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 779 GLN : amide:sc= -0.922! C(o=-1!,f=-6.5!) USER MOD Set 1.2: A 782 GLN : amide:sc= -0.0784 K(o=-1,f=-1.5) USER MOD Set 2.1: A 724 ASN : amide:sc= -0.0149 X(o=1.2,f=1.2) USER MOD Set 2.2: A 725 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 722 TYR OH : rot -111:sc= 2.38 USER MOD Single : A 726 ASN : amide:sc= -0.648 K(o=-0.65,f=-11!) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=-0.18) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.047) USER MOD Single : A 750 SER OG : rot 180:sc= 0 USER MOD Single : A 754 HIS : no HD1:sc= -0.558 K(o=-0.56,f=-2.5) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 180:sc= -0.0927 USER MOD Single : A 761 GLN : amide:sc= -3.09! C(o=-3.1!,f=-3.7!) USER MOD Single : A 763 LYS NZ :NH3+ -164:sc= 2.1 (180deg=1.18) USER MOD Single : A 773 CYS SG : rot 180:sc= -0.0102 USER MOD Single : A 775 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.3!) USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ -165:sc= -0.0303 (180deg=-0.256) USER MOD Single : A 778 LYS NZ :NH3+ -164:sc= -0.0818 (180deg=-0.375) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.851 14.694 7.756 1.00 63.11 N ATOM 148 CA ILE A 716 1.517 13.415 7.584 1.00 51.34 C ATOM 149 C ILE A 716 1.398 12.536 8.830 1.00 20.13 C ATOM 150 O ILE A 716 1.406 11.307 8.735 1.00 3.04 O ATOM 151 CB ILE A 716 2.996 13.638 7.204 1.00 63.41 C ATOM 152 CG1 ILE A 716 3.074 14.263 5.807 1.00 20.12 C ATOM 153 CG2 ILE A 716 3.797 12.352 7.266 1.00 71.24 C ATOM 154 CD1 ILE A 716 2.345 13.475 4.733 1.00 71.33 C ATOM 0 HA ILE A 716 1.019 12.883 6.773 1.00 51.34 H new ATOM 0 HB ILE A 716 3.438 14.319 7.931 1.00 63.41 H new ATOM 0 HG12 ILE A 716 2.659 15.270 5.848 1.00 20.12 H new ATOM 0 HG13 ILE A 716 4.122 14.361 5.523 1.00 20.12 H new ATOM 0 HG21 ILE A 716 4.832 12.555 6.991 1.00 71.24 H new ATOM 0 HG22 ILE A 716 3.762 11.950 8.279 1.00 71.24 H new ATOM 0 HG23 ILE A 716 3.373 11.626 6.573 1.00 71.24 H new ATOM 0 HD11 ILE A 716 2.448 13.984 3.775 1.00 71.33 H new ATOM 0 HD12 ILE A 716 2.774 12.475 4.661 1.00 71.33 H new ATOM 0 HD13 ILE A 716 1.289 13.399 4.991 1.00 71.33 H new ATOM 166 N GLY A 717 1.252 13.167 9.988 1.00 74.42 N ATOM 167 CA GLY A 717 1.054 12.428 11.221 1.00 4.31 C ATOM 168 C GLY A 717 -0.157 11.515 11.157 1.00 54.40 C ATOM 169 O GLY A 717 -0.191 10.467 11.806 1.00 41.05 O ATOM 0 H GLY A 717 1.267 14.181 10.096 1.00 74.42 H new ATOM 0 HA2 GLY A 717 1.943 11.834 11.433 1.00 4.31 H new ATOM 0 HA3 GLY A 717 0.935 13.129 12.047 1.00 4.31 H new ATOM 173 N GLU A 718 -1.143 11.901 10.355 1.00 32.31 N ATOM 174 CA GLU A 718 -2.346 11.101 10.189 1.00 50.44 C ATOM 175 C GLU A 718 -2.032 9.829 9.404 1.00 64.42 C ATOM 176 O GLU A 718 -2.571 8.767 9.688 1.00 53.41 O ATOM 177 CB GLU A 718 -3.437 11.911 9.483 1.00 11.22 C ATOM 178 CG GLU A 718 -3.770 13.226 10.175 1.00 2.40 C ATOM 179 CD GLU A 718 -4.251 13.045 11.602 1.00 44.35 C ATOM 180 OE1 GLU A 718 -3.409 13.026 12.522 1.00 42.14 O ATOM 181 OE2 GLU A 718 -5.474 12.938 11.815 1.00 73.25 O ATOM 0 H GLU A 718 -1.131 12.763 9.810 1.00 32.31 H new ATOM 0 HA GLU A 718 -2.713 10.819 11.176 1.00 50.44 H new ATOM 0 HB2 GLU A 718 -3.119 12.119 8.461 1.00 11.22 H new ATOM 0 HB3 GLU A 718 -4.341 11.306 9.418 1.00 11.22 H new ATOM 0 HG2 GLU A 718 -2.886 13.863 10.175 1.00 2.40 H new ATOM 0 HG3 GLU A 718 -4.538 13.746 9.603 1.00 2.40 H new ATOM 188 N LEU A 719 -1.137 9.934 8.431 1.00 30.35 N ATOM 189 CA LEU A 719 -0.721 8.765 7.659 1.00 53.12 C ATOM 190 C LEU A 719 0.046 7.801 8.553 1.00 21.44 C ATOM 191 O LEU A 719 -0.029 6.583 8.389 1.00 2.43 O ATOM 192 CB LEU A 719 0.139 9.169 6.450 1.00 21.40 C ATOM 193 CG LEU A 719 -0.603 9.865 5.298 1.00 20.30 C ATOM 194 CD1 LEU A 719 -1.852 9.089 4.917 1.00 33.11 C ATOM 195 CD2 LEU A 719 -0.949 11.303 5.652 1.00 13.24 C ATOM 0 H LEU A 719 -0.687 10.807 8.157 1.00 30.35 H new ATOM 0 HA LEU A 719 -1.616 8.271 7.280 1.00 53.12 H new ATOM 0 HB2 LEU A 719 0.932 9.831 6.798 1.00 21.40 H new ATOM 0 HB3 LEU A 719 0.621 8.274 6.057 1.00 21.40 H new ATOM 0 HG LEU A 719 0.065 9.886 4.437 1.00 20.30 H new ATOM 0 HD11 LEU A 719 -2.362 9.599 4.100 1.00 33.11 H new ATOM 0 HD12 LEU A 719 -1.573 8.084 4.600 1.00 33.11 H new ATOM 0 HD13 LEU A 719 -2.518 9.026 5.778 1.00 33.11 H new ATOM 0 HD21 LEU A 719 -1.473 11.767 4.817 1.00 13.24 H new ATOM 0 HD22 LEU A 719 -1.589 11.317 6.534 1.00 13.24 H new ATOM 0 HD23 LEU A 719 -0.033 11.857 5.859 1.00 13.24 H new ATOM 207 N VAL A 720 0.759 8.359 9.522 1.00 53.33 N ATOM 208 CA VAL A 720 1.501 7.559 10.486 1.00 3.03 C ATOM 209 C VAL A 720 0.543 6.804 11.412 1.00 52.33 C ATOM 210 O VAL A 720 0.813 5.668 11.803 1.00 72.51 O ATOM 211 CB VAL A 720 2.463 8.429 11.323 1.00 15.44 C ATOM 212 CG1 VAL A 720 3.260 7.575 12.299 1.00 74.14 C ATOM 213 CG2 VAL A 720 3.399 9.221 10.421 1.00 2.12 C ATOM 0 H VAL A 720 0.839 9.366 9.661 1.00 53.33 H new ATOM 0 HA VAL A 720 2.095 6.839 9.923 1.00 3.03 H new ATOM 0 HB VAL A 720 1.862 9.133 11.898 1.00 15.44 H new ATOM 0 HG11 VAL A 720 3.930 8.212 12.876 1.00 74.14 H new ATOM 0 HG12 VAL A 720 2.576 7.061 12.974 1.00 74.14 H new ATOM 0 HG13 VAL A 720 3.845 6.840 11.746 1.00 74.14 H new ATOM 0 HG21 VAL A 720 4.068 9.827 11.033 1.00 2.12 H new ATOM 0 HG22 VAL A 720 3.987 8.533 9.813 1.00 2.12 H new ATOM 0 HG23 VAL A 720 2.814 9.871 9.771 1.00 2.12 H new ATOM 223 N ARG A 721 -0.594 7.425 11.740 1.00 43.40 N ATOM 224 CA ARG A 721 -1.595 6.772 12.586 1.00 35.54 C ATOM 225 C ARG A 721 -2.141 5.534 11.874 1.00 3.14 C ATOM 226 O ARG A 721 -2.537 4.556 12.507 1.00 71.12 O ATOM 227 CB ARG A 721 -2.744 7.738 12.951 1.00 45.33 C ATOM 228 CG ARG A 721 -3.918 7.723 11.976 1.00 20.14 C ATOM 229 CD ARG A 721 -4.926 8.825 12.271 1.00 33.03 C ATOM 230 NE ARG A 721 -6.040 8.817 11.316 1.00 62.45 N ATOM 231 CZ ARG A 721 -7.084 9.649 11.372 1.00 2.54 C ATOM 232 NH1 ARG A 721 -7.185 10.535 12.352 1.00 32.34 N ATOM 233 NH2 ARG A 721 -8.036 9.584 10.449 1.00 0.53 N ATOM 0 H ARG A 721 -0.842 8.367 11.437 1.00 43.40 H new ATOM 0 HA ARG A 721 -1.114 6.470 13.516 1.00 35.54 H new ATOM 0 HB2 ARG A 721 -3.111 7.486 13.946 1.00 45.33 H new ATOM 0 HB3 ARG A 721 -2.346 8.751 13.005 1.00 45.33 H new ATOM 0 HG2 ARG A 721 -3.544 7.838 10.959 1.00 20.14 H new ATOM 0 HG3 ARG A 721 -4.416 6.755 12.025 1.00 20.14 H new ATOM 0 HD2 ARG A 721 -5.314 8.701 13.282 1.00 33.03 H new ATOM 0 HD3 ARG A 721 -4.426 9.793 12.238 1.00 33.03 H new ATOM 0 HE ARG A 721 -6.016 8.132 10.561 1.00 62.45 H new ATOM 0 HH11 ARG A 721 -6.463 10.585 13.070 1.00 32.34 H new ATOM 0 HH12 ARG A 721 -7.985 11.167 12.388 1.00 32.34 H new ATOM 0 HH21 ARG A 721 -7.971 8.899 9.696 1.00 0.53 H new ATOM 0 HH22 ARG A 721 -8.833 10.219 10.492 1.00 0.53 H new ATOM 247 N TYR A 722 -2.137 5.579 10.545 1.00 2.21 N ATOM 248 CA TYR A 722 -2.602 4.459 9.744 1.00 71.14 C ATOM 249 C TYR A 722 -1.558 3.355 9.675 1.00 42.31 C ATOM 250 O TYR A 722 -1.906 2.183 9.590 1.00 65.33 O ATOM 251 CB TYR A 722 -2.994 4.927 8.345 1.00 43.54 C ATOM 252 CG TYR A 722 -4.289 5.699 8.341 1.00 33.44 C ATOM 253 CD1 TYR A 722 -5.494 5.059 8.596 1.00 53.31 C ATOM 254 CD2 TYR A 722 -4.309 7.063 8.092 1.00 3.34 C ATOM 255 CE1 TYR A 722 -6.682 5.758 8.613 1.00 35.11 C ATOM 256 CE2 TYR A 722 -5.494 7.771 8.103 1.00 20.34 C ATOM 257 CZ TYR A 722 -6.679 7.113 8.365 1.00 54.33 C ATOM 258 OH TYR A 722 -7.865 7.809 8.392 1.00 64.11 O ATOM 0 H TYR A 722 -1.816 6.381 10.003 1.00 2.21 H new ATOM 0 HA TYR A 722 -3.486 4.045 10.228 1.00 71.14 H new ATOM 0 HB2 TYR A 722 -2.200 5.553 7.938 1.00 43.54 H new ATOM 0 HB3 TYR A 722 -3.087 4.062 7.688 1.00 43.54 H new ATOM 0 HD1 TYR A 722 -5.501 3.996 8.784 1.00 53.31 H new ATOM 0 HD2 TYR A 722 -3.383 7.579 7.886 1.00 3.34 H new ATOM 0 HE1 TYR A 722 -7.610 5.246 8.820 1.00 35.11 H new ATOM 0 HE2 TYR A 722 -5.494 8.833 7.908 1.00 20.34 H new ATOM 0 HH TYR A 722 -8.090 8.107 7.486 1.00 64.11 H new ATOM 268 N LEU A 723 -0.284 3.724 9.736 1.00 2.45 N ATOM 269 CA LEU A 723 0.791 2.734 9.778 1.00 34.34 C ATOM 270 C LEU A 723 0.609 1.815 10.982 1.00 73.15 C ATOM 271 O LEU A 723 0.937 0.626 10.933 1.00 23.13 O ATOM 272 CB LEU A 723 2.158 3.419 9.858 1.00 72.12 C ATOM 273 CG LEU A 723 2.541 4.268 8.645 1.00 55.32 C ATOM 274 CD1 LEU A 723 3.895 4.921 8.864 1.00 20.45 C ATOM 275 CD2 LEU A 723 2.555 3.419 7.383 1.00 10.43 C ATOM 0 H LEU A 723 0.031 4.694 9.757 1.00 2.45 H new ATOM 0 HA LEU A 723 0.748 2.145 8.862 1.00 34.34 H new ATOM 0 HB2 LEU A 723 2.176 4.054 10.744 1.00 72.12 H new ATOM 0 HB3 LEU A 723 2.921 2.653 9.999 1.00 72.12 H new ATOM 0 HG LEU A 723 1.795 5.053 8.521 1.00 55.32 H new ATOM 0 HD11 LEU A 723 4.154 5.522 7.992 1.00 20.45 H new ATOM 0 HD12 LEU A 723 3.852 5.560 9.746 1.00 20.45 H new ATOM 0 HD13 LEU A 723 4.651 4.150 9.011 1.00 20.45 H new ATOM 0 HD21 LEU A 723 2.830 4.040 6.530 1.00 10.43 H new ATOM 0 HD22 LEU A 723 3.281 2.614 7.494 1.00 10.43 H new ATOM 0 HD23 LEU A 723 1.565 2.995 7.219 1.00 10.43 H new ATOM 287 