814 C VAL A 759 2.666 -7.948 -6.222 1.00 21.34 C ATOM 815 O VAL A 759 2.076 -7.850 -7.301 1.00 54.13 O ATOM 816 CB VAL A 759 4.762 -8.884 -7.223 1.00 22.31 C ATOM 817 CG1 VAL A 759 5.374 -7.494 -7.327 1.00 41.03 C ATOM 818 CG2 VAL A 759 5.850 -9.940 -7.099 1.00 43.41 C ATOM 0 H VAL A 759 3.110 -10.801 -6.770 1.00 2.40 H new ATOM 0 HA VAL A 759 4.344 -8.745 -5.126 1.00 33.21 H new ATOM 0 HB VAL A 759 4.200 -9.078 -8.137 1.00 22.31 H new ATOM 0 HG11 VAL A 759 6.061 -7.461 -8.173 1.00 41.03 H new ATOM 0 HG12 VAL A 759 4.583 -6.758 -7.473 1.00 41.03 H new ATOM 0 HG13 VAL A 759 5.917 -7.266 -6.410 1.00 41.03 H new ATOM 0 HG21 VAL A 759 6.529 -9.864 -7.948 1.00 43.41 H new ATOM 0 HG22 VAL A 759 6.406 -9.783 -6.175 1.00 43.41 H new ATOM 0 HG23 VAL A 759 5.396 -10.931 -7.085 1.00 43.41 H new ATOM 828 N TYR A 760 2.365 -7.221 -5.163 1.00 51.14 N ATOM 829 CA TYR A 760 1.302 -6.230 -5.190 1.00 31.11 C ATOM 830 C TYR A 760 1.875 -4.829 -5.315 1.00 63.20 C ATOM 831 O TYR A 760 2.915 -4.514 -4.734 1.00 52.51 O ATOM 832 CB TYR A 760 0.430 -6.330 -3.935 1.00 14.33 C ATOM 833 CG TYR A 760 -0.773 -7.226 -4.109 1.00 10.20 C ATOM 834 CD1 TYR A 760 -0.644 -8.607 -4.120 1.00 64.41 C ATOM 835 CD2 TYR A 760 -2.040 -6.683 -4.274 1.00 21.32 C ATOM 836 CE1 TYR A 760 -1.744 -9.425 -4.292 1.00 11.52 C ATOM 837 CE2 TYR A 760 -3.145 -7.493 -4.445 1.00 34.44 C ATOM 838 CZ TYR A 760 -2.991 -8.862 -4.456 1.00 42.41 C ATOM 839 OH TYR A 760 -4.088 -9.670 -4.634 1.00 21.32 O ATOM 0 H TYR A 760 2.845 -7.298 -4.266 1.00 51.14 H new ATOM 0 HA TYR A 760 0.680 -6.432 -6.062 1.00 31.11 H new ATOM 0 HB2 TYR A 760 1.036 -6.704 -3.110 1.00 14.33 H new ATOM 0 HB3 TYR A 760 0.093 -5.332 -3.656 1.00 14.33 H new ATOM 0 HD1 TYR A 760 0.333 -9.050 -3.992 1.00 64.41 H new ATOM 0 HD2 TYR A 760 -2.163 -5.610 -4.269 1.00 21.32 H new ATOM 0 HE1 TYR A 760 -1.627 -10.499 -4.298 1.00 11.52 H new ATOM 0 HE2 TYR A 760 -4.125 -7.056 -4.569 1.00 34.44 H new ATOM 0 HH TYR A 760 -3.861 -10.590 -4.385 1.00 21.32 H new ATOM 849 N GLN A 761 1.193 -3.998 -6.078 1.00 63.03 N ATOM 850 CA GLN A 761 1.617 -2.626 -6.276 1.00 73.33 C ATOM 851 C GLN A 761 0.433 -1.686 -6.119 1.00 21.30 C ATOM 852 O GLN A 761 -0.665 -1.962 -6.616 1.00 43.41 O ATOM 853 CB GLN A 761 2.270 -2.470 -7.652 1.00 4.23 C ATOM 854 CG GLN A 761 2.622 -1.041 -8.018 1.00 55.54 C ATOM 855 CD GLN A 761 3.543 -0.965 -9.219 1.00 2.41 C ATOM 856 OE1 GLN A 761 3.098 -0.969 -10.365 1.00 11.31 O ATOM 857 NE2 GLN A 761 4.837 -0.871 -8.964 1.00 20.21 N ATOM 0 H GLN A 761 0.338 -4.251 -6.574 1.00 63.03 H new ATOM 0 HA GLN A 761 2.358 -2.366 -5.520 1.00 73.33 H new ATOM 0 HB2 GLN A 761 3.177 -3.074 -7.681 1.00 4.23 H new ATOM 0 HB3 GLN A 761 1.596 -2.871 -8.409 1.00 4.23 H new ATOM 0 HG2 GLN A 761 1.708 -0.486 -8.229 1.00 55.54 H new ATOM 0 HG3 GLN A 761 3.099 -0.557 -7.166 1.00 55.54 H new ATOM 0 HE21 GLN A 761 5.168 -0.871 -7.999 1.00 20.21 H new ATOM 0 HE22 GLN A 761 5.504 -0.798 -9.732 1.00 20.21 H new ATOM 866 N ALA A 762 0.653 -0.592 -5.409 1.00 62.22 N ATOM 867 CA ALA A 762 -0.400 0.372 -5.150 1.00 32.52 C ATOM 868 C ALA A 762 -0.477 1.390 -6.277 1.00 60.34 C ATOM 869 O ALA A 762 0.470 2.137 -6.525 1.00 12.11 O ATOM 870 CB ALA A 762 -0.179 1.060 -3.813 1.00 74.12 C ATOM 0 H ALA A 762 1.556 -0.350 -5.001 1.00 62.22 H new ATOM 0 HA ALA A 762 -1.351 -0.159 -5.104 1.00 32.52 H new ATOM 0 HB1 ALA A 762 -0.979 1.779 -3.637 1.00 74.12 H new ATOM 0 HB2 ALA A 762 -0.178 0.316 -3.017 1.00 74.12 H new ATOM 0 HB3 ALA A 762 0.779 1.579 -3.825 1.00 74.12 H new ATOM 876 N LYS A 763 -1.598 1.393 -6.969 1.00 24.51 N ATOM 877 CA LYS A 763 -1.825 2.336 -8.045 1.00 53.11 C ATOM 878 C LYS A 763 -2.587 3.541 -7.516 1.00 20.32 C ATOM 879 O LYS A 763 -3.802 3.484 -7.315 1.00 50.32 O ATOM 880 CB LYS A 763 -2.603 1.670 -9.181 1.00 50.51 C ATOM 881 CG LYS A 763 -2.909 2.598 -10.346 1.00 50.24 C ATOM 882 CD LYS A 763 -3.801 1.913 -11.369 1.00 11.12 C ATOM 883 CE LYS A 763 -4.185 2.846 -12.507 1.00 50.33 C ATOM 884 NZ LYS A 763 -5.057 3.960 -12.049 1.00 35.55 N ATOM 0 H LYS A 763 -2.371 0.748 -6.804 1.00 24.51 H new ATOM 