USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 563 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 711 MET CE :methyl 159:sc= -1.31 (180deg=-1.03) USER MOD Set 1.2: A 714 MET CE :methyl -164:sc= -5.62! (180deg=-6.03!) USER MOD Set 2.1: A 675 CYS SG : rot 150:sc= -0.497 USER MOD Set 2.2: A 710 MET CE :methyl -119:sc= -5.74! (180deg=-7.59!) USER MOD Single : A 652 CYS SG : rot 180:sc= -0.126 USER MOD Single : A 653 GLN :FLIP amide:sc= -0.462 F(o=-1.6,f=-0.46) USER MOD Single : A 658 ASN :FLIP amide:sc= -0.496 F(o=-1.6,f=-0.5) USER MOD Single : A 664 THR OG1 : rot 180:sc= 0 USER MOD Single : A 666 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 170:sc= -2.88! (180deg=-3.29!) USER MOD Single : A 669 LYS NZ :NH3+ 171:sc= 0.0267 (180deg=0.0175) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 673 ASN :FLIP amide:sc= -1.32 F(o=-4.4,f=-1.3) USER MOD Single : A 677 HIS :FLIP no HD1:sc= -0.764 F(o=-2!,f=-0.76) USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000435) USER MOD Single : A 691 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.423) USER MOD Single : A 693 CYS SG : rot 180:sc= -2.52 USER MOD Single : A 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 708 CYS SG : rot 52:sc= -0.756 USER MOD Single : A 712 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.7) USER MOD Single : A 715 LYS NZ :NH3+ -158:sc= -0.137 (180deg=-0.655) USER MOD Single : A 717 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.305 -3.379 7.318 1.00 0.00 N ATOM 77 CA CYS A 652 7.962 -3.833 7.662 1.00 0.00 C ATOM 78 C CYS A 652 6.955 -3.406 6.600 1.00 0.00 C ATOM 79 O CYS A 652 5.991 -4.120 6.324 1.00 0.00 O ATOM 80 CB CYS A 652 7.549 -3.278 9.026 1.00 0.00 C ATOM 81 SG CYS A 652 7.588 -1.474 9.133 1.00 0.00 S ATOM 0 HA CYS A 652 7.973 -4.922 7.708 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.541 -3.623 9.256 1.00 0.00 H new ATOM 0 HB3 CYS A 652 8.209 -3.691 9.789 1.00 0.00 H new ATOM 0 HG CYS A 652 7.221 -1.102 10.323 1.00 0.00 H new ATOM 87 N GLN A 653 7.185 -2.238 6.009 1.00 0.00 N ATOM 88 CA GLN A 653 6.295 -1.716 4.978 1.00 0.00 C ATOM 89 C GLN A 653 6.736 -2.178 3.593 1.00 0.00 C ATOM 90 O GLN A 653 7.930 -2.332 3.331 1.00 0.00 O ATOM 91 CB GLN A 653 6.260 -0.187 5.032 1.00 0.00 C ATOM 92 CG GLN A 653 5.252 0.432 4.077 1.00 0.00 C ATOM 93 CD GLN A 653 5.539 1.893 3.792 1.00 0.00 C ATOM 94 OE1 GLN A 653 5.639 2.239 2.514 1.00 0.00 O flip ATOM 95 NE2 GLN A 653 5.670 2.702 4.711 1.00 0.00 N flip ATOM 0 H GLN A 653 7.979 -1.636 6.226 1.00 0.00 H new ATOM 0 HA GLN A 653 5.294 -2.103 5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 653 6.025 0.127 6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.253 0.199 4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 653 5.256 -0.125 3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.252 0.338 4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 653 5.585 2.392 5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 653 5.863 3.682 4.504 1.00 0.00 H new ATOM 104 N ILE A 654 5.767 -2.397 2.711 1.00 0.00 N ATOM 105 CA ILE A 654 6.056 -2.841 1.353 1.00 0.00 C ATOM 106 C ILE A 654 5.277 -2.022 0.330 1.00 0.00 C ATOM 107 O ILE A 654 4.467 -1.167 0.689 1.00 0.00 O ATOM 108 CB ILE A 654 5.720 -4.332 1.164 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.230 -4.576 1.410 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.564 -5.187 2.098 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.754 -5.932 0.937 1.00 0.00 C ATOM 0 H ILE A 654 4.775 -2.274 2.912 1.00 0.00 H new ATOM 0 HA ILE A 654 7.124 -2.695 1.194 1.00 0.00 H new ATOM 0 HB ILE A 654 5.950 -4.615 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 654 4.025 -4.480 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.655 -3.801 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.315 -6.238 1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.620 -5.030 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.362 -4.905 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.689 -6.036 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.927 -6.025 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.303 -6.714 1.462 1.00 0.00 H new ATOM 123 N PHE A 655 5.527 -2.289 -0.948 1.00 0.00 N ATOM 124 CA PHE A 655 4.848 -1.578 -2.025 1.00 0.00 C ATOM 125 C PHE A 655 4.216 -2.557 -3.010 1.00 0.00 C ATOM 126 O PHE A 655 4.600 -3.725 -3.074 1.00 0.00 O ATOM 127 CB PHE A 655 5.830 -0.662 -2.758 1.00 0.00 C ATOM 128 CG PHE A 655 5.171 0.514 -3.422 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.909 1.672 -2.708 1.00 0.00 C ATOM 130 CD2 PHE A 655 4.814 0.460 -4.759 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.304 2.756 -3.316 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.209 1.540 -5.373 1.00 0.00 C ATOM 133 CZ PHE A 655 3.952 2.689 -4.650 1.00 0.00 C ATOM 0 H PHE A 655 6.195 -2.993 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 655 4.056 -0.972 -1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.574 -0.299 -2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.363 -1.242 -3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.181 1.728 -1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.011 -0.436 -5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 655 4.107 3.654 -2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 655 3.937 1.486 -6.417 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.477 3.533 -5.127 1.00 0.00 H new ATOM 143 N VAL A 656 3.244 -2.072 -3.776 1.00 0.00 N ATOM 144 CA VAL A 656 2.559 -2.903 -4.759 1.00 0.00 C ATOM 145 C VAL A 656 2.163 -2.089 -5.986 1.00 0.00 C ATOM 146 O VAL A 656 1.879 -0.895 -5.886 1.00 0.00 O ATOM 147 CB VAL A 656 1.299 -3.556 -4.161 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.705 -4.562 -5.135 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.623 -4.218 -2.830 1.00 0.00 C ATOM 0 H VAL A 656 2.913 -1.108 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 656 3.258 -3.685 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 656 0.557 -2.777 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.184 -5.013 -4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.434 -4.055 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.439 -5.340 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.721 -4.674 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.382 -4.986 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.998 -3.469 -2.133 1.00 0.00 H new ATOM 159 N ARG A 657 2.144 -2.744 -7.142 1.00 0.00 N ATOM 160 CA ARG A 657 1.783 -2.081 -8.389 1.00 0.00 C ATOM 161 C ARG A 657 1.062 -3.044 -9.328 1.00 0.00 C ATOM 162 O ARG A 657 1.121 -4.260 -9.150 1.00 0.00 O ATOM 163 CB ARG A 657 3.031 -1.522 -9.075 1.00 0.00 C ATOM 164 CG ARG A 657 3.730 -0.435 -8.276 1.00 0.00 C ATOM 165 CD ARG A 657 5.206 -0.345 -8.629 1.00 0.00 C ATOM 166 NE ARG A 657 5.444 0.545 -9.762 1.00 0.00 N ATOM 167 CZ ARG A 657 6.507 0.457 -10.554 1.00 0.00 C ATOM 168 NH1 ARG A 657 7.424 -0.475 -10.338 1.00 0.00 N ATOM 169 NH2 ARG A 657 6.653 1.304 -11.566 1.00 0.00 N ATOM 0 H ARG A 657 2.374 -3.733 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 657 1.108 -1.259 -8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.732 -2.337 -9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.751 -1.122 -10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.250 0.525 -8.468 1.00 0.00 H new ATOM 0 HG3 ARG A 657 3.621 -0.638 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.765 0.012 -7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 657 5.584 -1.340 -8.864 1.00 0.00 H new ATOM 0 HE ARG A 657 4.757 1.274 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 657 7.315 -1.128 -9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 657 8.239 -0.540 -10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 657 5.949 2.022 -11.735 1.00 0.00 H new ATOM 0 HH22 ARG A 657 7.469 1.236 -12.174 1.00 0.00 H new ATOM 183 N ASN A 658 0.382 -2.491 -10.327 1.00 0.00 N ATOM 184 CA ASN A 658 -0.352 -3.301 -11.293 1.00 0.00 C ATOM 185 C ASN A 658 -1.516 -4.025 -10.624 1.00 0.00 C ATOM 186 O ASN A 658 -1.721 -5.221 -10.834 1.00 0.00 O ATOM 187 CB ASN A 658 0.584 -4.317 -11.953 1.00 0.00 C ATOM 188 CG ASN A 658 0.161 -4.656 -13.369 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.654 -5.695 -13.511 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 0.564 -3.992 -14.325 1.00 0.00 N flip ATOM 0 H ASN A 658 0.324 -1.486 -10.489 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.753 -2.636 -12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.598 -3.918 -11.965 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.607 -5.228 -11.355 1.00 0.00 H new ATOM 0 HD21 ASN A 658 1.189 -3.201 -14.169 1.00 0.00 H new ATOM 0 HD22 ASN A 658 0.272 -4.233 -15.272 1.00 0.00 H new ATOM 197 N LEU A 659 -2.276 -3.292 -9.817 1.00 0.00 N ATOM 198 CA LEU A 659 -3.421 -3.863 -9.117 1.00 0.00 C ATOM 199 C LEU A 659 -4.717 -3.574 -9.866 1.00 0.00 C ATOM 200 O LEU A 659 -4.911 -2.496 -10.429 1.00 0.00 O ATOM 201 CB LEU A 659 -3.505 -3.304 -7.695 1.00 0.00 C ATOM 202 CG LEU A 659 -2.503 -3.873 -6.690 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.345 -2.934 -5.504 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.939 -5.254 -6.225 1.00 0.00 C ATOM 0 H LEU A 659 -2.120 -2.301 -9.632 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.284 -4.943 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.368 -2.224 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.511 -3.482 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.536 -3.967 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.628 -3.355 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -1.985 -1.966 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.308 -2.807 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -2.214 -5.643 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.917 -5.186 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.999 -5.924 -7.082 1.00 0.00 H new ATOM 216 N PRO A 660 -5.629 -4.558 -9.873 1.00 0.00 N ATOM 217 CA PRO A 660 -6.924 -4.432 -10.548 1.00 0.00 C ATOM 218 C PRO A 660 -7.630 -3.124 -10.208 1.00 0.00 C ATOM 219 O PRO A 660 -7.799 -2.784 -9.037 1.00 0.00 O ATOM 220 CB PRO A 660 -7.721 -5.624 -10.012 1.00 0.00 C ATOM 221 CG PRO A 660 -6.689 -6.630 -9.633 1.00 0.00 C ATOM 222 CD PRO A 660 -5.466 -5.869 -9.223 1.00 0.00 C ATOM 0 HA PRO A 660 -6.819 -4.425 -11.633 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.330 -5.339 -9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.400 -6.019 -10.768 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.044 -7.258 -8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.469 -7.291 -10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.401 -5.772 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.555 -6.368 -9.554 1.00 0.00 H new ATOM 230 N PHE A 661 -8.041 -2.393 -11.239 1.00 0.00 N ATOM 231 CA PHE A 661 -8.729 -1.121 -11.049 1.00 0.00 C ATOM 232 C PHE A 661 -9.710 -1.202 -9.883 1.00 0.00 C ATOM 233 O PHE A 661 -9.703 -0.352 -8.993 1.00 0.00 O ATOM 234 CB PHE A 661 -9.470 -0.722 -12.327 1.00 0.00 C ATOM 235 CG PHE A 661 -8.556 -0.301 -13.443 1.00 0.00 C ATOM 236 CD1 PHE A 661 -8.112 1.009 -13.534 1.00 0.00 C ATOM 237 CD2 PHE A 661 -8.142 -1.213 -14.399 1.00 0.00 C ATOM 238 CE1 PHE A 661 -7.272 1.399 -14.560 1.00 0.00 C ATOM 239 CE2 PHE A 661 -7.302 -0.829 -15.427 1.00 0.00 C ATOM 240 CZ PHE A 661 -6.866 0.479 -15.507 1.00 0.00 C ATOM 0 H PHE A 661 -7.910 -2.660 -12.215 1.00 0.00 H new ATOM 0 HA PHE A 661 -7.981 -0.362 -10.819 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -10.077 -1.562 -12.663 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.154 0.096 -12.101 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -8.426 1.732 -12.796 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -8.480 -2.237 -14.341 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -6.933 2.423 -14.621 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -6.987 -1.550 -16.166 1.00 0.00 H new ATOM 0 HZ PHE A 661 -6.209 0.782 -16.309 1.00 0.00 H new ATOM 250 N ASP A 662 -10.552 -2.229 -9.897 1.00 0.00 N ATOM 251 CA ASP A 662 -11.540 -2.422 -8.842 1.00 0.00 C ATOM 252 C ASP A 662 -10.859 -2.624 -7.491 1.00 0.00 C ATOM 253 O ASP A 662 -11.337 -2.140 -6.465 1.00 0.00 O ATOM 254 CB ASP A 662 -12.431 -3.623 -9.162 1.00 0.00 C ATOM 255 CG ASP A 662 -11.680 -4.727 -9.879 1.00 0.00 C ATOM 256 OD1 ASP A 662 -10.525 -5.006 -9.495 1.00 0.00 O ATOM 257 OD2 ASP A 662 -12.248 -5.314 -10.824 1.00 0.00 O ATOM 0 H ASP A 662 -10.570 -2.941 -10.627 1.00 0.00 H new ATOM 0 HA ASP A 662 -12.158 -1.526 -8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -12.852 -4.016 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -13.268 -3.296 -9.780 1.00 0.00 H new ATOM 262 N PHE A 663 -9.742 -3.343 -7.499 1.00 0.00 N ATOM 263 CA PHE A 663 -8.996 -3.611 -6.275 1.00 0.00 C ATOM 264 C PHE A 663 -9.057 -2.415 -5.329 1.00 0.00 C ATOM 265 O PHE A 663 -8.562 -1.332 -5.645 1.00 0.00 O ATOM 266 CB PHE A 663 -7.539 -3.943 -6.602 1.00 0.00 C ATOM 267 CG PHE A 663 -6.904 -4.887 -5.621 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.234 -6.233 -5.621 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.978 -4.428 -4.698 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.652 -7.103 -4.719 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.392 -5.294 -3.794 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.729 -6.633 -3.805 1.00 0.00 C ATOM 0 H PHE A 663 -9.333 -3.751 -8.340 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.454 -4.468 -5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.489 -4.381 -7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.962 -3.019 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -7.954 -6.606 -6.334 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.711 -3.382 -4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -6.918 -8.150 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.671 -4.924 -3.080 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.272 -7.312 -3.100 1.00 0.00 H new ATOM 282 N THR A 664 -9.667 -2.618 -4.165 1.00 0.00 N ATOM 283 CA THR A 664 -9.794 -1.558 -3.173 1.00 0.00 C ATOM 284 C THR A 664 -8.846 -1.785 -2.002 1.00 0.00 C ATOM 285 O THR A 664 -8.170 -2.811 -1.927 1.00 0.00 O ATOM 286 CB THR A 664 -11.236 -1.458 -2.640 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.605 -2.682 -1.994 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.211 -1.161 -3.769 1.00 0.00 C ATOM 0 H THR A 664 -10.081 -3.508 -3.886 1.00 0.00 H new ATOM 0 HA THR A 664 -9.533 -0.625 -3.672 1.00 0.00 H new ATOM 0 HB THR A 664 -11.278 -0.640 -1.920 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.522 -2.610 -1.656 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.223 -1.095 -3.368 1.00 0.00 H new ATOM 0 HG22 THR A 664 -11.945 -0.215 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.165 -1.960 -4.509 1.00 0.00 H new ATOM 296 N TRP A 665 -8.801 -0.822 -1.088 1.00 0.00 N ATOM 297 CA TRP A 665 -7.935 -0.917 0.081 1.00 0.00 C ATOM 298 C TRP A 665 -8.320 -2.111 0.948 1.00 0.00 C ATOM 299 O TRP A 665 -7.476 -2.936 1.297 1.00 0.00 O ATOM 300 CB TRP A 665 -8.010 0.371 0.903 1.00 0.00 C ATOM 301 CG TRP A 665 -9.122 0.371 1.907 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.298 1.061 1.828 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.162 -0.352 3.142 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.066 0.811 2.939 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.392 -0.054 3.760 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.280 -1.224 3.785 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -10.758 -0.596 4.989 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.644 -1.761 5.005 1.00 0.00 C ATOM 309 CH2 TRP A 665 -9.875 -1.446 5.597 1.00 0.00 C ATOM 0 H TRP A 665 -9.354 0.034 -1.134 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.912 -1.059 -0.266 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.062 0.519 1.421 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.139 1.217 0.228 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.582 1.708 1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -11.989 1.205 3.123 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.330 -1.474 3.