N ASN A 724 0.081 2.382 12.058 1.00 30.32 N ATOM 288 CA ASN A 724 -0.218 1.624 13.265 1.00 1.11 C ATOM 289 C ASN A 724 -1.568 0.919 13.145 1.00 3.22 C ATOM 290 O ASN A 724 -1.699 -0.256 13.484 1.00 13.41 O ATOM 291 CB ASN A 724 -0.208 2.556 14.486 1.00 30.54 C ATOM 292 CG ASN A 724 -0.650 1.864 15.765 1.00 40.42 C ATOM 293 OD1 ASN A 724 0.152 1.229 16.449 1.00 45.15 O ATOM 294 ND2 ASN A 724 -1.921 2.007 16.113 1.00 13.31 N ATOM 0 H ASN A 724 -0.151 3.373 12.119 1.00 30.32 H new ATOM 0 HA ASN A 724 0.551 0.862 13.394 1.00 1.11 H new ATOM 0 HB2 ASN A 724 0.797 2.954 14.624 1.00 30.54 H new ATOM 0 HB3 ASN A 724 -0.864 3.405 14.293 1.00 30.54 H new ATOM 0 HD21 ASN A 724 -2.265 1.583 16.975 1.00 13.31 H new ATOM 0 HD22 ASN A 724 -2.555 2.541 15.519 1.00 13.31 H new ATOM 301 N THR A 725 -2.564 1.636 12.643 1.00 0.23 N ATOM 302 CA THR A 725 -3.921 1.112 12.570 1.00 2.44 C ATOM 303 C THR A 725 -4.127 0.262 11.311 1.00 21.01 C ATOM 304 O THR A 725 -4.065 -0.967 11.367 1.00 44.42 O ATOM 305 CB THR A 725 -4.949 2.256 12.605 1.00 43.42 C ATOM 306 OG1 THR A 725 -4.601 3.182 13.641 1.00 21.51 O ATOM 307 CG2 THR A 725 -6.353 1.724 12.854 1.00 54.21 C ATOM 0 H THR A 725 -2.458 2.583 12.280 1.00 0.23 H new ATOM 0 HA THR A 725 -4.071 0.473 13.441 1.00 2.44 H new ATOM 0 HB THR A 725 -4.936 2.757 11.637 1.00 43.42 H new ATOM 0 HG1 THR A 725 -3.853 3.741 13.343 1.00 21.51 H new ATOM 0 HG21 THR A 725 -7.059 2.555 12.874 1.00 54.21 H new ATOM 0 HG22 THR A 725 -6.627 1.034 12.056 1.00 54.21 H new ATOM 0 HG23 THR A 725 -6.380 1.202 13.811 1.00 54.21 H new ATOM 315 N ASN A 726 -4.344 0.916 10.178 1.00 64.33 N ATOM 316 CA ASN A 726 -4.562 0.220 8.915 1.00 71.12 C ATOM 317 C ASN A 726 -4.015 1.055 7.766 1.00 43.33 C ATOM 318 O ASN A 726 -4.569 2.106 7.434 1.00 70.33 O ATOM 319 CB ASN A 726 -6.055 -0.064 8.690 1.00 10.20 C ATOM 320 CG ASN A 726 -6.316 -0.925 7.459 1.00 24.44 C ATOM 321 OD1 ASN A 726 -5.552 -0.914 6.497 1.00 21.14 O ATOM 322 ND2 ASN A 726 -7.409 -1.664 7.468 1.00 31.31 N ATOM 0 H ASN A 726 -4.374 1.933 10.107 1.00 64.33 H new ATOM 0 HA ASN A 726 -4.037 -0.734 8.955 1.00 71.12 H new ATOM 0 HB2 ASN A 726 -6.461 -0.564 9.569 1.00 10.20 H new ATOM 0 HB3 ASN A 726 -6.588 0.881 8.586 1.00 10.20 H new ATOM 0 HD21 ASN A 726 -7.638 -2.246 6.662 1.00 31.31 H new ATOM 0 HD22 ASN A 726 -8.025 -1.653 8.281 1.00 31.31 H new ATOM 329 N PRO A 727 -2.914 0.600 7.155 1.00 75.41 N ATOM 330 CA PRO A 727 -2.267 1.312 6.053 1.00 10.32 C ATOM 331 C PRO A 727 -3.167 1.430 4.827 1.00 41.30 C ATOM 332 O PRO A 727 -3.126 2.430 4.112 1.00 75.42 O ATOM 333 CB PRO A 727 -1.040 0.454 5.734 1.00 4.44 C ATOM 334 CG PRO A 727 -1.349 -0.890 6.294 1.00 31.43 C ATOM 335 CD PRO A 727 -2.206 -0.643 7.501 1.00 2.40 C ATOM 0 HA PRO A 727 -2.023 2.338 6.327 1.00 10.32 H new ATOM 0 HB2 PRO A 727 -0.864 0.402 4.660 1.00 4.44 H new ATOM 0 HB3 PRO A 727 -0.140 0.871 6.185 1.00 4.44 H new ATOM 0 HG2 PRO A 727 -1.871 -1.507 5.563 1.00 31.43 H new ATOM 0 HG3 PRO A 727 -0.436 -1.420 6.565 1.00 31.43 H new ATOM 0 HD2 PRO A 727 -2.898 -1.466 7.680 1.00 2.40 H new ATOM 0 HD3 PRO A 727 -1.607 -0.528 8.405 1.00 2.40 H new ATOM 343 N VAL A 728 -3.993 0.411 4.600 1.00 10.21 N ATOM 344 CA VAL A 728 -4.882 0.384 3.445 1.00 33.12 C ATOM 345 C VAL A 728 -5.884 1.526 3.527 1.00 23.24 C ATOM 346 O VAL A 728 -6.064 2.283 2.572 1.00 61.02 O ATOM 347 CB VAL A 728 -5.639 -0.959 3.341 1.00 72.31 C ATOM 348 CG1 VAL A 728 -6.531 -0.987 2.108 1.00 2.45 C ATOM 349 CG2 VAL A 728 -4.661 -2.124 3.320 1.00 55.34 C ATOM 0 H VAL A 728 -4.064 -0.408 5.204 1.00 10.21 H new ATOM 0 HA VAL A 728 -4.265 0.499 2.553 1.00 33.12 H new ATOM 0 HB VAL A 728 -6.275 -1.058 4.221 1.00 72.31 H new ATOM 0 HG11 VAL A 728 -7.053 -1.943 2.058 1.00 2.45 H new ATOM 0 HG12 VAL A 728 -7.260 -0.179 2.168 1.00 2.45 H new ATOM 0 HG13 VAL A 728 -5.920 -0.860 1.214 1.00 2.45 H new ATOM 0 HG21 VAL A 728 -5.213 -3.061 3.246 1.00 55.34 H new ATOM 0 HG22 VAL A 728 -3.997 -2.026 2.462 1.00 55.34 H new ATOM 0 HG23 VAL A 728 -4.072 -2.121 4.237 1.00 55.34 H new ATOM 359 N GLY A 729 -6.505 1.663 4.691 1.00 71.50 N ATOM 360 CA GLY A 729 -7.463 2.729 4.903 1.00 25.32 C ATOM 361 C GLY A 729 -6.806 4.095 4.865 1.00 40.14 C ATOM 362 O GLY A 729 -7.458 5.099 4.581 1.00 24.34 O ATOM 0 H GLY A 729 -6.361 1.052 5.495 1.00 71.50 H new ATOM 0 HA2 GLY A 729 -8.238 2.678 4.139 1.00 25.32 H new ATOM 0 HA3 GLY A 729 -7.955 2.589 5.866 1.00 25.32 H new ATOM 366 N GLY A 730 -5.510 4.128 5.157 1.00 15.22 N ATOM 367 CA GLY A 730 -4.764 5.368 5.114 1.00 30.42 C ATOM 368 C GLY A 730 -4.380 5.768 3.707 1.00 42.23 C ATOM 369 O GLY A 730 -4.418 6.947 3.358 1.00 64.33 O ATOM 0 H GLY A 730 -4.961 3.311 5.424 1.00 15.22 H new ATOM 0 HA2 GLY A 730 -5.360 6.162 5.563 1.00 30.42 H new ATOM 0 HA3 GLY A 730 -3.862 5.266 5.718 1.00 30.42 H new ATOM 373 N LEU A 731 -4.006 4.787 2.897 1.00 63.32 N ATOM 374 CA LEU A 731 -3.645 5.037 1.509 1.00 64.02 C ATOM 375 C LEU A 731 -4.871 5.530 0.742 1.00 14.55 C ATOM 376 O LEU A 731 -4.788 6.469 -0.051 1.00 5.42 O ATOM 377 CB LEU A 731 -3.065 3.755 0.886 1.00 53.23 C ATOM 378 CG LEU A 731 -2.311 3.923 -0.444 1.00 4.31 C ATOM 379 CD1 LEU A 731 -3.274 3.989 -1.618 1.00 72.14 C ATOM 380 CD2 LEU A 731 -1.434 5.168 -0.412 1.00 65.31 C ATOM 0 H LEU A 731 -3.945 3.809 3.178 1.00 63.32 H new ATOM 0 HA LEU A 731 -2.880 5.812 1.456 1.00 64.02 H new ATOM 0 HB2 LEU A 731 -2.387 3.300 1.608 1.00 53.23 H new ATOM 0 HB3 LEU A 731 -3.882 3.051 0.729 1.00 53.23 H new ATOM 0 HG LEU A 731 -1.673 3.049 -0.576 1.00 4.31 H new ATOM 0 HD11 LEU A 731 -2.711 4.108 -2.544 1.00 72.14 H new ATOM 0 HD12 LEU A 731 -3.856 3.069 -1.663 1.00 72.14 H new ATOM 0 HD13 LEU A 731 -3.946 4.838 -1.490 1.00 72.14 H new ATOM 0 HD21 LEU A 731 -0.910 5.268 -1.362 1.00 65.31 H new ATOM 0 HD22 LEU A 731 -2.056 6.047 -0.247 1.00 65.31 H new ATOM 0 HD23 LEU A 731 -0.708 5.081 0.396 1.00 65.31 H new ATOM 392 N LEU A 732 -6.013 4.903 1.010 1.00 62.20 N ATOM 393 CA LEU A 732 -7.277 5.327 0.419 1.00 61.20 C ATOM 394 C LEU A 732 -7.638 6.730 0.898 1.00 31.34 C ATOM 395 O LEU A 732 -8.140 7.550 0.132 1.00 43.34 O ATOM 396 CB LEU A 732 -8.390 4.343 0.787 1.00 10.52 C ATOM 397 CG LEU A 732 -8.185 2.908 0.298 1.00 71.44 C ATOM 398 CD1 LEU A 732 -9.272 1.998 0.848 1.00 23.11 C ATOM 399 CD2 LEU A 732 -8.173 2.856 -1.220 1.00 23.14 C ATOM 0 H LEU A 732 -6.088 4.099 1.633 1.00 62.20 H new ATOM 0 HA LEU A 732 -7.167 5.343 -0.665 1.00 61.20 H new ATOM 0 HB2 LEU A 732 -8.494 4.328 1.872 1.00 10.52 H new ATOM 0 HB3 LEU A 732 -9.330 4.716 0.382 1.00 10.52 H new ATOM 0 HG LEU A 732 -7.220 2.558 0.663 1.00 71.44 H new ATOM 0 HD11 LEU A 732 -9.111 0.981 0.490 1.00 23.11 H new ATOM 0 HD12 LEU A 732 -9.239 2.009 1.937 1.00 23.11 H new ATOM 0 HD13 LEU A 732 -10.247 2.351 0.511 1.00 23.11 H new ATOM 0 HD21 LEU A 732 -8.026 1.827 -1.548 1.00 23.14 H new ATOM 0 HD22 LEU A 732 -9.123 3.227 -1.604 1.00 23.14 H new ATOM 0 HD23 LEU A 732 -7.361 3.477 -1.599 1.00 23.14 H new ATOM 411 N GLU A 733 -7.346 7.002 2.166 1.00 53.24 N ATOM 412 CA GLU A 733 -7.623 8.267 2.788 1.00 4.20 C ATOM 413 C GLU A 733 -6.795 9.381 2.148 1.00 65.41 C ATOM 414 O GLU A 733 -7.325 10.428 1.769 1.00 71.42 O ATOM 415 CB GLU A 733 -7.277 8.107 4.252 1.00 51.23 C ATOM 416 CG GLU A 733 -7.275 9.380 5.032 1.00 74.11 C ATOM 417 CD GLU A 733 -8.651 9.754 5.522 1.00 55.15 C ATOM 418 OE1 GLU A 733 -9.117 9.136 6.502 1.00 41.22 O ATOM 419 OE2 GLU A 733 -9.280 10.648 4.931 1.00 40.15 O ATOM 0 H GLU A 733 -6.902 6.329 2.791 1.00 53.24 H new ATOM 0 HA GLU A 733 -8.669 8.547 2.662 1.00 4.20 H new ATOM 0 HB2 GLU A 733 -7.989 7.418 4.707 1.00 51.23 H new ATOM 0 HB3 GLU A 733 -6.292 7.646 4.331 1.00 51.23 H new ATOM 0 HG2 GLU A 733 -6.603 9.280 5.884 1.00 74.11 H new ATOM 0 HG3 GLU A 733 -6.883 10.184 4.410 1.00 74.11 H new ATOM 426 N TYR A 734 -5.498 9.133 2.024 1.00 52.14 N ATOM 427 CA TYR A 734 -4.581 10.073 1.403 1.00 32.54 C ATOM 428 C TYR A 734 -5.058 10.448 0.006 1.00 15.21 C ATOM 429 O TYR A 734 -5.121 11.626 -0.347 1.00 44.14 O ATOM 430 CB TYR A 734 -3.180 9.455 1.345 1.00 45.14 C ATOM 431 CG TYR A 734 -2.270 10.068 0.305 1.00 35.44 C ATOM 432 CD1 TYR A 734 -1.530 11.211 0.575 1.00 53.52 C ATOM 433 CD2 TYR A 734 -2.150 9.490 -0.954 1.00 0.21 C ATOM 434 CE1 TYR A 734 -0.697 11.761 -0.382 1.00 54.04 C ATOM 435 CE2 TYR A 734 -1.321 10.033 -1.913 1.00 72.33 C ATOM 436 CZ TYR A 734 -0.595 11.170 -1.623 1.00 62.22 C ATOM 437 OH TYR A 734 0.238 11.715 -2.577 1.00 31.42 O ATOM 0 H TYR A 734 -5.055 8.275 2.351 1.00 52.14 H new ATOM 0 HA TYR A 734 -4.547 10.984 2.001 1.00 32.54 H new ATOM 0 HB2 TYR A 734 -2.711 9.554 2.324 1.00 45.14 H new ATOM 0 HB3 TYR A 734 -3.275 8.388 1.144 1.00 45.14 H new ATOM 0 HD1 TYR A 734 -1.606 11.677 1.546 1.00 53.52 H new ATOM 0 HD2 TYR A 734 -2.716 8.600 -1.185 1.00 0.21 H new ATOM 0 HE1 TYR A 734 -0.128 12.651 -0.158 1.00 54.04 H new ATOM 0 HE2 TYR A 734 -1.240 9.571 -2.886 1.00 72.33 H new ATOM 0 HH TYR A 734 0.195 11.177 -3.395 