USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 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= 0.986 K(o=1.2,f=-5.8!) USER MOD Set 1.2: A 779 GLN : amide:sc= 0.253 K(o=1.2,f=-2.9!) USER MOD Set 2.1: A 724 ASN : amide:sc= -0.037 X(o=0.11,f=0.15) USER MOD Set 2.2: A 725 THR OG1 : rot 77:sc= 0.148 USER MOD Single : A 722 TYR OH : rot -164:sc= 1.04 USER MOD Single : A 726 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.4) USER MOD Single : A 734 TYR OH : rot 180:sc=-0.00809 USER MOD Single : A 737 SER OG : rot -37:sc= 0.138 USER MOD Single : A 738 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.0068) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 750 SER OG : rot 89:sc= 1.24 USER MOD Single : A 754 HIS : no HD1:sc= -0.325 K(o=-0.32,f=-1.6) USER MOD Single : A 757 LYS NZ :NH3+ 143:sc= -1.68! (180deg=-4!) USER MOD Single : A 760 TYR OH : rot 180:sc= 0 USER MOD Single : A 761 GLN :FLIP amide:sc= -1.88! C(o=-2.6!,f=-1.9!) USER MOD Single : A 763 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 CYS SG : rot 49:sc= 0.0705 USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ -160:sc= -0.132 (180deg=-0.611) USER MOD Single : A 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 782 GLN : amide:sc= -2.23! C(o=-2.2!,f=-2.7!) USER MOD Single : A 796 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.809 14.850 7.604 1.00 74.10 N ATOM 148 CA ILE A 716 1.445 13.558 7.404 1.00 73.55 C ATOM 149 C ILE A 716 1.307 12.664 8.639 1.00 13.41 C ATOM 150 O ILE A 716 1.332 11.434 8.537 1.00 30.45 O ATOM 151 CB ILE A 716 2.933 13.750 7.039 1.00 72.53 C ATOM 152 CG1 ILE A 716 3.053 14.542 5.735 1.00 10.02 C ATOM 153 CG2 ILE A 716 3.651 12.420 6.916 1.00 54.23 C ATOM 154 CD1 ILE A 716 2.372 13.883 4.551 1.00 23.25 C ATOM 0 HA ILE A 716 0.937 13.058 6.579 1.00 73.55 H new ATOM 0 HB ILE A 716 3.409 14.309 7.844 1.00 72.53 H new ATOM 0 HG12 ILE A 716 2.624 15.533 5.883 1.00 10.02 H new ATOM 0 HG13 ILE A 716 4.109 14.683 5.503 1.00 10.02 H new ATOM 0 HG21 ILE A 716 4.696 12.593 6.658 1.00 54.23 H new ATOM 0 HG22 ILE A 716 3.595 11.887 7.865 1.00 54.23 H new ATOM 0 HG23 ILE A 716 3.179 11.823 6.136 1.00 54.23 H new ATOM 0 HD11 ILE A 716 2.501 14.504 3.665 1.00 23.25 H new ATOM 0 HD12 ILE A 716 2.816 12.903 4.375 1.00 23.25 H new ATOM 0 HD13 ILE A 716 1.309 13.767 4.761 1.00 23.25 H new ATOM 166 N GLY A 717 1.122 13.290 9.798 1.00 65.31 N ATOM 167 CA GLY A 717 0.982 12.548 11.041 1.00 54.24 C ATOM 168 C GLY A 717 -0.154 11.544 11.004 1.00 0.13 C ATOM 169 O GLY A 717 -0.084 10.494 11.647 1.00 4.40 O ATOM 0 H GLY A 717 1.066 14.303 9.899 1.00 65.31 H new ATOM 0 HA2 GLY A 717 1.915 12.026 11.254 1.00 54.24 H new ATOM 0 HA3 GLY A 717 0.815 13.248 11.859 1.00 54.24 H new ATOM 173 N GLU A 718 -1.197 11.855 10.238 1.00 52.24 N ATOM 174 CA GLU A 718 -2.343 10.965 10.115 1.00 1.31 C ATOM 175 C GLU A 718 -1.951 9.674 9.413 1.00 71.41 C ATOM 176 O GLU A 718 -2.361 8.589 9.818 1.00 73.30 O ATOM 177 CB GLU A 718 -3.480 11.645 9.353 1.00 5.42 C ATOM 178 CG GLU A 718 -4.028 12.875 10.052 1.00 42.45 C ATOM 179 CD GLU A 718 -4.380 12.609 11.499 1.00 55.01 C ATOM 180 OE1 GLU A 718 -5.147 11.668 11.768 1.00 32.25 O ATOM 181 OE2 GLU A 718 -3.875 13.330 12.378 1.00 30.21 O ATOM 0 H GLU A 718 -1.270 12.715 9.695 1.00 52.24 H new ATOM 0 HA GLU A 718 -2.689 10.727 11.121 1.00 1.31 H new ATOM 0 HB2 GLU A 718 -3.124 11.928 8.362 1.00 5.42 H new ATOM 0 HB3 GLU A 718 -4.289 10.929 9.208 1.00 5.42 H new ATOM 0 HG2 GLU A 718 -3.291 13.676 10.002 1.00 42.45 H new ATOM 0 HG3 GLU A 718 -4.915 13.224 9.524 1.00 42.45 H new ATOM 188 N LEU A 719 -1.132 9.791 8.375 1.00 63.22 N ATOM 189 CA LEU A 719 -0.708 8.626 7.608 1.00 65.43 C ATOM 190 C LEU A 719 0.135 7.704 8.483 1.00 12.02 C ATOM 191 O LEU A 719 0.047 6.481 8.384 1.00 14.21 O ATOM 192 CB LEU A 719 0.087 9.036 6.358 1.00 34.44 C ATOM 193 CG LEU A 719 -0.694 9.790 5.270 1.00 61.52 C ATOM 194 CD1 LEU A 719 -2.012 9.095 4.967 1.00 62.32 C ATOM 195 CD2 LEU A 719 -0.930 11.241 5.660 1.00 11.21 C ATOM 0 H LEU A 719 -0.749 10.677 8.046 1.00 63.22 H new ATOM 0 HA LEU A 719 -1.602 8.096 7.279 1.00 65.43 H new ATOM 0 HB2 LEU A 719 0.923 9.660 6.674 1.00 34.44 H new ATOM 0 HB3 LEU A 719 0.512 8.136 5.913 1.00 34.44 H new ATOM 0 HG LEU A 719 -0.086 9.782 4.365 1.00 61.52 H new ATOM 0 HD11 LEU A 719 -2.546 9.648 4.194 1.00 62.32 H new ATOM 0 HD12 LEU A 719 -1.817 8.081 4.618 1.00 62.32 H new ATOM 0 HD13 LEU A 719 -2.620 9.057 5.871 1.00 62.32 H new ATOM 0 HD21 LEU A 719 -1.485 11.745 4.869 1.00 11.21 H new ATOM 0 HD22 LEU A 719 -1.503 11.280 6.586 1.00 11.21 H new ATOM 0 HD23 LEU A 719 0.029 11.739 5.805 1.00 11.21 H new ATOM 207 N VAL A 720 0.936 8.307 9.356 1.00 53.54 N ATOM 208 CA VAL A 720 1.750 7.553 10.302 1.00 1.01 C ATOM 209 C VAL A 720 0.853 6.780 11.271 1.00 43.33 C ATOM 210 O VAL A 720 1.137 5.632 11.632 1.00 44.14 O ATOM 211 CB VAL A 720 2.689 8.483 11.103 1.00 53.43 C ATOM 212 CG1 VAL A 720 3.574 7.684 12.048 1.00 14.11 C ATOM 213 CG2 VAL A 720 3.535 9.333 10.167 1.00 4.31 C ATOM 0 H VAL A 720 1.039 9.319 9.428 1.00 53.54 H new ATOM 0 HA VAL A 720 2.361 6.855 9.730 1.00 1.01 H new ATOM 0 HB VAL A 720 2.068 9.148 11.703 1.00 53.43 H new ATOM 0 HG11 VAL A 720 4.225 8.363 12.599 1.00 14.11 H new ATOM 0 HG12 VAL A 720 2.950 7.130 12.750 1.00 14.11 H new ATOM 0 HG13 VAL A 720 4.182 6.985 11.473 1.00 14.11 H new ATOM 0 HG21 VAL A 720 4.188 9.980 10.753 1.00 4.31 H new ATOM 0 HG22 VAL A 720 4.140 8.684 9.534 1.00 4.31 H new ATOM 0 HG23 VAL A 720 2.884 9.945 9.543 1.00 4.31 H new ATOM 223 N ARG A 721 -0.255 7.404 11.656 1.00 30.01 N ATOM 224 CA ARG A 721 -1.205 6.780 12.566 1.00 44.03 C ATOM 225 C ARG A 721 -1.796 5.528 11.918 1.00 21.32 C ATOM 226 O ARG A 721 -2.121 4.552 12.593 1.00 11.44 O ATOM 227 CB ARG A 721 -2.307 7.783 12.959 1.00 23.43 C ATOM 228 CG ARG A 721 -3.697 7.422 12.459 1.00 24.51 C ATOM 229 CD ARG A 721 -4.733 8.461 12.854 1.00 40.41 C ATOM 230 NE ARG A 721 -6.088 7.932 12.719 1.00 12.31 N ATOM 231 CZ ARG A 721 -7.098 8.574 12.130 1.00 55.22 C ATOM 232 NH1 ARG A 721 -6.922 9.776 11.600 1.00 33.31 N ATOM 233 NH2 ARG A 721 -8.295 8.008 12.075 1.00 1.11 N ATOM 0 H ARG A 721 -0.516 8.342 11.351 1.00 30.01 H new ATOM 0 HA ARG A 721 -0.689 6.481 13.478 1.00 44.03 H new ATOM 0 HB2 ARG A 721 -2.336 7.864 14.046 1.00 23.43 H new ATOM 0 HB3 ARG A 721 -2.040 8.767 12.572 1.00 23.43 H new ATOM 0 HG2 ARG A 721 -3.678 7.324 11.374 1.00 24.51 H new ATOM 0 HG3 ARG A 721 -3.986 6.451 12.861 1.00 24.51 H new ATOM 0 HD2 ARG A 721 -4.563 8.775 13.884 1.00 40.41 H new ATOM 0 HD3 ARG A 721 -4.621 9.346 12.228 1.00 40.41 H new ATOM 0 HE ARG A 721 -6.275 7.006 13.103 1.00 12.31 H new ATOM 0 HH11 ARG A 721 -6.005 10.222 11.639 1.00 33.31 H new ATOM 0 HH12 ARG A 721 -7.703 10.255 11.153 1.00 33.31 H new ATOM 0 HH21 ARG A 721 -8.442 7.084 12.482 1.00 1.11 H new ATOM 0 HH22 ARG A 721 -9.070 8.496 11.625 1.00 1.11 H new ATOM 247 N TYR A 722 -1.893 5.551 10.594 1.00 32.11 N ATOM 248 CA TYR A 722 -2.418 4.419 9.849 1.00 12.51 C ATOM 249 C TYR A 722 -1.380 3.320 9.703 1.00 43.42 C ATOM 250 O TYR A 722 -1.731 2.158 9.547 1.00 45.42 O ATOM 251 CB TYR A 722 -2.939 4.864 8.488 1.00 64.32 C ATOM 252 CG TYR A 722 -4.219 5.650 8.600 1.00 61.44 C ATOM 253 CD1 TYR A 722 -5.353 5.061 9.138 1.00 74.42 C ATOM 254 CD2 TYR A 722 -4.293 6.971 8.190 1.00 24.03 C ATOM 255 CE1 TYR A 722 -6.526 5.767 9.272 1.00 31.22 C ATOM 256 CE2 TYR A 722 -5.470 7.687 8.313 1.00 34.15 C ATOM 257 CZ TYR A 722 -6.583 7.078 8.857 1.00 54.24 C ATOM 258 OH TYR A 722 -7.750 7.788 9.011 1.00 43.44 O ATOM 0 H TYR A 722 -1.614 6.344 10.016 1.00 32.11 H new ATOM 0 HA TYR A 722 -3.253 4.006 10.415 1.00 12.51 H new ATOM 0 HB2 TYR A 722 -2.183 5.473 7.992 1.00 64.32 H new ATOM 0 HB3 TYR A 722 -3.106 3.989 7.860 1.00 64.32 H new ATOM 0 HD1 TYR A 722 -5.315 4.030 9.457 1.00 74.42 H new ATOM 0 HD2 TYR A 722 -3.420 7.448 7.769 1.00 24.03 H new ATOM 0 HE1 TYR A 722 -7.398 5.295 9.701 1.00 31.22 H new ATOM 0 HE2 TYR A 722 -5.518 8.715 7.986 1.00 34.15 H new ATOM 0 HH TYR A 722 -7.719 8.593 8.453 1.00 43.44 H new ATOM 268 N LEU A 723 -0.107 3.684 9.768 1.00 34.11 N ATOM 269 CA LEU A 723 0.959 2.687 9.789 1.00 12.32 C ATOM 270 C LEU A 723 0.786 1.784 11.005 1.00 34.43 C ATOM 271 O LEU A 723 1.150 0.606 10.988 1.00 71.25 O ATOM 272 CB LEU A 723 2.331 3.359 9.829 1.00 34.42 C ATOM 273 CG LEU A 723 2.652 4.257 8.635 1.00 64.53 C ATOM 274 CD1 LEU A 723 3.984 4.956 8.843 1.00 60.32 C ATOM 275 CD2 LEU A 723 2.671 3.446 7.348 1.00 52.34 C ATOM 0 H LEU A 723 0.213 4.652 9.807 1.00 34.11 H new ATOM 0 HA LEU A 723 0.898 2.091 8.879 1.00 12.32 H new ATOM 0 HB2 LEU A 723 2.400 3.954 10.739 1.00 34.42 H new ATOM 0 HB3 LEU A 723 3.095 2.585 9.896 1.00 34.42 H new ATOM 0 HG LEU A 723 1.873 5.014 8.552 1.00 64.53 H new ATOM 0 HD11 LEU A 723 4.199 5.592 7.984 1.00 60.32 H new ATOM 0 HD12 LEU A 723 3.937 5.567 9.745 1.00 60.32 H new ATOM 0 HD13 LEU A 723 4.773 4.211 8.950 1.00 60.32 H new ATOM 0 HD21 LEU A 