0 HA LYS A 763 -0.863 2.667 -8.437 1.00 53.11 H new ATOM 0 HB2 LYS A 763 -2.031 0.818 -9.549 1.00 50.51 H new ATOM 0 HB3 LYS A 763 -3.540 1.278 -8.785 1.00 50.51 H new ATOM 0 HG2 LYS A 763 -3.398 3.500 -9.978 1.00 50.24 H new ATOM 0 HG3 LYS A 763 -1.979 2.910 -10.821 1.00 50.24 H new ATOM 0 HD2 LYS A 763 -3.286 1.041 -11.773 1.00 11.12 H new ATOM 0 HD3 LYS A 763 -4.704 1.550 -10.878 1.00 11.12 H new ATOM 0 HE2 LYS A 763 -3.282 3.256 -12.959 1.00 50.33 H new ATOM 0 HE3 LYS A 763 -4.700 2.278 -13.282 1.00 50.33 H new ATOM 0 HZ1 LYS A 763 -5.589 4.340 -12.858 1.00 35.55 H new ATOM 0 HZ2 LYS A 763 -5.723 3.607 -11.332 1.00 35.55 H new ATOM 0 HZ3 LYS A 763 -4.470 4.713 -11.636 1.00 35.55 H new ATOM 898 N VAL A 764 -1.864 4.615 -7.260 1.00 70.45 N ATOM 899 CA VAL A 764 -2.466 5.834 -6.753 1.00 30.12 C ATOM 900 C VAL A 764 -2.550 6.869 -7.864 1.00 63.11 C ATOM 901 O VAL A 764 -1.557 7.516 -8.207 1.00 24.32 O ATOM 902 CB VAL A 764 -1.681 6.403 -5.555 1.00 12.12 C ATOM 903 CG1 VAL A 764 -2.339 7.669 -5.030 1.00 74.05 C ATOM 904 CG2 VAL A 764 -1.568 5.362 -4.451 1.00 70.33 C ATOM 0 H VAL A 764 -0.854 4.668 -7.396 1.00 70.45 H new ATOM 0 HA VAL A 764 -3.470 5.592 -6.403 1.00 30.12 H new ATOM 0 HB VAL A 764 -0.677 6.658 -5.895 1.00 12.12 H new ATOM 0 HG11 VAL A 764 -1.767 8.052 -4.185 1.00 74.05 H new ATOM 0 HG12 VAL A 764 -2.366 8.419 -5.820 1.00 74.05 H new ATOM 0 HG13 VAL A 764 -3.356 7.444 -4.708 1.00 74.05 H new ATOM 0 HG21 VAL A 764 -1.011 5.780 -3.613 1.00 70.33 H new ATOM 0 HG22 VAL A 764 -2.565 5.076 -4.117 1.00 70.33 H new ATOM 0 HG23 VAL A 764 -1.047 4.484 -4.831 1.00 70.33 H new ATOM 914 N GLY A 765 -3.738 7.001 -8.437 1.00 11.45 N ATOM 915 CA GLY A 765 -3.919 7.871 -9.580 1.00 1.34 C ATOM 916 C GLY A 765 -3.235 7.304 -10.802 1.00 13.35 C ATOM 917 O GLY A 765 -3.638 6.259 -11.316 1.00 53.13 O ATOM 0 H GLY A 765 -4.582 6.519 -8.129 1.00 11.45 H new ATOM 0 HA2 GLY A 765 -4.983 7.999 -9.780 1.00 1.34 H new ATOM 0 HA3 GLY A 765 -3.516 8.859 -9.358 1.00 1.34 H new ATOM 921 N GLY A 766 -2.181 7.969 -11.245 1.00 2.31 N ATOM 922 CA GLY A 766 -1.401 7.469 -12.354 1.00 65.01 C ATOM 923 C GLY A 766 -0.020 7.044 -11.910 1.00 71.01 C ATOM 924 O GLY A 766 0.858 6.786 -12.733 1.00 42.32 O ATOM 0 H GLY A 766 -1.851 8.851 -10.853 1.00 2.31 H new ATOM 0 HA2 GLY A 766 -1.915 6.623 -12.810 1.00 65.01 H new ATOM 0 HA3 GLY A 766 -1.317 8.241 -13.119 1.00 65.01 H new ATOM 928 N ARG A 767 0.173 6.977 -10.601 1.00 3.41 N ATOM 929 CA ARG A 767 1.460 6.609 -10.037 1.00 43.52 C ATOM 930 C ARG A 767 1.402 5.212 -9.441 1.00 1.31 C ATOM 931 O ARG A 767 0.488 4.884 -8.686 1.00 13.21 O ATOM 932 CB ARG A 767 1.882 7.621 -8.973 1.00 34.15 C ATOM 933 CG ARG A 767 2.075 9.025 -9.518 1.00 54.32 C ATOM 934 CD ARG A 767 2.599 9.968 -8.452 1.00 15.21 C ATOM 935 NE ARG A 767 1.636 10.189 -7.376 1.00 72.55 N ATOM 936 CZ ARG A 767 1.971 10.630 -6.164 1.00 21.02 C ATOM 937 NH1 ARG A 767 3.251 10.817 -5.860 1.00 45.12 N ATOM 938 NH2 ARG A 767 1.035 10.867 -5.253 1.00 5.15 N ATOM 0 H ARG A 767 -0.549 7.174 -9.908 1.00 3.41 H new ATOM 0 HA ARG A 767 2.200 6.613 -10.837 1.00 43.52 H new ATOM 0 HB2 ARG A 767 1.128 7.645 -8.186 1.00 34.15 H new ATOM 0 HB3 ARG A 767 2.812 7.287 -8.513 1.00 34.15 H new ATOM 0 HG2 ARG A 767 2.771 8.999 -10.356 1.00 54.32 H new ATOM 0 HG3 ARG A 767 1.127 9.400 -9.903 1.00 54.32 H new ATOM 0 HD2 ARG A 767 3.520 9.562 -8.033 1.00 15.21 H new ATOM 0 HD3 ARG A 767 2.852 10.924 -8.910 1.00 15.21 H new ATOM 0 HE ARG A 767 0.652 9.995 -7.563 1.00 72.55 H new ATOM 0 HH11 ARG A 767 3.973 10.623 -6.553 1.00 45.12 H new ATOM 0 HH12 ARG A 767 3.511 11.154 -4.933 1.00 45.12 H new ATOM 0 HH21 ARG A 767 0.053 10.712 -5.479 1.00 5.15 H new ATOM 0 HH22 ARG A 767 1.298 11.204 -4.327 1.00 5.15 H new ATOM 952 N TRP A 768 2.381 4.396 -9.787 1.00 5.00 N ATOM 953 CA TRP A 768 2.426 3.017 -9.336 1.00 4.32 C ATOM 954 C TRP A 768 3.535 2.842 -8.303 1.00 23.41 C ATOM 955 O TRP A 768 4.711 2.753 -8.660 1.00 11.05 O ATOM 956 CB TRP A 768 2.689 2.083 -10.519 1.00 3.10 C ATOM 957 CG TRP A 768 1.727 2.236 -11.662 1.00 40.24 C ATOM 958 