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -11.706 -0.354 5.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -7.969 -2.435 5.511 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.131 -1.883 6.551 1.00 0.00 H new ATOM 320 N LYS A 666 -9.601 -2.198 1.292 1.00 0.00 N ATOM 321 CA LYS A 666 -10.099 -3.292 2.117 1.00 0.00 C ATOM 322 C LYS A 666 -9.545 -4.630 1.638 1.00 0.00 C ATOM 323 O LYS A 666 -9.042 -5.424 2.432 1.00 0.00 O ATOM 324 CB LYS A 666 -11.629 -3.322 2.091 1.00 0.00 C ATOM 325 CG LYS A 666 -12.227 -4.500 2.841 1.00 0.00 C ATOM 326 CD LYS A 666 -12.118 -4.316 4.345 1.00 0.00 C ATOM 327 CE LYS A 666 -13.314 -3.559 4.902 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.435 -4.474 5.254 1.00 0.00 N ATOM 0 H LYS A 666 -10.313 -1.523 1.012 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.763 -3.125 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -12.010 -2.396 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.966 -3.353 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.274 -4.616 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.716 -5.417 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -12.046 -5.291 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -11.202 -3.775 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -13.010 -3.000 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.657 -2.831 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -15.231 -3.920 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -14.743 -4.989 4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -14.116 -5.153 5.974 1.00 0.00 H new ATOM 342 N MET A 667 -9.641 -4.873 0.335 1.00 0.00 N ATOM 343 CA MET A 667 -9.147 -6.114 -0.249 1.00 0.00 C ATOM 344 C MET A 667 -7.633 -6.224 -0.094 1.00 0.00 C ATOM 345 O MET A 667 -7.120 -7.229 0.400 1.00 0.00 O ATOM 346 CB MET A 667 -9.526 -6.193 -1.729 1.00 0.00 C ATOM 347 CG MET A 667 -10.950 -6.669 -1.967 1.00 0.00 C ATOM 348 SD MET A 667 -11.144 -7.520 -3.544 1.00 0.00 S ATOM 349 CE MET A 667 -10.611 -6.246 -4.684 1.00 0.00 C ATOM 0 H MET A 667 -10.056 -4.227 -0.336 1.00 0.00 H new ATOM 0 HA MET A 667 -9.610 -6.945 0.283 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.400 -5.209 -2.181 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.836 -6.867 -2.237 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.245 -7.338 -1.159 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.625 -5.814 -1.935 1.00 0.00 H new ATOM 0 HE1 MET A 667 -10.504 -6.672 -5.682 1.00 0.00 H new ATOM 0 HE2 MET A 667 -11.352 -5.447 -4.708 1.00 0.00 H new ATOM 0 HE3 MET A 667 -9.653 -5.843 -4.357 1.00 0.00 H new ATOM 359 N LEU A 668 -6.923 -5.184 -0.518 1.00 0.00 N ATOM 360 CA LEU A 668 -5.467 -5.163 -0.426 1.00 0.00 C ATOM 361 C LEU A 668 -5.000 -5.690 0.927 1.00 0.00 C ATOM 362 O LEU A 668 -4.072 -6.496 1.005 1.00 0.00 O ATOM 363 CB LEU A 668 -4.943 -3.742 -0.641 1.00 0.00 C ATOM 364 CG LEU A 668 -3.500 -3.486 -0.207 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.527 -4.136 -1.179 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.232 -1.992 -0.100 1.00 0.00 C ATOM 0 H LEU A 668 -7.332 -4.345 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.069 -5.812 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.031 -3.500 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.591 -3.052 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.352 -3.932 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.505 -3.943 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.703 -5.211 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.675 -3.720 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.200 -1.829 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.398 -1.522 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.906 -1.553 0.636 1.00 0.00 H new ATOM 378 N LYS A 669 -5.649 -5.232 1.991 1.00 0.00 N ATOM 379 CA LYS A 669 -5.303 -5.659 3.342 1.00 0.00 C ATOM 380 C LYS A 669 -5.572 -7.149 3.527 1.00 0.00 C ATOM 381 O LYS A 669 -4.642 -7.949 3.630 1.00 0.00 O ATOM 382 CB LYS A 669 -6.099 -4.854 4.373 1.00 0.00 C ATOM 383 CG LYS A 669 -6.063 -5.451 5.769 1.00 0.00 C ATOM 384 CD LYS A 669 -6.918 -4.652 6.739 1.00 0.00 C ATOM 385 CE LYS A 669 -6.165 -3.449 7.285 1.00 0.00 C ATOM 386 NZ LYS A 669 -7.044 -2.570 8.105 1.00 0.00 N ATOM 0 H LYS A 669 -6.419 -4.564 1.944 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.239 -5.478 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.706 -3.838 4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.136 -4.782 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.417 -6.481 5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -5.034 -5.479 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -7.825 -4.317 6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.230 -5.293 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -5.326 -3.790 