723 2.901 4.102 6.508 1.00 52.34 H new ATOM 0 HD22 LEU A 723 3.431 2.668 7.420 1.00 52.34 H new ATOM 0 HD23 LEU A 723 1.695 2.987 7.193 1.00 52.34 H new ATOM 287 N ASN A 724 0.228 2.358 12.063 1.00 73.13 N ATOM 288 CA ASN A 724 -0.112 1.600 13.262 1.00 23.21 C ATOM 289 C ASN A 724 -1.486 0.938 13.128 1.00 41.22 C ATOM 290 O ASN A 724 -1.611 -0.282 13.247 1.00 42.25 O ATOM 291 CB ASN A 724 -0.092 2.513 14.494 1.00 31.34 C ATOM 292 CG ASN A 724 -0.628 1.833 15.746 1.00 73.54 C ATOM 293 OD1 ASN A 724 0.109 1.155 16.463 1.00 4.11 O ATOM 294 ND2 ASN A 724 -1.907 2.036 16.033 1.00 30.33 N ATOM 0 H ASN A 724 0.000 3.351 12.116 1.00 73.13 H new ATOM 0 HA ASN A 724 0.636 0.816 13.384 1.00 23.21 H new ATOM 0 HB2 ASN A 724 0.930 2.845 14.677 1.00 31.34 H new ATOM 0 HB3 ASN A 724 -0.685 3.404 14.289 1.00 31.34 H new ATOM 0 HD21 ASN A 724 -2.313 1.624 16.873 1.00 30.33 H new ATOM 0 HD22 ASN A 724 -2.485 2.604 15.413 1.00 30.33 H new ATOM 301 N THR A 725 -2.507 1.745 12.866 1.00 32.12 N ATOM 302 CA THR A 725 -3.887 1.271 12.890 1.00 62.32 C ATOM 303 C THR A 725 -4.269 0.483 11.633 1.00 60.12 C ATOM 304 O THR A 725 -4.569 -0.709 11.712 1.00 3.13 O ATOM 305 CB THR A 725 -4.857 2.450 13.073 1.00 25.54 C ATOM 306 OG1 THR A 725 -4.443 3.241 14.193 1.00 21.31 O ATOM 307 CG2 THR A 725 -6.282 1.962 13.294 1.00 15.50 C ATOM 0 H THR A 725 -2.406 2.733 12.634 1.00 32.12 H new ATOM 0 HA THR A 725 -3.964 0.590 13.737 1.00 62.32 H new ATOM 0 HB THR A 725 -4.839 3.052 12.164 1.00 25.54 H new ATOM 0 HG1 THR A 725 -3.679 3.799 13.935 1.00 21.31 H new ATOM 0 HG21 THR A 725 -6.944 2.818 13.420 1.00 15.50 H new ATOM 0 HG22 THR A 725 -6.604 1.378 12.432 1.00 15.50 H new ATOM 0 HG23 THR A 725 -6.319 1.340 14.188 1.00 15.50 H new ATOM 315 N ASN A 726 -4.266 1.137 10.479 1.00 42.43 N ATOM 316 CA ASN A 726 -4.716 0.501 9.242 1.00 73.13 C ATOM 317 C ASN A 726 -4.174 1.237 8.024 1.00 55.01 C ATOM 318 O ASN A 726 -4.696 2.282 7.634 1.00 51.31 O ATOM 319 CB ASN A 726 -6.247 0.457 9.195 1.00 13.53 C ATOM 320 CG ASN A 726 -6.784 -0.100 7.887 1.00 44.11 C ATOM 321 OD1 ASN A 726 -6.144 -0.923 7.230 1.00 54.30 O ATOM 322 ND2 ASN A 726 -7.968 0.346 7.505 1.00 43.41 N ATOM 0 H ASN A 726 -3.959 2.104 10.371 1.00 42.43 H new ATOM 0 HA ASN A 726 -4.332 -0.519 9.224 1.00 73.13 H new ATOM 0 HB2 ASN A 726 -6.613 -0.153 10.021 1.00 13.53 H new ATOM 0 HB3 ASN A 726 -6.639 1.463 9.343 1.00 13.53 H new ATOM 0 HD21 ASN A 726 -8.384 0.009 6.637 1.00 43.41 H new ATOM 0 HD22 ASN A 726 -8.465 1.028 8.078 1.00 43.41 H new ATOM 329 N PRO A 727 -3.110 0.696 7.413 1.00 52.21 N ATOM 330 CA PRO A 727 -2.451 1.320 6.261 1.00 22.11 C ATOM 331 C PRO A 727 -3.379 1.438 5.057 1.00 35.31 C ATOM 332 O PRO A 727 -3.371 2.451 4.351 1.00 52.20 O ATOM 333 CB PRO A 727 -1.287 0.373 5.945 1.00 45.24 C ATOM 334 CG PRO A 727 -1.642 -0.921 6.596 1.00 71.01 C ATOM 335 CD PRO A 727 -2.456 -0.566 7.806 1.00 22.41 C ATOM 0 HA PRO A 727 -2.135 2.339 6.483 1.00 22.11 H new ATOM 0 HB2 PRO A 727 -1.161 0.250 4.869 1.00 45.24 H new ATOM 0 HB3 PRO A 727 -0.346 0.763 6.333 1.00 45.24 H new ATOM 0 HG2 PRO A 727 -2.210 -1.557 5.917 1.00 71.01 H new ATOM 0 HG3 PRO A 727 -0.746 -1.475 6.877 1.00 71.01 H new ATOM 0 HD2 PRO A 727 -3.185 -1.341 8.042 1.00 22.41 H new ATOM 0 HD3 PRO A 727 -1.830 -0.437 8.689 1.00 22.41 H new ATOM 343 N VAL A 728 -4.185 0.402 4.838 1.00 30.52 N ATOM 344 CA VAL A 728 -5.089 0.353 3.696 1.00 70.53 C ATOM 345 C VAL A 728 -6.074 1.516 3.730 1.00 25.12 C ATOM 346 O VAL A 728 -6.330 2.153 2.709 1.00 2.33 O ATOM 347 CB VAL A 728 -5.866 -0.983 3.647 1.00 30.21 C ATOM 348 CG1 VAL A 728 -6.712 -1.075 2.385 1.00 22.14 C ATOM 349 CG2 VAL A 728 -4.911 -2.163 3.738 1.00 5.53 C ATOM 0 H VAL A 728 -4.229 -0.419 5.442 1.00 30.52 H new ATOM 0 HA VAL A 728 -4.476 0.431 2.798 1.00 70.53 H new ATOM 0 HB VAL A 728 -6.536 -1.015 4.506 1.00 30.21 H new ATOM 0 HG11 VAL A 728 -7.248 -2.024 2.375 1.00 22.14 H new ATOM 0 HG12 VAL A 728 -7.428 -0.253 2.366 1.00 22.14 H new ATOM 0 HG13 VAL A 728 -6.066 -1.014 1.509 1.00 22.14 H new ATOM 0 HG21 VAL A 728 -5.478 -3.093 3.702 1.00 5.53 H new ATOM 0 HG22 VAL A 728 -4.212 -2.131 2.902 1.00 5.53 H new ATOM 0 HG23 VAL A 728 -4.357 -2.112 4.676 1.00 5.53 H new ATOM 359 N GLY A 729 -6.600 1.808 4.915 1.00 55.00 N ATOM 360 CA GLY A 729 -7.558 2.884 5.051 1.00 72.33 C ATOM 361 C GLY A 729 -6.942 4.232 4.743 1.00 31.34 C ATOM 362 O GLY A 729 -7.501 5.015 3.973 1.00 13.45 O ATOM 0 H GLY A 729 -6.379 1.318 5.782 1.00 55.00 H new ATOM 0 HA2 GLY A 729 -8.399 2.708 4.381 1.00 72.33 H new ATOM 0 HA3 GLY A 729 -7.955 2.890 6.066 1.00 72.33 H new ATOM 366 N GLY A 730 -5.774 4.485 5.320 1.00 24.33 N ATOM 367 CA GLY A 730 -5.118 5.769 5.153 1.00 21.54 C ATOM 368 C GLY A 730 -4.712 6.051 3.723 1.00 72.13 C ATOM 369 O GLY A 730 -4.838 7.178 3.256 1.00 11.15 O ATOM 0 H GLY A 730 -5.266 3.820 5.904 1.00 24.33 H new ATOM 0 HA2 GLY A 730 -5.787 6.558 5.496 1.00 21.54 H new ATOM 0 HA3 GLY A 730 -4.233 5.803 5.788 1.00 21.54 H new ATOM 373 N LEU A 731 -4.231 5.030 3.024 1.00 3.42 N ATOM 374 CA LEU A 731 -3.822 5.184 1.629 1.00 2.31 C ATOM 375 C LEU A 731 -5.022 5.604 0.778 1.00 53.12 C ATOM 376 O LEU A 731 -4.907 6.464 -0.096 1.00 44.20 O ATOM 377 CB LEU A 731 -3.200 3.867 1.121 1.00 31.24 C ATOM 378 CG LEU A 731 -2.470 3.923 -0.232 1.00 2.01 C ATOM 379 CD1 LEU A 731 -3.445 3.830 -1.394 1.00 21.33 C ATOM 380 CD2 LEU A 731 -1.637 5.193 -0.339 1.00 33.12 C ATOM 0 H LEU A 731 -4.114 4.088 3.397 1.00 3.42 H new ATOM 0 HA LEU A 731 -3.067 5.966 1.551 1.00 2.31 H new ATOM 0 HB2 LEU A 731 -2.496 3.511 1.873 1.00 31.24 H new ATOM 0 HB3 LEU A 731 -3.993 3.122 1.049 1.00 31.24 H new ATOM 0 HG LEU A 731 -1.804 3.061 -0.284 1.00 2.01 H new ATOM 0 HD11 LEU A 731 -2.895 3.873 -2.334 1.00 21.33 H new ATOM 0 HD12 LEU A 731 -3.992 2.889 -1.336 1.00 21.33 H new ATOM 0 HD13 LEU A 731 -4.148 4.662 -1.347 1.00 21.33 H new ATOM 0 HD21 LEU A 731 -1.128 5.214 -1.303 1.00 33.12 H new ATOM 0 HD22 LEU A 731 -2.288 6.063 -0.253 1.00 33.12 H new ATOM 0 HD23 LEU A 731 -0.898 5.212 0.462 1.00 33.12 H new ATOM 392 N LEU A 732 -6.175 5.018 1.072 1.00 10.44 N ATOM 393 CA LEU A 732 -7.398 5.326 0.344 1.00 24.34 C ATOM 394 C LEU A 732 -7.866 6.753 0.625 1.00 65.00 C ATOM 395 O LEU A 732 -8.178 7.505 -0.299 1.00 53.24 O ATOM 396 CB LEU A 732 -8.500 4.328 0.712 1.00 44.12 C ATOM 397 CG LEU A 732 -8.218 2.876 0.321 1.00 40.32 C ATOM 398 CD1 LEU A 732 -9.317 1.962 0.837 1.00 24.12 C ATOM 399 CD2 LEU A 732 -8.086 2.746 -1.188 1.00 51.51 C ATOM 0 H LEU A 732 -6.289 4.325 1.812 1.00 10.44 H new ATOM 0 HA LEU A 732 -7.184 5.244 -0.722 1.00 24.34 H new ATOM 0 HB2 LEU A 732 -8.664 4.373 1.789 1.00 44.12 H new ATOM 0 HB3 LEU A 732 -9.428 4.643 0.235 1.00 44.12 H new ATOM 0 HG LEU A 732 -7.275 2.575 0.778 1.00 40.32 H new ATOM 0 HD11 LEU A 732 -9.100 0.933 0.549 1.00 24.12 H new ATOM 0 HD12 LEU A 732 -9.368 2.032 1.924 1.00 24.12 H new ATOM 0 HD13 LEU A 732 -10.273 2.264 0.409 1.00 24.12 H new ATOM 0 HD21 LEU A 732 -7.886 1.706 -1.447 1.00 51.51 H new ATOM 0 HD22 LEU A 732 -9.013 3.066 -1.663 1.00 51.51 H new ATOM 0 HD23 LEU A 732 -7.264 3.372 -1.537 1.00 51.51 H new ATOM 411 N GLU A 733 -7.895 7.136 1.898 1.00 35.30 N ATOM 412 CA GLU A 733 -8.405 8.452 2.269 1.00 20.42 C ATOM 413 C GLU A 733 -7.413 9.553 1.935 1.00 54.12 C ATOM 414 O GLU A 733 -7.809 10.699 1.708 1.00 74.23 O ATOM 415 CB GLU A 733 -8.796 8.503 3.739 1.00 15.31 C ATOM 416 CG GLU A 733 -7.741 8.028 4.700 1.00 21.01 C ATOM 417 CD GLU A 733 -8.309 7.923 6.087 1.00 23.41 C ATOM 418 OE1 GLU A 733 -8.299 8.938 6.811 1.00 42.13 O ATOM 419 OE2 GLU A 733 -8.812 6.836 6.447 1.00 15.35 O ATOM 0 H GLU A 733 -7.576 6.564 2.680 1.00 35.30 H new ATOM 0 HA GLU A 733 -9.303 8.625 1.676 1.00 20.42 H new ATOM 0 HB2 GLU A 733 -9.060 9.530 3.993 1.00 15.31 H new ATOM 0 HB3 GLU A 733 -9.692 7.899 3.881 1.00 15.31 H new ATOM 0 HG2 GLU A 733 -7.359 7.058 4.381 1.00 21.01 H new ATOM 0 HG3 GLU A 733 -6.898 8.719 4.696 1.00 21.01 H new ATOM 426 N TYR A 734 -6.129 9.212 1.899 1.00 63.20 N ATOM 427 CA TYR A 734 -5.118 10.143 1.437 1.00 32.43 C ATOM 428 C TYR A 734 -5.459 10.598 0.027 1.00 55.02 C ATOM 429 O TYR A 734 -5.496 11.793 -0.258 1.00 14.34 O ATOM 430 CB TYR A 734 -3.729 9.495 1.464 1.00 43.22 C ATOM 431 CG TYR A 734 -2.722 10.190 0.576 1.00 40.35 C ATOM 432 CD1 TYR A 734 -2.029 11.313 1.007 1.00 33.34 C ATOM 433 CD2 TYR A 734 -2.478 9.719 -0.707 1.00 71.45 C ATOM 434 CE1 TYR A 734 -1.121 11.949 0.182 1.00 45.31 C ATOM 435 CE2 TYR A 734 -1.573 10.349 -1.540 1.00 74.23 C ATOM 436 CZ TYR A 734 -0.895 11.463 -1.089 1.00 31.25 C ATOM 437 OH TYR A 734 0.007 12.095 -1.916 1.00 63.12 O ATOM 0 H TYR A 734 -5.770 8.301 2.184 1.00 63.20 H new ATOM 0 HA TYR A 734 -5.101 11.006 2.103 1.00 32.43 H new ATOM 0 HB2 TYR A 734 -3.358 9.493 2.489 1.00 43.22 H new ATOM 0 HB3 TYR A 734 -3.817 8.453 1.155 1.00 43.22 H new ATOM 0 HD1 TYR A 734 -2.202 11.695 2.002 1.00 33.34 H new ATOM 0 HD2 TYR A 734 -3.005 8.845 -1.060 1.00 71.45 H new ATOM 0 HE1 