CD1 TRP A 768 1.717 3.233 -12.598 1.00 52.14 C ATOM 959 CD2 TRP A 768 0.657 1.352 -12.007 1.00 62.22 C ATOM 960 NE1 TRP A 768 0.700 3.025 -13.496 1.00 4.12 N ATOM 961 CE2 TRP A 768 0.035 1.876 -13.157 1.00 32.12 C ATOM 962 CE3 TRP A 768 0.162 0.169 -11.455 1.00 60.40 C ATOM 963 CZ2 TRP A 768 -1.053 1.256 -13.762 1.00 74.33 C ATOM 964 CZ3 TRP A 768 -0.919 -0.445 -12.056 1.00 41.24 C ATOM 965 CH2 TRP A 768 -1.517 0.098 -13.199 1.00 60.44 C ATOM 0 H TRP A 768 3.162 4.668 -10.384 1.00 5.00 H new ATOM 0 HA TRP A 768 1.465 2.768 -8.886 1.00 4.32 H new ATOM 0 HB2 TRP A 768 3.700 2.259 -10.886 1.00 3.10 H new ATOM 0 HB3 TRP A 768 2.653 1.052 -10.166 1.00 3.10 H new ATOM 0 HD1 TRP A 768 2.408 4.062 -12.626 1.00 52.14 H new ATOM 0 HE1 TRP A 768 0.476 3.628 -14.287 1.00 4.12 H new ATOM 0 HE3 TRP A 768 0.617 -0.258 -10.573 1.00 60.40 H new ATOM 0 HZ2 TRP A 768 -1.515 1.673 -14.644 1.00 74.33 H new ATOM 0 HZ3 TRP A 768 -1.310 -1.360 -11.637 1.00 41.24 H new ATOM 0 HH2 TRP A 768 -2.361 -0.407 -13.645 1.00 60.44 H new ATOM 976 N PHE A 769 3.171 2.802 -7.029 1.00 33.51 N ATOM 977 CA PHE A 769 4.155 2.681 -5.960 1.00 2.44 C ATOM 978 C PHE A 769 3.472 2.359 -4.636 1.00 73.12 C ATOM 979 O PHE A 769 2.409 2.893 -4.332 1.00 3.25 O ATOM 980 CB PHE A 769 4.982 3.972 -5.829 1.00 21.23 C ATOM 981 CG PHE A 769 4.215 5.155 -5.300 1.00 3.04 C ATOM 982 CD1 PHE A 769 3.348 5.863 -6.116 1.00 1.50 C ATOM 983 CD2 PHE A 769 4.367 5.558 -3.982 1.00 11.43 C ATOM 984 CE1 PHE A 769 2.646 6.948 -5.629 1.00 30.52 C ATOM 985 CE2 PHE A 769 3.669 6.643 -3.489 1.00 15.23 C ATOM 986 CZ PHE A 769 2.806 7.338 -4.314 1.00 73.04 C ATOM 0 H PHE A 769 2.204 2.851 -6.710 1.00 33.51 H new ATOM 0 HA PHE A 769 4.829 1.863 -6.214 1.00 2.44 H new ATOM 0 HB2 PHE A 769 5.829 3.780 -5.170 1.00 21.23 H new ATOM 0 HB3 PHE A 769 5.390 4.228 -6.807 1.00 21.23 H new ATOM 0 HD1 PHE A 769 3.219 5.563 -7.145 1.00 1.50 H new ATOM 0 HD2 PHE A 769 5.039 5.017 -3.333 1.00 11.43 H new ATOM 0 HE1 PHE A 769 1.973 7.491 -6.276 1.00 30.52 H new ATOM 0 HE2 PHE A 769 3.798 6.947 -2.461 1.00 15.23 H new ATOM 0 HZ PHE A 769 2.257 8.185 -3.931 1.00 73.04 H new ATOM 996 N PRO A 770 4.071 1.470 -3.832 1.00 52.44 N ATOM 997 CA PRO A 770 5.289 0.756 -4.185 1.00 43.03 C ATOM 998 C PRO A 770 4.989 -0.616 -4.780 1.00 32.13 C ATOM 999 O PRO A 770 3.839 -0.930 -5.081 1.00 63.32 O ATOM 1000 CB PRO A 770 5.968 0.616 -2.827 1.00 1.31 C ATOM 1001 CG PRO A 770 4.838 0.464 -1.855 1.00 1.12 C ATOM 1002 CD PRO A 770 3.616 1.097 -2.487 1.00 13.42 C ATOM 0 HA PRO A 770 5.887 1.265 -4.941 1.00 43.03 H new ATOM 0 HB2 PRO A 770 6.631 -0.249 -2.802 1.00 1.31 H new ATOM 0 HB3 PRO A 770 6.576 1.491 -2.595 1.00 1.31 H new ATOM 0 HG2 PRO A 770 4.657 -0.589 -1.637 1.00 1.12 H new ATOM 0 HG3 PRO A 770 5.077 0.949 -0.909 1.00 1.12 H new ATOM 0 HD2 PRO A 770 2.779 0.399 -2.527 1.00 13.42 H new ATOM 0 HD3 PRO A 770 3.279 1.967 -1.923 1.00 13.42 H new ATOM 1010 N ALA A 771 6.022 -1.427 -4.947 1.00 34.34 N ATOM 1011 CA ALA A 771 5.859 -2.786 -5.434 1.00 35.42 C ATOM 1012 C ALA A 771 6.429 -3.773 -4.424 1.00 60.25 C ATOM 1013 O ALA A 771 7.645 -3.953 -4.337 1.00 71.12 O ATOM 1014 CB ALA A 771 6.536 -2.958 -6.785 1.00 72.41 C ATOM 0 H ALA A 771 6.988 -1.164 -4.751 1.00 34.34 H new ATOM 0 HA ALA A 771 4.795 -2.985 -5.560 1.00 35.42 H new ATOM 0 HB1 ALA A 771 6.402 -3.983 -7.131 1.00 72.41 H new ATOM 0 HB2 ALA A 771 6.092 -2.271 -7.505 1.00 72.41 H new ATOM 0 HB3 ALA A 771 7.600 -2.744 -6.688 1.00 72.41 H new ATOM 1020 N VAL A 772 5.550 -4.393 -3.656 1.00 12.00 N ATOM 1021 CA VAL A 772 5.971 -5.306 -2.598 1.00 34.51 C ATOM 1022 C VAL A 772 5.613 -6.744 -2.950 1.00 43.31 C ATOM 1023 O VAL A 772 4.858 -6.992 -3.887 1.00 54.12 O ATOM 1024 CB VAL A 772 5.332 -4.938 -1.242 1.00 3.30 C ATOM 1025 CG1 VAL A 772 5.803 -3.567 -0.779 1.00 20.34 C ATOM 1026 CG2 VAL A 772 3.812 -4.984 -1.333 1.00 11.31 C ATOM 0 H VAL A 772 4.540 -4.283 -3.742 1.00 12.00 H new ATOM 0 HA VAL A 772 7.053 -5.213 -2.509 1.00 34.51 H new ATOM 0 HB VAL A 772 5.651 -5.674 -0.504 1.00 3.30 H new ATOM 0 HG11 VAL A 772 5.340 -3.328 0.179 1.00 