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -5.748 -2.875 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.466 -1.849 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.740 -2.104 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -7.541 -3.143 8.817 1.00 0.00 H new ATOM 400 N ASP A 670 -6.848 -7.515 3.568 1.00 0.00 N ATOM 401 CA ASP A 670 -7.239 -8.909 3.738 1.00 0.00 C ATOM 402 C ASP A 670 -6.471 -9.810 2.775 1.00 0.00 C ATOM 403 O ASP A 670 -6.347 -11.014 2.999 1.00 0.00 O ATOM 404 CB ASP A 670 -8.744 -9.070 3.517 1.00 0.00 C ATOM 405 CG ASP A 670 -9.561 -8.502 4.661 1.00 0.00 C ATOM 406 OD1 ASP A 670 -9.658 -7.261 4.761 1.00 0.00 O ATOM 407 OD2 ASP A 670 -10.103 -9.299 5.454 1.00 0.00 O ATOM 0 H ASP A 670 -7.630 -6.865 3.486 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.996 -9.207 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.027 -8.572 2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.980 -10.127 3.396 1.00 0.00 H new ATOM 412 N LYS A 671 -5.959 -9.218 1.701 1.00 0.00 N ATOM 413 CA LYS A 671 -5.204 -9.966 0.702 1.00 0.00 C ATOM 414 C LYS A 671 -3.828 -10.351 1.237 1.00 0.00 C ATOM 415 O LYS A 671 -3.374 -11.481 1.053 1.00 0.00 O ATOM 416 CB LYS A 671 -5.052 -9.139 -0.577 1.00 0.00 C ATOM 417 CG LYS A 671 -4.600 -9.952 -1.777 1.00 0.00 C ATOM 418 CD LYS A 671 -5.764 -10.680 -2.428 1.00 0.00 C ATOM 419 CE LYS A 671 -5.281 -11.773 -3.369 1.00 0.00 C ATOM 420 NZ LYS A 671 -6.271 -12.879 -3.489 1.00 0.00 N ATOM 0 H LYS A 671 -6.053 -8.222 1.500 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.755 -10.878 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.006 -8.665 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.333 -8.339 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -4.128 -9.294 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.846 -10.675 -1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -6.399 -11.117 -1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -6.377 -9.968 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -5.092 -11.347 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -4.333 -12.172 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -5.905 -13.604 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -6.433 -13.303 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -7.168 -12.504 -3.859 1.00 0.00 H new ATOM 434 N PHE A 672 -3.170 -9.406 1.900 1.00 0.00 N ATOM 435 CA PHE A 672 -1.847 -9.647 2.462 1.00 0.00 C ATOM 436 C PHE A 672 -1.951 -10.254 3.859 1.00 0.00 C ATOM 437 O PHE A 672 -0.980 -10.796 4.386 1.00 0.00 O ATOM 438 CB PHE A 672 -1.048 -8.344 2.519 1.00 0.00 C ATOM 439 CG PHE A 672 -0.368 -8.000 1.224 1.00 0.00 C ATOM 440 CD1 PHE A 672 -1.090 -7.472 0.166 1.00 0.00 C ATOM 441 CD2 PHE A 672 0.993 -8.206 1.065 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.467 -7.156 -1.026 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.621 -7.892 -0.125 1.00 0.00 C ATOM 444 CZ PHE A 672 0.890 -7.365 -1.172 1.00 0.00 C ATOM 0 H PHE A 672 -3.532 -8.466 2.061 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.329 -10.355 1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.717 -7.529 2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.297 -8.422 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.152 -7.306 0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.570 -8.617 1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -1.041 -6.746 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.682 -8.058 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.379 -7.117 -2.103 1.00 0.00 H new ATOM 454 N ASN A 673 -3.136 -10.157 4.452 1.00 0.00 N ATOM 455 CA ASN A 673 -3.368 -10.695 5.788 1.00 0.00 C ATOM 456 C ASN A 673 -2.890 -12.141 5.883 1.00 0.00 C ATOM 457 O ASN A 673 -2.332 -12.554 6.899 1.00 0.00 O ATOM 458 CB ASN A 673 -4.854 -10.614 6.142 1.00 0.00 C ATOM 459 CG ASN A 673 -5.223 -9.293 6.790 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.744 -8.197 6.214 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.930 -9.259 7.798 1.00 0.00 N flip ATOM 0 H ASN A 673 -3.950 -9.711 4.029 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.799 -10.095 6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.448 -10.751 5.238 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -5.109 -11.431 6.817 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -6.276 -10.127 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -6.169 -8.363 8.223 1.00 0.00 H new ATOM 468 N GLU A 674 -3.112 -12.903 4.817 1.00 0.00 N ATOM 469 CA GLU A 674 -2.703 -14.303 4.781 1.00 0.00 C ATOM 470 C GLU A 674 -1.270 -14.464 5.279 1.00 0.00 C ATOM 471 O GLU A 674 -0.954 -15.415 5.996 1.00 0.00 O ATOM 472 CB GLU A 674 -2.826 -14.856 3.360 1.00 0.00 C ATOM 473 CG GLU A 674 -4.246 -15.240 2.977 1.00 0.00 C ATOM 474 CD GLU A 674 -4.847 -16.265 3.918 1.00 0.00 C ATOM 475 OE1 GLU A 674 -5.397 -15.861 4.964 1.00 0.00 O ATOM 476 OE2 GLU A 674 -4.768 -17.472 3.608 1.00 0.00 O ATOM 0 H GLU A 674 -3.572 -12.576 3.968 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.364 -14.865 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -2.458 -14.110 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -2.183 -15.731 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.871 -14.347 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.250 -15.638 1.962 1.00 0.00 H new ATOM 483 N CYS A 675 -0.408 -13.530 4.894 1.00 0.00 N ATOM 484 CA CYS A 675 0.993 -13.568 5.300 1.00 0.00 C ATOM 485 C CYS A 675 1.131 -13.328 6.800 1.00 0.00 C ATOM 486 O CYS A 675 1.639 -14.177 7.531 1.00 0.00 O ATOM 487 CB CYS A 675 1.798 -12.522 4.528 1.00 0.00 C ATOM 488 SG CYS A 675 1.699 -12.694 2.731 1.00 0.00 S ATOM 0 H CYS A 675 -0.654 -12.737 4.301 1.00 0.00 H new ATOM 0 HA CYS A 675 1.385 -14.559 5.071 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.446 -11.529 4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 675 2.843 -12.586 4.832 1.00 0.00 H new ATOM 0 HG CYS A 675 1.822 -11.525 2.176 1.00 0.00 H new ATOM 494 N GLY A 676 0.677 -12.163 7.252 1.00 0.00 N ATOM 495 CA GLY A 676 0.760 -11.831 8.662 1.00 0.00 C ATOM 496 C GLY A 676 -0.322 -10.861 9.095 1.00 0.00 C ATOM 497 O GLY A 676 -1.364 -10.753 8.448 1.00 0.00 O ATOM 0 H GLY A 676 0.253 -11.443 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.682 -12.744 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.738 -11.398 8.873 1.00 0.00 H new ATOM 501 N HIS A 677 -0.076 -10.154 10.193 1.00 0.00 N ATOM 502 CA HIS A 677 -1.038 -9.188 10.712 1.00 0.00 C ATOM 503 C HIS A 677 -0.833 -7.818 10.072 1.00 0.00 C ATOM 504 O HIS A 677 0.066 -7.070 10.458 1.00 0.00 O ATOM 505 CB HIS A 677 -0.912 -9.078 12.232 1.00 0.00 C ATOM 506 CG HIS A 677 -1.936 -8.178 12.854 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.508 -7.040 12.397 1.00 0.00 N flip ATOM 508 CD2 HIS A 677 -2.486 -8.410 14.097 1.00 0.00 C flip ATOM 509 CE1 HIS A 677 -3.385 -6.610 13.363 1.00 0.00 C flip ATOM 510 NE2 HIS A 677 -3.353 -7.454 14.378 1.00 0.00 N flip ATOM 0 H HIS A 677 0.781 -10.232 10.741 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.039 -9.539 10.462 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.001 -10.073 12.669 1.00 0.00 H new ATOM 0 HB3 HIS A 677 0.083 -8.709 12.480 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -2.245 -9.243 14.740 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.001 -5.725 13.302 1.00 0.00 H new ATOM 0 HE2 HIS A 677 -3.904 -7.380 15.233 1.00 0.00 H new ATOM 519 N VAL A 678 -1.671 -7.497 9.092 1.00 0.00 N ATOM 520 CA VAL A 678 -1.582 -6.217 8.399 1.00 0.00 C ATOM 521 C VAL A 678 -2.222 -5.102 9.218 1.00 0.00 C ATOM 522 O VAL A 678 -3.261 -5.300 9.850 1.00 0.00 O ATOM 523 CB VAL A 678 -2.259 -6.279 7.017 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.236 -4.913 6.349 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.585 -7.323 6.140 1.00 0.00 C ATOM 0 H VAL A 678 -2.419 -8.105 8.760 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.522 -6.002 8.266 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.300 -6.571 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.719 -4.977 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.769 -4.195 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.204 -4.587 6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.076 -7.353 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.534 -7.064 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.661 -8.301 6.615 1.00 0.00 H new ATOM 535 N LEU A 679 -1.597 -3.930 9.202 1.00 0.00 N ATOM 536 CA LEU A 679 -2.107 -2.782 9.944 1.00 0.00 C ATOM 537 C LEU A 679 -2.477 -1.644 8.998 1.00 0.00 C ATOM 538 O LEU A 679 -3.630 -1.213 8.949 1.00 0.00 O ATOM 539 CB LEU A 679 -1.066 -2.300 10.956 1.00 0.00 C ATOM 540 CG LEU A 679 -0.461 -3.376 11.860 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.849 -2.892 12.461 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.442 -3.764 12.956 1.00 0.00 C ATOM 0 H LEU A 679 -0.737 -3.749 8.684 1.00 0.00 H new ATOM 0 HA LEU A 679 -3.005 -3.095 10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.257 -1.814 10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.527 -1.540 11.587 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.255 -4.259 11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.265 -3.670 13.101 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.554 -2.664 11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.668 -1.994 13.052 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.995 -4.530 13.590 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.679 -2.888 13.559 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.355 -4.153 12.506 1.00 0.00 H new ATOM 554 N TYR A 680 -1.493 -1.162 8.246 1.00 0.00 N ATOM 555 CA TYR A 680 -1.715 -0.075 7.301 1.00 0.00 C ATOM 556 C TYR A 680 -1.881 -0.610 5.883 1.00 0.00 C ATOM 557 O TYR A 680 -1.037 -1.355 5.386 1.00 0.00 O ATOM 558 CB TYR A 680 -0.552 0.918 7.351 1.00 0.00 C ATOM 559 CG TYR A 680 -0.593 1.955 6.252 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.794 2.536 5.862 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.569 2.354 5.603 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.836 3.483 4.857 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.536 3.302 4.598 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.668 3.863 4.229 1.00 0.00 C ATOM 565 OH TYR A 680 -0.706 4.807 3.229 1.00 0.00 O ATOM 0 H TYR A 680 -0.534 -1.508 8.273 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.634 0.437 7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.559 1.424 8.317 