1.00 31.42 H new ATOM 447 N ALA A 735 -5.407 9.437 -0.777 1.00 44.54 N ATOM 448 CA ALA A 735 -5.832 9.649 -2.146 1.00 73.54 C ATOM 449 C ALA A 735 -7.162 10.389 -2.202 1.00 41.12 C ATOM 450 O ALA A 735 -7.297 11.374 -2.923 1.00 75.23 O ATOM 451 CB ALA A 735 -5.926 8.322 -2.877 1.00 41.31 C ATOM 0 H ALA A 735 -5.403 8.460 -0.483 1.00 44.54 H new ATOM 0 HA ALA A 735 -5.086 10.270 -2.642 1.00 73.54 H new ATOM 0 HB1 ALA A 735 -6.246 8.495 -3.905 1.00 41.31 H new ATOM 0 HB2 ALA A 735 -4.950 7.837 -2.878 1.00 41.31 H new ATOM 0 HB3 ALA A 735 -6.650 7.680 -2.374 1.00 41.31 H new ATOM 457 N ARG A 736 -8.126 9.928 -1.412 1.00 52.10 N ATOM 458 CA ARG A 736 -9.480 10.480 -1.439 1.00 32.43 C ATOM 459 C ARG A 736 -9.486 11.956 -1.044 1.00 23.33 C ATOM 460 O ARG A 736 -10.298 12.739 -1.533 1.00 15.11 O ATOM 461 CB ARG A 736 -10.395 9.674 -0.509 1.00 41.55 C ATOM 462 CG ARG A 736 -10.265 10.026 0.965 1.00 50.31 C ATOM 463 CD ARG A 736 -11.100 9.108 1.841 1.00 24.42 C ATOM 464 NE ARG A 736 -11.094 9.539 3.237 1.00 34.11 N ATOM 465 CZ ARG A 736 -12.093 9.324 4.089 1.00 22.44 C ATOM 466 NH1 ARG A 736 -13.187 8.683 3.698 1.00 25.34 N ATOM 467 NH2 ARG A 736 -11.995 9.750 5.338 1.00 53.24 N ATOM 0 H ARG A 736 -7.996 9.170 -0.742 1.00 52.10 H new ATOM 0 HA ARG A 736 -9.856 10.407 -2.460 1.00 32.43 H new ATOM 0 HB2 ARG A 736 -11.430 9.827 -0.816 1.00 41.55 H new ATOM 0 HB3 ARG A 736 -10.178 8.613 -0.637 1.00 41.55 H new ATOM 0 HG2 ARG A 736 -9.219 9.960 1.263 1.00 50.31 H new ATOM 0 HG3 ARG A 736 -10.576 11.059 1.121 1.00 50.31 H new ATOM 0 HD2 ARG A 736 -12.125 9.086 1.472 1.00 24.42 H new ATOM 0 HD3 ARG A 736 -10.715 8.091 1.773 1.00 24.42 H new ATOM 0 HE ARG A 736 -10.272 10.036 3.580 1.00 34.11 H new ATOM 0 HH11 ARG A 736 -13.267 8.350 2.737 1.00 25.34 H new ATOM 0 HH12 ARG A 736 -13.948 8.523 4.358 1.00 25.34 H new ATOM 0 HH21 ARG A 736 -11.156 10.241 5.645 1.00 53.24 H new ATOM 0 HH22 ARG A 736 -12.759 9.587 5.994 1.00 53.24 H new ATOM 481 N SER A 737 -8.580 12.323 -0.155 1.00 51.04 N ATOM 482 CA SER A 737 -8.464 13.702 0.296 1.00 32.31 C ATOM 483 C SER A 737 -7.690 14.546 -0.717 1.00 45.11 C ATOM 484 O SER A 737 -8.020 15.708 -0.953 1.00 75.45 O ATOM 485 CB SER A 737 -7.774 13.751 1.663 1.00 35.03 C ATOM 486 OG SER A 737 -7.612 15.084 2.122 1.00 64.41 O ATOM 0 H SER A 737 -7.910 11.683 0.272 1.00 51.04 H new ATOM 0 HA SER A 737 -9.467 14.118 0.388 1.00 32.31 H new ATOM 0 HB2 SER A 737 -8.361 13.186 2.387 1.00 35.03 H new ATOM 0 HB3 SER A 737 -6.799 13.268 1.596 1.00 35.03 H new ATOM 0 HG SER A 737 -7.170 15.077 2.997 1.00 64.41 H new ATOM 492 N HIS A 738 -6.678 13.950 -1.333 1.00 52.41 N ATOM 493 CA HIS A 738 -5.772 14.693 -2.202 1.00 34.15 C ATOM 494 C HIS A 738 -6.228 14.673 -3.659 1.00 25.13 C ATOM 495 O HIS A 738 -5.594 15.280 -4.521 1.00 65.21 O ATOM 496 CB HIS A 738 -4.347 14.142 -2.078 1.00 11.54 C ATOM 497 CG HIS A 738 -3.677 14.493 -0.776 1.00 64.41 C ATOM 498 ND1 HIS A 738 -2.316 14.661 -0.646 1.00 61.41 N ATOM 499 CD2 HIS A 738 -4.193 14.696 0.461 1.00 3.42 C ATOM 500 CE1 HIS A 738 -2.025 14.949 0.611 1.00 64.14 C ATOM 501 NE2 HIS A 738 -3.149 14.980 1.306 1.00 42.45 N ATOM 0 H HIS A 738 -6.463 12.957 -1.248 1.00 52.41 H new ATOM 0 HA HIS A 738 -5.784 15.733 -1.875 1.00 34.15 H new ATOM 0 HB2 HIS A 738 -4.375 13.057 -2.182 1.00 11.54 H new ATOM 0 HB3 HIS A 738 -3.745 14.525 -2.902 1.00 11.54 H new ATOM 0 HD2 HIS A 738 -5.237 14.644 0.733 1.00 3.42 H new ATOM 0 HE1 HIS A 738 -1.035 15.129 1.004 1.00 64.14 H new ATOM 0 HE2 HIS A 738 -3.227 15.181 2.303 1.00 42.45 H new ATOM 510 N GLY A 739 -7.317 13.968 -3.933 1.00 4.34 N ATOM 511 CA GLY A 739 -7.886 13.976 -5.268 1.00 73.44 C ATOM 512 C GLY A 739 -7.313 12.893 -6.161 1.00 74.44 C ATOM 513 O GLY A 739 -7.499 12.918 -7.378 1.00 52.02 O ATOM 0 H GLY A 739 -7.817 13.391 -3.256 1.00 4.34 H new ATOM 0 HA2 GLY A 739 -8.966 13.848 -5.198 1.00 73.44 H new ATOM 0 HA3 GLY A 739 -7.710 14.949 -5.727 1.00 73.44 H new ATOM 517 N PHE A 740 -6.612 11.944 -5.566 1.00 65.22 N ATOM 518 CA PHE A 740 -6.067 10.822 -6.317 1.00 13.31 C ATOM 519 C PHE A 740 -6.974 9.603 -6.198 1.00 15.44 C ATOM 520 O PHE A 740 -7.764 9.493 -5.260 1.00 52.14 O ATOM 521 CB PHE A 740 -4.666 10.466 -5.820 1.00 54.34 C ATOM 522 CG PHE A 740 -3.644 11.538 -6.052 1.00 43.22 C ATOM 523 CD1 PHE A 740 -3.009 11.658 -7.279 1.00 13.50 C ATOM 524 CD2 PHE A 740 -3.314 12.426 -5.042 1.00 30.45 C ATOM 525 CE1 PHE A 740 -2.066 12.643 -7.493 1.00 11.53 C ATOM 526 CE2 PHE A 740 -2.370 13.413 -5.249 1.00 11.03 C ATOM 527 CZ PHE A 740 -1.745 13.522 -6.476 1.00 42.21 C ATOM 0 H PHE A 740 -6.406 11.926 -4.567 1.00 65.22 H new ATOM 0 HA PHE A 740 -6.007 11.121 -7.364 1.00 13.31 H new ATOM 0 HB2 PHE A 740 -4.715 10.250 -4.753 1.00 54.34 H new ATOM 0 HB3 PHE A 740 -4.338 9.552 -6.315 1.00 54.34 H new ATOM 0 HD1 PHE A 740 -3.255 10.973 -8.077 1.00 13.50 H new ATOM 0 HD2 PHE A 740 -3.800 12.346 -4.081 1.00 30.45 H new ATOM 0 HE1 PHE A 740 -1.580 12.727 -8.454 1.00 11.53 H new ATOM 0 HE2 PHE A 740 -2.121 14.099 -4.453 1.00 11.03 H new ATOM 0 HZ PHE A 740 -1.007 14.293 -6.640 1.00 42.21 H new ATOM 537 N ALA A 741 -6.861 8.695 -7.152 1.00 52.11 N ATOM 538 CA ALA A 741 -7.605 7.448 -7.106 1.00 41.41 C ATOM 539 C ALA A 741 -6.685 6.324 -6.659 1.00 22.12 C ATOM 540 O ALA A 741 -5.724 5.998 -7.352 1.00 24.13 O ATOM 541 CB ALA A 741 -8.216 7.136 -8.465 1.00 21.55 C ATOM 0 H ALA A 741 -6.260 8.798 -7.970 1.00 52.11 H new ATOM 0 HA ALA A 741 -8.420 7.546 -6.389 1.00 41.41 H new ATOM 0 HB1 ALA A 741 -8.769 6.198 -8.409 1.00 21.55 H new ATOM 0 HB2 ALA A 741 -8.894 7.940 -8.753 1.00 21.55 H new ATOM 0 HB3 ALA A 741 -7.424 7.046 -9.208 1.00 21.55 H new ATOM 547 N ALA A 742 -6.966 5.758 -5.496 1.00 44.42 N ATOM 548 CA ALA A 742 -6.122 4.715 -4.932 1.00 61.11 C ATOM 549 C ALA A 742 -6.614 3.335 -5.340 1.00 21.21 C ATOM 550 O ALA A 742 -7.711 2.924 -4.966 1.00 2.41 O ATOM 551 CB ALA A 742 -6.086 4.835 -3.419 1.00 13.04 C ATOM 0 H ALA A 742 -7.773 6.003 -4.923 1.00 44.42 H new ATOM 0 HA ALA A 742 -5.113 4.843 -5.323 1.00 61.11 H new ATOM 0 HB1 ALA A 742 -5.452 4.050 -3.007 1.00 13.04 H new ATOM 0 HB2 ALA A 742 -5.685 5.809 -3.141 1.00 13.04 H new ATOM 0 HB3 ALA A 742 -7.096 4.732 -3.022 1.00 13.04 H new ATOM 557 N GLU A 743 -5.806 2.630 -6.113 1.00 65.30 N ATOM 558 CA GLU A 743 -6.172 1.307 -6.598 1.00 33.34 C ATOM 559 C GLU A 743 -5.092 0.286 -6.264 1.00 53.52 C ATOM 560 O GLU A 743 -3.907 0.528 -6.481 1.00 45.03 O ATOM 561 CB GLU A 743 -6.412 1.346 -8.108 1.00 34.04 C ATOM 562 CG GLU A 743 -7.568 2.244 -8.514 1.00 41.25 C ATOM 563 CD GLU A 743 -7.794 2.274 -10.008 1.00 3.14 C ATOM 564 OE1 GLU A 743 -8.252 1.254 -10.563 1.00 10.31 O ATOM 565 OE2 GLU A 743 -7.519 3.320 -10.637 1.00 30.41 O ATOM 0 H GLU A 743 -4.888 2.952 -6.420 1.00 65.30 H new ATOM 0 HA GLU A 743 -7.093 1.004 -6.100 1.00 33.34 H new ATOM 0 HB2 GLU A 743 -5.504 1.689 -8.604 1.00 34.04 H new ATOM 0 HB3 GLU A 743 -6.606 0.334 -8.463 1.00 34.04 H new ATOM 0 HG2 GLU A 743 -8.478 1.901 -8.021 1.00 41.25 H new ATOM 0 HG3 GLU A 743 -7.376 3.257 -8.160 1.00 41.25 H new ATOM 572 N PHE A 744 -5.508 -0.850 -5.733 1.00 52.41 N ATOM 573 CA PHE A 744 -4.581 -1.913 -5.373 1.00 24.31 C ATOM 574 C PHE A 744 -4.679 -3.059 -6.370 1.00 72.53 C ATOM 575 O PHE A 744 -5.601 -3.872 -6.298 1.00 10.52 O ATOM 576 CB PHE A 744 -4.871 -2.441 -3.964 1.00 42.51 C ATOM 577 CG PHE A 744 -4.594 -1.453 -2.867 1.00 50.11 C ATOM 578 CD1 PHE A 744 -5.549 -0.520 -2.497 1.00 63.12 C ATOM 579 CD2 PHE A 744 -3.381 -1.467 -2.203 1.00 61.33 C ATOM 580 CE1 PHE A 744 -5.297 0.383 -1.483 1.00 13.35 C ATOM 581 CE2 PHE A 744 -3.123 -0.568 -1.187 1.00 14.21 C ATOM 582 CZ PHE A 744 -4.083 0.358 -0.825 1.00 4.42 C ATOM 0 H PHE A 744 -6.487 -1.063 -5.540 1.00 52.41 H new ATOM 0 HA PHE A 744 -3.573 -1.498 -5.392 1.00 24.31 H new ATOM 0 HB2 PHE A 744 -5.917 -2.744 -3.910 1.00 42.51 H new ATOM 0 HB3 PHE A 744 -4.271 -3.335 -3.793 1.00 42.51 H new ATOM 0 HD1 PHE A 744 -6.501 -0.499 -3.007 1.00 63.12 H new ATOM 0 HD2 PHE A 744 -2.627 -2.189 -2.482 1.00 61.33 H new ATOM 0 HE1 PHE A 744 -6.048 1.108 -1.205 1.00 13.35 H new ATOM 0 HE2 PHE A 744 -2.172 -0.589 -0.676 1.00 14.21 H new ATOM 0 HZ PHE A 744 -3.884 1.061 -0.029 1.00 4.42 H new ATOM 592 N LYS A 745 -3.740 -3.119 -7.298 1.00 64.40 N ATOM 593 CA LYS A 745 -3.759 -4.166 -8.306 1.00 44.33 C ATOM 594 C LYS A 745 -2.726 -5.240 -8.003 1.00 35.12 C ATOM 595 O LYS A 745 -1.613 -4.948 -7.553 1.00 12.34 O ATOM 596 CB LYS A 745 -3.517 -3.599 -9.708 1.00 44.22 C ATOM 597 CG LYS A 745 -2.223 -2.812 -9.851 1.00 65.24 C ATOM 598 CD LYS A 745 -1.605 -2.995 -11.231 1.00 61.05 C ATOM 599 CE LYS A 745 -2.615 -2.765 -12.345 1.00 1.01 C ATOM 600 NZ LYS A 745 -2.027 -3.020 -13.685 1.00 23.55 N ATOM 0 H LYS A 745 -2.963 -2.463 -7.375 1.00 64.40 H new ATOM 0 HA LYS A 745 -4.752 -4.615 -8.280 1.00 44.33 H new ATOM 0 HB2 LYS A 745 -3.509 -4.421 -10.423 1.00 44.22 H new ATOM 0 HB3 LYS A 745 -4.353 -2.952 -9.975 1.00 44.22 H new