20.34 H new ATOM 0 HG12 VAL A 772 6.887 -3.574 -0.667 1.00 20.34 H new ATOM 0 HG13 VAL A 772 5.519 -2.816 -1.517 1.00 20.34 H new ATOM 0 HG21 VAL A 772 3.382 -4.721 -0.367 1.00 11.31 H new ATOM 0 HG22 VAL A 772 3.471 -4.275 -2.087 1.00 11.31 H new ATOM 0 HG23 VAL A 772 3.494 -5.989 -1.611 1.00 11.31 H new ATOM 1036 N CYS A 773 6.154 -7.689 -2.195 1.00 23.03 N ATOM 1037 CA CYS A 773 5.887 -9.097 -2.434 1.00 52.32 C ATOM 1038 C CYS A 773 5.557 -9.821 -1.129 1.00 71.00 C ATOM 1039 O CYS A 773 6.398 -9.947 -0.238 1.00 71.33 O ATOM 1040 CB CYS A 773 7.086 -9.744 -3.133 1.00 22.52 C ATOM 1041 SG CYS A 773 8.683 -9.359 -2.376 1.00 42.12 S ATOM 0 H CYS A 773 6.781 -7.505 -1.412 1.00 23.03 H new ATOM 0 HA CYS A 773 5.017 -9.181 -3.085 1.00 52.32 H new ATOM 0 HB2 CYS A 773 6.950 -10.825 -3.137 1.00 22.52 H new ATOM 0 HB3 CYS A 773 7.103 -9.421 -4.174 1.00 22.52 H new ATOM 0 HG CYS A 773 9.631 -9.954 -3.037 1.00 42.12 H new ATOM 1047 N ALA A 774 4.321 -10.282 -1.021 1.00 43.20 N ATOM 1048 CA ALA A 774 3.860 -10.989 0.165 1.00 44.15 C ATOM 1049 C ALA A 774 3.137 -12.264 -0.240 1.00 21.34 C ATOM 1050 O ALA A 774 2.518 -12.312 -1.298 1.00 44.42 O ATOM 1051 CB ALA A 774 2.944 -10.097 0.989 1.00 54.42 C ATOM 0 H ALA A 774 3.613 -10.178 -1.747 1.00 43.20 H new ATOM 0 HA ALA A 774 4.723 -11.254 0.776 1.00 44.15 H new ATOM 0 HB1 ALA A 774 2.607 -10.639 1.873 1.00 54.42 H new ATOM 0 HB2 ALA A 774 3.487 -9.203 1.297 1.00 54.42 H new ATOM 0 HB3 ALA A 774 2.081 -9.809 0.389 1.00 54.42 H new ATOM 1057 N HIS A 775 3.199 -13.293 0.598 1.00 73.23 N ATOM 1058 CA HIS A 775 2.596 -14.580 0.244 1.00 33.02 C ATOM 1059 C HIS A 775 1.100 -14.609 0.561 1.00 11.35 C ATOM 1060 O HIS A 775 0.495 -15.677 0.643 1.00 21.22 O ATOM 1061 CB HIS A 775 3.330 -15.759 0.919 1.00 35.14 C ATOM 1062 CG HIS A 775 3.352 -15.746 2.423 1.00 64.41 C ATOM 1063 ND1 HIS A 775 4.410 -16.237 3.158 1.00 13.01 N ATOM 1064 CD2 HIS A 775 2.436 -15.328 3.328 1.00 23.33 C ATOM 1065 CE1 HIS A 775 4.144 -16.118 4.444 1.00 22.13 C ATOM 1066 NE2 HIS A 775 2.954 -15.569 4.576 1.00 40.35 N ATOM 0 H HIS A 775 3.651 -13.267 1.512 1.00 73.23 H new ATOM 0 HA HIS A 775 2.707 -14.697 -0.834 1.00 33.02 H new ATOM 0 HB2 HIS A 775 2.864 -16.688 0.590 1.00 35.14 H new ATOM 0 HB3 HIS A 775 4.359 -15.774 0.560 1.00 35.14 H new ATOM 0 HD1 HIS A 775 5.266 -16.631 2.768 1.00 13.01 H new ATOM 0 HD2 HIS A 775 1.475 -14.886 3.109 1.00 23.33 H new ATOM 0 HE1 HIS A 775 4.793 -16.420 5.253 1.00 22.13 H new ATOM 1075 N SER A 776 0.508 -13.436 0.728 1.00 3.01 N ATOM 1076 CA SER A 776 -0.923 -13.324 0.957 1.00 32.40 C ATOM 1077 C SER A 776 -1.444 -12.021 0.359 1.00 24.23 C ATOM 1078 O SER A 776 -0.757 -10.998 0.395 1.00 64.43 O ATOM 1079 CB SER A 776 -1.231 -13.379 2.457 1.00 11.51 C ATOM 1080 OG SER A 776 -2.630 -13.367 2.700 1.00 73.02 O ATOM 0 H SER A 776 1.001 -12.543 0.709 1.00 3.01 H new ATOM 0 HA SER A 776 -1.423 -14.162 0.471 1.00 32.40 H new ATOM 0 HB2 SER A 776 -0.793 -14.280 2.887 1.00 11.51 H new ATOM 0 HB3 SER A 776 -0.766 -12.529 2.957 1.00 11.51 H new ATOM 0 HG SER A 776 -2.795 -13.405 3.665 1.00 73.02 H new ATOM 1086 N LYS A 777 -2.652 -12.072 -0.193 1.00 14.15 N ATOM 1087 CA LYS A 777 -3.290 -10.899 -0.778 1.00 54.25 C ATOM 1088 C LYS A 777 -3.422 -9.786 0.253 1.00 54.04 C ATOM 1089 O LYS A 777 -3.047 -8.641 0.001 1.00 5.12 O ATOM 1090 CB LYS A 777 -4.681 -11.257 -1.303 1.00 63.20 C ATOM 1091 CG LYS A 777 -5.432 -10.068 -1.884 1.00 72.51 C ATOM 1092 CD LYS A 777 -6.917 -10.131 -1.560 1.00 2.21 C ATOM 1093 CE LYS A 777 -7.565 -11.395 -2.102 1.00 45.51 C ATOM 1094 NZ LYS A 777 -7.529 -11.452 -3.587 1.00 44.31 N ATOM 0 H LYS A 777 -3.213 -12.922 -0.247 1.00 14.15 H new ATOM 0 HA LYS A 777 -2.664 -10.554 -1.601 1.00 54.25 H new ATOM 0 HB2 LYS A 777 -4.585 -12.026 -2.069 1.00 63.20 H new ATOM 0 HB3 LYS A 777 -5.268 -11.687 -0.491 1.00 63.20 H new ATOM 0 HG2 LYS A 777 -5.012 -9.143 -1.489 1.00 72.51 H new ATOM 0 HG3 LYS A 777 -5.296 -10.044 -2.965 1.00 72.51 H new ATOM 0 HD2 LYS A 777 -7.054 -10.088 -0.480 1.00 2.21 H new ATOM 0 HD3 LYS A 777 -7.417 -9.258 -1.980 1.00 