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.387 0.368 7.285 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.710 2.242 6.353 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.514 1.916 5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.778 3.923 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.449 3.602 4.104 1.00 0.00 H new ATOM 0 HH TYR A 680 0.201 4.963 2.892 1.00 0.00 H new ATOM 575 N ALA A 681 -2.976 -0.225 5.236 1.00 0.00 N ATOM 576 CA ALA A 681 -3.253 -0.663 3.873 1.00 0.00 C ATOM 577 C ALA A 681 -4.127 0.347 3.139 1.00 0.00 C ATOM 578 O ALA A 681 -5.229 0.669 3.584 1.00 0.00 O ATOM 579 CB ALA A 681 -3.919 -2.031 3.884 1.00 0.00 C ATOM 0 H ALA A 681 -3.686 0.390 5.634 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.304 -0.737 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.120 -2.346 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.258 -2.754 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.857 -1.975 4.437 1.00 0.00 H new ATOM 585 N ASP A 682 -3.629 0.845 2.012 1.00 0.00 N ATOM 586 CA ASP A 682 -4.365 1.819 1.215 1.00 0.00 C ATOM 587 C ASP A 682 -4.021 1.682 -0.265 1.00 0.00 C ATOM 588 O ASP A 682 -3.033 1.042 -0.625 1.00 0.00 O ATOM 589 CB ASP A 682 -4.057 3.239 1.694 1.00 0.00 C ATOM 590 CG ASP A 682 -5.155 4.221 1.337 1.00 0.00 C ATOM 591 OD1 ASP A 682 -5.144 4.737 0.200 1.00 0.00 O ATOM 592 OD2 ASP A 682 -6.027 4.473 2.195 1.00 0.00 O ATOM 0 H ASP A 682 -2.718 0.590 1.630 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.430 1.624 1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -3.917 3.232 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.118 3.572 1.253 1.00 0.00 H new ATOM 597 N ILE A 683 -4.842 2.286 -1.117 1.00 0.00 N ATOM 598 CA ILE A 683 -4.624 2.231 -2.557 1.00 0.00 C ATOM 599 C ILE A 683 -4.310 3.613 -3.118 1.00 0.00 C ATOM 600 O ILE A 683 -5.207 4.432 -3.322 1.00 0.00 O ATOM 601 CB ILE A 683 -5.851 1.657 -3.290 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.166 0.250 -2.780 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.610 1.641 -4.792 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.138 -0.783 -3.185 1.00 0.00 C ATOM 0 H ILE A 683 -5.664 2.819 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.771 1.572 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.710 2.297 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.237 0.274 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.143 -0.054 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.486 1.233 -5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.430 2.657 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.741 1.021 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.425 -1.757 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.083 -0.835 -4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.163 -0.502 -2.786 1.00 0.00 H new ATOM 616 N LYS A 684 -3.031 3.867 -3.370 1.00 0.00 N ATOM 617 CA LYS A 684 -2.596 5.149 -3.911 1.00 0.00 C ATOM 618 C LYS A 684 -3.345 5.478 -5.199 1.00 0.00 C ATOM 619 O LYS A 684 -3.612 4.596 -6.015 1.00 0.00 O ATOM 620 CB LYS A 684 -1.089 5.130 -4.176 1.00 0.00 C ATOM 621 CG LYS A 684 -0.255 4.901 -2.928 1.00 0.00 C ATOM 622 CD LYS A 684 -0.239 6.130 -2.034 1.00 0.00 C ATOM 623 CE LYS A 684 0.784 5.993 -0.917 1.00 0.00 C ATOM 624 NZ LYS A 684 2.170 6.247 -1.400 1.00 0.00 N ATOM 0 H LYS A 684 -2.276 3.201 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.819 5.920 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -0.866 4.347 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.796 6.077 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.654 4.052 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.765 4.644 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 684 -0.011 7.013 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.229 6.282 -1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 684 0.544 6.693 -0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.725 4.991 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 2.836 6.161 -0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 2.415 5.552 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 2.229 7.206 -1.798 1.00 0.00 H new ATOM 724 N LYS A 691 -4.274 3.790 -9.640 1.00 0.00 N ATOM 725 CA LYS A 691 -3.055 3.474 -10.376 1.00 0.00 C ATOM 726 C LYS A 691 -2.564 2.070 -10.038 1.00 0.00 C ATOM 727 O LYS A 691 -1.365 1.796 -10.071 1.00 0.00 O ATOM 728 CB LYS A 691 -1.964 4.498 -10.057 1.00 0.00 C ATOM 729 CG LYS A 691 -2.316 5.914 -10.478 1.00 0.00 C ATOM 730 CD LYS A 691 -2.076 6.130 -11.963 1.00 0.00 C ATOM 731 CE LYS A 691 -0.684 6.683 -12.228 1.00 0.00 C ATOM 732 NZ LYS A 691 0.306 5.598 -12.474 1.00 0.00 N ATOM 0 HA LYS A 691 -3.282 3.513 -11.441 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.768 4.485 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -1.041 4.199 -10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -3.362 6.115 -10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.719 6.624 -9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -2.201 5.186 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -2.823 6.819 -12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -0.716 7.348 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -0.363 7.282 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 