TYR A 734 -0.591 12.823 0.531 1.00 45.31 H new ATOM 0 HE2 TYR A 734 -1.398 9.972 -2.537 1.00 74.23 H new ATOM 0 HH TYR A 734 0.048 11.625 -2.775 1.00 63.12 H new ATOM 447 N ALA A 735 -5.728 9.635 -0.843 1.00 65.31 N ATOM 448 CA ALA A 735 -6.093 9.934 -2.213 1.00 1.32 C ATOM 449 C ALA A 735 -7.414 10.689 -2.261 1.00 72.11 C ATOM 450 O ALA A 735 -7.526 11.713 -2.931 1.00 70.21 O ATOM 451 CB ALA A 735 -6.173 8.654 -3.027 1.00 54.24 C ATOM 0 H ALA A 735 -5.699 8.640 -0.620 1.00 65.31 H new ATOM 0 HA ALA A 735 -5.323 10.571 -2.648 1.00 1.32 H new ATOM 0 HB1 ALA A 735 -6.448 8.893 -4.054 1.00 54.24 H new ATOM 0 HB2 ALA A 735 -5.204 8.156 -3.017 1.00 54.24 H new ATOM 0 HB3 ALA A 735 -6.925 7.994 -2.594 1.00 54.24 H new ATOM 457 N ARG A 736 -8.392 10.202 -1.507 1.00 13.13 N ATOM 458 CA ARG A 736 -9.724 10.783 -1.473 1.00 42.51 C ATOM 459 C ARG A 736 -9.692 12.272 -1.113 1.00 64.21 C ATOM 460 O ARG A 736 -10.292 13.094 -1.804 1.00 60.55 O ATOM 461 CB ARG A 736 -10.577 9.984 -0.477 1.00 31.34 C ATOM 462 CG ARG A 736 -11.454 10.827 0.428 1.00 12.44 C ATOM 463 CD ARG A 736 -12.033 9.998 1.559 1.00 32.03 C ATOM 464 NE ARG A 736 -12.802 10.813 2.503 1.00 73.22 N ATOM 465 CZ ARG A 736 -12.599 10.818 3.822 1.00 2.32 C ATOM 466 NH1 ARG A 736 -11.697 10.007 4.364 1.00 72.34 N ATOM 467 NH2 ARG A 736 -13.322 11.616 4.601 1.00 70.24 N ATOM 0 H ARG A 736 -8.281 9.390 -0.900 1.00 13.13 H new ATOM 0 HA ARG A 736 -10.165 10.723 -2.468 1.00 42.51 H new ATOM 0 HB2 ARG A 736 -11.211 9.295 -1.034 1.00 31.34 H new ATOM 0 HB3 ARG A 736 -9.915 9.379 0.143 1.00 31.34 H new ATOM 0 HG2 ARG A 736 -10.871 11.651 0.839 1.00 12.44 H new ATOM 0 HG3 ARG A 736 -12.263 11.269 -0.154 1.00 12.44 H new ATOM 0 HD2 ARG A 736 -12.675 9.220 1.146 1.00 32.03 H new ATOM 0 HD3 ARG A 736 -11.225 9.495 2.090 1.00 32.03 H new ATOM 0 HE ARG A 736 -13.537 11.413 2.129 1.00 73.22 H new ATOM 0 HH11 ARG A 736 -11.156 9.377 3.771 1.00 72.34 H new ATOM 0 HH12 ARG A 736 -11.545 10.014 5.373 1.00 72.34 H new ATOM 0 HH21 ARG A 736 -14.031 12.224 4.191 1.00 70.24 H new ATOM 0 HH22 ARG A 736 -13.168 11.621 5.609 1.00 70.24 H new ATOM 481 N SER A 737 -8.970 12.617 -0.056 1.00 63.03 N ATOM 482 CA SER A 737 -8.957 13.987 0.440 1.00 64.52 C ATOM 483 C SER A 737 -7.992 14.858 -0.365 1.00 45.12 C ATOM 484 O SER A 737 -8.005 16.081 -0.248 1.00 14.41 O ATOM 485 CB SER A 737 -8.576 13.999 1.926 1.00 54.25 C ATOM 486 OG SER A 737 -8.721 15.291 2.497 1.00 13.32 O ATOM 0 H SER A 737 -8.387 11.969 0.474 1.00 63.03 H new ATOM 0 HA SER A 737 -9.957 14.404 0.323 1.00 64.52 H new ATOM 0 HB2 SER A 737 -9.202 13.290 2.468 1.00 54.25 H new ATOM 0 HB3 SER A 737 -7.545 13.665 2.040 1.00 54.25 H new ATOM 0 HG SER A 737 -8.448 15.969 1.845 1.00 13.32 H new ATOM 492 N HIS A 738 -7.161 14.232 -1.188 1.00 50.45 N ATOM 493 CA HIS A 738 -6.147 14.973 -1.934 1.00 33.31 C ATOM 494 C HIS A 738 -6.460 15.006 -3.424 1.00 31.40 C ATOM 495 O HIS A 738 -5.733 15.620 -4.202 1.00 71.23 O ATOM 496 CB HIS A 738 -4.754 14.383 -1.696 1.00 33.41 C ATOM 497 CG HIS A 738 -4.228 14.620 -0.307 1.00 33.45 C ATOM 498 ND1 HIS A 738 -2.902 14.869 -0.033 1.00 42.44 N ATOM 499 CD2 HIS A 738 -4.860 14.626 0.891 1.00 30.04 C ATOM 500 CE1 HIS A 738 -2.742 15.014 1.269 1.00 50.21 C ATOM 501 NE2 HIS A 738 -3.917 14.873 1.850 1.00 12.23 N ATOM 0 H HIS A 738 -7.166 13.226 -1.356 1.00 50.45 H new ATOM 0 HA HIS A 738 -6.159 15.999 -1.566 1.00 33.31 H new ATOM 0 HB2 HIS A 738 -4.786 13.310 -1.885 1.00 33.41 H new ATOM 0 HB3 HIS A 738 -4.059 14.813 -2.417 1.00 33.41 H new ATOM 0 HD2 HIS A 738 -5.915 14.465 1.058 1.00 30.04 H new ATOM 0 HE1 HIS A 738 -1.808 15.214 1.773 1.00 50.21 H new ATOM 0 HE2 HIS A 738 -4.094 14.938 2.852 1.00 12.23 H new ATOM 510 N GLY A 739 -7.535 14.337 -3.821 1.00 23.23 N ATOM 511 CA GLY A 739 -7.975 14.401 -5.203 1.00 62.13 C ATOM 512 C GLY A 739 -7.339 13.344 -6.083 1.00 74.32 C ATOM 513 O GLY A 739 -7.471 13.388 -7.305 1.00 71.24 O ATOM 0 H GLY A 739 -8.109 13.753 -3.213 1.00 23.23 H new ATOM 0 HA2 GLY A 739 -9.059 14.289 -5.238 1.00 62.13 H new ATOM 0 HA3 GLY A 739 -7.743 15.387 -5.606 1.00 62.13 H new ATOM 517 N PHE A 740 -6.647 12.393 -5.473 1.00 1.34 N ATOM 518 CA PHE A 740 -6.037 11.301 -6.220 1.00 44.42 C ATOM 519 C PHE A 740 -6.951 10.084 -6.222 1.00 23.41 C ATOM 520 O PHE A 740 -7.933 10.035 -5.482 1.00 43.22 O ATOM 521 CB PHE A 740 -4.680 10.924 -5.622 1.00 22.51 C ATOM 522 CG PHE A 740 -3.646 12.006 -5.731 1.00 64.34 C ATOM 523 CD1 PHE A 740 -2.913 12.160 -6.895 1.00 55.34 C ATOM 524 CD2 PHE A 740 -3.409 12.866 -4.674 1.00 14.11 C ATOM 525 CE1 PHE A 740 -1.959 13.153 -7.002 1.00 55.11 C ATOM 526 CE2 PHE A 740 -2.457 13.862 -4.772 1.00 23.11 C ATOM 527 CZ PHE A 740 -1.730 14.007 -5.938 1.00 40.42 C ATOM 0 H PHE A 740 -6.494 12.355 -4.465 1.00 1.34 H new ATOM 0 HA PHE A 740 -5.887 11.638 -7.246 1.00 44.42 H new ATOM 0 HB2 PHE A 740 -4.815 10.669 -4.571 1.00 22.51 H new ATOM 0 HB3 PHE A 740 -4.310 10.029 -6.122 1.00 22.51 H new ATOM 0 HD1 PHE A 740 -3.089 11.496 -7.729 1.00 55.34 H new ATOM 0 HD2 PHE A 740 -3.975 12.757 -3.761 1.00 14.11 H new ATOM 0 HE1 PHE A 740 -1.393 13.263 -7.915 1.00 55.11 H new ATOM 0 HE2 PHE A 740 -2.281 14.526 -3.939 1.00 23.11 H new ATOM 0 HZ PHE A 740 -0.985 14.785 -6.019 1.00 40.42 H new ATOM 537 N ALA A 741 -6.624 9.110 -7.052 1.00 60.12 N ATOM 538 CA ALA A 741 -7.370 7.863 -7.100 1.00 44.24 C ATOM 539 C ALA A 741 -6.492 6.712 -6.630 1.00 53.42 C ATOM 540 O ALA A 741 -5.492 6.386 -7.269 1.00 55.23 O ATOM 541 CB ALA A 741 -7.880 7.604 -8.511 1.00 15.42 C ATOM 0 H ALA A 741 -5.843 9.158 -7.706 1.00 60.12 H new ATOM 0 HA ALA A 741 -8.229 7.941 -6.434 1.00 44.24 H new ATOM 0 HB1 ALA A 741 -8.436 6.667 -8.530 1.00 15.42 H new ATOM 0 HB2 ALA A 741 -8.534 8.421 -8.817 1.00 15.42 H new ATOM 0 HB3 ALA A 741 -7.035 7.539 -9.197 1.00 15.42 H new ATOM 547 N ALA A 742 -6.860 6.115 -5.505 1.00 55.32 N ATOM 548 CA ALA A 742 -6.085 5.028 -4.926 1.00 64.42 C ATOM 549 C ALA A 742 -6.596 3.679 -5.411 1.00 11.33 C ATOM 550 O ALA A 742 -7.804 3.434 -5.412 1.00 14.13 O ATOM 551 CB ALA A 742 -6.133 5.096 -3.409 1.00 10.41 C ATOM 0 H ALA A 742 -7.694 6.367 -4.974 1.00 55.32 H new ATOM 0 HA ALA A 742 -5.050 5.137 -5.250 1.00 64.42 H new ATOM 0 HB1 ALA A 742 -5.549 4.277 -2.989 1.00 10.41 H new ATOM 0 HB2 ALA A 742 -5.718 6.047 -3.074 1.00 10.41 H new ATOM 0 HB3 ALA A 742 -7.167 5.013 -3.074 1.00 10.41 H new ATOM 557 N GLU A 743 -5.676 2.816 -5.823 1.00 21.02 N ATOM 558 CA GLU A 743 -6.023 1.492 -6.328 1.00 33.30 C ATOM 559 C GLU A 743 -4.971 0.461 -5.936 1.00 52.15 C ATOM 560 O GLU A 743 -3.824 0.807 -5.652 1.00 73.04 O ATOM 561 CB GLU A 743 -6.170 1.524 -7.852 1.00 73.40 C ATOM 562 CG GLU A 743 -7.541 1.977 -8.325 1.00 21.21 C ATOM 563 CD GLU A 743 -8.611 0.936 -8.072 1.00 54.34 C ATOM 564 OE1 GLU A 743 -8.830 0.080 -8.955 1.00 1.54 O ATOM 565 OE2 GLU A 743 -9.240 0.961 -6.991 1.00 20.04 O ATOM 0 H GLU A 743 -4.675 3.011 -5.817 1.00 21.02 H new ATOM 0 HA GLU A 743 -6.974 1.204 -5.880 1.00 33.30 H new ATOM 0 HB2 GLU A 743 -5.414 2.191 -8.267 1.00 73.40 H new ATOM 0 HB3 GLU A 743 -5.969 0.529 -8.248 1.00 73.40 H new ATOM 0 HG2 GLU A 743 -7.811 2.902 -7.816 1.00 21.21 H new ATOM 0 HG3 GLU A 743 -7.499 2.200 -9.391 1.00 21.21 H new ATOM 572 N PHE A 744 -5.376 -0.801 -5.924 1.00 54.33 N ATOM 573 CA PHE A 744 -4.480 -1.912 -5.617 1.00 62.11 C ATOM 574 C PHE A 744 -4.611 -2.990 -6.686 1.00 63.12 C ATOM 575 O PHE A 744 -5.723 -3.381 -7.046 1.00 43.13 O ATOM 576 CB PHE A 744 -4.812 -2.520 -4.249 1.00 31.15 C ATOM 577 CG PHE A 744 -4.568 -1.605 -3.083 1.00 72.43 C ATOM 578 CD1 PHE A 744 -5.539 -0.701 -2.678 1.00 72.41 C ATOM 579 CD2 PHE A 744 -3.374 -1.656 -2.386 1.00 61.22 C ATOM 580 CE1 PHE A 744 -5.318 0.135 -1.601 1.00 51.14 C ATOM 581 CE2 PHE A 744 -3.149 -0.824 -1.307 1.00 32.41 C ATOM 582 CZ PHE A 744 -4.123 0.074 -0.913 1.00 1.33 C ATOM 0 H PHE A 744 -6.334 -1.086 -6.126 1.00 54.33 H new ATOM 0 HA PHE A 744 -3.459 -1.530 -5.595 1.00 62.11 H new ATOM 0 HB2 PHE A 744 -5.859 -2.822 -4.245 1.00 31.15 H new ATOM 0 HB3 PHE A 744 -4.219 -3.425 -4.114 1.00 31.15 H new ATOM 0 HD1 PHE A 744 -6.477 -0.650 -3.210 1.00 72.41 H new ATOM 0 HD2 PHE A 744 -2.609 -2.355 -2.689 1.00 61.22 H new ATOM 0 HE1 PHE A 744 -6.081 0.837 -1.297 1.00 51.14 H new ATOM 0 HE2 PHE A 744 -2.213 -0.875 -0.771 1.00 32.41 H new ATOM 0 HZ PHE A 744 -3.950 0.726 -0.070 1.00 1.33 H new ATOM 592 N LYS A 745 -3.490 -3.471 -7.199 1.00 65.02 N ATOM 593 CA LYS A 745 -3.523 -4.541 -8.186 1.00 54.44 C ATOM 594 C LYS A 745 -2.470 -5.603 -7.902 1.00 12.54 C ATOM 595 O LYS A 745 -1.332 -5.292 -7.536 1.00 41.44 O ATOM 596 CB LYS A 745 -3.341 -3.996 -9.606 1.00 2.21 C ATOM 597 CG LYS A 745 -2.125 -3.098 -9.788 1.00 14.01 C ATOM 598 CD LYS A 745 -1.700 -3.032 -11.248 1.00 64.42 C ATOM 599 CE LYS A 745 -2.845 -2.587 -12.143 1.00 3.05 C ATOM 600 NZ LYS A 745 -2.473 -2.612 -13.582 1.00 51.10 N ATOM 0 H LYS A 745 -2.556 -3.143 -6.953 1.00 65.02 H new ATOM 0 HA LYS A 745 -4.507 -5.005 -8.112 1.00 