2.21 H new ATOM 0 HE2 LYS A 777 -7.054 -12.267 -1.694 1.00 45.51 H new ATOM 0 HE3 LYS A 777 -8.600 -11.445 -1.763 1.00 45.51 H new ATOM 0 HZ1 LYS A 777 -8.070 -12.277 -3.916 1.00 44.31 H new ATOM 0 HZ2 LYS A 777 -7.949 -10.585 -3.978 1.00 44.31 H new ATOM 0 HZ3 LYS A 777 -6.543 -11.534 -3.907 1.00 44.31 H new ATOM 1108 N LYS A 778 -3.956 -10.144 1.417 1.00 61.51 N ATOM 1109 CA LYS A 778 -4.178 -9.182 2.487 1.00 41.30 C ATOM 1110 C LYS A 778 -2.865 -8.530 2.894 1.00 71.35 C ATOM 1111 O LYS A 778 -2.787 -7.310 3.038 1.00 23.40 O ATOM 1112 CB LYS A 778 -4.824 -9.866 3.694 1.00 45.23 C ATOM 1113 CG LYS A 778 -5.212 -8.906 4.807 1.00 12.21 C ATOM 1114 CD LYS A 778 -5.846 -9.640 5.974 1.00 63.44 C ATOM 1115 CE LYS A 778 -6.345 -8.679 7.040 1.00 31.00 C ATOM 1116 NZ LYS A 778 -6.991 -9.397 8.170 1.00 22.30 N ATOM 0 H LYS A 778 -4.243 -11.097 1.642 1.00 61.51 H new ATOM 0 HA LYS A 778 -4.854 -8.409 2.121 1.00 41.30 H new ATOM 0 HB2 LYS A 778 -5.713 -10.403 3.363 1.00 45.23 H new ATOM 0 HB3 LYS A 778 -4.133 -10.609 4.092 1.00 45.23 H new ATOM 0 HG2 LYS A 778 -4.328 -8.368 5.150 1.00 12.21 H new ATOM 0 HG3 LYS A 778 -5.909 -8.162 4.421 1.00 12.21 H new ATOM 0 HD2 LYS A 778 -6.677 -10.247 5.614 1.00 63.44 H new ATOM 0 HD3 LYS A 778 -5.119 -10.323 6.412 1.00 63.44 H new ATOM 0 HE2 LYS A 778 -5.510 -8.087 7.415 1.00 31.00 H new ATOM 0 HE3 LYS A 778 -7.057 -7.982 6.597 1.00 31.00 H new ATOM 0 HZ1 LYS A 778 -7.319 -8.708 8.877 1.00 22.30 H new ATOM 0 HZ2 LYS A 778 -7.803 -9.942 7.816 1.00 22.30 H new ATOM 0 HZ3 LYS A 778 -6.304 -10.043 8.609 1.00 22.30 H new ATOM 1130 N GLN A 779 -1.830 -9.349 3.052 1.00 64.35 N ATOM 1131 CA GLN A 779 -0.509 -8.846 3.395 1.00 62.43 C ATOM 1132 C GLN A 779 0.029 -7.958 2.288 1.00 23.33 C ATOM 1133 O GLN A 779 0.611 -6.918 2.560 1.00 3.22 O ATOM 1134 CB GLN A 779 0.466 -9.990 3.653 1.00 32.04 C ATOM 1135 CG GLN A 779 0.134 -10.811 4.882 1.00 63.21 C ATOM 1136 CD GLN A 779 1.161 -11.891 5.136 1.00 52.22 C ATOM 1137 OE1 GLN A 779 1.035 -13.006 4.639 1.00 15.44 O ATOM 1138 NE2 GLN A 779 2.186 -11.568 5.905 1.00 0.33 N ATOM 0 H GLN A 779 -1.883 -10.362 2.948 1.00 64.35 H new ATOM 0 HA GLN A 779 -0.607 -8.260 4.309 1.00 62.43 H new ATOM 0 HB2 GLN A 779 0.481 -10.646 2.782 1.00 32.04 H new ATOM 0 HB3 GLN A 779 1.471 -9.581 3.761 1.00 32.04 H new ATOM 0 HG2 GLN A 779 0.075 -10.155 5.751 1.00 63.21 H new ATOM 0 HG3 GLN A 779 -0.849 -11.267 4.759 1.00 63.21 H new ATOM 0 HE21 GLN A 779 2.253 -10.629 6.298 1.00 0.33 H new ATOM 0 HE22 GLN A 779 2.911 -12.257 6.105 1.00 0.33 H new ATOM 1147 N GLY A 780 -0.179 -8.373 1.041 1.00 3.44 N ATOM 1148 CA GLY A 780 0.259 -7.582 -0.093 1.00 51.34 C ATOM 1149 C GLY A 780 -0.301 -6.176 -0.055 1.00 25.12 C ATOM 1150 O GLY A 780 0.422 -5.206 -0.275 1.00 42.11 O ATOM 0 H GLY A 780 -0.645 -9.247 0.797 1.00 3.44 H new ATOM 0 HA2 GLY A 780 1.348 -7.538 -0.105 1.00 51.34 H new ATOM 0 HA3 GLY A 780 -0.051 -8.071 -1.017 1.00 51.34 H new ATOM 1154 N LYS A 781 -1.591 -6.067 0.244 1.00 15.34 N ATOM 1155 CA LYS A 781 -2.237 -4.766 0.362 1.00 72.04 C ATOM 1156 C LYS A 781 -1.684 -3.985 1.555 1.00 44.34 C ATOM 1157 O LYS A 781 -1.397 -2.792 1.446 1.00 1.12 O ATOM 1158 CB LYS A 781 -3.751 -4.934 0.490 1.00 23.31 C ATOM 1159 CG LYS A 781 -4.394 -5.580 -0.728 1.00 21.44 C ATOM 1160 CD LYS A 781 -5.903 -5.707 -0.579 1.00 55.04 C ATOM 1161 CE LYS A 781 -6.560 -4.353 -0.364 1.00 63.44 C ATOM 1162 NZ LYS A 781 -8.041 -4.437 -0.442 1.00 15.50 N ATOM 0 H LYS A 781 -2.208 -6.862 0.409 1.00 15.34 H new ATOM 0 HA LYS A 781 -2.023 -4.197 -0.543 1.00 72.04 H new ATOM 0 HB2 LYS A 781 -3.968 -5.539 1.370 1.00 23.31 H new ATOM 0 HB3 LYS A 781 -4.205 -3.957 0.655 1.00 23.31 H new ATOM 0 HG2 LYS A 781 -4.166 -4.988 -1.614 1.00 21.44 H new ATOM 0 HG3 LYS A 781 -3.961 -6.568 -0.885 1.00 21.44 H new ATOM 0 HD2 LYS A 781 -6.319 -6.176 -1.470 1.00 55.04 H new ATOM 0 HD3 LYS A 781 -6.132 -6.361 0.262 1.00 55.04 H new ATOM 0 HE2 LYS A 781 -6.270 -3.959 0.610 1.00 63.44 H new ATOM 0 HE3 LYS A 781 -6.196 -3.650 -1.113 1.00 63.44 H new ATOM 0 HZ1 LYS A 781 -8.451 -3.493 -0.290 1.00 