ATOM 0 HG2 LYS A 745 -2.419 -1.754 -9.677 1.00 65.24 H new ATOM 0 HG3 LYS A 745 -1.514 -3.135 -9.089 1.00 65.24 H new ATOM 0 HD2 LYS A 745 -0.771 -2.303 -11.349 1.00 61.05 H new ATOM 0 HD3 LYS A 745 -1.197 -4.002 -11.314 1.00 61.05 H new ATOM 0 HE2 LYS A 745 -3.475 -3.417 -12.196 1.00 1.01 H new ATOM 0 HE3 LYS A 745 -2.981 -1.739 -12.298 1.00 1.01 H new ATOM 0 HZ1 LYS A 745 -2.746 -2.853 -14.417 1.00 23.55 H new ATOM 0 HZ2 LYS A 745 -1.221 -2.380 -13.838 1.00 23.55 H new ATOM 0 HZ3 LYS A 745 -1.701 -4.006 -13.739 1.00 23.55 H new ATOM 614 N LEU A 746 -3.107 -6.482 -8.247 1.00 54.52 N ATOM 615 CA LEU A 746 -2.200 -7.603 -8.102 1.00 60.24 C ATOM 616 C LEU A 746 -1.433 -7.769 -9.406 1.00 72.22 C ATOM 617 O LEU A 746 -2.005 -8.141 -10.433 1.00 64.11 O ATOM 618 CB LEU A 746 -2.990 -8.875 -7.748 1.00 34.54 C ATOM 619 CG LEU A 746 -2.170 -10.052 -7.201 1.00 71.10 C ATOM 620 CD1 LEU A 746 -3.081 -11.032 -6.477 1.00 53.44 C ATOM 621 CD2 LEU A 746 -1.423 -10.770 -8.316 1.00 42.41 C ATOM 0 H LEU A 746 -4.047 -6.739 -8.549 1.00 54.52 H new ATOM 0 HA LEU A 746 -1.493 -7.422 -7.293 1.00 60.24 H new ATOM 0 HB2 LEU A 746 -3.748 -8.613 -7.010 1.00 34.54 H new ATOM 0 HB3 LEU A 746 -3.517 -9.210 -8.641 1.00 34.54 H new ATOM 0 HG LEU A 746 -1.436 -9.653 -6.501 1.00 71.10 H new ATOM 0 HD11 LEU A 746 -2.489 -11.863 -6.093 1.00 53.44 H new ATOM 0 HD12 LEU A 746 -3.575 -10.525 -5.648 1.00 53.44 H new ATOM 0 HD13 LEU A 746 -3.832 -11.411 -7.170 1.00 53.44 H new ATOM 0 HD21 LEU A 746 -0.852 -11.598 -7.897 1.00 42.41 H new ATOM 0 HD22 LEU A 746 -2.137 -11.154 -9.044 1.00 42.41 H new ATOM 0 HD23 LEU A 746 -0.744 -10.073 -8.807 1.00 42.41 H new ATOM 633 N VAL A 747 -0.147 -7.459 -9.368 1.00 13.44 N ATOM 634 CA VAL A 747 0.679 -7.492 -10.565 1.00 30.42 C ATOM 635 C VAL A 747 0.995 -8.929 -10.950 1.00 72.41 C ATOM 636 O VAL A 747 0.724 -9.355 -12.072 1.00 15.22 O ATOM 637 CB VAL A 747 1.998 -6.712 -10.364 1.00 3.35 C ATOM 638 CG1 VAL A 747 2.795 -6.656 -11.659 1.00 25.31 C ATOM 639 CG2 VAL A 747 1.712 -5.310 -9.849 1.00 64.12 C ATOM 0 H VAL A 747 0.348 -7.181 -8.521 1.00 13.44 H new ATOM 0 HA VAL A 747 0.114 -7.014 -11.366 1.00 30.42 H new ATOM 0 HB VAL A 747 2.597 -7.237 -9.620 1.00 3.35 H new ATOM 0 HG11 VAL A 747 3.719 -6.102 -11.494 1.00 25.31 H new ATOM 0 HG12 VAL A 747 3.032 -7.669 -11.984 1.00 25.31 H new ATOM 0 HG13 VAL A 747 2.205 -6.157 -12.428 1.00 25.31 H new ATOM 0 HG21 VAL A 747 2.651 -4.774 -9.713 1.00 64.12 H new ATOM 0 HG22 VAL A 747 1.091 -4.777 -10.569 1.00 64.12 H new ATOM 0 HG23 VAL A 747 1.188 -5.373 -8.895 1.00 64.12 H new ATOM 649 N ASP A 748 1.536 -9.678 -10.002 1.00 25.52 N ATOM 650 CA ASP A 748 1.917 -11.062 -10.240 1.00 5.34 C ATOM 651 C ASP A 748 1.961 -11.811 -8.919 1.00 52.24 C ATOM 652 O ASP A 748 2.122 -11.197 -7.871 1.00 51.05 O ATOM 653 CB ASP A 748 3.286 -11.123 -10.931 1.00 30.31 C ATOM 654 CG ASP A 748 3.684 -12.533 -11.315 1.00 33.20 C ATOM 655 OD1 ASP A 748 3.193 -13.029 -12.351 1.00 11.33 O ATOM 656 OD2 ASP A 748 4.491 -13.149 -10.591 1.00 50.12 O ATOM 0 H ASP A 748 1.722 -9.348 -9.055 1.00 25.52 H new ATOM 0 HA ASP A 748 1.180 -11.530 -10.892 1.00 5.34 H new ATOM 0 HB2 ASP A 748 3.266 -10.499 -11.825 1.00 30.31 H new ATOM 0 HB3 ASP A 748 4.042 -10.704 -10.267 1.00 30.31 H new ATOM 661 N GLN A 749 1.790 -13.119 -8.953 1.00 12.10 N ATOM 662 CA GLN A 749 1.874 -13.912 -7.739 1.00 14.20 C ATOM 663 C GLN A 749 2.608 -15.221 -7.993 1.00 13.21 C ATOM 664 O GLN A 749 2.039 -16.191 -8.492 1.00 40.24 O ATOM 665 CB GLN A 749 0.481 -14.161 -7.139 1.00 13.12 C ATOM 666 CG GLN A 749 -0.526 -14.777 -8.098 1.00 74.02 C ATOM 667 CD GLN A 749 -1.878 -14.998 -7.454 1.00 10.31 C ATOM 668 OE1 GLN A 749 -2.741 -14.121 -7.471 1.00 72.41 O ATOM 669 NE2 GLN A 749 -2.085 -16.183 -6.898 1.00 64.44 N ATOM 0 H GLN A 749 1.594 -13.652 -9.800 1.00 12.10 H new ATOM 0 HA GLN A 749 2.449 -13.344 -7.008 1.00 14.20 H new ATOM 0 HB2 GLN A 749 0.585 -14.816 -6.274 1.00 13.12 H new ATOM 0 HB3 GLN A 749 0.083 -13.214 -6.775 1.00 13.12 H new ATOM 0 HG2 GLN A 749 -0.642 -14.127 -8.965 1.00 74.02 H new ATOM 0 HG3 GLN A 749 -0.141 -15.729 -8.463 1.00 74.02 H new ATOM 0 HE21 GLN A 749 -1.345 -16.885 -6.903 1.00 64.44 H new ATOM 0 HE22 GLN A 749 -2.984 -16.393 -6.465 1.00 64.44 H new ATOM 678 N SER A 750 3.893 -15.225 -7.682 1.00 63.24 N ATOM 679 CA SER A 750 4.694 -16.431 -7.769 1.00 40.11 C ATOM 680 C SER A 750 4.624 -17.156 -6.433 1.00 12.24 C ATOM 681 O SER A 750 5.273 -16.759 -5.462 1.00 12.14 O ATOM 682 CB SER A 750 6.144 -16.092 -8.132 1.00 1.35 C ATOM 683 OG SER A 750 6.930 -17.265 -8.296 1.00 40.13 O ATOM 0 H SER A 750 4.405 -14.401 -7.366 1.00 63.24 H new ATOM 0 HA SER A 750 4.304 -17.077 -8.555 1.00 40.11 H new ATOM 0 HB2 SER A 750 6.162 -15.509 -9.053 1.00 1.35 H new ATOM 0 HB3 SER A 750 6.579 -15.468 -7.351 1.00 1.35 H new ATOM 0 HG SER A 750 7.848 -17.014 -8.528 1.00 40.13 H new ATOM 689 N GLY A 751 3.812 -18.202 -6.376 1.00 3.04 N ATOM 690 CA GLY A 751 3.580 -18.872 -5.120 1.00 54.41 C ATOM 691 C GLY A 751 3.977 -20.333 -5.128 1.00 44.31 C ATOM 692 O GLY A 751 3.121 -21.202 -5.302 1.00 50.31 O ATOM 0 H GLY A 751 3.314 -18.595 -7.175 1.00 3.04 H new ATOM 0 HA2 GLY A 751 4.136 -18.358 -4.336 1.00 54.41 H new ATOM 0 HA3 GLY A 751 2.523 -18.793 -4.866 1.00 54.41 H new ATOM 696 N PRO A 752 5.271 -20.639 -4.951 1.00 14.35 N ATOM 697 CA PRO A 752 5.724 -22.013 -4.737 1.00 23.43 C ATOM 698 C PRO A 752 5.171 -22.559 -3.422 1.00 45.51 C ATOM 699 O PRO A 752 4.777 -21.788 -2.548 1.00 1.22 O ATOM 700 CB PRO A 752 7.251 -21.891 -4.681 1.00 14.20 C ATOM 701 CG PRO A 752 7.516 -20.465 -4.344 1.00 55.44 C ATOM 702 CD PRO A 752 6.392 -19.683 -4.957 1.00 52.23 C ATOM 0 HA PRO A 752 5.388 -22.698 -5.515 1.00 23.43 H new ATOM 0 HB2 PRO A 752 7.672 -22.558 -3.929 1.00 14.20 H new ATOM 0 HB3 PRO A 752 7.703 -22.161 -5.635 1.00 14.20 H new ATOM 0 HG2 PRO A 752 7.551 -20.319 -3.264 1.00 55.44 H new ATOM 0 HG3 PRO A 752 8.479 -20.142 -4.741 1.00 55.44 H new ATOM 0 HD2 PRO A 752 6.161 -18.789 -4.378 1.00 52.23 H new ATOM 0 HD3 PRO A 752 6.635 -19.354 -5.967 1.00 52.23 H new ATOM 710 N PRO A 753 5.137 -23.885 -3.253 1.00 62.31 N ATOM 711 CA PRO A 753 4.528 -24.515 -2.075 1.00 13.23 C ATOM 712 C PRO A 753 5.173 -24.083 -0.762 1.00 5.32 C ATOM 713 O PRO A 753 4.526 -24.081 0.289 1.00 75.02 O ATOM 714 CB PRO A 753 4.750 -26.012 -2.303 1.00 12.13 C ATOM 715 CG PRO A 753 5.827 -26.102 -3.327 1.00 54.12 C ATOM 716 CD PRO A 753 5.686 -24.882 -4.185 1.00 24.23 C ATOM 0 HA PRO A 753 3.480 -24.232 -1.978 1.00 13.23 H new ATOM 0 HB2 PRO A 753 5.044 -26.510 -1.379 1.00 12.13 H new ATOM 0 HB3 PRO A 753 3.837 -26.496 -2.650 1.00 12.13 H new ATOM 0 HG2 PRO A 753 6.810 -26.137 -2.857 1.00 54.12 H new ATOM 0 HG3 PRO A 753 5.725 -27.010 -3.921 1.00 54.12 H new ATOM 0 HD2 PRO A 753 6.644 -24.565 -4.597 1.00 24.23 H new ATOM 0 HD3 PRO A 753 5.018 -25.057 -5.029 1.00 24.23 H new ATOM 724 N HIS A 754 6.443 -23.709 -0.822 1.00 4.22 N ATOM 725 CA HIS A 754 7.185 -23.346 0.378 1.00 15.13 C ATOM 726 C HIS A 754 7.110 -21.845 0.653 1.00 14.00 C ATOM 727 O HIS A 754 7.422 -21.400 1.758 1.00 0.30 O ATOM 728 CB HIS A 754 8.649 -23.794 0.261 1.00 24.52 C ATOM 729 CG HIS A 754 9.425 -23.112 -0.832 1.00 72.02 C ATOM 730 ND1 HIS A 754 9.234 -23.430 -2.156 1.00 51.04 N ATOM 731 CD2 HIS A 754 10.381 -22.154 -0.741 1.00 74.14 C ATOM 732 CE1 HIS A 754 10.072 -22.667 -2.836 1.00 5.32 C ATOM 733 NE2 HIS A 754 10.786 -21.879 -2.022 1.00 74.12 N ATOM 0 H HIS A 754 6.981 -23.649 -1.687 1.00 4.22 H new ATOM 0 HA HIS A 754 6.723 -23.862 1.220 1.00 15.13 H new ATOM 0 HB2 HIS A 754 9.149 -23.611 1.212 1.00 24.52 H new ATOM 0 HB3 HIS A 754 8.674 -24.870 0.090 1.00 24.52 H new ATOM 0 HD2 HIS A 754 10.751 -21.697 0.165 1.00 74.14 H new ATOM 0 HE1 HIS A 754 10.169 -22.678 -3.912 1.00 5.32 H new ATOM 0 HE2 HIS A 754 11.496 -21.203 -2.302 1.00 74.12 H new ATOM 741 N GLU A 755 6.687 -21.069 -0.340 1.00 21.03 N ATOM 742 CA GLU A 755 6.653 -19.614 -0.202 1.00 31.51 C ATOM 743 C GLU A 755 5.692 -18.960 -1.194 1.00 12.12 C ATOM 744 O GLU A 755 6.131 -18.339 -2.162 1.00 63.31 O ATOM 745 CB GLU A 755 8.057 -19.031 -0.395 1.00 30.24 C ATOM 746 CG GLU A 755 8.706 -18.548 0.892 1.00 64.54 C ATOM 747 CD GLU A 755 8.057 -17.292 1.442 1.00 1.00 C ATOM 748 OE1 GLU A 755 7.005 -17.401 2.106 1.00 34.41 O ATOM 749 OE2 GLU A 755 8.603 -16.189 1.215 1.00 23.44 O ATOM 0 H GLU A 755 6.365 -21.418 -1.243 1.00 21.03 H new ATOM 0 HA GLU A 755 6.294 -19.398 0.804 1.00 31.51 H new ATOM 0 HB2 GLU A 755 8.695 -19.789 -0.850 1.00 30.24 H new ATOM 0 HB3 GLU A 755 8.001 -18.199 -1.097 1.00 30.24 H new ATOM 0 HG2 GLU A 755 8.650 -19.338 1.641 1.00 64.54 H new ATOM 0 HG3 GLU A 755 9.763 -18.355 0.710 1.00 64.54 H new ATOM 756 N PRO A 756 4.370 -19.112 -0.996 1.00 42.41 N ATOM 757 CA PRO A 756 3.379 -18.368 -1.777 1.00 0.43 C ATOM 758 C PRO A 756 3.579 -16.865 -1.632 1.00 61.24 C ATOM 759 O PRO A 756 3.444 -16.318 -0.537 1.00 54.33 O ATOM 760 CB PRO A 756 