54.44 H new ATOM 0 HB2 LYS A 745 -3.263 -4.836 -10.296 1.00 2.21 H new ATOM 0 HB3 LYS A 745 -4.234 -3.437 -9.884 1.00 2.21 H new ATOM 0 HG2 LYS A 745 -2.354 -2.095 -9.428 1.00 14.01 H new ATOM 0 HG3 LYS A 745 -1.299 -3.473 -9.183 1.00 14.01 H new ATOM 0 HD2 LYS A 745 -0.864 -2.340 -11.354 1.00 64.42 H new ATOM 0 HD3 LYS A 745 -1.345 -4.011 -11.569 1.00 64.42 H new ATOM 0 HE2 LYS A 745 -3.705 -3.236 -11.980 1.00 3.05 H new ATOM 0 HE3 LYS A 745 -3.150 -1.578 -11.866 1.00 3.05 H new ATOM 0 HZ1 LYS A 745 -3.283 -2.301 -14.155 1.00 51.10 H new ATOM 0 HZ2 LYS A 745 -1.669 -1.973 -13.744 1.00 51.10 H new ATOM 0 HZ3 LYS A 745 -2.207 -3.580 -13.855 1.00 51.10 H new ATOM 614 N LEU A 746 -2.868 -6.858 -8.057 1.00 52.15 N ATOM 615 CA LEU A 746 -1.949 -7.978 -7.950 1.00 12.02 C ATOM 616 C LEU A 746 -1.237 -8.144 -9.285 1.00 63.33 C ATOM 617 O LEU A 746 -1.833 -8.607 -10.258 1.00 52.41 O ATOM 618 CB LEU A 746 -2.720 -9.257 -7.582 1.00 51.44 C ATOM 619 CG LEU A 746 -1.899 -10.406 -6.974 1.00 41.12 C ATOM 620 CD1 LEU A 746 -2.828 -11.474 -6.419 1.00 42.43 C ATOM 621 CD2 LEU A 746 -0.958 -11.022 -7.997 1.00 75.15 C ATOM 0 H LEU A 746 -3.831 -7.126 -8.259 1.00 52.15 H new ATOM 0 HA LEU A 746 -1.215 -7.791 -7.166 1.00 12.02 H new ATOM 0 HB2 LEU A 746 -3.506 -8.989 -6.876 1.00 51.44 H new ATOM 0 HB3 LEU A 746 -3.212 -9.629 -8.481 1.00 51.44 H new ATOM 0 HG LEU A 746 -1.295 -9.992 -6.166 1.00 41.12 H new ATOM 0 HD11 LEU A 746 -2.237 -12.283 -5.991 1.00 42.43 H new ATOM 0 HD12 LEU A 746 -3.462 -11.039 -5.646 1.00 42.43 H new ATOM 0 HD13 LEU A 746 -3.452 -11.866 -7.222 1.00 42.43 H new ATOM 0 HD21 LEU A 746 -0.394 -11.831 -7.532 1.00 75.15 H new ATOM 0 HD22 LEU A 746 -1.537 -11.417 -8.832 1.00 75.15 H new ATOM 0 HD23 LEU A 746 -0.268 -10.261 -8.361 1.00 75.15 H new ATOM 633 N VAL A 747 0.022 -7.742 -9.335 1.00 51.10 N ATOM 634 CA VAL A 747 0.783 -7.776 -10.573 1.00 23.20 C ATOM 635 C VAL A 747 1.106 -9.212 -10.967 1.00 53.40 C ATOM 636 O VAL A 747 0.759 -9.662 -12.061 1.00 14.14 O ATOM 637 CB VAL A 747 2.096 -6.971 -10.452 1.00 34.44 C ATOM 638 CG1 VAL A 747 2.838 -6.944 -11.780 1.00 33.32 C ATOM 639 CG2 VAL A 747 1.815 -5.557 -9.966 1.00 40.53 C ATOM 0 H VAL A 747 0.540 -7.388 -8.531 1.00 51.10 H new ATOM 0 HA VAL A 747 0.164 -7.318 -11.345 1.00 23.20 H new ATOM 0 HB VAL A 747 2.732 -7.466 -9.718 1.00 34.44 H new ATOM 0 HG11 VAL A 747 3.759 -6.372 -11.671 1.00 33.32 H new ATOM 0 HG12 VAL A 747 3.078 -7.963 -12.084 1.00 33.32 H new ATOM 0 HG13 VAL A 747 2.209 -6.478 -12.539 1.00 33.32 H new ATOM 0 HG21 VAL A 747 2.752 -5.006 -9.887 1.00 40.53 H new ATOM 0 HG22 VAL A 747 1.156 -5.053 -10.674 1.00 40.53 H new ATOM 0 HG23 VAL A 747 1.335 -5.597 -8.988 1.00 40.53 H new ATOM 649 N ASP A 748 1.753 -9.931 -10.061 1.00 12.50 N ATOM 650 CA ASP A 748 2.153 -11.306 -10.323 1.00 13.14 C ATOM 651 C ASP A 748 2.293 -12.072 -9.017 1.00 43.04 C ATOM 652 O ASP A 748 2.547 -11.485 -7.971 1.00 73.11 O ATOM 653 CB ASP A 748 3.477 -11.342 -11.096 1.00 50.24 C ATOM 654 CG ASP A 748 3.939 -12.755 -11.412 1.00 13.24 C ATOM 655 OD1 ASP A 748 3.389 -13.372 -12.351 1.00 41.11 O ATOM 656 OD2 ASP A 748 4.855 -13.256 -10.729 1.00 64.14 O ATOM 0 H ASP A 748 2.012 -9.585 -9.137 1.00 12.50 H new ATOM 0 HA ASP A 748 1.381 -11.779 -10.930 1.00 13.14 H new ATOM 0 HB2 ASP A 748 3.364 -10.785 -12.026 1.00 50.24 H new ATOM 0 HB3 ASP A 748 4.246 -10.835 -10.513 1.00 50.24 H new ATOM 661 N GLN A 749 2.091 -13.371 -9.080 1.00 74.55 N ATOM 662 CA GLN A 749 2.314 -14.243 -7.944 1.00 42.02 C ATOM 663 C GLN A 749 3.093 -15.468 -8.406 1.00 2.21 C ATOM 664 O GLN A 749 2.673 -16.167 -9.329 1.00 52.44 O ATOM 665 CB GLN A 749 0.982 -14.645 -7.296 1.00 12.45 C ATOM 666 CG GLN A 749 0.011 -15.330 -8.243 1.00 11.05 C ATOM 667 CD GLN A 749 -1.288 -15.720 -7.570 1.00 62.20 C ATOM 668 OE1 GLN A 749 -2.257 -14.958 -7.569 1.00 44.12 O ATOM 669 NE2 GLN A 749 -1.313 -16.903 -6.982 1.00 62.12 N ATOM 0 H GLN A 749 1.768 -13.853 -9.919 1.00 74.55 H new ATOM 0 HA GLN A 749 2.895 -13.715 -7.188 1.00 42.02 H new ATOM 0 HB2 GLN A 749 1.185 -15.311 -6.457 1.00 12.45 H new ATOM 0 HB3 GLN A 749 0.506 -13.754 -6.887 1.00 12.45 H new ATOM 0 HG2 GLN A 749 -0.204 -14.665 -9.079 1.00 11.05 H new ATOM 0 HG3 GLN A 749 0.482 -16.221 -8.657 1.00 11.05 H new ATOM 0 HE21 GLN A 749 -0.488 -17.502 -7.007 1.00 62.12 H new ATOM 0 HE22 GLN A 749 -2.157 -17.217 -6.503 1.00 62.12 H new ATOM 678 N SER A 750 4.241 -15.706 -7.798 1.00 42.42 N ATOM 679 CA SER A 750 5.106 -16.799 -8.218 1.00 3.11 C ATOM 680 C SER A 750 5.844 -17.398 -7.027 1.00 31.35 C ATOM 681 O SER A 750 6.151 -16.698 -6.059 1.00 62.52 O ATOM 682 CB SER A 750 6.111 -16.304 -9.266 1.00 33.41 C ATOM 683 OG SER A 750 5.454 -15.830 -10.435 1.00 12.04 O ATOM 0 H SER A 750 4.597 -15.160 -7.014 1.00 42.42 H new ATOM 0 HA SER A 750 4.483 -17.576 -8.660 1.00 3.11 H new ATOM 0 HB2 SER A 750 6.719 -15.506 -8.840 1.00 33.41 H new ATOM 0 HB3 SER A 750 6.790 -17.114 -9.532 1.00 33.41 H new ATOM 0 HG SER A 750 5.245 -14.878 -10.330 1.00 12.04 H new ATOM 689 N GLY A 751 6.114 -18.693 -7.099 1.00 74.04 N ATOM 690 CA GLY A 751 6.850 -19.359 -6.046 1.00 23.02 C ATOM 691 C GLY A 751 6.291 -20.733 -5.739 1.00 52.02 C ATOM 692 O GLY A 751 5.359 -21.186 -6.409 1.00 44.32 O ATOM 0 H GLY A 751 5.835 -19.297 -7.872 1.00 74.04 H new ATOM 0 HA2 GLY A 751 7.896 -19.451 -6.338 1.00 23.02 H new ATOM 0 HA3 GLY A 751 6.824 -18.748 -5.144 1.00 23.02 H new ATOM 696 N PRO A 752 6.854 -21.435 -4.749 1.00 61.25 N ATOM 697 CA PRO A 752 6.349 -22.742 -4.315 1.00 23.42 C ATOM 698 C PRO A 752 5.017 -22.622 -3.566 1.00 35.01 C ATOM 699 O PRO A 752 4.614 -21.524 -3.180 1.00 11.14 O ATOM 700 CB PRO A 752 7.453 -23.258 -3.389 1.00 21.11 C ATOM 701 CG PRO A 752 8.132 -22.035 -2.883 1.00 73.34 C ATOM 702 CD PRO A 752 8.046 -21.019 -3.986 1.00 25.21 C ATOM 0 HA PRO A 752 6.142 -23.407 -5.154 1.00 23.42 H new ATOM 0 HB2 PRO A 752 7.039 -23.847 -2.571 1.00 21.11 H new ATOM 0 HB3 PRO A 752 8.149 -23.903 -3.925 1.00 21.11 H new ATOM 0 HG2 PRO A 752 7.648 -21.668 -1.978 1.00 73.34 H new ATOM 0 HG3 PRO A 752 9.171 -22.244 -2.627 1.00 73.34 H new ATOM 0 HD2 PRO A 752 7.937 -20.008 -3.592 1.00 25.21 H new ATOM 0 HD3 PRO A 752 8.942 -21.025 -4.607 1.00 25.21 H new ATOM 710 N PRO A 753 4.309 -23.746 -3.351 1.00 40.51 N ATOM 711 CA PRO A 753 3.009 -23.746 -2.667 1.00 4.50 C ATOM 712 C PRO A 753 3.104 -23.283 -1.212 1.00 44.12 C ATOM 713 O PRO A 753 2.202 -22.624 -0.697 1.00 22.53 O ATOM 714 CB PRO A 753 2.563 -25.210 -2.727 1.00 42.10 C ATOM 715 CG PRO A 753 3.811 -25.990 -2.961 1.00 31.11 C ATOM 716 CD PRO A 753 4.706 -25.102 -3.774 1.00 55.14 C ATOM 0 HA PRO A 753 2.313 -23.053 -3.140 1.00 4.50 H new ATOM 0 HB2 PRO A 753 2.078 -25.512 -1.799 1.00 42.10 H new ATOM 0 HB3 PRO A 753 1.843 -25.370 -3.529 1.00 42.10 H new ATOM 0 HG2 PRO A 753 4.284 -26.262 -2.017 1.00 31.11 H new ATOM 0 HG3 PRO A 753 3.597 -26.919 -3.490 1.00 31.11 H new ATOM 0 HD2 PRO A 753 5.759 -25.296 -3.569 1.00 55.14 H new ATOM 0 HD3 PRO A 753 4.557 -25.250 -4.843 1.00 55.14 H new ATOM 724 N HIS A 754 4.206 -23.625 -0.556 1.00 45.32 N ATOM 725 CA HIS A 754 4.404 -23.269 0.846 1.00 2.14 C ATOM 726 C HIS A 754 4.969 -21.859 0.979 1.00 1.35 C ATOM 727 O HIS A 754 5.076 -21.320 2.083 1.00 14.31 O ATOM 728 CB HIS A 754 5.340 -24.277 1.519 1.00 44.31 C ATOM 729 CG HIS A 754 6.711 -24.335 0.911 1.00 35.21 C ATOM 730 ND1 HIS A 754 6.962 -25.084 -0.212 1.00 25.30 N ATOM 731 CD2 HIS A 754 7.857 -23.734 1.306 1.00 0.14 C ATOM 732 CE1 HIS A 754 8.249 -24.925 -0.471 1.00 43.14 C ATOM 733 NE2 HIS A 754 8.831 -24.116 0.421 1.00 70.11 N ATOM 0 H HIS A 754 4.977 -24.148 -0.971 1.00 45.32 H new ATOM 0 HA HIS A 754 3.434 -23.295 1.343 1.00 2.14 H new ATOM 0 HB2 HIS A 754 5.432 -24.023 2.575 1.00 44.31 H new ATOM 0 HB3 HIS A 754 4.888 -25.268 1.467 1.00 44.31 H new ATOM 0 HD2 HIS A 754 7.980 -23.079 2.156 1.00 0.14 H new ATOM 0 HE1 HIS A 754 8.765 -25.390 -1.298 1.00 43.14 H new ATOM 0 HE2 HIS A 754 9.812 -23.837 0.439 1.00 70.11 H new ATOM 741 N GLU A 755 5.321 -21.264 -0.148 1.00 53.13 N ATOM 742 CA GLU A 755 5.898 -19.932 -0.154 1.00 24.34 C ATOM 743 C GLU A 755 5.373 -19.141 -1.352 1.00 11.41 C ATOM 744 O GLU A 755 6.109 -18.878 -2.306 1.00 2.11 O ATOM 745 CB GLU A 755 7.428 -20.032 -0.203 1.00 34.03 C ATOM 746 CG GLU A 755 8.146 -19.116 0.776 1.00 14.24 C ATOM 747 CD GLU A 755 7.852 -17.651 0.542 1.00 33.21 C ATOM 748 OE1 GLU A 755 8.485 -17.048 -0.352 1.00 73.51 O ATOM 749 OE2 GLU A 755 6.996 -17.097 1.257 1.00 40.15 O ATOM 0 H GLU A 755 5.217 -21.684 -1.072 1.00 53.13 H new ATOM 0 HA GLU A 755 5.610 -19.409 0.758 1.00 24.34 H new ATOM 0 HB2 GLU A 755 7.720 -21.062 0.000 1.00 34.03 H new ATOM 0 HB3 GLU A 755 7.764 -19.799 -1.214 1.00 34.03 H new ATOM 0 HG2 GLU A 755 7.855 -19.381 1.793 1.00 14.24 H new ATOM 0 HG3 GLU A 755 9.221 -19.282 0.698 1.00 14.24 H new ATOM 756 N PRO A 756 4.079 -18.788 -1.341 1.00 54.43 N ATOM 757 CA PRO A 756 3.468 -18.028 -2.423 1.00 35.03 C ATOM 758 C PRO A 756 3.781 -16.540 -2.321 1.00 54.24 C ATOM 759 O PRO A 756 3.298 -15.849 -1.427 1.00 32.22 O ATOM 760 CB PRO A 756 1.975 -18.291 -2.236 1.00 71.54 C ATOM 761 CG PRO A 756 1.807 -18.537 -0.775 1.00 64.52 C ATOM 762 CD PRO A 756 3.109 -19.109 -0.274 1.00 2.43 C ATOM 0 HA PRO A 756 3.839 -18.325 -3.404 1.00 35.03 H new ATOM 0 HB2 PRO A 756 1.380 -17.439 -2.564 1.00 71.54 H new ATOM 0 HB3 PRO A 756 1.649 -19.151 -2.821 1.00 71.54 H new ATOM 0 HG2 PRO A 756 1.566 -17.611 -0.253 1.00 64.52 H new ATOM 0 HG3 PRO A 756 0.985 -19.229 -0.592 1.00 64.52 H new ATOM 0 HD2 PRO A 756 3.401 -18.663 0.677 1.00 2.43 H new ATOM 0 HD3 PRO A 756 3.036 -20.184 -0.112 1.00 2.43 H new ATOM 770 N LYS A 757 4.608 -16.051 -3.227 1.00 13.20 N ATOM 771 CA LYS A 757 5.002 -14.656 -3.202 1.00 45.10 C ATOM 772 C LYS A 757 4.094 -13.827 -4.101 1.00 41.32 C ATOM 773 O LYS A 757 4.092 -13.981 -5.324 1.00 0.12 O ATOM 774 CB LYS A 757 6.465 -14.510 -3.618 1.00 63.25 C ATOM 775 CG LYS A 757 6.972 -13.080 -3.571 1.00 73.33 C ATOM 776 CD LYS A 757 8.475 -12.995 -3.798 1.00 52.12 C ATOM 777 CE LYS A 757 9.272 -13.429 -2.570 1.00 55.54 C ATOM 778 NZ LYS A 757 9.268 -14.903 -2.368 1.00 52.34 N ATOM 0 H LYS A 757 5.018 -16.597 -3.985 1.00 13.20 H new ATOM 0 HA LYS A 757 4.898 -14.283 -2.183 1.00 45.10 H new ATOM 0 HB2 LYS A 757 7.083 -15.127 -2.965 1.00 63.25 H new ATOM 0 HB3 LYS A 757 6.586 -14.896 -4.630 1.00 63.25 H new ATOM 0 HG2 LYS A 757 6.458 -12.489 -4.329 1.00 73.33 H new ATOM 0 HG3 LYS A 757 6.727 -12.641 -2.604 1.00 73.33 H new ATOM 0 HD2 LYS A 757 8.748 -13.623 -4.646 1.00 52.12 H new ATOM 0 HD3 LYS A 757 8.743 -11.971 -4.059 1.00 52.12 H new ATOM 0 HE2 LYS A 757 10.301 -13.084 -2.671 1.00 55.54 H new ATOM 0 HE3 LYS A 757 8.859 -12.945 -1.685 1.00 55.54 H new ATOM 0 HZ1 LYS A 757 10.197 -15.207 -2.014 1.00 52.34 H new ATOM 0 HZ2 LYS A 757 8.534 -15.157 -1.676 1.00 52.34 H new ATOM 0 HZ3 LYS A 757 9.070 -15.377 -3.272 1.00 52.34 H new ATOM 792 N PHE A 758 3.316 -12.956 -3.474 1.00 75.14 N ATOM 793 CA PHE A 758 2.371 -12.107 -4.183 1.00 5.30 C ATOM 794 C PHE A 758 2.955 -10.717 -4.388 1.00 50.34 C ATOM 795 O PHE A 758 3.275 -10.018 -3.424 1.00 73.32 O ATOM 796 CB PHE A 758 1.054 -11.997 -3.408 1.00 21.14 C ATOM 797 CG PHE A 758 0.324 -13.302 -3.253 1.00 52.44 C ATOM 798 CD1 PHE A 758 0.637 -14.166 -2.218 1.00 24.13 C ATOM 799 CD2 PHE A 758 -0.679 -13.657 -4.138 1.00 71.15 C ATOM 800 CE1 PHE A 758 -0.036 -15.362 -2.070 1.00 75.32 C ATOM 801 CE2 PHE A 758 -1.356 -14.852 -3.996 1.00 11.33 C ATOM 802 CZ PHE A 758 -1.034 -15.706 -2.960 1.00 21.34 C ATOM 0 H PHE A 758 3.322 -12.819 -2.463 1.00 75.14 H new ATOM 0 HA PHE A 758 2.174 -12.561 -5.154 1.00 5.30 H new ATOM 0 HB2 PHE A 758 1.260 -11.588 -2.419 1.00 21.14 H new ATOM 0 HB3 PHE A 758 0.403 -11.287 -3.918 1.00 21.14 H new ATOM 0 HD1 PHE A 758 1.416 -13.902 -1.519 1.00 24.13 H new ATOM 0 HD2 PHE A 758 -0.935 -12.992 -4.949 1.00 71.15 H new ATOM 0 HE1 PHE A 758 0.218 -16.028 -1.259 1.00 75.32 H new ATOM 0 HE2 PHE A 758 -2.136 -15.118 -4.694 1.00 11.33 H new ATOM 0 HZ PHE A 758 -1.562 -16.641 -2.846 1.00 21.34 H new ATOM 812 N VAL A 759 3.098 -10.324 -5.640 1.00 72.22 N ATOM 813 CA VAL A 759 3.620 -9.012 -5.978 1.00 74.30 C ATOM 814 C VAL A 759 2.473 -8.026 -6.148 1.00 51.05 C ATOM 815 O VAL A 759 1.743 -8.069 -7.142 1.00 51.30 O ATOM 816 CB VAL A 759 4.455 -9.046 -7.277 1.00 30.41 C ATOM 817 CG1 VAL A 759 5.188 -7.730 -7.483 1.00 0.04 C ATOM 818 CG2 VAL A 759 5.431 -10.216 -7.263 1.00 63.30 C ATOM 0 H VAL A 759 2.858 -10.900 -6.447 1.00 72.22 H new ATOM 0 HA VAL A 759 4.269 -8.697 -5.161 1.00 74.30 H new ATOM 0 HB VAL A 759 3.772 -9.186 -8.115 1.00 30.41 H new ATOM 0 HG11 VAL A 759 5.769 -7.778 -8.404 1.00 0.04 H new ATOM 0 HG12 VAL A 759 4.465 -6.918 -7.552 1.00 0.04 H new ATOM 0 HG13 VAL A 759 5.856 -7.550 -6.641 1.00 0.04 H new ATOM 0 HG21 VAL A 759 6.008 -10.220 -8.188 1.00 63.30 H new ATOM 0 HG22 VAL A 759 6.107 -10.116 -6.414 1.00 63.30 H new ATOM 0 HG23 VAL A 759 4.877 -11.151 -7.177 1.00 63.30 H new ATOM 828 N TYR A 760 2.310 -7.154 -5.170 1.00 64.42 N ATOM 829 CA TYR A 760 1.251 -6.160 -5.196 1.00 54.11 C ATOM 830 C TYR A 760 1.822 -4.772 -5.427 1.00 31.51 C ATOM 831 O TYR A 760 2.892 -4.435 -4.917 1.00 45.22 O ATOM 832 CB TYR A 760 0.458 -6.179 -3.888 1.00 62.34 C ATOM 833 CG TYR A 760 -0.891 -6.846 -4.012 1.00 50.40 C ATOM 834 CD1 TYR A 760 -1.035 -8.213 -3.828 1.00 45.04 C ATOM 835 CD2 TYR A 760 -2.022 -6.101 -4.320 1.00 30.53 C ATOM 836 CE1 TYR A 760 -2.269 -8.821 -3.948 1.00 12.53 C ATOM 837 CE2 TYR A 760 -3.259 -6.700 -4.439 1.00 22.24 C ATOM 838 CZ TYR A 760 -3.380 -8.060 -4.253 1.00 72.53 C ATOM 839 OH TYR A 760 -4.613 -8.661 -4.382 1.00 4.14 O ATOM 0 H TYR A 760 2.903 -7.114 -4.341 1.00 64.42 H new ATOM 0 HA TYR A 760 0.581 -6.408 -6.019 1.00 54.11 H new ATOM 0 HB2 TYR A 760 1.041 -6.696 -3.126 1.00 62.34 H new ATOM 0 HB3 TYR A 760 0.318 -5.155 -3.542 1.00 62.34 H new ATOM 0 HD1 TYR A 760 -0.169 -8.811 -3.587 1.00 45.04 H new ATOM 0 HD2 TYR A 760 -1.932 -5.035 -4.469 1.00 30.53 H new ATOM 0 HE1 TYR A 760 -2.365 -9.887 -3.804 1.00 12.53 H new ATOM 0 HE2 TYR A 760 -4.129 -6.106 -4.677 1.00 22.24 H new ATOM 0 HH TYR A 760 -5.287 -7.983 -4.597 1.00 4.14 H new ATOM 849 N GLN A 761 1.107 -3.980 -6.202 1.00 1.44 N ATOM 850 CA GLN A 761 1.500 -2.606 -6.448 1.00 54.40 C ATOM 851 C GLN A 761 0.293 -1.696 -6.299 1.00 2.23 C ATOM 852 O GLN A 761 -0.803 -2.015 -6.768 1.00 22.13 O ATOM 853 CB GLN A 761 2.116 -2.462 -7.840 1.00 45.23 C ATOM 854 CG GLN A 761 2.600 -1.056 -8.156 1.00 53.43 C ATOM 855 CD GLN A 761 3.382 -0.994 -9.450 1.00 42.32 C ATOM 856 OE1 GLN A 761 4.695 -1.146 -9.354 1.00 34.43 O flip ATOM 857 NE2 GLN A 761 2.816 -0.803 -10.525 1.00 73.44 N flip ATOM 0 H GLN A 761 0.249 -4.265 -6.673 1.00 1.44 H new ATOM 0 HA GLN A 761 2.254 -2.317 -5.716 1.00 54.40 H new ATOM 0 HB2 GLN A 761 2.954 -3.153 -7.929 1.00 45.23 H new ATOM 0 HB3 GLN A 761 1.378 -2.758 -8.586 1.00 45.23 H new ATOM 0 HG2 GLN A 761 1.743 -0.385 -8.220 1.00 53.43 H new ATOM 0 HG3 GLN A 761 3.226 -0.697 -7.339 1.00 53.43 H new ATOM 0 HE21 GLN A 761 1.803 -0.691 -10.555 1.00 73.44 H new ATOM 0 HE22 GLN A 761 3.360 -0.757 -11.387 1.00 73.44 H new ATOM 866 N ALA A 762 0.495 -0.579 -5.623 1.00 73.54 N ATOM 867 CA ALA A 762 -0.573 0.378 -5.407 1.00 14.15 C ATOM 868 C ALA A 762 -0.506 1.491 -6.441 1.00 11.34 C ATOM 869 O ALA A 762 0.572 1.850 -6.914 1.00 12.22 O ATOM 870 CB ALA A 762 -0.499 0.946 -3.997 1.00 11.12 C ATOM 0 H ALA A 762 1.391 -0.313 -5.214 1.00 73.54 H new ATOM 0 HA ALA A 762 -1.528 -0.135 -5.519 1.00 14.15 H new ATOM 0 HB1 ALA A 762 -1.307 1.663 -3.851 1.00 11.12 H new ATOM 0 HB2 ALA A 762 -0.596 0.137 -3.273 1.00 11.12 H new ATOM 0 HB3 ALA A 762 0.459 1.446 -3.856 1.00 11.12 H new ATOM 876 N LYS A 763 -1.659 2.012 -6.805 1.00 12.31 N ATOM 877 CA LYS A 763 -1.740 3.104 -7.751 1.00 52.03 C ATOM 878 C LYS A 763 -2.375 4.308 -7.075 1.00 73.05 C ATOM 879 O LYS A 763 -3.437 4.193 -6.468 1.00 10.43 O ATOM 880 CB LYS A 763 -2.574 2.699 -8.969 1.00 21.53 C ATOM 881 CG LYS A 763 -2.507 3.706 -10.105 1.00 32.11 C ATOM 882 CD LYS A 763 -3.612 3.484 -11.121 1.00 73.32 C ATOM 883 CE LYS A 763 -3.384 4.313 -12.373 1.00 54.34 C ATOM 884 NZ LYS A 763 -4.567 4.310 -13.270 1.00 40.12 N ATOM 0 H LYS A 763 -2.562 1.692 -6.455 1.00 12.31 H new ATOM 0 HA LYS A 763 -0.734 3.356 -8.087 1.00 52.03 H new ATOM 0 HB2 LYS A 763 -2.229 1.730 -9.331 1.00 21.53 H new ATOM 0 HB3 LYS A 763 -3.613 2.574 -8.664 1.00 21.53 H new ATOM 0 HG2 LYS A 763 -2.582 4.715 -9.701 1.00 32.11 H new ATOM 0 HG3 LYS A 763 -1.538 3.632 -10.599 1.00 32.11 H new ATOM 0 HD2 LYS A 763 -3.659 2.428 -11.385 1.00 73.32 H new ATOM 0 HD3 LYS A 763 -4.573 3.745 -10.679 1.00 73.32 H new ATOM 0 HE2 LYS A 763 -3.147 5.339 -12.090 1.00 54.34 H new ATOM 0 HE3 LYS A 763 -2.520 3.924 -12.912 1.00 54.34 H new ATOM 0 HZ1 LYS A 763 -4.366 4.888 -14.111 1.00 40.12 H new ATOM 0 HZ2 LYS A 763 -4.778 3.335 -13.563 1.00 40.12 H new ATOM 0 HZ3 LYS A 763 -5.386 4.705 -12.766 1.00 40.12 H new ATOM 898 N VAL A 764 -1.720 5.449 -7.157 1.00 43.45 N ATOM 899 CA VAL A 764 -2.254 6.670 -6.578 1.00 54.54 C ATOM 900 C VAL A 764 -2.267 7.775 -7.623 1.00 60.14 C ATOM 901 O VAL A 764 -1.230 8.360 -7.946 1.00 41.22 O ATOM 902 CB VAL A 764 -1.456 7.116 -5.334 1.00 2.43 C ATOM 903 CG1 VAL A 764 -2.034 8.395 -4.748 1.00 4.51 C ATOM 904 CG2 VAL A 764 -1.446 6.009 -4.290 1.00 15.14 C ATOM 0 H VAL A 764 -0.817 5.558 -7.619 1.00 43.45 H new ATOM 0 HA VAL A 764 -3.274 6.466 -6.252 1.00 54.54 H new ATOM 0 HB VAL A 764 -0.430 7.318 -5.640 1.00 2.43 H new ATOM 0 HG11 VAL A 764 -1.454 8.689 -3.873 1.00 4.51 H new ATOM 0 HG12 VAL A 764 -1.992 9.189 -5.494 1.00 4.51 H new ATOM 0 HG13 VAL A 764 -3.071 8.226 -4.457 1.00 4.51 H new ATOM 0 HG21 VAL A 764 -0.880 6.336 -3.418 1.00 15.14 H new ATOM 0 HG22 VAL A 764 -2.469 5.780 -3.993 1.00 15.14 H new ATOM 0 HG23 VAL A 764 -0.981 5.117 -4.710 1.00 15.14 H new ATOM 914 N GLY A 765 -3.446 8.027 -8.170 1.00 72.14 N ATOM 