15.50 H new ATOM 0 HZ2 LYS A 781 -8.320 -4.789 -1.380 1.00 15.50 H new ATOM 0 HZ3 LYS A 781 -8.391 -5.088 0.290 1.00 15.50 H new ATOM 1176 N GLN A 782 -1.518 -4.669 2.684 1.00 40.24 N ATOM 1177 CA GLN A 782 -1.007 -4.039 3.900 1.00 25.45 C ATOM 1178 C GLN A 782 0.424 -3.546 3.700 1.00 52.11 C ATOM 1179 O GLN A 782 0.744 -2.404 4.024 1.00 53.11 O ATOM 1180 CB GLN A 782 -1.059 -5.019 5.075 1.00 10.01 C ATOM 1181 CG GLN A 782 -2.470 -5.445 5.451 1.00 32.42 C ATOM 1182 CD GLN A 782 -2.499 -6.571 6.468 1.00 4.10 C ATOM 1183 OE1 GLN A 782 -1.473 -7.410 6.455 1.00 1.13 O flip ATOM 1184 NE2 GLN A 782 -3.434 -6.687 7.259 1.00 0.12 N flip ATOM 0 H GLN A 782 -1.730 -5.662 2.783 1.00 40.24 H new ATOM 0 HA GLN A 782 -1.642 -3.182 4.124 1.00 25.45 H new ATOM 0 HB2 GLN A 782 -0.476 -5.905 4.824 1.00 10.01 H new ATOM 0 HB3 GLN A 782 -0.584 -4.559 5.942 1.00 10.01 H new ATOM 0 HG2 GLN A 782 -3.008 -4.586 5.853 1.00 32.42 H new ATOM 0 HG3 GLN A 782 -3.000 -5.761 4.552 1.00 32.42 H new ATOM 0 HE21 GLN A 782 -4.206 -6.021 7.238 1.00 0.12 H new ATOM 0 HE22 GLN A 782 -3.437 -7.450 7.936 1.00 0.12 H new ATOM 1193 N GLU A 783 1.271 -4.410 3.151 1.00 11.51 N ATOM 1194 CA GLU A 783 2.673 -4.085 2.907 1.00 64.44 C ATOM 1195 C GLU A 783 2.800 -2.914 1.940 1.00 41.32 C ATOM 1196 O GLU A 783 3.612 -2.008 2.152 1.00 24.32 O ATOM 1197 CB GLU A 783 3.410 -5.300 2.339 1.00 52.31 C ATOM 1198 CG GLU A 783 3.582 -6.441 3.328 1.00 31.41 C ATOM 1199 CD GLU A 783 4.534 -6.094 4.452 1.00 1.43 C ATOM 1200 OE1 GLU A 783 5.706 -5.781 4.160 1.00 5.43 O ATOM 1201 OE2 GLU A 783 4.122 -6.149 5.629 1.00 45.43 O ATOM 0 H GLU A 783 1.007 -5.352 2.863 1.00 11.51 H new ATOM 0 HA GLU A 783 3.122 -3.803 3.859 1.00 64.44 H new ATOM 0 HB2 GLU A 783 2.866 -5.667 1.469 1.00 52.31 H new ATOM 0 HB3 GLU A 783 4.393 -4.984 1.990 1.00 52.31 H new ATOM 0 HG2 GLU A 783 2.611 -6.704 3.747 1.00 31.41 H new ATOM 0 HG3 GLU A 783 3.951 -7.321 2.802 1.00 31.41 H new ATOM 1208 N ALA A 784 1.997 -2.942 0.881 1.00 34.33 N ATOM 1209 CA ALA A 784 2.018 -1.889 -0.123 1.00 11.30 C ATOM 1210 C ALA A 784 1.605 -0.556 0.482 1.00 64.50 C ATOM 1211 O ALA A 784 2.290 0.449 0.308 1.00 23.32 O ATOM 1212 CB ALA A 784 1.110 -2.241 -1.292 1.00 33.12 C ATOM 0 H ALA A 784 1.323 -3.685 0.698 1.00 34.33 H new ATOM 0 HA ALA A 784 3.039 -1.798 -0.493 1.00 11.30 H new ATOM 0 HB1 ALA A 784 1.141 -1.440 -2.031 1.00 33.12 H new ATOM 0 HB2 ALA A 784 1.450 -3.170 -1.750 1.00 33.12 H new ATOM 0 HB3 ALA A 784 0.088 -2.365 -0.934 1.00 33.12 H new ATOM 1218 N ALA A 785 0.497 -0.559 1.210 1.00 11.33 N ATOM 1219 CA ALA A 785 -0.017 0.658 1.820 1.00 51.40 C ATOM 1220 C ALA A 785 0.945 1.187 2.877 1.00 53.11 C ATOM 1221 O ALA A 785 1.191 2.390 2.957 1.00 20.55 O ATOM 1222 CB ALA A 785 -1.384 0.405 2.422 1.00 31.31 C ATOM 0 H ALA A 785 -0.063 -1.392 1.392 1.00 11.33 H new ATOM 0 HA ALA A 785 -0.112 1.417 1.043 1.00 51.40 H new ATOM 0 HB1 ALA A 785 -1.758 1.323 2.875 1.00 31.31 H new ATOM 0 HB2 ALA A 785 -2.071 0.080 1.641 1.00 31.31 H new ATOM 0 HB3 ALA A 785 -1.308 -0.371 3.184 1.00 31.31 H new ATOM 1228 N ASP A 786 1.493 0.275 3.678 1.00 74.42 N ATOM 1229 CA ASP A 786 2.453 0.634 4.718 1.00 14.44 C ATOM 1230 C ASP A 786 3.652 1.354 4.117 1.00 63.13 C ATOM 1231 O ASP A 786 4.039 2.430 4.571 1.00 4.21 O ATOM 1232 CB ASP A 786 2.914 -0.621 5.467 1.00 4.20 C ATOM 1233 CG ASP A 786 3.958 -0.330 6.529 1.00 22.21 C ATOM 1234 OD1 ASP A 786 5.163 -0.326 6.198 1.00 74.11 O ATOM 1235 OD2 ASP A 786 3.584 -0.127 7.703 1.00 33.41 O ATOM 0 H ASP A 786 1.287 -0.723 3.625 1.00 74.42 H new ATOM 0 HA ASP A 786 1.963 1.307 5.421 1.00 14.44 H new ATOM 0 HB2 ASP A 786 2.051 -1.095 5.934 1.00 4.20 H new ATOM 0 HB3 ASP A 786 3.322 -1.335 4.751 1.00 4.20 H new ATOM 1240 N ALA A 787 4.226 0.762 3.077 1.00 33.34 N ATOM 1241 CA ALA A 787 5.379 1.346 2.414 1.00 23.42 C ATOM 1242 C ALA A 787 5.001 2.641 1.701 1.00 14.31 C ATOM 1243 O ALA A 787 5.759 3.613 1.720 1.00 72.25 O ATOM 1244 CB ALA A 787 5.990 0.356 1.434 1.00 12.11 C ATOM 0 H ALA A 787 3.910 -0.121 2.677 1.00 33.34 H new ATOM 0 HA ALA A 787 6.122 1.583 3.175 