2.038 -18.790 -1.167 1.00 51.04 C ATOM 761 CG PRO A 756 2.310 -20.093 -0.504 1.00 23.54 C ATOM 762 CD PRO A 756 3.738 -20.033 -0.034 1.00 15.14 C ATOM 0 HA PRO A 756 3.449 -18.580 -2.844 1.00 0.43 H new ATOM 0 HB2 PRO A 756 1.680 -18.050 -0.451 1.00 51.04 H new ATOM 0 HB3 PRO A 756 1.270 -18.890 -1.934 1.00 51.04 H new ATOM 0 HG2 PRO A 756 1.631 -20.253 0.333 1.00 23.54 H new ATOM 0 HG3 PRO A 756 2.163 -20.921 -1.197 1.00 23.54 H new ATOM 0 HD2 PRO A 756 3.810 -19.660 0.988 1.00 15.14 H new ATOM 0 HD3 PRO A 756 4.209 -21.016 -0.049 1.00 15.14 H new ATOM 770 N LYS A 757 3.924 -16.201 -2.726 1.00 52.22 N ATOM 771 CA LYS A 757 4.206 -14.777 -2.685 1.00 44.12 C ATOM 772 C LYS A 757 3.297 -14.018 -3.640 1.00 30.23 C ATOM 773 O LYS A 757 3.065 -14.448 -4.769 1.00 54.14 O ATOM 774 CB LYS A 757 5.673 -14.527 -3.028 1.00 12.43 C ATOM 775 CG LYS A 757 6.111 -13.088 -2.836 1.00 2.44 C ATOM 776 CD LYS A 757 7.617 -12.945 -2.971 1.00 44.34 C ATOM 777 CE LYS A 757 8.347 -13.822 -1.968 1.00 72.55 C ATOM 778 NZ LYS A 757 9.807 -13.553 -1.953 1.00 21.43 N ATOM 0 H LYS A 757 4.015 -16.626 -3.649 1.00 52.22 H new ATOM 0 HA LYS A 757 4.012 -14.413 -1.676 1.00 44.12 H new ATOM 0 HB2 LYS A 757 6.296 -15.172 -2.409 1.00 12.43 H new ATOM 0 HB3 LYS A 757 5.848 -14.815 -4.065 1.00 12.43 H new ATOM 0 HG2 LYS A 757 5.616 -12.454 -3.572 1.00 2.44 H new ATOM 0 HG3 LYS A 757 5.797 -12.739 -1.852 1.00 2.44 H new ATOM 0 HD2 LYS A 757 7.921 -13.215 -3.982 1.00 44.34 H new ATOM 0 HD3 LYS A 757 7.900 -11.903 -2.821 1.00 44.34 H new ATOM 0 HE2 LYS A 757 7.937 -13.653 -0.972 1.00 72.55 H new ATOM 0 HE3 LYS A 757 8.174 -14.871 -2.210 1.00 72.55 H new ATOM 0 HZ1 LYS A 757 10.267 -14.172 -1.255 1.00 21.43 H new ATOM 0 HZ2 LYS A 757 10.204 -13.739 -2.896 1.00 21.43 H new ATOM 0 HZ3 LYS A 757 9.974 -12.559 -1.697 1.00 21.43 H new ATOM 792 N PHE A 758 2.785 -12.889 -3.174 1.00 2.24 N ATOM 793 CA PHE A 758 1.843 -12.095 -3.946 1.00 0.34 C ATOM 794 C PHE A 758 2.366 -10.674 -4.126 1.00 54.41 C ATOM 795 O PHE A 758 2.601 -9.960 -3.150 1.00 65.15 O ATOM 796 CB PHE A 758 0.477 -12.087 -3.249 1.00 24.53 C ATOM 797 CG PHE A 758 -0.084 -13.466 -3.036 1.00 74.13 C ATOM 798 CD1 PHE A 758 0.275 -14.212 -1.924 1.00 1.45 C ATOM 799 CD2 PHE A 758 -0.952 -14.024 -3.958 1.00 55.41 C ATOM 800 CE1 PHE A 758 -0.223 -15.485 -1.735 1.00 52.45 C ATOM 801 CE2 PHE A 758 -1.450 -15.300 -3.776 1.00 24.41 C ATOM 802 CZ PHE A 758 -1.085 -16.031 -2.663 1.00 25.23 C ATOM 0 H PHE A 758 3.009 -12.500 -2.258 1.00 2.24 H new ATOM 0 HA PHE A 758 1.729 -12.540 -4.934 1.00 0.34 H new ATOM 0 HB2 PHE A 758 0.570 -11.586 -2.285 1.00 24.53 H new ATOM 0 HB3 PHE A 758 -0.225 -11.504 -3.845 1.00 24.53 H new ATOM 0 HD1 PHE A 758 0.953 -13.791 -1.196 1.00 1.45 H new ATOM 0 HD2 PHE A 758 -1.243 -13.456 -4.829 1.00 55.41 H new ATOM 0 HE1 PHE A 758 0.062 -16.053 -0.862 1.00 52.45 H new ATOM 0 HE2 PHE A 758 -2.125 -15.725 -4.504 1.00 24.41 H new ATOM 0 HZ PHE A 758 -1.474 -17.028 -2.519 1.00 25.23 H new ATOM 812 N VAL A 759 2.559 -10.279 -5.379 1.00 62.13 N ATOM 813 CA VAL A 759 3.102 -8.967 -5.706 1.00 41.24 C ATOM 814 C VAL A 759 1.979 -7.967 -5.970 1.00 42.21 C ATOM 815 O VAL A 759 1.211 -8.112 -6.927 1.00 50.54 O ATOM 816 CB VAL A 759 4.021 -9.028 -6.946 1.00 53.14 C ATOM 817 CG1 VAL A 759 4.710 -7.691 -7.177 1.00 15.00 C ATOM 818 CG2 VAL A 759 5.044 -10.147 -6.810 1.00 44.31 C ATOM 0 H VAL A 759 2.345 -10.856 -6.192 1.00 62.13 H new ATOM 0 HA VAL A 759 3.689 -8.641 -4.847 1.00 41.24 H new ATOM 0 HB VAL A 759 3.399 -9.243 -7.815 1.00 53.14 H new ATOM 0 HG11 VAL A 759 5.352 -7.759 -8.056 1.00 15.00 H new ATOM 0 HG12 VAL A 759 3.959 -6.917 -7.335 1.00 15.00 H new ATOM 0 HG13 VAL A 759 5.314 -7.438 -6.306 1.00 15.00 H new ATOM 0 HG21 VAL A 759 5.679 -10.169 -7.696 1.00 44.31 H new ATOM 0 HG22 VAL A 759 5.659 -9.973 -5.927 1.00 44.31 H new ATOM 0 HG23 VAL A 759 4.528 -11.102 -6.710 1.00 44.31 H new ATOM 828 N TYR A 760 1.899 -6.956 -5.122 1.00 14.41 N ATOM 829 CA TYR A 760 0.885 -5.920 -5.244 1.00 74.02 C ATOM 830 C TYR A 760 1.527 -4.567 -5.505 1.00 22.30 C ATOM 831 O TYR A 760 2.631 -4.289 -5.033 1.00 71.51 O ATOM 832 CB TYR A 760 0.038 -5.845 -3.974 1.00 44.43 C ATOM 833 CG TYR A 760 -1.276 -6.583 -4.068 1.00 74.43 C ATOM 834 CD1 TYR A 760 -1.370 -7.931 -3.748 1.00 33.55 C ATOM 835 CD2 TYR A 760 -2.427 -5.923 -4.477 1.00 3.44 C ATOM 836 CE1 TYR A 760 -2.576 -8.599 -3.834 1.00 75.54 C ATOM 837 CE2 TYR A 760 -3.635 -6.583 -4.565 1.00 32.10 C ATOM 838 CZ TYR A 760 -3.706 -7.920 -4.243 1.00 71.22 C ATOM 839 OH TYR A 760 -4.911 -8.578 -4.325 1.00 63.14 O ATOM 0 H TYR A 760 2.532 -6.829 -4.332 1.00 14.41 H new ATOM 0 HA TYR A 760 0.244 -6.177 -6.087 1.00 74.02 H new ATOM 0 HB2 TYR A 760 0.613 -6.252 -3.142 1.00 44.43 H new ATOM 0 HB3 TYR A 760 -0.160 -4.798 -3.743 1.00 44.43 H new ATOM 0 HD1 TYR A 760 -0.488 -8.465 -3.427 1.00 33.55 H new ATOM 0 HD2 TYR A 760 -2.376 -4.874 -4.731 1.00 3.44 H new ATOM 0 HE1 TYR A 760 -2.634 -9.648 -3.582 1.00 75.54 H new ATOM 0 HE2 TYR A 760 -4.521 -6.054 -4.885 1.00 32.10 H new ATOM 0 HH TYR A 760 -5.604 -7.955 -4.628 1.00 63.14 H new ATOM 849 N GLN A 761 0.830 -3.731 -6.258 1.00 23.02 N ATOM 850 CA GLN A 761 1.294 -2.384 -6.536 1.00 23.03 C ATOM 851 C GLN A 761 0.161 -1.396 -6.312 1.00 50.14 C ATOM 852 O GLN A 761 -0.987 -1.658 -6.684 1.00 0.23 O ATOM 853 CB GLN A 761 1.819 -2.281 -7.970 1.00 50.44 C ATOM 854 CG GLN A 761 2.419 -0.929 -8.313 1.00 12.30 C ATOM 855 CD GLN A 761 3.132 -0.939 -9.647 1.00 74.23 C ATOM 856 OE1 GLN A 761 2.535 -0.673 -10.686 1.00 23.44 O ATOM 857 NE2 GLN A 761 4.415 -1.256 -9.625 1.00 12.22 N ATOM 0 H GLN A 761 -0.064 -3.965 -6.689 1.00 23.02 H new ATOM 0 HA GLN A 761 2.113 -2.145 -5.858 1.00 23.03 H new ATOM 0 HB2 GLN A 761 2.574 -3.052 -8.126 1.00 50.44 H new ATOM 0 HB3 GLN A 761 1.002 -2.490 -8.661 1.00 50.44 H new ATOM 0 HG2 GLN A 761 1.629 -0.178 -8.331 1.00 12.30 H new ATOM 0 HG3 GLN A 761 3.120 -0.636 -7.531 1.00 12.30 H new ATOM 0 HE21 GLN A 761 4.872 -1.470 -8.739 1.00 12.22 H new ATOM 0 HE22 GLN A 761 4.948 -1.286 -10.494 1.00 12.22 H new ATOM 866 N ALA A 762 0.480 -0.271 -5.696 1.00 73.44 N ATOM 867 CA ALA A 762 -0.522 0.726 -5.385 1.00 4.30 C ATOM 868 C ALA A 762 -0.571 1.789 -6.471 1.00 53.10 C ATOM 869 O ALA A 762 0.381 2.544 -6.671 1.00 24.11 O ATOM 870 CB ALA A 762 -0.250 1.349 -4.024 1.00 0.04 C ATOM 0 H ALA A 762 1.426 -0.028 -5.402 1.00 73.44 H new ATOM 0 HA ALA A 762 -1.496 0.239 -5.345 1.00 4.30 H new ATOM 0 HB1 ALA A 762 -1.013 2.096 -3.807 1.00 0.04 H new ATOM 0 HB2 ALA A 762 -0.273 0.574 -3.258 1.00 0.04 H new ATOM 0 HB3 ALA A 762 0.731 1.824 -4.031 1.00 0.04 H new ATOM 876 N LYS A 763 -1.674 1.815 -7.189 1.00 63.34 N ATOM 877 CA LYS A 763 -1.894 2.803 -8.225 1.00 13.11 C ATOM 878 C LYS A 763 -2.613 4.004 -7.634 1.00 22.11 C ATOM 879 O LYS A 763 -3.807 3.947 -7.354 1.00 52.34 O ATOM 880 CB LYS A 763 -2.721 2.198 -9.362 1.00 70.21 C ATOM 881 CG LYS A 763 -3.099 3.195 -10.443 1.00 14.51 C ATOM 882 CD LYS A 763 -4.096 2.594 -11.421 1.00 22.11 C ATOM 883 CE LYS A 763 -4.644 3.637 -12.380 1.00 50.12 C ATOM 884 NZ LYS A 763 -5.440 4.671 -11.671 1.00 43.25 N ATOM 0 H LYS A 763 -2.442 1.154 -7.072 1.00 63.34 H new ATOM 0 HA LYS A 763 -0.933 3.123 -8.628 1.00 13.11 H new ATOM 0 HB2 LYS A 763 -2.157 1.382 -9.814 1.00 70.21 H new ATOM 0 HB3 LYS A 763 -3.631 1.765 -8.946 1.00 70.21 H new ATOM 0 HG2 LYS A 763 -3.527 4.087 -9.985 1.00 14.51 H new ATOM 0 HG3 LYS A 763 -2.204 3.510 -10.980 1.00 14.51 H new ATOM 0 HD2 LYS A 763 -3.614 1.797 -11.987 1.00 22.11 H new ATOM 0 HD3 LYS A 763 -4.919 2.140 -10.869 1.00 22.11 H new ATOM 0 HE2 LYS A 763 -3.819 4.113 -12.910 1.00 50.12 H new ATOM 0 HE3 LYS A 763 -5.266 3.150 -13.131 1.00 50.12 H new ATOM 0 HZ1 LYS A 763 -6.014 5.199 -12.359 1.00 43.25 H new ATOM 0 HZ2 LYS A 763 -6.065 4.213 -10.978 1.00 43.25 H new ATOM 0 HZ3 LYS A 763 -4.799 5.326 -11.179 1.00 43.25 H new ATOM 898 N VAL A 764 -1.880 5.077 -7.416 1.00 31.43 N ATOM 899 CA VAL A 764 -2.456 6.286 -6.856 1.00 11.12 C ATOM 900 C VAL A 764 -2.516 7.370 -7.920 1.00 12.22 C ATOM 901 O VAL A 764 -1.506 7.992 -8.255 1.00 73.14 O ATOM 902 CB VAL A 764 -1.664 6.771 -5.624 1.00 73.33 C ATOM 903 CG1 VAL A 764 -2.232 8.076 -5.084 1.00 64.25 C ATOM 904 CG2 VAL A 764 -1.681 5.700 -4.549 1.00 41.32 C ATOM 0 H VAL A 764 -0.882 5.138 -7.618 1.00 31.43 H new ATOM 0 HA VAL A 764 -3.469 6.060 -6.522 1.00 11.12 H new ATOM 0 HB VAL A 764 -0.634 6.958 -5.928 1.00 73.33 H new ATOM 0 HG11 VAL A 764 -1.654 8.393 -4.216 1.00 64.25 H new ATOM 0 HG12 VAL A 764 -2.178 8.843 -5.856 1.00 64.25 H new ATOM 0 HG13 VAL A 764 -3.272 7.927 -4.792 1.00 64.25 H new ATOM 0 HG21 VAL A 764 -1.120 6.047 -3.681 1.00 41.32 H new ATOM 0 HG22 VAL A 764 -2.711 5.494 -4.257 1.00 41.32 H new ATOM 0 HG23 VAL A 764 -1.224 4.789 -4.936 1.00 41.32 H new ATOM 914 N GLY A 765 -3.704 7.566 -8.469 1.00 55.53 N ATOM 915 CA GLY A 765 -3.864 8.483 -9.574 1.00 44.22 C ATOM 916 C GLY A 765 -3.255 7.915 -10.834 