915 CA GLY A 765 -3.582 8.999 -9.232 1.00 52.22 C ATOM 916 C GLY A 765 -3.087 8.439 -10.543 1.00 20.42 C ATOM 917 O GLY A 765 -3.774 7.642 -11.187 1.00 2.11 O ATOM 0 H GLY A 765 -4.316 7.572 -7.894 1.00 72.14 H new ATOM 0 HA2 GLY A 765 -4.627 9.293 -9.329 1.00 52.22 H new ATOM 0 HA3 GLY A 765 -3.020 9.898 -8.981 1.00 52.22 H new ATOM 921 N GLY A 766 -1.889 8.838 -10.926 1.00 51.34 N ATOM 922 CA GLY A 766 -1.263 8.285 -12.103 1.00 31.22 C ATOM 923 C GLY A 766 0.057 7.633 -11.765 1.00 23.40 C ATOM 924 O GLY A 766 0.785 7.184 -12.653 1.00 71.54 O ATOM 0 H GLY A 766 -1.334 9.541 -10.438 1.00 51.34 H new ATOM 0 HA2 GLY A 766 -1.927 7.552 -12.561 1.00 31.22 H new ATOM 0 HA3 GLY A 766 -1.104 9.074 -12.838 1.00 31.22 H new ATOM 928 N ARG A 767 0.367 7.585 -10.478 1.00 34.11 N ATOM 929 CA ARG A 767 1.621 7.012 -10.013 1.00 41.53 C ATOM 930 C ARG A 767 1.421 5.579 -9.540 1.00 1.23 C ATOM 931 O ARG A 767 0.373 5.232 -8.996 1.00 2.23 O ATOM 932 CB ARG A 767 2.209 7.854 -8.883 1.00 3.22 C ATOM 933 CG ARG A 767 2.645 9.242 -9.316 1.00 33.55 C ATOM 934 CD ARG A 767 3.715 9.172 -10.393 1.00 54.01 C ATOM 935 NE ARG A 767 4.206 10.498 -10.761 1.00 72.24 N ATOM 936 CZ ARG A 767 5.101 10.716 -11.723 1.00 32.52 C ATOM 937 NH1 ARG A 767 5.575 9.700 -12.436 1.00 53.31 N ATOM 938 NH2 ARG A 767 5.523 11.948 -11.971 1.00 54.00 N ATOM 0 H ARG A 767 -0.236 7.938 -9.734 1.00 34.11 H new ATOM 0 HA ARG A 767 2.318 7.008 -10.851 1.00 41.53 H new ATOM 0 HB2 ARG A 767 1.468 7.947 -8.089 1.00 3.22 H new ATOM 0 HB3 ARG A 767 3.066 7.330 -8.460 1.00 3.22 H new ATOM 0 HG2 ARG A 767 1.784 9.796 -9.691 1.00 33.55 H new ATOM 0 HG3 ARG A 767 3.027 9.791 -8.455 1.00 33.55 H new ATOM 0 HD2 ARG A 767 4.547 8.562 -10.039 1.00 54.01 H new ATOM 0 HD3 ARG A 767 3.310 8.677 -11.276 1.00 54.01 H new ATOM 0 HE ARG A 767 3.842 11.303 -10.252 1.00 72.24 H new ATOM 0 HH11 ARG A 767 5.254 8.751 -12.247 1.00 53.31 H new ATOM 0 HH12 ARG A 767 6.260 9.869 -13.172 1.00 53.31 H new ATOM 0 HH21 ARG A 767 5.162 12.730 -11.425 1.00 54.00 H new ATOM 0 HH22 ARG A 767 6.208 12.114 -12.708 1.00 54.00 H new ATOM 952 N TRP A 768 2.437 4.760 -9.752 1.00 4.44 N ATOM 953 CA TRP A 768 2.401 3.358 -9.362 1.00 54.22 C ATOM 954 C TRP A 768 3.478 3.085 -8.322 1.00 53.21 C ATOM 955 O TRP A 768 4.668 3.055 -8.648 1.00 43.23 O ATOM 956 CB TRP A 768 2.634 2.458 -10.577 1.00 4.01 C ATOM 957 CG TRP A 768 1.710 2.725 -11.724 1.00 42.25 C ATOM 958 CD1 TRP A 768 1.856 3.679 -12.688 1.00 4.30 C ATOM 959 CD2 TRP A 768 0.505 2.021 -12.035 1.00 24.43 C ATOM 960 NE1 TRP A 768 0.812 3.618 -13.575 1.00 70.44 N ATOM 961 CE2 TRP A 768 -0.031 2.608 -13.196 1.00 32.25 C ATOM 962 CE3 TRP A 768 -0.175 0.955 -11.442 1.00 35.34 C ATOM 963 CZ2 TRP A 768 -1.213 2.160 -13.776 1.00 22.21 C ATOM 964 CZ3 TRP A 768 -1.348 0.512 -12.019 1.00 74.54 C ATOM 965 CH2 TRP A 768 -1.858 1.116 -13.176 1.00 12.35 C ATOM 0 H TRP A 768 3.309 5.046 -10.198 1.00 4.44 H new ATOM 0 HA TRP A 768 1.419 3.141 -8.942 1.00 54.22 H new ATOM 0 HB2 TRP A 768 3.662 2.584 -10.916 1.00 4.01 H new ATOM 0 HB3 TRP A 768 2.524 1.418 -10.271 1.00 4.01 H new ATOM 0 HD1 TRP A 768 2.675 4.381 -12.744 1.00 4.30 H new ATOM 0 HE1 TRP A 768 0.684 4.225 -14.384 1.00 70.44 H new ATOM 0 HE3 TRP A 768 0.210 0.486 -10.549 1.00 35.34 H new ATOM 0 HZ2 TRP A 768 -1.607 2.621 -14.669 1.00 22.21 H new ATOM 0 HZ3 TRP A 768 -1.881 -0.314 -11.571 1.00 74.54 H new ATOM 0 HH2 TRP A 768 -2.780 0.749 -13.602 1.00 12.35 H new ATOM 976 N PHE A 769 3.068 2.887 -7.081 1.00 43.20 N ATOM 977 CA PHE A 769 4.003 2.672 -5.988 1.00 60.33 C ATOM 978 C PHE A 769 3.257 2.228 -4.738 1.00 23.53 C ATOM 979 O PHE A 769 2.144 2.683 -4.476 1.00 14.20 O ATOM 980 CB PHE A 769 4.811 3.950 -5.694 1.00 5.34 C ATOM 981 CG PHE A 769 3.987 5.096 -5.164 1.00 14.12 C ATOM 982 CD1 PHE A 769 3.319 5.949 -6.029 1.00 53.25 C ATOM 983 CD2 PHE A 769 3.882 5.320 -3.800 1.00 15.14 C ATOM 984 CE1 PHE A 769 2.563 6.999 -5.542 1.00 14.24 C ATOM 985 CE2 PHE A 769 3.127 6.367 -3.309 1.00 41.11 C ATOM 986 CZ PHE A 769 2.468 7.208 -4.181 1.00 74.13 C ATOM 0 H PHE A 769 2.087 2.871 -6.803 1.00 43.20 H new ATOM 0 HA PHE A 769 4.699 1.888 -6.286 1.00 60.33 H new ATOM 0 HB2 PHE A 769 5.592 3.714 -4.971 1.00 5.34 H new ATOM 0 HB3 PHE A 769 5.310 4.269 -6.609 1.00 5.34 H new ATOM 0 HD1 PHE A 769 3.390 5.791 -7.095 1.00 53.25 H new ATOM 0 HD2 PHE A 769 4.398 4.667 -3.112 1.00 15.14 H new ATOM 0 HE1 PHE A 769 2.047 7.656 -6.227 1.00 14.24 H new ATOM 0 HE2 PHE A 769 3.053 6.527 -2.243 1.00 41.11 H new ATOM 0 HZ PHE A 769 1.879 8.029 -3.800 1.00 74.13 H new ATOM 996 N PRO A 770 3.850 1.324 -3.956 1.00 52.04 N ATOM 997 CA PRO A 770 5.109 0.679 -4.284 1.00 43.31 C ATOM 998 C PRO A 770 4.898 -0.712 -4.877 1.00 52.24 C ATOM 999 O PRO A 770 3.765 -1.173 -5.013 1.00 32.31 O ATOM 1000 CB PRO A 770 5.759 0.576 -2.911 1.00 35.42 C ATOM 1001 CG PRO A 770 4.613 0.345 -1.972 1.00 34.10 C ATOM 1002 CD PRO A 770 3.365 0.876 -2.648 1.00 64.00 C ATOM 0 HA PRO A 770 5.693 1.218 -5.030 1.00 43.31 H new ATOM 0 HB2 PRO A 770 6.476 -0.244 -2.872 1.00 35.42 H new ATOM 0 HB3 PRO A 770 6.302 1.487 -2.659 1.00 35.42 H new ATOM 0 HG2 PRO A 770 4.507 -0.717 -1.748 1.00 34.10 H new ATOM 0 HG3 PRO A 770 4.784 0.855 -1.024 1.00 34.10 H new ATOM 0 HD2 PRO A 770 2.602 0.104 -2.746 1.00 64.00 H new ATOM 0 HD3 PRO A 770 2.920 1.695 -2.083 1.00 64.00 H new ATOM 1010 N ALA A 771 5.990 -1.367 -5.236 1.00 22.13 N ATOM 1011 CA ALA A 771 5.939 -2.748 -5.684 1.00 34.35 C ATOM 1012 C ALA A 771 6.463 -3.661 -4.586 1.00 31.33 C ATOM 1013 O ALA A 771 7.671 -3.754 -4.368 1.00 51.15 O ATOM 1014 CB ALA A 771 6.747 -2.929 -6.961 1.00 33.31 C ATOM 0 H ALA A 771 6.926 -0.962 -5.226 1.00 22.13 H new ATOM 0 HA ALA A 771 4.904 -3.011 -5.901 1.00 34.35 H new ATOM 0 HB1 ALA A 771 6.696 -3.970 -7.280 1.00 33.31 H new ATOM 0 HB2 ALA A 771 6.339 -2.290 -7.744 1.00 33.31 H new ATOM 0 HB3 ALA A 771 7.786 -2.657 -6.776 1.00 33.31 H new ATOM 1020 N VAL A 772 5.554 -4.314 -3.879 1.00 3.02 N ATOM 1021 CA VAL A 772 5.933 -5.165 -2.762 1.00 11.02 C ATOM 1022 C VAL A 772 5.556 -6.617 -3.024 1.00 72.55 C ATOM 1023 O VAL A 772 4.465 -6.912 -3.508 1.00 61.12 O ATOM 1024 CB VAL A 772 5.290 -4.696 -1.435 1.00 33.42 C ATOM 1025 CG1 VAL A 772 5.848 -3.344 -1.016 1.00 54.33 C ATOM 1026 CG2 VAL A 772 3.774 -4.631 -1.552 1.00 1.53 C ATOM 0 H VAL A 772 4.551 -4.271 -4.058 1.00 3.02 H new ATOM 0 HA VAL A 772 7.016 -5.088 -2.665 1.00 11.02 H new ATOM 0 HB VAL A 772 5.539 -5.428 -0.667 1.00 33.42 H new ATOM 0 HG11 VAL A 772 5.383 -3.032 -0.081 1.00 54.33 H new ATOM 0 HG12 VAL A 772 6.926 -3.423 -0.876 1.00 54.33 H new ATOM 0 HG13 VAL A 772 5.635 -2.607 -1.790 1.00 54.33 H new ATOM 0 HG21 VAL A 772 3.350 -4.299 -0.605 1.00 1.53 H new ATOM 0 HG22 VAL A 772 3.500 -3.928 -2.339 1.00 1.53 H new ATOM 0 HG23 VAL A 772 3.385 -5.620 -1.797 1.00 1.53 H new ATOM 1036 N CYS A 773 6.474 -7.517 -2.722 1.00 52.11 N ATOM 1037 CA CYS A 773 6.224 -8.937 -2.872 1.00 11.04 C ATOM 1038 C CYS A 773 6.125 -9.601 -1.503 1.00 74.22 C ATOM 1039 O CYS A 773 7.131 -9.832 -0.832 1.00 74.34 O ATOM 1040 CB CYS A 773 7.325 -9.573 -3.724 1.00 71.42 C ATOM 1041 SG CYS A 773 8.978 -8.904 -3.416 1.00 73.33 S ATOM 0 H CYS A 773 7.403 -7.287 -2.370 1.00 52.11 H new ATOM 0 HA CYS A 773 5.273 -9.085 -3.383 1.00 11.04 H new ATOM 0 HB2 CYS A 773 7.339 -10.647 -3.538 1.00 71.42 H new ATOM 0 HB3 CYS A 773 7.080 -9.435 -4.777 1.00 71.42 H new ATOM 0 HG CYS A 773 9.207 -8.885 -2.136 1.00 73.33 H new ATOM 1047 N ALA A 774 4.899 -9.883 -1.088 1.00 75.20 N ATOM 1048 CA ALA A 774 4.640 -10.426 0.237 1.00 65.43 C ATOM 1049 C ALA A 774 4.420 -11.933 0.181 1.00 23.24 C ATOM 1050 O ALA A 774 4.438 -12.529 -0.893 1.00 61.03 O ATOM 1051 CB ALA A 774 3.438 -9.732 0.855 1.00 14.12 C ATOM 0 H ALA A 774 4.062 -9.743 -1.655 1.00 75.20 H new ATOM 0 HA ALA A 774 5.515 -10.243 0.861 1.00 65.43 H new ATOM 0 HB1 ALA A 774 3.250 -10.144 1.847 1.00 14.12 H new ATOM 0 HB2 ALA A 774 3.637 -8.664 0.937 1.00 14.12 H new ATOM 0 HB3 ALA A 774 2.563 -9.890 0.225 1.00 14.12 H new ATOM 1057 N HIS A 775 4.195 -12.539 1.344 1.00 43.12 N ATOM 1058 CA HIS A 775 4.051 -13.992 1.436 1.00 11.42 C ATOM 1059 C HIS A 775 2.581 -14.388 1.373 1.00 42.25 C ATOM 1060 O HIS A 775 2.245 -15.568 1.282 1.00 4.43 O ATOM 1061 CB HIS A 775 4.665 -14.516 2.736 1.00 70.31 C ATOM 1062 CG HIS A 775 6.084 -14.093 2.947 1.00 42.40 C ATOM 1063 ND1 HIS A 775 7.162 -14.811 2.484 1.00 45.32 N ATOM 1064 CD2 HIS A 775 6.598 -13.008 3.570 1.00 43.44 C ATOM 1065 CE1 HIS A 775 8.276 -14.189 2.815 1.00 11.02 C ATOM 1066 NE2 HIS A 775 7.962 -13.088 3.473 1.00 61.25 N ATOM 0 H HIS A 775 4.108 -12.049 2.235 1.00 43.12 H new ATOM 0 HA HIS A 775 4.578 -14.435 0.591 1.00 11.42 H new ATOM 0 HB2 HIS A 775 4.064 -14.169 3.576 1.00 70.31 H new ATOM 0 HB3 HIS A 775 4.616 -15.605 2.737 1.00 70.31 H new ATOM 0 HD1 HIS A 775 7.108 -15.688 1.966 1.00 45.32 H new ATOM 0 HD2 HIS A 775 6.036 -12.223 4.055 1.00 43.44 H new ATOM 0 HE1 HIS A 775 9.277 -14.524 2.586 1.00 