1.00 23.42 H new ATOM 0 HB1 ALA A 787 6.852 0.811 0.947 1.00 12.11 H new ATOM 0 HB2 ALA A 787 6.306 -0.539 1.970 1.00 12.11 H new ATOM 0 HB3 ALA A 787 5.250 0.085 0.681 1.00 12.11 H new ATOM 1250 N ALA A 788 3.816 2.657 1.095 1.00 44.05 N ATOM 1251 CA ALA A 788 3.345 3.817 0.345 1.00 4.33 C ATOM 1252 C ALA A 788 3.217 5.042 1.239 1.00 53.34 C ATOM 1253 O ALA A 788 3.625 6.138 0.857 1.00 14.34 O ATOM 1254 CB ALA A 788 2.015 3.515 -0.327 1.00 43.02 C ATOM 0 H ALA A 788 3.162 1.875 1.110 1.00 44.05 H new ATOM 0 HA ALA A 788 4.086 4.037 -0.423 1.00 4.33 H new ATOM 0 HB1 ALA A 788 1.680 4.392 -0.881 1.00 43.02 H new ATOM 0 HB2 ALA A 788 2.136 2.676 -1.013 1.00 43.02 H new ATOM 0 HB3 ALA A 788 1.274 3.260 0.431 1.00 43.02 H new ATOM 1260 N LEU A 789 2.662 4.852 2.432 1.00 42.41 N ATOM 1261 CA LEU A 789 2.486 5.951 3.371 1.00 25.33 C ATOM 1262 C LEU A 789 3.829 6.569 3.721 1.00 32.31 C ATOM 1263 O LEU A 789 3.970 7.787 3.745 1.00 4.44 O ATOM 1264 CB LEU A 789 1.781 5.476 4.643 1.00 61.44 C ATOM 1265 CG LEU A 789 0.382 4.895 4.437 1.00 35.34 C ATOM 1266 CD1 LEU A 789 -0.281 4.612 5.775 1.00 1.54 C ATOM 1267 CD2 LEU A 789 -0.469 5.837 3.602 1.00 34.42 C ATOM 0 H LEU A 789 2.328 3.949 2.769 1.00 42.41 H new ATOM 0 HA LEU A 789 1.862 6.706 2.893 1.00 25.33 H new ATOM 0 HB2 LEU A 789 2.403 4.720 5.123 1.00 61.44 H new ATOM 0 HB3 LEU A 789 1.709 6.316 5.334 1.00 61.44 H new ATOM 0 HG LEU A 789 0.476 3.952 3.898 1.00 35.34 H new ATOM 0 HD11 LEU A 789 -1.276 4.199 5.608 1.00 1.54 H new ATOM 0 HD12 LEU A 789 0.320 3.895 6.335 1.00 1.54 H new ATOM 0 HD13 LEU A 789 -0.364 5.538 6.343 1.00 1.54 H new ATOM 0 HD21 LEU A 789 -1.461 5.407 3.466 1.00 34.42 H new ATOM 0 HD22 LEU A 789 -0.556 6.797 4.112 1.00 34.42 H new ATOM 0 HD23 LEU A 789 -0.001 5.984 2.629 1.00 34.42 H new ATOM 1279 N ARG A 790 4.821 5.718 3.964 1.00 72.24 N ATOM 1280 CA ARG A 790 6.166 6.172 4.279 1.00 62.24 C ATOM 1281 C ARG A 790 6.748 6.992 3.133 1.00 43.43 C ATOM 1282 O ARG A 790 7.500 7.942 3.356 1.00 10.02 O ATOM 1283 CB ARG A 790 7.039 4.966 4.573 1.00 62.12 C ATOM 1284 CG ARG A 790 6.443 4.064 5.633 1.00 53.24 C ATOM 1285 CD ARG A 790 7.198 2.765 5.736 1.00 24.24 C ATOM 1286 NE ARG A 790 6.633 1.887 6.757 1.00 72.34 N ATOM 1287 CZ ARG A 790 7.184 1.672 7.945 1.00 54.02 C ATOM 1288 NH1 ARG A 790 8.344 2.237 8.257 1.00 45.45 N ATOM 1289 NH2 ARG A 790 6.579 0.882 8.818 1.00 75.04 N ATOM 0 H ARG A 790 4.714 4.704 3.948 1.00 72.24 H new ATOM 0 HA ARG A 790 6.130 6.817 5.157 1.00 62.24 H new ATOM 0 HB2 ARG A 790 7.186 4.396 3.656 1.00 62.12 H new ATOM 0 HB3 ARG A 790 8.023 5.304 4.899 1.00 62.12 H new ATOM 0 HG2 ARG A 790 6.458 4.573 6.597 1.00 53.24 H new ATOM 0 HG3 ARG A 790 5.399 3.862 5.396 1.00 53.24 H new ATOM 0 HD2 ARG A 790 7.181 2.258 4.771 1.00 24.24 H new ATOM 0 HD3 ARG A 790 8.243 2.970 5.971 1.00 24.24 H new ATOM 0 HE ARG A 790 5.758 1.408 6.543 1.00 72.34 H new ATOM 0 HH11 ARG A 790 8.816 2.839 7.582 1.00 45.45 H new ATOM 0 HH12 ARG A 790 8.764 2.069 9.171 1.00 45.45 H new ATOM 0 HH21 ARG A 790 5.692 0.440 8.577 1.00 75.04 H new ATOM 0 HH22 ARG A 790 7.000 0.715 9.732 1.00 75.04 H new ATOM 1303 N VAL A 791 6.396 6.624 1.905 1.00 71.00 N ATOM 1304 CA VAL A 791 6.802 7.388 0.733 1.00 5.02 C ATOM 1305 C VAL A 791 6.163 8.771 0.767 1.00 15.44 C ATOM 1306 O VAL A 791 6.845 9.780 0.615 1.00 54.54 O ATOM 1307 CB VAL A 791 6.408 6.689 -0.587 1.00 41.53 C ATOM 1308 CG1 VAL A 791 6.889 7.492 -1.787 1.00 12.25 C ATOM 1309 CG2 VAL A 791 6.958 5.276 -0.639 1.00 51.24 C ATOM 0 H VAL A 791 5.830 5.801 1.697 1.00 71.00 H new ATOM 0 HA VAL A 791 7.889 7.467 0.765 1.00 5.02 H new ATOM 0 HB VAL A 791 5.320 6.632 -0.624 1.00 41.53 H new ATOM 0 HG11 VAL A 791 6.601 6.981 -2.706 1.00 12.25 H new ATOM 0 HG12 VAL A 791 6.437 8.484 -1.766 1.00 12.25 H new ATOM 0 HG13 VAL A 791 7.974 7.587 -1.750 1.00 12.25 H new ATOM 0 HG21 VAL A 791 6.666 4.806 -1.578 1.00 51.24 H new ATOM 0 HG22 VAL A 791 8.045 5.306 -0.571 1.00 51.24 H new ATOM 0 HG23 VAL A 791 6.558 4.699 0.195 1.00 51.24 H new ATOM 1319 N LEU A 792 4.854 8.799 0.990 1.00 61.44 N ATOM 1320 CA