1.00 2.45 C ATOM 917 O GLY A 765 -3.656 6.841 -11.291 1.00 53.45 O ATOM 0 H GLY A 765 -4.562 7.104 -8.167 1.00 55.53 H new ATOM 0 HA2 GLY A 765 -4.923 8.684 -9.735 1.00 44.22 H new ATOM 0 HA3 GLY A 765 -3.392 9.435 -9.334 1.00 44.22 H new ATOM 921 N GLY A 766 -2.270 8.611 -11.377 1.00 54.23 N ATOM 922 CA GLY A 766 -1.557 8.104 -12.529 1.00 14.30 C ATOM 923 C GLY A 766 -0.215 7.529 -12.133 1.00 73.14 C ATOM 924 O GLY A 766 0.595 7.166 -12.987 1.00 13.05 O ATOM 0 H GLY A 766 -1.951 9.519 -11.040 1.00 54.23 H new ATOM 0 HA2 GLY A 766 -2.154 7.336 -13.020 1.00 14.30 H new ATOM 0 HA3 GLY A 766 -1.413 8.906 -13.252 1.00 14.30 H new ATOM 928 N ARG A 767 0.016 7.449 -10.829 1.00 1.24 N ATOM 929 CA ARG A 767 1.281 6.967 -10.299 1.00 41.11 C ATOM 930 C ARG A 767 1.171 5.515 -9.865 1.00 75.54 C ATOM 931 O ARG A 767 0.112 5.060 -9.432 1.00 64.11 O ATOM 932 CB ARG A 767 1.725 7.827 -9.118 1.00 32.22 C ATOM 933 CG ARG A 767 1.892 9.291 -9.471 1.00 21.11 C ATOM 934 CD ARG A 767 2.929 9.480 -10.564 1.00 73.25 C ATOM 935 NE ARG A 767 2.966 10.859 -11.043 1.00 1.40 N ATOM 936 CZ ARG A 767 3.849 11.317 -11.927 1.00 22.14 C ATOM 937 NH1 ARG A 767 4.791 10.518 -12.418 1.00 24.32 N ATOM 938 NH2 ARG A 767 3.794 12.580 -12.323 1.00 2.45 N ATOM 0 H ARG A 767 -0.663 7.714 -10.116 1.00 1.24 H new ATOM 0 HA ARG A 767 2.025 7.036 -11.092 1.00 41.11 H new ATOM 0 HB2 ARG A 767 0.993 7.735 -8.315 1.00 32.22 H new ATOM 0 HB3 ARG A 767 2.670 7.443 -8.733 1.00 32.22 H new ATOM 0 HG2 ARG A 767 0.936 9.700 -9.799 1.00 21.11 H new ATOM 0 HG3 ARG A 767 2.190 9.850 -8.584 1.00 21.11 H new ATOM 0 HD2 ARG A 767 3.912 9.200 -10.185 1.00 73.25 H new ATOM 0 HD3 ARG A 767 2.706 8.812 -11.396 1.00 73.25 H new ATOM 0 HE ARG A 767 2.272 11.511 -10.677 1.00 1.40 H new ATOM 0 HH11 ARG A 767 4.842 9.545 -12.118 1.00 24.32 H new ATOM 0 HH12 ARG A 767 5.463 10.878 -13.095 1.00 24.32 H new ATOM 0 HH21 ARG A 767 3.075 13.200 -11.950 1.00 2.45 H new ATOM 0 HH22 ARG A 767 4.470 12.932 -13.001 1.00 2.45 H new ATOM 952 N TRP A 768 2.272 4.797 -9.985 1.00 24.44 N ATOM 953 CA TRP A 768 2.320 3.391 -9.620 1.00 25.53 C ATOM 954 C TRP A 768 3.435 3.151 -8.610 1.00 3.54 C ATOM 955 O TRP A 768 4.607 3.058 -8.986 1.00 14.01 O ATOM 956 CB TRP A 768 2.574 2.525 -10.856 1.00 50.25 C ATOM 957 CG TRP A 768 1.606 2.760 -11.976 1.00 2.41 C ATOM 958 CD1 TRP A 768 1.658 3.755 -12.909 1.00 51.42 C ATOM 959 CD2 TRP A 768 0.453 1.978 -12.289 1.00 33.51 C ATOM 960 NE1 TRP A 768 0.601 3.644 -13.775 1.00 72.43 N ATOM 961 CE2 TRP A 768 -0.152 2.559 -13.418 1.00 34.44 C ATOM 962 CE3 TRP A 768 -0.127 0.847 -11.721 1.00 13.43 C ATOM 963 CZ2 TRP A 768 -1.312 2.041 -13.989 1.00 55.14 C ATOM 964 CZ3 TRP A 768 -1.275 0.333 -12.289 1.00 73.43 C ATOM 965 CH2 TRP A 768 -1.857 0.929 -13.413 1.00 12.23 C ATOM 0 H TRP A 768 3.155 5.168 -10.336 1.00 24.44 H new ATOM 0 HA TRP A 768 1.360 3.120 -9.181 1.00 25.53 H new ATOM 0 HB2 TRP A 768 3.585 2.714 -11.218 1.00 50.25 H new ATOM 0 HB3 TRP A 768 2.530 1.475 -10.566 1.00 50.25 H new ATOM 0 HD1 TRP A 768 2.421 4.518 -12.958 1.00 51.42 H new ATOM 0 HE1 TRP A 768 0.408 4.269 -14.558 1.00 72.43 H new ATOM 0 HE3 TRP A 768 0.313 0.381 -10.852 1.00 13.43 H new ATOM 0 HZ2 TRP A 768 -1.764 2.502 -14.855 1.00 55.14 H new ATOM 0 HZ3 TRP A 768 -1.732 -0.545 -11.858 1.00 73.43 H new ATOM 0 HH2 TRP A 768 -2.755 0.501 -13.834 1.00 12.23 H new ATOM 976 N PHE A 769 3.078 3.060 -7.337 1.00 43.12 N ATOM 977 CA PHE A 769 4.063 2.871 -6.278 1.00 13.42 C ATOM 978 C PHE A 769 3.368 2.580 -4.951 1.00 24.14 C ATOM 979 O PHE A 769 2.323 3.153 -4.651 1.00 63.35 O ATOM 980 CB PHE A 769 4.973 4.105 -6.138 1.00 14.24 C ATOM 981 CG PHE A 769 4.297 5.328 -5.567 1.00 12.54 C ATOM 982 CD1 PHE A 769 3.531 6.159 -6.369 1.00 44.30 C ATOM 983 CD2 PHE A 769 4.436 5.643 -4.222 1.00 22.40 C ATOM 984 CE1 PHE A 769 2.915 7.279 -5.843 1.00 63.11 C ATOM 985 CE2 PHE A 769 3.823 6.761 -3.691 1.00 64.22 C ATOM 986 CZ PHE A 769 3.060 7.580 -4.502 1.00 21.34 C ATOM 0 H PHE A 769 2.113 3.114 -7.011 1.00 43.12 H new ATOM 0 HA PHE A 769 4.685 2.018 -6.548 1.00 13.42 H new ATOM 0 HB2 PHE A 769 5.819 3.845 -5.502 1.00 14.24 H new ATOM 0 HB3 PHE A 769 5.376 4.355 -7.119 1.00 14.24 H new ATOM 0 HD1 PHE A 769 3.414 5.929 -7.418 1.00 44.30 H new ATOM 0 HD2 PHE A 769 5.030 5.006 -3.583 1.00 22.40 H new ATOM 0 HE1 PHE A 769 2.321 7.918 -6.479 1.00 63.11 H new ATOM 0 HE2 PHE A 769 3.940 6.995 -2.643 1.00 64.22 H new ATOM 0 HZ PHE A 769 2.578 8.454 -4.088 1.00 21.34 H new ATOM 996 N PRO A 770 3.934 1.678 -4.143 1.00 42.02 N ATOM 997 CA PRO A 770 5.139 0.937 -4.478 1.00 64.03 C ATOM 998 C PRO A 770 4.825 -0.444 -5.048 1.00 3.13 C ATOM 999 O PRO A 770 3.674 -0.743 -5.375 1.00 13.33 O ATOM 1000 CB PRO A 770 5.804 0.810 -3.115 1.00 23.21 C ATOM 1001 CG PRO A 770 4.662 0.675 -2.155 1.00 44.52 C ATOM 1002 CD PRO A 770 3.456 1.318 -2.803 1.00 35.25 C ATOM 0 HA PRO A 770 5.746 1.423 -5.242 1.00 64.03 H new ATOM 0 HB2 PRO A 770 6.463 -0.057 -3.073 1.00 23.21 H new ATOM 0 HB3 PRO A 770 6.414 1.684 -2.887 1.00 23.21 H new ATOM 0 HG2 PRO A 770 4.467 -0.374 -1.934 1.00 44.52 H new ATOM 0 HG3 PRO A 770 4.896 1.162 -1.208 1.00 44.52 H new ATOM 0 HD2 PRO A 770 2.612 0.630 -2.850 1.00 35.25 H new ATOM 0 HD3 PRO A 770 3.122 2.195 -2.248 1.00 35.25 H new ATOM 1010 N ALA A 771 5.845 -1.279 -5.163 1.00 32.31 N ATOM 1011 CA ALA A 771 5.669 -2.656 -5.598 1.00 44.41 C ATOM 1012 C ALA A 771 6.178 -3.605 -4.522 1.00 33.24 C ATOM 1013 O ALA A 771 7.386 -3.703 -4.287 1.00 70.14 O ATOM 1014 CB ALA A 771 6.392 -2.896 -6.915 1.00 21.44 C ATOM 0 H ALA A 771 6.812 -1.025 -4.959 1.00 32.31 H new ATOM 0 HA ALA A 771 4.607 -2.845 -5.758 1.00 44.41 H new ATOM 0 HB1 ALA A 771 6.249 -3.931 -7.225 1.00 21.44 H new ATOM 0 HB2 ALA A 771 5.989 -2.230 -7.678 1.00 21.44 H new ATOM 0 HB3 ALA A 771 7.456 -2.699 -6.787 1.00 21.44 H new ATOM 1020 N VAL A 772 5.262 -4.283 -3.854 1.00 41.12 N ATOM 1021 CA VAL A 772 5.625 -5.158 -2.751 1.00 34.33 C ATOM 1022 C VAL A 772 5.269 -6.603 -3.062 1.00 31.01 C ATOM 1023 O VAL A 772 4.405 -6.874 -3.893 1.00 31.13 O ATOM 1024 CB VAL A 772 4.933 -4.744 -1.437 1.00 60.04 C ATOM 1025 CG1 VAL A 772 5.318 -3.325 -1.048 1.00 40.11 C ATOM 1026 CG2 VAL A 772 3.425 -4.884 -1.563 1.00 54.04 C ATOM 0 H VAL A 772 4.263 -4.246 -4.055 1.00 41.12 H new ATOM 0 HA VAL A 772 6.703 -5.065 -2.623 1.00 34.33 H new ATOM 0 HB VAL A 772 5.272 -5.412 -0.645 1.00 60.04 H new ATOM 0 HG11 VAL A 772 4.818 -3.054 -0.118 1.00 40.11 H new ATOM 0 HG12 VAL A 772 6.398 -3.266 -0.910 1.00 40.11 H new ATOM 0 HG13 VAL A 772 5.015 -2.637 -1.837 1.00 40.11 H new ATOM 0 HG21 VAL A 772 2.953 -4.588 -0.626 1.00 54.04 H new ATOM 0 HG22 VAL A 772 3.066 -4.244 -2.369 1.00 54.04 H new ATOM 0 HG23 VAL A 772 3.173 -5.921 -1.784 1.00 54.04 H new ATOM 1036 N CYS A 773 5.934 -7.522 -2.388 1.00 5.52 N ATOM 1037 CA CYS A 773 5.670 -8.937 -2.564 1.00 71.32 C ATOM 1038 C CYS A 773 5.594 -9.631 -1.207 1.00 11.51 C ATOM 1039 O CYS A 773 6.616 -9.918 -0.582 1.00 64.04 O ATOM 1040 CB CYS A 773 6.752 -9.559 -3.448 1.00 73.42 C ATOM 1041 SG CYS A 773 8.433 -9.021 -3.045 1.00 24.14 S ATOM 0 H CYS A 773 6.666 -7.312 -1.709 1.00 5.52 H new ATOM 0 HA CYS A 773 4.708 -9.068 -3.060 1.00 71.32 H new ATOM 0 HB2 CYS A 773 6.698 -10.644 -3.361 1.00 73.42 H new ATOM 0 HB3 CYS A 773 6.542 -9.312 -4.489 1.00 73.42 H new ATOM 0 HG CYS A 773 9.278 -9.602 -3.844 1.00 24.14 H new ATOM 1047 N ALA A 774 4.373 -9.874 -0.750 1.00 54.15 N ATOM 1048 CA ALA A 774 4.145 -10.426 0.580 1.00 51.24 C ATOM 1049 C ALA A 774 3.798 -11.908 0.510 1.00 45.31 C ATOM 1050 O ALA A 774 3.683 -12.474 -0.577 1.00 33.12 O ATOM 1051 CB ALA A 774 3.037 -9.653 1.277 1.00 61.52 C ATOM 0 H ALA A 774 3.521 -9.697 -1.283 1.00 54.15 H new ATOM 0 HA ALA A 774 5.066 -10.328 1.155 1.00 51.24 H new ATOM 0 HB1 ALA A 774 2.871 -10.070 2.270 1.00 61.52 H new ATOM 0 HB2 ALA A 774 3.325 -8.606 1.367 1.00 61.52 H new ATOM 0 HB3 ALA A 774 2.119 -9.728 0.694 1.00 61.52 H new ATOM 1057 N HIS A 775 3.619 -12.531 1.673 1.00 4.53 N ATOM 1058 CA HIS A 775 3.329 -13.964 1.744 1.00 70.24 C ATOM 1059 C HIS A 775 1.831 -14.210 1.588 1.00 21.24 C ATOM 1060 O HIS A 775 1.394 -15.330 1.328 1.00 70.44 O ATOM 1061 CB HIS A 775 3.788 -14.566 3.079 1.00 25.15 C ATOM 1062 CG HIS A 775 5.205 -14.258 3.463 1.00 73.13 C ATOM 1063 ND1 HIS A 775 6.267 -15.100 3.207 1.00 63.41 N ATOM 1064 CD2 HIS A 775 5.724 -13.199 4.126 1.00 43.34 C ATOM 1065 CE1 HIS A 775 7.372 -14.572 3.698 1.00 32.14 C ATOM 1066 NE2 HIS A 775 7.069 -13.421 4.257 1.00 31.41 N ATOM 0 H HIS A 775 3.669 -12.067 2.580 1.00 4.53 H new ATOM 0 HA HIS A 775 3.876 -14.444 0.932 1.00 70.24 H new ATOM 0 HB2 HIS A 775 3.128 -14.206 3.868 1.00 25.15 H new ATOM 0 HB3 HIS A 775 3.668 -15.648 3.032 1.00 25.15 H new ATOM 0 HD1 HIS A 775 6.207 -15.992 2.715 1.00 63.41 H new ATOM 0 HD2 HIS A 775 5.179 -12.339 4.485 1.00 43.34 H new ATOM 0 HE1 HIS A 775 8.358 -15.011 3.649 1.00 32.14 H new ATOM 1075 N SER A 776 1.050 -13.157 1.764 1.00 