11.02 H new ATOM 1075 N SER A 776 1.716 -13.391 1.434 1.00 5.55 N ATOM 1076 CA SER A 776 0.282 -13.613 1.389 1.00 14.20 C ATOM 1077 C SER A 776 -0.395 -12.460 0.660 1.00 12.33 C ATOM 1078 O SER A 776 0.166 -11.366 0.564 1.00 60.22 O ATOM 1079 CB SER A 776 -0.280 -13.750 2.806 1.00 75.23 C ATOM 1080 OG SER A 776 0.310 -14.845 3.487 1.00 74.12 O ATOM 0 H SER A 776 1.986 -12.411 1.516 1.00 5.55 H new ATOM 0 HA SER A 776 0.083 -14.539 0.849 1.00 14.20 H new ATOM 0 HB2 SER A 776 -0.098 -12.831 3.363 1.00 75.23 H new ATOM 0 HB3 SER A 776 -1.360 -13.886 2.760 1.00 75.23 H new ATOM 0 HG SER A 776 -0.065 -14.909 4.390 1.00 74.12 H new ATOM 1086 N LYS A 777 -1.592 -12.705 0.144 1.00 62.43 N ATOM 1087 CA LYS A 777 -2.313 -11.693 -0.619 1.00 43.11 C ATOM 1088 C LYS A 777 -2.771 -10.558 0.295 1.00 12.23 C ATOM 1089 O LYS A 777 -2.709 -9.387 -0.082 1.00 44.21 O ATOM 1090 CB LYS A 777 -3.500 -12.331 -1.348 1.00 52.42 C ATOM 1091 CG LYS A 777 -4.196 -11.405 -2.333 1.00 41.21 C ATOM 1092 CD LYS A 777 -5.392 -10.704 -1.711 1.00 61.01 C ATOM 1093 CE LYS A 777 -6.516 -11.683 -1.420 1.00 11.22 C ATOM 1094 NZ LYS A 777 -6.948 -12.406 -2.646 1.00 43.21 N ATOM 0 H LYS A 777 -2.084 -13.593 0.239 1.00 62.43 H new ATOM 0 HA LYS A 777 -1.642 -11.268 -1.366 1.00 43.11 H new ATOM 0 HB2 LYS A 777 -3.152 -13.215 -1.882 1.00 52.42 H new ATOM 0 HB3 LYS A 777 -4.226 -12.670 -0.609 1.00 52.42 H new ATOM 0 HG2 LYS A 777 -3.486 -10.660 -2.693 1.00 41.21 H new ATOM 0 HG3 LYS A 777 -4.523 -11.979 -3.200 1.00 41.21 H new ATOM 0 HD2 LYS A 777 -5.088 -10.212 -0.787 1.00 61.01 H new ATOM 0 HD3 LYS A 777 -5.750 -9.925 -2.384 1.00 61.01 H new ATOM 0 HE2 LYS A 777 -6.187 -12.403 -0.670 1.00 11.22 H new ATOM 0 HE3 LYS A 777 -7.365 -11.147 -0.996 1.00 11.22 H new ATOM 0 HZ1 LYS A 777 -7.902 -12.795 -2.502 1.00 43.21 H new ATOM 0 HZ2 LYS A 777 -6.961 -11.748 -3.451 1.00 43.21 H new ATOM 0 HZ3 LYS A 777 -6.284 -13.182 -2.844 1.00 43.21 H new ATOM 1108 N LYS A 778 -3.220 -10.911 1.494 1.00 33.14 N ATOM 1109 CA LYS A 778 -3.602 -9.918 2.493 1.00 31.34 C ATOM 1110 C LYS A 778 -2.399 -9.046 2.844 1.00 53.01 C ATOM 1111 O LYS A 778 -2.495 -7.816 2.873 1.00 33.22 O ATOM 1112 CB LYS A 778 -4.144 -10.613 3.746 1.00 43.20 C ATOM 1113 CG LYS A 778 -4.627 -9.662 4.831 1.00 24.02 C ATOM 1114 CD LYS A 778 -5.872 -8.906 4.400 1.00 54.53 C ATOM 1115 CE LYS A 778 -6.377 -7.996 5.508 1.00 31.24 C ATOM 1116 NZ LYS A 778 -7.632 -7.300 5.125 1.00 3.35 N ATOM 0 H LYS A 778 -3.329 -11.878 1.799 1.00 33.14 H new ATOM 0 HA LYS A 778 -4.387 -9.283 2.083 1.00 31.34 H new ATOM 0 HB2 LYS A 778 -4.968 -11.265 3.457 1.00 43.20 H new ATOM 0 HB3 LYS A 778 -3.363 -11.251 4.160 1.00 43.20 H new ATOM 0 HG2 LYS A 778 -4.839 -10.224 5.740 1.00 24.02 H new ATOM 0 HG3 LYS A 778 -3.835 -8.953 5.072 1.00 24.02 H new ATOM 0 HD2 LYS A 778 -5.651 -8.313 3.512 1.00 54.53 H new ATOM 0 HD3 LYS A 778 -6.653 -9.615 4.124 1.00 54.53 H new ATOM 0 HE2 LYS A 778 -6.548 -8.583 6.410 1.00 31.24 H new ATOM 0 HE3 LYS A 778 -5.612 -7.258 5.749 1.00 31.24 H new ATOM 0 HZ1 LYS A 778 -7.943 -6.690 5.907 1.00 3.35 H new ATOM 0 HZ2 LYS A 778 -7.463 -6.719 4.279 1.00 3.35 H new ATOM 0 HZ3 LYS A 778 -8.370 -8.003 4.920 1.00 3.35 H new ATOM 1130 N GLN A 779 -1.263 -9.701 3.098 1.00 64.42 N ATOM 1131 CA GLN A 779 0.000 -9.004 3.330 1.00 34.14 C ATOM 1132 C GLN A 779 0.301 -8.030 2.198 1.00 60.51 C ATOM 1133 O GLN A 779 0.641 -6.877 2.441 1.00 3.32 O ATOM 1134 CB GLN A 779 1.160 -9.998 3.443 1.00 52.44 C ATOM 1135 CG GLN A 779 1.239 -10.740 4.765 1.00 34.33 C ATOM 1136 CD GLN A 779 2.422 -11.692 4.813 1.00 52.34 C ATOM 1137 OE1 GLN A 779 3.445 -11.465 4.159 1.00 12.32 O ATOM 1138 NE2 GLN A 779 2.295 -12.756 5.588 1.00 35.42 N ATOM 0 H GLN A 779 -1.195 -10.717 3.148 1.00 64.42 H new ATOM 0 HA GLN A 779 -0.102 -8.454 4.266 1.00 34.14 H new ATOM 0 HB2 GLN A 779 1.074 -10.728 2.638 1.00 52.44 H new ATOM 0 HB3 GLN A 779 2.096 -9.461 3.288 1.00 52.44 H new ATOM 0 HG2 GLN A 779 1.319 -10.021 5.580 1.00 34.33 H new ATOM 0 HG3 GLN A 779 0.317 -11.299 4.923 1.00 34.33 H new ATOM 0 HE21 GLN A 779 1.432 -12.906 6.111 1.00 35.42 H new ATOM 0 HE22 GLN A 779 3.060 -13.427 5.662 1.00 35.42 H new ATOM 1147 N GLY A 780 0.170 -8.510 0.965 1.00 12.22 N ATOM 1148 CA GLY A 780 0.482 -7.699 -0.199 1.00 64.03 C ATOM 1149 C GLY A 780 -0.251 -6.375 -0.212 1.00 1.10 C ATOM 1150 O GLY A 780 0.355 -5.328 -0.424 1.00 15.25 O ATOM 0 H GLY A 780 -0.150 -9.455 0.750 1.00 12.22 H new ATOM 0 HA2 GLY A 780 1.556 -7.514 -0.228 1.00 64.03 H new ATOM 0 HA3 GLY A 780 0.230 -8.256 -1.101 1.00 64.03 H new ATOM 1154 N LYS A 781 -1.553 -6.419 0.033 1.00 61.44 N ATOM 1155 CA LYS A 781 -2.376 -5.213 0.018 1.00 63.51 C ATOM 1156 C LYS A 781 -1.991 -4.275 1.157 1.00 42.21 C ATOM 1157 O LYS A 781 -1.838 -3.069 0.958 1.00 73.21 O ATOM 1158 CB LYS A 781 -3.859 -5.574 0.126 1.00 55.21 C ATOM 1159 CG LYS A 781 -4.334 -6.533 -0.952 1.00 2.43 C ATOM 1160 CD LYS A 781 -5.826 -6.804 -0.849 1.00 43.25 C ATOM 1161 CE LYS A 781 -6.646 -5.564 -1.167 1.00 42.53 C ATOM 1162 NZ LYS A 781 -8.104 -5.851 -1.179 1.00 32.23 N ATOM 0 H LYS A 781 -2.064 -7.276 0.245 1.00 61.44 H new ATOM 0 HA LYS A 781 -2.201 -4.702 -0.929 1.00 63.51 H new ATOM 0 HB2 LYS A 781 -4.045 -6.019 1.103 1.00 55.21 H new ATOM 0 HB3 LYS A 781 -4.451 -4.660 0.074 1.00 55.21 H new ATOM 0 HG2 LYS A 781 -4.107 -6.117 -1.934 1.00 2.43 H new ATOM 0 HG3 LYS A 781 -3.787 -7.472 -0.869 1.00 2.43 H new ATOM 0 HD2 LYS A 781 -6.098 -7.606 -1.535 1.00 43.25 H new ATOM 0 HD3 LYS A 781 -6.064 -7.150 0.157 1.00 43.25 H new ATOM 0 HE2 LYS A 781 -6.435 -4.790 -0.429 1.00 42.53 H new ATOM 0 HE3 LYS A 781 -6.346 -5.169 -2.138 1.00 42.53 H new ATOM 0 HZ1 LYS A 781 -8.627 -4.980 -1.400 1.00 32.23 H new ATOM 0 HZ2 LYS A 781 -8.310 -6.571 -1.901 1.00 32.23 H new ATOM 0 HZ3 LYS A 781 -8.396 -6.203 -0.245 1.00 32.23 H new ATOM 1176 N GLN A 782 -1.819 -4.836 2.345 1.00 41.45 N ATOM 1177 CA GLN A 782 -1.527 -4.035 3.525 1.00 73.14 C ATOM 1178 C GLN A 782 -0.112 -3.475 3.480 1.00 33.42 C ATOM 1179 O GLN A 782 0.121 -2.345 3.904 1.00 72.31 O ATOM 1180 CB GLN A 782 -1.742 -4.854 4.798 1.00 41.01 C ATOM 1181 CG GLN A 782 -3.187 -5.277 4.990 1.00 4.13 C ATOM 1182 CD GLN A 782 -3.457 -5.893 6.348 1.00 40.04 C ATOM 1183 OE1 GLN A 782 -4.557 -5.767 6.883 1.00 34.42 O ATOM 1184 NE2 GLN A 782 -2.472 -6.572 6.910 1.00 63.13 N ATOM 0 H GLN A 782 -1.876 -5.840 2.517 1.00 41.45 H new ATOM 0 HA GLN A 782 -2.218 -3.192 3.534 1.00 73.14 H new ATOM 0 HB2 GLN A 782 -1.110 -5.742 4.764 1.00 41.01 H new ATOM 0 HB3 GLN A 782 -1.423 -4.268 5.660 1.00 41.01 H new ATOM 0 HG2 GLN A 782 -3.833 -4.409 4.858 1.00 4.13 H new ATOM 0 HG3 GLN A 782 -3.454 -5.994 4.214 1.00 4.13 H new ATOM 0 HE21 GLN A 782 -1.573 -6.654 6.435 1.00 63.13 H new ATOM 0 HE22 GLN A 782 -2.611 -7.014 7.819 1.00 63.13 H new ATOM 1193 N GLU A 783 0.830 -4.254 2.964 1.00 61.40 N ATOM 1194 CA GLU A 783 2.208 -3.795 2.832 1.00 24.22 C ATOM 1195 C GLU A 783 2.327 -2.760 1.725 1.00 51.34 C ATOM 1196 O GLU A 783 3.109 -1.817 1.833 1.00 42.14 O ATOM 1197 CB GLU A 783 3.154 -4.964 2.561 1.00 33.15 C ATOM 1198 CG GLU A 783 3.428 -5.811 3.790 1.00 43.42 C ATOM 1199 CD GLU A 783 4.070 -5.011 4.907 1.00 44.12 C ATOM 1200 OE1 GLU A 783 5.300 -4.804 4.863 1.00 43.33 O ATOM 1201 OE2 GLU A 783 3.352 -4.589 5.835 1.00 13.51 O ATOM 0 H GLU A 783 0.667 -5.204 2.631 1.00 61.40 H new ATOM 0 HA GLU A 783 2.495 -3.333 3.777 1.00 24.22 H new ATOM 0 HB2 GLU A 783 2.727 -5.595 1.781 1.00 33.15 H new ATOM 0 HB3 GLU A 783 4.098 -4.577 2.177 1.00 33.15 H new ATOM 0 HG2 GLU A 783 2.493 -6.244 4.146 1.00 43.42 H new ATOM 0 HG3 GLU A 783 4.080 -6.641 3.519 1.00 43.42 H new ATOM 1208 N ALA A 784 1.550 -2.939 0.663 1.00 4.32 N ATOM 1209 CA ALA A 784 1.515 -1.969 -0.418 1.00 54.24 C ATOM 1210 C ALA A 784 1.062 -0.620 0.111 1.00 61.20 C ATOM 1211 O ALA A 784 1.709 0.395 -0.120 1.00 64.52 O ATOM 1212 CB ALA A 784 0.599 -2.438 -1.540 1.00 31.01 C ATOM 0 H ALA A 784 0.939 -3.745 0.530 1.00 4.32 H new ATOM 0 HA ALA A 784 2.521 -1.869 -0.826 1.00 54.24 H new ATOM 0 HB1 ALA A 784 0.590 -1.695 -2.337 1.00 31.01 H new ATOM 0 HB2 ALA A 784 0.962 -3.387 -1.933 1.00 31.01 H new ATOM 0 HB3 ALA A 784 -0.412 -2.568 -1.154 1.00 31.01 H new ATOM 1218 N ALA A 785 -0.037 -0.624 0.852 1.00 11.51 N ATOM 1219 CA ALA A 785 -0.556 0.597 1.445 1.00 44.22 C ATOM 1220 C ALA A 785 0.409 1.143 2.492 1.00 44.40 C ATOM 1221 O ALA A 785 0.654 2.345 2.553 1.00 12.40 O ATOM 1222 CB ALA A 785 -1.920 0.341 2.058 1.00 21.04 C ATOM 0 H ALA A 785 -0.585 -1.460 1.056 1.00 11.51 H new ATOM 0 HA ALA A 785 -0.661 1.346 0.660 1.00 44.22 H new ATOM 0 HB1 ALA A 785 -2.299 1.263 2.499 1.00 21.04 H new ATOM 0 HB2 ALA A 785 -2.608 -0.001 1.285 1.00 21.04 H new ATOM 0 HB3 ALA A 785 -1.834 -0.423 2.831 1.00 21.04 H new ATOM 1228 N ASP A 786 0.960 0.244 3.303 1.00 74.43 N ATOM 1229 CA ASP A 786 1.917 0.612 4.345 1.00 64.41 C ATOM 1230 C ASP A 786 3.107 1.352 3.748 1.00 73.41 C ATOM 1231 O ASP A 786 3.411 2.480 4.137 1.00 1.23 O