LEU A 792 4.093 10.046 1.026 1.00 32.30 C ATOM 1321 C LEU A 792 4.602 10.962 2.135 1.00 25.03 C ATOM 1322 O LEU A 792 4.899 12.138 1.902 1.00 24.44 O ATOM 1323 CB LEU A 792 2.610 9.744 1.249 1.00 21.25 C ATOM 1324 CG LEU A 792 2.028 8.655 0.350 1.00 72.25 C ATOM 1325 CD1 LEU A 792 0.584 8.373 0.722 1.00 55.53 C ATOM 1326 CD2 LEU A 792 2.142 9.048 -1.115 1.00 24.15 C ATOM 0 H LEU A 792 4.291 7.964 1.150 1.00 61.44 H new ATOM 0 HA LEU A 792 4.223 10.554 0.070 1.00 32.30 H new ATOM 0 HB2 LEU A 792 2.468 9.450 2.289 1.00 21.25 H new ATOM 0 HB3 LEU A 792 2.041 10.661 1.097 1.00 21.25 H new ATOM 0 HG LEU A 792 2.604 7.742 0.500 1.00 72.25 H new ATOM 0 HD11 LEU A 792 0.186 7.595 0.071 1.00 55.53 H new ATOM 0 HD12 LEU A 792 0.534 8.040 1.759 1.00 55.53 H new ATOM 0 HD13 LEU A 792 -0.006 9.282 0.604 1.00 55.53 H new ATOM 0 HD21 LEU A 792 1.721 8.258 -1.737 1.00 24.15 H new ATOM 0 HD22 LEU A 792 1.595 9.975 -1.287 1.00 24.15 H new ATOM 0 HD23 LEU A 792 3.191 9.193 -1.372 1.00 24.15 H new ATOM 1338 N ILE A 793 4.695 10.405 3.335 1.00 20.31 N ATOM 1339 CA ILE A 793 5.194 11.124 4.501 1.00 64.40 C ATOM 1340 C ILE A 793 6.613 11.642 4.265 1.00 10.34 C ATOM 1341 O ILE A 793 6.877 12.842 4.387 1.00 31.35 O ATOM 1342 CB ILE A 793 5.173 10.207 5.747 1.00 51.42 C ATOM 1343 CG1 ILE A 793 3.736 9.768 6.049 1.00 45.43 C ATOM 1344 CG2 ILE A 793 5.779 10.913 6.951 1.00 42.33 C ATOM 1345 CD1 ILE A 793 3.643 8.617 7.026 1.00 11.41 C ATOM 0 H ILE A 793 4.426 9.440 3.528 1.00 20.31 H new ATOM 0 HA ILE A 793 4.539 11.979 4.671 1.00 64.40 H new ATOM 0 HB ILE A 793 5.776 9.324 5.537 1.00 51.42 H new ATOM 0 HG12 ILE A 793 3.183 10.618 6.449 1.00 45.43 H new ATOM 0 HG13 ILE A 793 3.250 9.481 5.117 1.00 45.43 H new ATOM 0 HG21 ILE A 793 5.753 10.248 7.814 1.00 42.33 H new ATOM 0 HG22 ILE A 793 6.812 11.183 6.732 1.00 42.33 H new ATOM 0 HG23 ILE A 793 5.207 11.815 7.170 1.00 42.33 H new ATOM 0 HD11 ILE A 793 2.596 8.363 7.190 1.00 11.41 H new ATOM 0 HD12 ILE A 793 4.167 7.752 6.620 1.00 11.41 H new ATOM 0 HD13 ILE A 793 4.099 8.906 7.973 1.00 11.41 H new ATOM 1357 N GLY A 794 7.513 10.736 3.891 1.00 21.42 N ATOM 1358 CA GLY A 794 8.905 11.101 3.685 1.00 22.35 C ATOM 1359 C GLY A 794 9.094 12.074 2.537 1.00 52.40 C ATOM 1360 O GLY A 794 10.059 12.840 2.519 1.00 43.21 O ATOM 0 H GLY A 794 7.302 9.752 3.726 1.00 21.42 H new ATOM 0 HA2 GLY A 794 9.299 11.544 4.600 1.00 22.35 H new ATOM 0 HA3 GLY A 794 9.487 10.200 3.491 1.00 22.35 H new ATOM 1364 N GLU A 795 8.174 12.041 1.578 1.00 1.45 N ATOM 1365 CA GLU A 795 8.210 12.954 0.445 1.00 14.23 C ATOM 1366 C GLU A 795 7.961 14.382 0.920 1.00 13.22 C ATOM 1367 O GLU A 795 8.689 15.305 0.554 1.00 2.14 O ATOM 1368 CB GLU A 795 7.162 12.547 -0.596 1.00 12.42 C ATOM 1369 CG GLU A 795 7.210 13.358 -1.880 1.00 44.12 C ATOM 1370 CD GLU A 795 8.501 13.165 -2.650 1.00 52.10 C ATOM 1371 OE1 GLU A 795 8.569 12.244 -3.492 1.00 33.12 O ATOM 1372 OE2 GLU A 795 9.453 13.941 -2.423 1.00 13.24 O ATOM 0 H GLU A 795 7.391 11.387 1.565 1.00 1.45 H new ATOM 0 HA GLU A 795 9.195 12.905 -0.019 1.00 14.23 H new ATOM 0 HB2 GLU A 795 7.299 11.493 -0.840 1.00 12.42 H new ATOM 0 HB3 GLU A 795 6.170 12.646 -0.154 1.00 12.42 H new ATOM 0 HG2 GLU A 795 6.369 13.076 -2.514 1.00 44.12 H new ATOM 0 HG3 GLU A 795 7.089 14.415 -1.641 1.00 44.12 H new ATOM 1379 N ASN A 796 6.945 14.554 1.759 1.00 62.33 N ATOM 1380 CA ASN A 796 6.614 15.872 2.285 1.00 11.11 C ATOM 1381 C ASN A 796 7.714 16.369 3.203 1.00 75.44 C ATOM 1382 O ASN A 796 8.202 17.479 3.039 1.00 5.45 O ATOM 1383 CB ASN A 796 5.297 15.854 3.060 1.00 2.43 C ATOM 1384 CG ASN A 796 4.944 17.224 3.626 1.00 54.44 C ATOM 1385 OD1 ASN A 796 5.358 17.576 4.729 1.00 44.43 O ATOM 1386 ND2 ASN A 796 4.172 18.001 2.880 1.00 63.20 N ATOM 0 H ASN A 796 6.340 13.801 2.088 1.00 62.33 H new ATOM 0 HA ASN A 796 6.511 16.541 1.431 1.00 11.11 H new ATOM 0 HB2 ASN A 796 4.495 15.517 2.403 1.00 2.43 H new ATOM 0 HB3 ASN A 796 5.366 15.133 3.875 1.00 2.43 H new ATOM 0 HD21 ASN A 796 3.902 18.925 3.216 1.00 63.20 H new ATOM 0 HD22 ASN A 796 3.848 17.675 1.970 1.00 63.20 H new