32.10 N ATOM 1076 CA SER A 776 -0.397 -13.262 1.705 1.00 75.44 C ATOM 1077 C SER A 776 -0.965 -12.204 0.770 1.00 24.31 C ATOM 1078 O SER A 776 -0.366 -11.145 0.588 1.00 73.42 O ATOM 1079 CB SER A 776 -0.989 -13.104 3.103 1.00 11.53 C ATOM 1080 OG SER A 776 -0.327 -13.946 4.032 1.00 62.51 O ATOM 0 H SER A 776 1.397 -12.216 1.950 1.00 32.10 H new ATOM 0 HA SER A 776 -0.663 -14.246 1.319 1.00 75.44 H new ATOM 0 HB2 SER A 776 -0.904 -12.065 3.423 1.00 11.53 H new ATOM 0 HB3 SER A 776 -2.052 -13.345 3.081 1.00 11.53 H new ATOM 0 HG SER A 776 -0.722 -13.827 4.921 1.00 62.51 H new ATOM 1086 N LYS A 777 -2.117 -12.495 0.182 1.00 73.10 N ATOM 1087 CA LYS A 777 -2.753 -11.582 -0.757 1.00 44.31 C ATOM 1088 C LYS A 777 -3.153 -10.280 -0.067 1.00 3.24 C ATOM 1089 O LYS A 777 -2.832 -9.193 -0.550 1.00 75.00 O ATOM 1090 CB LYS A 777 -3.970 -12.254 -1.407 1.00 53.13 C ATOM 1091 CG LYS A 777 -4.655 -11.407 -2.472 1.00 73.35 C ATOM 1092 CD LYS A 777 -5.793 -10.569 -1.901 1.00 24.44 C ATOM 1093 CE LYS A 777 -6.923 -11.437 -1.368 1.00 24.45 C ATOM 1094 NZ LYS A 777 -7.488 -12.326 -2.419 1.00 53.50 N ATOM 0 H LYS A 777 -2.632 -13.361 0.340 1.00 73.10 H new ATOM 0 HA LYS A 777 -2.035 -11.335 -1.539 1.00 44.31 H new ATOM 0 HB2 LYS A 777 -3.655 -13.196 -1.855 1.00 53.13 H new ATOM 0 HB3 LYS A 777 -4.695 -12.497 -0.630 1.00 53.13 H new ATOM 0 HG2 LYS A 777 -3.921 -10.750 -2.938 1.00 73.35 H new ATOM 0 HG3 LYS A 777 -5.043 -12.057 -3.256 1.00 73.35 H new ATOM 0 HD2 LYS A 777 -5.412 -9.937 -1.099 1.00 24.44 H new ATOM 0 HD3 LYS A 777 -6.179 -9.905 -2.675 1.00 24.44 H new ATOM 0 HE2 LYS A 777 -6.555 -12.043 -0.540 1.00 24.45 H new ATOM 0 HE3 LYS A 777 -7.712 -10.800 -0.970 1.00 24.45 H new ATOM 0 HZ1 LYS A 777 -8.401 -12.707 -2.098 1.00 53.50 H new ATOM 0 HZ2 LYS A 777 -7.629 -11.783 -3.295 1.00 53.50 H new ATOM 0 HZ3 LYS A 777 -6.830 -13.111 -2.601 1.00 53.50 H new ATOM 1108 N LYS A 778 -3.835 -10.383 1.068 1.00 1.11 N ATOM 1109 CA LYS A 778 -4.251 -9.190 1.796 1.00 24.21 C ATOM 1110 C LYS A 778 -3.041 -8.503 2.417 1.00 2.23 C ATOM 1111 O LYS A 778 -3.039 -7.289 2.616 1.00 3.11 O ATOM 1112 CB LYS A 778 -5.305 -9.518 2.861 1.00 23.22 C ATOM 1113 CG LYS A 778 -4.865 -10.546 3.886 1.00 71.40 C ATOM 1114 CD LYS A 778 -5.963 -10.805 4.905 1.00 25.13 C ATOM 1115 CE LYS A 778 -5.589 -11.925 5.860 1.00 2.34 C ATOM 1116 NZ LYS A 778 -5.383 -13.212 5.146 1.00 64.24 N ATOM 0 H LYS A 778 -4.108 -11.266 1.499 1.00 1.11 H new ATOM 0 HA LYS A 778 -4.713 -8.505 1.085 1.00 24.21 H new ATOM 0 HB2 LYS A 778 -5.577 -8.599 3.380 1.00 23.22 H new ATOM 0 HB3 LYS A 778 -6.205 -9.881 2.364 1.00 23.22 H new ATOM 0 HG2 LYS A 778 -4.604 -11.477 3.383 1.00 71.40 H new ATOM 0 HG3 LYS A 778 -3.967 -10.196 4.395 1.00 71.40 H new ATOM 0 HD2 LYS A 778 -6.157 -9.894 5.471 1.00 25.13 H new ATOM 0 HD3 LYS A 778 -6.887 -11.062 4.387 1.00 25.13 H new ATOM 0 HE2 LYS A 778 -4.679 -11.657 6.396 1.00 2.34 H new ATOM 0 HE3 LYS A 778 -6.375 -12.045 6.606 1.00 2.34 H new ATOM 0 HZ1 LYS A 778 -5.399 -13.995 5.830 1.00 64.24 H new ATOM 0 HZ2 LYS A 778 -6.142 -13.347 4.448 1.00 64.24 H new ATOM 0 HZ3 LYS A 778 -4.464 -13.196 4.660 1.00 64.24 H new ATOM 1130 N GLN A 779 -1.998 -9.282 2.692 1.00 1.43 N ATOM 1131 CA GLN A 779 -0.738 -8.721 3.153 1.00 55.11 C ATOM 1132 C GLN A 779 -0.098 -7.896 2.055 1.00 2.11 C ATOM 1133 O GLN A 779 0.491 -6.859 2.323 1.00 42.51 O ATOM 1134 CB GLN A 779 0.226 -9.813 3.620 1.00 1.44 C ATOM 1135 CG GLN A 779 0.065 -10.185 5.084 1.00 31.04 C ATOM 1136 CD GLN A 779 0.462 -9.059 6.026 1.00 33.34 C ATOM 1137 OE1 GLN A 779 0.347 -7.878 5.698 1.00 74.41 O ATOM 1138 NE2 GLN A 779 0.940 -9.418 7.205 1.00 44.32 N ATOM 0 H GLN A 779 -2.003 -10.298 2.603 1.00 1.43 H new ATOM 0 HA GLN A 779 -0.954 -8.078 4.006 1.00 55.11 H new ATOM 0 HB2 GLN A 779 0.076 -10.703 3.009 1.00 1.44 H new ATOM 0 HB3 GLN A 779 1.249 -9.479 3.450 1.00 1.44 H new ATOM 0 HG2 GLN A 779 -0.973 -10.461 5.272 1.00 31.04 H new ATOM 0 HG3 GLN A 779 0.672 -11.064 5.300 1.00 31.04 H new ATOM 0 HE21 GLN A 779 1.021 -10.407 7.443 1.00 44.32 H new ATOM 0 HE22 GLN A 779 1.228 -8.706 7.877 1.00 44.32 H new ATOM 1147 N GLY A 780 -0.225 -8.356 0.815 1.00 74.34 N ATOM 1148 CA GLY A 780 0.273 -7.595 -0.313 1.00 73.13 C ATOM 1149 C GLY A 780 -0.359 -6.222 -0.378 1.00 74.11 C ATOM 1150 O GLY A 780 0.328 -5.219 -0.556 1.00 61.25 O ATOM 0 H GLY A 780 -0.665 -9.244 0.572 1.00 74.34 H new ATOM 0 HA2 GLY A 780 1.356 -7.495 -0.236 1.00 73.13 H new ATOM 0 HA3 GLY A 780 0.067 -8.135 -1.237 1.00 73.13 H new ATOM 1154 N LYS A 781 -1.675 -6.182 -0.213 1.00 33.41 N ATOM 1155 CA LYS A 781 -2.410 -4.923 -0.186 1.00 1.31 C ATOM 1156 C LYS A 781 -1.950 -4.052 0.983 1.00 71.13 C ATOM 1157 O LYS A 781 -1.693 -2.859 0.817 1.00 31.42 O ATOM 1158 CB LYS A 781 -3.912 -5.196 -0.078 1.00 23.35 C ATOM 1159 CG LYS A 781 -4.446 -6.079 -1.196 1.00 3.13 C ATOM 1160 CD LYS A 781 -5.921 -6.409 -1.017 1.00 73.45 C ATOM 1161 CE LYS A 781 -6.795 -5.163 -1.081 1.00 33.22 C ATOM 1162 NZ LYS A 781 -8.239 -5.498 -0.984 1.00 14.04 N ATOM 0 H LYS A 781 -2.258 -7.011 -0.095 1.00 33.41 H new ATOM 0 HA LYS A 781 -2.210 -4.387 -1.114 1.00 1.31 H new ATOM 0 HB2 LYS A 781 -4.120 -5.671 0.881 1.00 23.35 H new ATOM 0 HB3 LYS A 781 -4.448 -4.247 -0.087 1.00 23.35 H new ATOM 0 HG2 LYS A 781 -4.302 -5.577 -2.153 1.00 3.13 H new ATOM 0 HG3 LYS A 781 -3.871 -7.004 -1.232 1.00 3.13 H new ATOM 0 HD2 LYS A 781 -6.232 -7.111 -1.791 1.00 73.45 H new ATOM 0 HD3 LYS A 781 -6.068 -6.906 -0.058 1.00 73.45 H new ATOM 0 HE2 LYS A 781 -6.523 -4.486 -0.271 1.00 33.22 H new ATOM 0 HE3 LYS A 781 -6.606 -4.634 -2.015 1.00 33.22 H new ATOM 0 HZ1 LYS A 781 -8.802 -4.625 -1.031 1.00 14.04 H new ATOM 0 HZ2 LYS A 781 -8.504 -6.124 -1.771 1.00 14.04 H new ATOM 0 HZ3 LYS A 781 -8.424 -5.980 -0.081 1.00 14.04 H new ATOM 1176 N GLN A 782 -1.830 -4.660 2.161 1.00 13.35 N ATOM 1177 CA GLN A 782 -1.400 -3.939 3.355 1.00 54.24 C ATOM 1178 C GLN A 782 0.031 -3.433 3.214 1.00 22.12 C ATOM 1179 O GLN A 782 0.314 -2.274 3.507 1.00 55.14 O ATOM 1180 CB GLN A 782 -1.517 -4.825 4.596 1.00 61.45 C ATOM 1181 CG GLN A 782 -2.949 -5.117 5.007 1.00 31.24 C ATOM 1182 CD GLN A 782 -3.040 -5.897 6.304 1.00 24.01 C ATOM 1183 OE1 GLN A 782 -3.991 -5.741 7.066 1.00 45.45 O ATOM 1184 NE2 GLN A 782 -2.057 -6.743 6.567 1.00 61.12 N ATOM 0 H GLN A 782 -2.025 -5.650 2.314 1.00 13.35 H new ATOM 0 HA GLN A 782 -2.059 -3.078 3.470 1.00 54.24 H new ATOM 0 HB2 GLN A 782 -1.003 -5.768 4.408 1.00 61.45 H new ATOM 0 HB3 GLN A 782 -1.002 -4.342 5.426 1.00 61.45 H new ATOM 0 HG2 GLN A 782 -3.490 -4.177 5.115 1.00 31.24 H new ATOM 0 HG3 GLN A 782 -3.442 -5.680 4.214 1.00 31.24 H new ATOM 0 HE21 GLN A 782 -1.283 -6.846 5.910 1.00 61.12 H new ATOM 0 HE22 GLN A 782 -2.073 -7.292 7.426 1.00 61.12 H new ATOM 1193 N GLU A 783 0.924 -4.302 2.757 1.00 33.24 N ATOM 1194 CA GLU A 783 2.326 -3.946 2.587 1.00 3.41 C ATOM 1195 C GLU A 783 2.493 -2.843 1.552 1.00 4.30 C ATOM 1196 O GLU A 783 3.314 -1.942 1.729 1.00 72.41 O ATOM 1197 CB GLU A 783 3.149 -5.169 2.185 1.00 50.04 C ATOM 1198 CG GLU A 783 3.386 -6.141 3.328 1.00 11.22 C ATOM 1199 CD GLU A 783 4.214 -5.526 4.436 1.00 21.23 C ATOM 1200 OE1 GLU A 783 5.438 -5.366 4.241 1.00 23.51 O ATOM 1201 OE2 GLU A 783 3.652 -5.208 5.506 1.00 73.54 O ATOM 0 H GLU A 783 0.700 -5.262 2.497 1.00 33.24 H new ATOM 0 HA GLU A 783 2.690 -3.575 3.545 1.00 3.41 H new ATOM 0 HB2 GLU A 783 2.639 -5.690 1.375 1.00 50.04 H new ATOM 0 HB3 GLU A 783 4.111 -4.838 1.795 1.00 50.04 H new ATOM 0 HG2 GLU A 783 2.427 -6.467 3.731 1.00 11.22 H new ATOM 0 HG3 GLU A 783 3.891 -7.029 2.949 1.00 11.22 H new ATOM 1208 N ALA A 784 1.716 -2.918 0.476 1.00 10.31 N ATOM 1209 CA ALA A 784 1.743 -1.891 -0.556 1.00 30.32 C ATOM 1210 C ALA A 784 1.289 -0.561 0.019 1.00 20.13 C ATOM 1211 O ALA A 784 1.928 0.465 -0.190 1.00 54.21 O ATOM 1212 CB ALA A 784 0.866 -2.286 -1.737 1.00 13.44 C ATOM 0 H ALA A 784 1.061 -3.679 0.297 1.00 10.31 H new ATOM 0 HA ALA A 784 2.768 -1.789 -0.914 1.00 30.32 H new ATOM 0 HB1 ALA A 784 0.902 -1.503 -2.495 1.00 13.44 H new ATOM 0 HB2 ALA A 784 1.229 -3.221 -2.163 1.00 13.44 H new ATOM 0 HB3 ALA A 784 -0.162 -2.417 -1.399 1.00 13.44 H new ATOM 1218 N ALA A 785 0.198 -0.597 0.768 1.00 62.33 N ATOM 1219 CA ALA A 785 -0.351 0.597 1.383 1.00 2.05 C ATOM 1220 C ALA A 785 0.609 1.167 2.422 1.00 32.33 C ATOM 1221 O ALA A 785 0.853 2.371 2.456 1.00 2.24 O ATOM 1222 CB ALA A 785 -1.697 0.287 2.008 1.00 14.44 C ATOM 0 H ALA A 785 -0.327 -1.449 0.965 1.00 62.33 H new ATOM 0 HA ALA A 785 -0.490 1.352 0.609 1.00 2.05 H new ATOM 0 HB1 ALA A 785 -2.101 1.189 2.467 1.00 14.44 H new ATOM 0 HB2 ALA A 785 -2.383 -0.067 1.238 1.00 14.44 H new ATOM 0 HB3 ALA A 785 -1.576 -0.484 2.769 1.00 14.44 H new ATOM 1228 N ASP A 786 1.161 0.291 3.259 1.00 41.11 N ATOM 1229 CA ASP A 786 2.121 0.703 4.281 1.00 55.45 C ATOM 1230 C ASP A 786 3.312 1.382 3.631 1.00 12.52 C ATOM 1231 O ASP A 786 3.637 2.524 3.951 1.00 4.32 O ATOM 1232 CB ASP A 786 2.601 -0.502 5.100 1.00 51.25 C ATOM 1233 CG ASP A 786 3.519 -0.110 6.249 1.00 73.03 C ATOM 1234 OD1 ASP A 786 4.738 0.072 6.020 1.00 32.33 O ATOM 1235 OD2 ASP A 786 3.028 -0.003 7.394 1.00 53.03 O ATOM 0 H ASP A 786 0.960 -0.709 3.250 1.00 41.11 H new ATOM 0 HA ASP A 786 1.623 1.403 4.952 1.00 55.45 H new ATOM 0 HB2 ASP A 786 1.736 -1.032 5.498 1.00 51.25 H new ATOM 0 HB3 ASP A 786 3.126 -1.196 4.443 1.00 51.25 H new ATOM 1240 N ALA A 787 3.928 0.684 2.682 1.00 4.52 N ATOM 1241 CA ALA A 787 5.105 1.194 1.992 1.00 0.51 C ATOM 1242 C ALA A 787 4.787 2.475 1.234 1.00 63.30 C ATOM 1243 O ALA A 787 5.630 3.362 1.123 1.00 4.33 O ATOM 1244 CB ALA A 787 5.664 0.140 1.049 1.00 73.33 C ATOM 0 H ALA A 787 3.629 -0.241 2.373 1.00 4.52 H new ATOM 0 HA ALA A 787 5.861 1.429 2.742 1.00 0.51 H new ATOM 0 HB1 ALA A 787 6.543 0.536 0.541 1.00 73.33 H new ATOM 0 HB2 ALA A 787 5.943 -0.747 1.618 1.00 73.33 H new ATOM 0 HB3 ALA A 787 4.907 -0.126 0.311 1.00 73.33 H new ATOM 1250 N ALA A 788 3.567 2.567 0.717 1.00 63.53 N ATOM 1251 CA ALA A 788 3.121 3.767 0.026 1.00 54.00 C ATOM 1252 C ALA A 788 3.108 4.954 0.977 1.00 14.31 C ATOM 1253 O ALA A 788 3.621 6.022 0.649 1.00 2.24 O ATOM 1254 CB ALA A 788 1.744 3.561 -0.584 1.00 24.53 C ATOM 0 H ALA A 788 2.870 1.824 0.764 1.00 63.53 H new ATOM 0 HA ALA A 788 3.823 3.975 -0.781 1.00 54.00 H new ATOM 0 HB1 ALA A 788 1.432 4.472 -1.095 1.00 24.53 H new ATOM 0 HB2 ALA A 788 1.782 2.739 -1.299 1.00 24.53 H new ATOM 0 HB3 ALA A 788 1.029 3.324 0.204 1.00 24.53 H new ATOM 1260 N LEU A 789 2.548 4.751 2.168 1.00 74.10 N ATOM 1261 CA LEU A 789 2.488 5.806 3.167 1.00 52.32 C ATOM 1262 C LEU A 789 3.898 6.215 3.571 1.00 45.03 C ATOM 1263 O LEU A 789 4.165 7.391 3.790 1.00 52.13 O ATOM 1264 CB LEU A 789 1.686 5.364 4.399 1.00 15.14 C ATOM 1265 CG LEU A 789 0.266 4.871 4.115 1.00 34.23 C ATOM 1266 CD1 LEU A 789 -0.446 4.521 5.410 1.00 75.23 C ATOM 1267 CD2 LEU A 789 -0.518 5.918 3.340 1.00 11.01 C ATOM 0 H LEU A 789 2.132 3.867 2.460 1.00 74.10 H new ATOM 0 HA LEU A 789 1.976 6.663 2.729 1.00 52.32 H new ATOM 0 HB2 LEU A 789 2.235 4.568 4.902 1.00 15.14 H new ATOM 0 HB3 LEU A 789 1.629 6.201 5.094 1.00 15.14 H new ATOM 0 HG LEU A 789 0.331 3.970 3.505 1.00 34.23 H new ATOM 0 HD11 LEU A 789 -1.455 4.172 5.188 1.00 75.23 H new ATOM 0 HD12 LEU A 789 0.104 3.735 5.927 1.00 75.23 H new ATOM 0 HD13 LEU A 789 -0.499 5.405 6.046 1.00 75.23 H new ATOM 0 HD21 LEU A 789 -1.525 5.549 3.147 1.00 11.01 H new ATOM 0 HD22 LEU A 789 -0.573 6.837 3.924 1.00 11.01 H new ATOM 0 HD23 LEU A 789 -0.018 6.119 2.393 1.00 11.01 H new ATOM 1279 N ARG A 790 4.804 5.239 3.632 1.00 73.41 N ATOM 1280 CA ARG A 790 6.204 5.510 3.955 1.00 73.12 C ATOM 1281 C ARG A 790 6.796 6.480 2.939 1.00 33.35 C ATOM 1282 O ARG A 790 7.525 7.402 3.298 1.00 42.33 O ATOM 1283 CB ARG A 790 7.035 4.221 3.966 1.00 72.24 C ATOM 1284 CG ARG A 790 6.384 3.068 4.712 1.00 11.24 C ATOM 1285 CD ARG A 790 6.160 3.380 6.181 1.00 75.23 C ATOM 1286 NE ARG A 790 7.400 3.322 6.948 1.00 71.40 N ATOM 1287 CZ ARG A 790 7.780 2.263 7.661 1.00 62.13 C ATOM 1288 NH1 ARG A 790 7.016 1.174 7.702 1.00 24.24 N ATOM 1289 NH2 ARG A 790 8.928 2.284 8.327 1.00 41.52 N ATOM 0 H ARG A 790 4.594 4.255 3.462 1.00 73.41 H new ATOM 0 HA ARG A 790 6.235 5.951 4.951 1.00 73.12 H new ATOM 0 HB2 ARG A 790 7.223 3.914 2.937 1.00 72.24 H new ATOM 0 HB3 ARG A 790 8.005 4.431 4.418 1.00 72.24 H new ATOM 0 HG2 ARG A 790 5.429 2.830 4.244 1.00 11.24 H new ATOM 0 HG3 ARG A 790 7.012 2.181 4.624 1.00 11.24 H new ATOM 0 HD2 ARG A 790 5.720 4.373 6.278 1.00 75.23 H new ATOM 0 HD3 ARG A 790 5.443 2.672 6.597 1.00 75.23 H new ATOM 0 HE ARG A 790 8.011 4.139 6.938 1.00 71.40 H new ATOM 0 HH11 ARG A 790 6.136 1.148 7.186 1.00 24.24 H new ATOM 0 HH12 ARG A 790 7.310 0.365 8.249 1.00 24.24 H new ATOM 0 HH21 ARG A 790 9.522 3.113 8.294 1.00 41.52 H new ATOM 0 HH22 ARG A 790 9.216 1.472 8.872 1.00 41.52 H new ATOM 1303 N VAL A 791 6.471 6.264 1.666 1.00 54.42 N ATOM 1304 CA VAL A 791 6.921 7.144 0.591 1.00 13.54 C ATOM 1305 C VAL A 791 6.327 8.537 0.759 1.00 52.43 C ATOM 1306 O VAL A 791 7.042 9.534 0.727 1.00 42.31 O ATOM 1307 CB VAL A 791 6.529 6.593 -0.800 1.00 1.00 C ATOM 1308 CG1 VAL A 791 7.042 7.499 -1.910 1.00 51.42 C ATOM 1309 CG2 VAL A 791 7.050 5.179 -0.988 1.00 73.13 C ATOM 0 H VAL A 791 5.895 5.483 1.353 1.00 54.42 H new ATOM 0 HA VAL A 791 8.008 7.195 0.652 1.00 13.54 H new ATOM 0 HB VAL A 791 5.441 6.569 -0.854 1.00 1.00 H new ATOM 0 HG11 VAL A 791 6.753 7.089 -2.877 1.00 51.42 H new ATOM 0 HG12 VAL A 791 6.613 8.494 -1.795 1.00 51.42 H new ATOM 0 HG13 VAL A 791 8.129 7.564 -1.854 1.00 51.42 H new ATOM 0 HG21 VAL A 791 6.762 4.813 -1.973 1.00 73.13 H new ATOM 0 HG22 VAL A 791 8.137 5.177 -0.904 1.00 73.13 H new ATOM 0 HG23 VAL A 791 6.626 4.530 -0.222 1.00 73.13 H new ATOM 1319 N LEU A 792 5.015 8.591 0.960 1.00 32.32 N ATOM 1320 CA LEU A 792 4.303 9.858 1.115 1.00 12.44 C ATOM 1321 C LEU A 792 4.857 10.639 2.302 1.00 23.04 C ATOM 1322 O LEU A 792 5.121 11.840 2.208 1.00 34.15 O ATOM 1323 CB LEU A 792 2.811 9.591 1.322 1.00 15.22 C ATOM 1324 CG LEU A 792 2.197 8.570 0.362 1.00 43.50 C ATOM 1325 CD1 LEU A 792 0.746 8.309 0.721 1.00 52.10 C ATOM 1326 CD2 LEU A 792 2.321 9.036 -1.079 1.00 33.15 C ATOM 0 H LEU A 792 4.418 7.766 1.020 1.00 32.32 H new ATOM 0 HA LEU A 792 4.443 10.451 0.211 1.00 12.44 H new ATOM 0 HB2 LEU A 792 2.658 9.244 2.344 1.00 15.22 H new ATOM 0 HB3 LEU A 792 2.271 10.533 1.221 1.00 15.22 H new ATOM 0 HG LEU A 792 2.749 7.635 0.460 1.00 43.50 H new ATOM 0 HD11 LEU A 792 0.325 7.581 0.028 1.00 52.10 H new ATOM 0 HD12 LEU A 792 0.687 7.919 1.737 1.00 52.10 H new ATOM 0 HD13 LEU A 792 0.182 9.240 0.656 1.00 52.10 H new ATOM 0 HD21 LEU A 792 1.877 8.293 -1.741 1.00 33.15 H new ATOM 0 HD22 LEU A 792 1.801 9.986 -1.200 1.00 33.15 H new ATOM 0 HD23 LEU A 792 3.374 9.164 -1.331 1.00 33.15 H new ATOM 1338 N ILE A 793 5.027 9.939 3.414 1.00 72.40 N ATOM 1339 CA ILE A 793 5.603 10.514 4.619 1.00 15.14 C ATOM 1340 C ILE A 793 7.046 10.956 4.370 1.00 14.43 C ATOM 1341 O ILE A 793 7.440 12.063 4.735 1.00 21.42 O ATOM 1342 CB ILE A 793 5.547 9.491 5.783 1.00 22.44 C ATOM 1343 CG1 ILE A 793 4.086 9.206 6.151 1.00 12.55 C ATOM 1344 CG2 ILE A 793 6.325 9.991 6.993 1.00 41.44 C ATOM 1345 CD1 ILE A 793 3.898 8.042 7.103 1.00 74.41 C ATOM 0 H ILE A 793 4.769 8.956 3.506 1.00 72.40 H new ATOM 0 HA ILE A 793 5.018 11.391 4.895 1.00 15.14 H new ATOM 0 HB ILE A 793 6.016 8.564 5.455 1.00 22.44 H new ATOM 0 HG12 ILE A 793 3.656 10.101 6.601 1.00 12.55 H new ATOM 0 HG13 ILE A 793 3.526 9.007 5.237 1.00 12.55 H new ATOM 0 HG21 ILE A 793 6.268 9.253 7.793 1.00 41.44 H new ATOM 0 HG22 ILE A 793 7.368 10.146 6.716 1.00 41.44 H new ATOM 0 HG23 ILE A 793 5.897 10.933 7.337 1.00 41.44 H new ATOM 0 HD11 ILE A 793 2.836 7.910 7.311 1.00 74.41 H new ATOM 0 HD12 ILE A 793 4.295 7.134 6.650 1.00 74.41 H new ATOM 0 HD13 ILE A 793 4.427 8.244 8.034 1.00 74.41 H new ATOM 1357 N GLY A 794 7.814 10.091 3.718 1.00 15.31 N ATOM 1358 CA GLY A 794 9.211 10.374 3.448 1.00 22.22 C ATOM 1359 C GLY A 794 9.405 11.542 2.499 1.00 53.42 C ATOM 1360 O GLY A 794 10.302 12.364 2.693 1.00 13.44 O ATOM 0 H GLY A 794 7.490 9.189 3.368 1.00 15.31 H new ATOM 0 HA2 GLY A 794 9.721 10.587 4.387 1.00 22.22 H new ATOM 0 HA3 GLY A 794 9.681 9.486 3.024 1.00 22.22 H new ATOM 1364 N GLU A 795 8.571 11.631 1.474 1.00 72.21 N ATOM 1365 CA GLU A 795 8.692 12.704 0.498 1.00 70.40 C ATOM 1366 C GLU A 795 8.203 14.028 1.069 1.00 61.30 C ATOM 1367 O GLU A 795 8.510 15.092 0.537 1.00 1.04 O ATOM 1368 CB GLU A 795 7.947 12.363 -0.791 1.00 73.23 C ATOM 1369 CG GLU A 795 8.561 11.189 -1.535 1.00 53.44 C ATOM 1370 CD GLU A 795 10.056 11.348 -1.730 1.00 5.35 C ATOM 1371 OE1 GLU A 795 10.473 12.018 -2.696 1.00 11.20 O ATOM 1372 OE2 GLU A 795 10.829 10.811 -0.909 1.00 51.23 O ATOM 0 H GLU A 795 7.808 10.978 1.297 1.00 72.21 H new ATOM 0 HA GLU A 795 9.750 12.812 0.259 1.00 70.40 H new ATOM 0 HB2 GLU A 795 6.908 12.134 -0.555 1.00 73.23 H new ATOM 0 HB3 GLU A 795 7.940 13.237 -1.443 1.00 73.23 H new ATOM 0 HG2 GLU A 795 8.365 10.270 -0.983 1.00 53.44 H new ATOM 0 HG3 GLU A 795 8.079 11.086 -2.507 1.00 53.44 H new ATOM 1379 N ASN A 796 7.458 13.964 2.161 1.00 65.12 N ATOM 1380 CA ASN A 796 7.032 15.174 2.845 1.00 51.50 C ATOM 1381 C ASN A 796 8.080 15.566 3.883 1.00 31.25 C ATOM 1382 O ASN A 796 8.068 16.671 4.420 1.00 11.03 O ATOM 1383 CB ASN A 796 5.668 14.972 3.508 1.00 44.42 C ATOM 1384 CG ASN A 796 4.988 16.284 3.859 1.00 32.30 C ATOM 1385 OD1 ASN A 796 4.260 16.853 3.045 1.00 75.31 O ATOM 1386 ND2 ASN A 796 5.203 16.764 5.077 1.00 50.13 N ATOM 0 H ASN A 796 7.138 13.095 2.590 1.00 65.12 H new ATOM 0 HA ASN A 796 6.932 15.977 2.115 1.00 51.50 H new ATOM 0 HB2 ASN A 796 5.024 14.401 2.839 1.00 44.42 H new ATOM 0 HB3 ASN A 796 5.793 14.378 4.414 1.00 44.42 H new ATOM 0 HD21 ASN A 796 4.758 17.634 5.368 1.00 50.13 H new ATOM 0 HD22 ASN A 796 5.813 16.263 5.722 1.00 50.13 H new