ATOM 1232 CB ASP A 786 2.400 -0.648 5.076 1.00 11.01 C ATOM 1233 CG ASP A 786 3.374 -0.355 6.201 1.00 61.10 C ATOM 1234 OD1 ASP A 786 4.583 -0.193 5.926 1.00 25.32 O ATOM 1235 OD2 ASP A 786 2.943 -0.320 7.372 1.00 1.34 O ATOM 0 H ASP A 786 0.758 -0.755 3.258 1.00 74.43 H new ATOM 0 HA ASP A 786 1.419 1.274 5.054 1.00 64.41 H new ATOM 0 HB2 ASP A 786 1.537 -1.177 5.481 1.00 11.01 H new ATOM 0 HB3 ASP A 786 2.876 -1.316 4.358 1.00 11.01 H new ATOM 1240 N ALA A 787 3.759 0.719 2.783 1.00 53.42 N ATOM 1241 CA ALA A 787 4.930 1.299 2.149 1.00 51.40 C ATOM 1242 C ALA A 787 4.558 2.522 1.316 1.00 61.41 C ATOM 1243 O ALA A 787 5.349 3.453 1.192 1.00 44.23 O ATOM 1244 CB ALA A 787 5.640 0.263 1.294 1.00 71.44 C ATOM 0 H ALA A 787 3.495 -0.198 2.423 1.00 53.42 H new ATOM 0 HA ALA A 787 5.611 1.626 2.935 1.00 51.40 H new ATOM 0 HB1 ALA A 787 6.515 0.715 0.827 1.00 71.44 H new ATOM 0 HB2 ALA A 787 5.954 -0.572 1.920 1.00 71.44 H new ATOM 0 HB3 ALA A 787 4.961 -0.098 0.521 1.00 71.44 H new ATOM 1250 N ALA A 788 3.347 2.525 0.759 1.00 4.24 N ATOM 1251 CA ALA A 788 2.865 3.671 -0.003 1.00 73.22 C ATOM 1252 C ALA A 788 2.772 4.894 0.893 1.00 60.33 C ATOM 1253 O ALA A 788 3.172 5.992 0.505 1.00 40.35 O ATOM 1254 CB ALA A 788 1.515 3.380 -0.642 1.00 70.53 C ATOM 0 H ALA A 788 2.687 1.750 0.822 1.00 4.24 H new ATOM 0 HA ALA A 788 3.579 3.870 -0.803 1.00 73.22 H new ATOM 0 HB1 ALA A 788 1.182 4.253 -1.203 1.00 70.53 H new ATOM 0 HB2 ALA A 788 1.608 2.529 -1.317 1.00 70.53 H new ATOM 0 HB3 ALA A 788 0.787 3.149 0.135 1.00 70.53 H new ATOM 1260 N LEU A 789 2.260 4.694 2.104 1.00 11.43 N ATOM 1261 CA LEU A 789 2.192 5.760 3.088 1.00 11.12 C ATOM 1262 C LEU A 789 3.593 6.238 3.424 1.00 35.32 C ATOM 1263 O LEU A 789 3.833 7.434 3.550 1.00 73.24 O ATOM 1264 CB LEU A 789 1.478 5.289 4.360 1.00 14.13 C ATOM 1265 CG LEU A 789 0.040 4.806 4.162 1.00 41.51 C ATOM 1266 CD1 LEU A 789 -0.580 4.414 5.492 1.00 71.43 C ATOM 1267 CD2 LEU A 789 -0.790 5.880 3.480 1.00 43.34 C ATOM 0 H LEU A 789 1.887 3.800 2.424 1.00 11.43 H new ATOM 0 HA LEU A 789 1.620 6.585 2.664 1.00 11.12 H new ATOM 0 HB2 LEU A 789 2.058 4.480 4.804 1.00 14.13 H new ATOM 0 HB3 LEU A 789 1.473 6.109 5.079 1.00 14.13 H new ATOM 0 HG LEU A 789 0.057 3.925 3.521 1.00 41.51 H new ATOM 0 HD11 LEU A 789 -1.603 4.073 5.330 1.00 71.43 H new ATOM 0 HD12 LEU A 789 0.003 3.611 5.943 1.00 71.43 H new ATOM 0 HD13 LEU A 789 -0.586 5.276 6.159 1.00 71.43 H new ATOM 0 HD21 LEU A 789 -1.810 5.521 3.346 1.00 43.34 H new ATOM 0 HD22 LEU A 789 -0.799 6.779 4.096 1.00 43.34 H new ATOM 0 HD23 LEU A 789 -0.357 6.112 2.507 1.00 43.34 H new ATOM 1279 N ARG A 790 4.522 5.290 3.535 1.00 42.40 N ATOM 1280 CA ARG A 790 5.919 5.609 3.810 1.00 15.21 C ATOM 1281 C ARG A 790 6.488 6.500 2.713 1.00 74.14 C ATOM 1282 O ARG A 790 7.270 7.406 2.986 1.00 3.41 O ATOM 1283 CB ARG A 790 6.758 4.334 3.925 1.00 1.42 C ATOM 1284 CG ARG A 790 6.277 3.378 5.001 1.00 32.42 C ATOM 1285 CD ARG A 790 6.311 4.008 6.382 1.00 43.15 C ATOM 1286 NE ARG A 790 7.664 4.386 6.784 1.00 75.21 N ATOM 1287 CZ ARG A 790 8.455 3.620 7.533 1.00 51.33 C ATOM 1288 NH1 ARG A 790 8.032 2.435 7.957 1.00 2.21 N ATOM 1289 NH2 ARG A 790 9.669 4.042 7.861 1.00 35.03 N ATOM 0 H ARG A 790 4.330 4.293 3.438 1.00 42.40 H new ATOM 0 HA ARG A 790 5.960 6.141 4.760 1.00 15.21 H new ATOM 0 HB2 ARG A 790 6.751 3.818 2.965 1.00 1.42 H new ATOM 0 HB3 ARG A 790 7.792 4.609 4.132 1.00 1.42 H new ATOM 0 HG2 ARG A 790 5.260 3.059 4.774 1.00 32.42 H new ATOM 0 HG3 ARG A 790 6.900 2.484 4.996 1.00 32.42 H new ATOM 0 HD2 ARG A 790 5.671 4.890 6.393 1.00 43.15 H new ATOM 0 HD3 ARG A 790 5.900 3.307 7.109 1.00 43.15 H new ATOM 0 HE ARG A 790 8.023 5.289 6.473 1.00 75.21 H new ATOM 0 HH11 ARG A 790 7.098 2.108 7.709 1.00 2.21 H new ATOM 0 HH12 ARG A 790 8.641 1.851 8.530 1.00 2.21 H new ATOM 0 HH21 ARG A 790 9.996 4.953 7.540 1.00 35.03 H new ATOM 0 HH22 ARG A 790 10.275 3.456 8.435 1.00 35.03 H new ATOM 1303 N VAL A 791 6.093 6.239 1.471 1.00 53.32 N ATOM 1304 CA VAL A 791 6.498 7.083 0.354 1.00 32.43 C ATOM 1305 C VAL A 791 5.957 8.491 0.547 1.00 51.51 C ATOM 1306 O VAL A 791 6.707 9.457 0.529 1.00 2.05 O ATOM 1307 CB VAL A 791 6.005 6.537 -1.003 1.00 24.22 C ATOM 1308 CG1 VAL A 791 6.503 7.410 -2.148 1.00 3.50 C ATOM 1309 CG2 VAL A 791 6.447 5.098 -1.201 1.00 24.42 C ATOM 0 H VAL A 791 5.496 5.453 1.214 1.00 53.32 H new ATOM 0 HA VAL A 791 7.588 7.091 0.338 1.00 32.43 H new ATOM 0 HB VAL A 791 4.915 6.561 -1.000 1.00 24.22 H new ATOM 0 HG11 VAL A 791 6.144 7.007 -3.095 1.00 3.50 H new ATOM 0 HG12 VAL A 791 6.129 8.426 -2.020 1.00 3.50 H new ATOM 0 HG13 VAL A 791 7.593 7.422 -2.149 1.00 3.50 H new ATOM 0 HG21 VAL A 791 6.087 4.736 -2.164 1.00 24.42 H new ATOM 0 HG22 VAL A 791 7.535 5.045 -1.177 1.00 24.42 H new ATOM 0 HG23 VAL A 791 6.036 4.478 -0.404 1.00 24.42 H new ATOM 1319 N LEU A 792 4.651 8.589 0.766 1.00 35.32 N ATOM 1320 CA LEU A 792 3.985 9.876 0.958 1.00 0.35 C ATOM 1321 C LEU A 792 4.639 10.657 2.094 1.00 51.30 C ATOM 1322 O LEU A 792 4.951 11.844 1.959 1.00 55.31 O ATOM 1323 CB LEU A 792 2.508 9.645 1.274 1.00 42.12 C ATOM 1324 CG LEU A 792 1.807 8.632 0.370 1.00 22.20 C ATOM 1325 CD1 LEU A 792 0.385 8.391 0.842 1.00 73.11 C ATOM 1326 CD2 LEU A 792 1.823 9.098 -1.078 1.00 32.35 C ATOM 0 H LEU A 792 4.025 7.785 0.816 1.00 35.32 H new ATOM 0 HA LEU A 792 4.077 10.457 0.041 1.00 0.35 H new ATOM 0 HB2 LEU A 792 2.421 9.309 2.307 1.00 42.12 H new ATOM 0 HB3 LEU A 792 1.983 10.598 1.203 1.00 42.12 H new ATOM 0 HG LEU A 792 2.351 7.689 0.427 1.00 22.20 H new ATOM 0 HD11 LEU A 792 -0.098 7.667 0.186 1.00 73.11 H new ATOM 0 HD12 LEU A 792 0.400 8.004 1.861 1.00 73.11 H new ATOM 0 HD13 LEU A 792 -0.170 9.329 0.819 1.00 73.11 H new ATOM 0 HD21 LEU A 792 1.318 8.361 -1.703 1.00 32.35 H new ATOM 0 HD22 LEU A 792 1.308 10.055 -1.158 1.00 32.35 H new ATOM 0 HD23 LEU A 792 2.854 9.212 -1.412 1.00 32.35 H new ATOM 1338 N ILE A 793 4.840 9.967 3.208 1.00 42.55 N ATOM 1339 CA ILE A 793 5.504 10.533 4.375 1.00 3.11 C ATOM 1340 C ILE A 793 6.941 10.942 4.046 1.00 43.12 C ATOM 1341 O ILE A 793 7.360 12.062 4.341 1.00 60.43 O ATOM 1342 CB ILE A 793 5.496 9.521 5.544 1.00 12.21 C ATOM 1343 CG1 ILE A 793 4.052 9.198 5.946 1.00 2.15 C ATOM 1344 CG2 ILE A 793 6.281 10.062 6.734 1.00 51.41 C ATOM 1345 CD1 ILE A 793 3.914 8.020 6.886 1.00 72.44 C ATOM 0 H ILE A 793 4.547 8.997 3.329 1.00 42.55 H new ATOM 0 HA ILE A 793 4.954 11.425 4.674 1.00 3.11 H new ATOM 0 HB ILE A 793 5.981 8.602 5.214 1.00 12.21 H new ATOM 0 HG12 ILE A 793 3.614 10.077 6.418 1.00 2.15 H new ATOM 0 HG13 ILE A 793 3.473 8.998 5.045 1.00 2.15 H new ATOM 0 HG21 ILE A 793 6.262 9.333 7.544 1.00 51.41 H new ATOM 0 HG22 ILE A 793 7.313 10.246 6.436 1.00 51.41 H new ATOM 0 HG23 ILE A 793 5.830 10.994 7.074 1.00 51.41 H new ATOM 0 HD11 ILE A 793 2.861 7.862 7.119 1.00 72.44 H new ATOM 0 HD12 ILE A 793 4.319 7.126 6.411 1.00 72.44 H new ATOM 0 HD13 ILE A 793 4.462 8.222 7.806 1.00 72.44 H new ATOM 1357 N GLY A 794 7.676 10.037 3.411 1.00 61.12 N ATOM 1358 CA GLY A 794 9.067 10.293 3.078 1.00 1.33 C ATOM 1359 C GLY A 794 9.241 11.402 2.055 1.00 44.12 C ATOM 1360 O GLY A 794 10.213 12.158 2.112 1.00 60.25 O ATOM 0 H GLY A 794 7.331 9.123 3.118 1.00 61.12 H new ATOM 0 HA2 GLY A 794 9.609 10.556 3.986 1.00 1.33 H new ATOM 0 HA3 GLY A 794 9.516 9.378 2.693 1.00 1.33 H new ATOM 1364 N GLU A 795 8.310 11.500 1.115 1.00 52.41 N ATOM 1365 CA GLU A 795 8.357 12.547 0.101 1.00 54.55 C ATOM 1366 C GLU A 795 8.149 13.918 0.730 1.00 31.44 C ATOM 1367 O GLU A 795 8.703 14.912 0.269 1.00 13.42 O ATOM 1368 CB GLU A 795 7.306 12.306 -0.984 1.00 35.04 C ATOM 1369 CG GLU A 795 7.576 11.076 -1.839 1.00 74.41 C ATOM 1370 CD GLU A 795 8.943 11.103 -2.488 1.00 24.04 C ATOM 1371 OE1 GLU A 795 9.143 11.890 -3.436 1.00 61.42 O ATOM 1372 OE2 GLU A 795 9.828 10.335 -2.056 1.00 44.44 O ATOM 0 H GLU A 795 7.514 10.868 1.033 1.00 52.41 H new ATOM 0 HA GLU A 795 9.345 12.518 -0.360 1.00 54.55 H new ATOM 0 HB2 GLU A 795 6.329 12.202 -0.513 1.00 35.04 H new ATOM 0 HB3 GLU A 795 7.257 13.182 -1.630 1.00 35.04 H new ATOM 0 HG2 GLU A 795 7.490 10.183 -1.220 1.00 74.41 H new ATOM 0 HG3 GLU A 795 6.812 11.002 -2.613 1.00 74.41 H new ATOM 1379 N ASN A 796 7.357 13.972 1.793 1.00 12.15 N ATOM 1380 CA ASN A 796 7.130 15.229 2.492 1.00 44.05 C ATOM 1381 C ASN A 796 8.237 15.465 3.511 1.00 3.31 C ATOM 1382 O ASN A 796 8.510 16.598 3.897 1.00 50.40 O ATOM 1383 CB ASN A 796 5.774 15.244 3.192 1.00 65.41 C ATOM 1384 CG ASN A 796 5.380 16.646 3.623 1.00 45.34 C ATOM 1385 OD1 ASN A 796 4.797 16.843 4.686 1.00 62.41 O ATOM 1386 ND2 ASN A 796 5.677 17.632 2.787 1.00 64.34 N ATOM 0 H ASN A 796 6.866 13.169 2.186 1.00 12.15 H new ATOM 0 HA ASN A 796 7.137 16.028 1.751 1.00 44.05 H new ATOM 0 HB2 ASN A 796 5.014 14.842 2.522 1.00 65.41 H new ATOM 0 HB3 ASN A 796 5.807 14.591 4.064 1.00 65.41 H new ATOM 0 HD21 ASN A 796 5.420 18.592 3.018 1.00 64.34 H new ATOM 0 HD22 ASN A 796 6.162 17.431 1.913 1.00 64.34 H new