1.132 5.988 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 0.609 5.192 -11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -0.130 4.855 -13.057 1.00 0.00 H new ATOM 746 N GLY A 692 -3.500 1.182 -9.714 1.00 0.00 N ATOM 747 CA GLY A 692 -3.142 -0.183 -9.376 1.00 0.00 C ATOM 748 C GLY A 692 -1.875 -0.262 -8.548 1.00 0.00 C ATOM 749 O GLY A 692 -1.053 -1.158 -8.743 1.00 0.00 O ATOM 0 H GLY A 692 -4.499 1.384 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.962 -0.645 -8.825 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -3.010 -0.758 -10.292 1.00 0.00 H new ATOM 753 N CYS A 693 -1.717 0.677 -7.621 1.00 0.00 N ATOM 754 CA CYS A 693 -0.539 0.711 -6.761 1.00 0.00 C ATOM 755 C CYS A 693 -0.926 1.037 -5.323 1.00 0.00 C ATOM 756 O CYS A 693 -1.780 1.887 -5.076 1.00 0.00 O ATOM 757 CB CYS A 693 0.466 1.741 -7.279 1.00 0.00 C ATOM 758 SG CYS A 693 -0.123 3.449 -7.205 1.00 0.00 S ATOM 0 H CYS A 693 -2.389 1.424 -7.446 1.00 0.00 H new ATOM 0 HA CYS A 693 -0.077 -0.276 -6.778 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.385 1.660 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 693 0.718 1.499 -8.312 1.00 0.00 H new ATOM 0 HG CYS A 693 0.797 4.245 -7.662 1.00 0.00 H new ATOM 764 N GLY A 694 -0.290 0.354 -4.375 1.00 0.00 N ATOM 765 CA GLY A 694 -0.583 0.585 -2.972 1.00 0.00 C ATOM 766 C GLY A 694 0.543 0.133 -2.064 1.00 0.00 C ATOM 767 O GLY A 694 1.612 -0.257 -2.534 1.00 0.00 O ATOM 0 H GLY A 694 0.422 -0.354 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -0.770 1.647 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.497 0.056 -2.703 1.00 0.00 H new ATOM 771 N VAL A 695 0.305 0.187 -0.757 1.00 0.00 N ATOM 772 CA VAL A 695 1.308 -0.219 0.221 1.00 0.00 C ATOM 773 C VAL A 695 0.697 -1.109 1.297 1.00 0.00 C ATOM 774 O VAL A 695 -0.523 -1.172 1.447 1.00 0.00 O ATOM 775 CB VAL A 695 1.965 1.002 0.892 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.777 1.795 -0.121 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.910 1.881 1.547 1.00 0.00 C ATOM 0 H VAL A 695 -0.574 0.508 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 695 2.070 -0.779 -0.321 1.00 0.00 H new ATOM 0 HB VAL A 695 2.643 0.648 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 695 3.234 2.654 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.557 1.159 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 695 2.123 2.141 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 695 1.391 2.739 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 695 0.206 2.229 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 695 0.376 1.306 2.303 1.00 0.00 H new ATOM 787 N VAL A 696 1.555 -1.797 2.045 1.00 0.00 N ATOM 788 CA VAL A 696 1.100 -2.684 3.109 1.00 0.00 C ATOM 789 C VAL A 696 2.116 -2.745 4.244 1.00 0.00 C ATOM 790 O VAL A 696 3.248 -3.193 4.056 1.00 0.00 O ATOM 791 CB VAL A 696 0.847 -4.109 2.583 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.494 -5.046 3.728 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.252 -4.101 1.531 1.00 0.00 C ATOM 0 H VAL A 696 2.568 -1.757 1.933 1.00 0.00 H new ATOM 0 HA VAL A 696 0.163 -2.273 3.485 1.00 0.00 H new ATOM 0 HB VAL A 696 1.762 -4.473 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.319 -6.048 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.317 -5.074 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.407 -4.688 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.418 -5.116 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.173 -3.717 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.046 -3.464 0.698 1.00 0.00 H new ATOM 803 N LYS A 697 1.705 -2.293 5.424 1.00 0.00 N ATOM 804 CA LYS A 697 2.578 -2.298 6.592 1.00 0.00 C ATOM 805 C LYS A 697 2.248 -3.468 7.513 1.00 0.00 C ATOM 806 O LYS A 697 1.080 -3.801 7.717 1.00 0.00 O ATOM 807 CB LYS A 697 2.446 -0.980 7.358 1.00 0.00 C ATOM 808 CG LYS A 697 3.697 -0.598 8.130 1.00 0.00 C ATOM 809 CD LYS A 697 3.365 0.248 9.348 1.00 0.00 C ATOM 810 CE LYS A 697 4.578 0.434 10.246 1.00 0.00 C ATOM 811 NZ LYS A 697 5.504 1.474 9.718 1.00 0.00 N ATOM 0 H LYS A 697 0.772 -1.918 5.597 1.00 0.00 H new ATOM 0 HA LYS A 697 3.606 -2.409 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.206 -0.183 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.609 -1.055 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.221 -1.500 8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.374 -0.047 7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 697 2.997 1.222 9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.562 -0.225 9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 697 4.250 0.714 11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 697 5.110 -0.513 10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 6.318 1.571 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 5.838 1.195 8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 5.004 2.384 9.653 1.00 0.00 H new ATOM 825 N PHE A 698 3.283 -4.089 8.069 1.00 0.00 N ATOM 826 CA PHE A 698 3.103 -5.222 8.969 1.00 0.00 C ATOM 827 C PHE A 698 3.608 -4.889 10.370 1.00 0.00 C ATOM 828 O PHE A 698 4.190 -3.829 10.595 1.00 0.00 O ATOM 829 CB PHE A 698 3.837 -6.451 8.429 1.00 0.00 C ATOM 830 CG PHE A 698 3.259 -6.979 7.147 1.00 0.00 C ATOM 831 CD1 PHE A 698 2.252 -7.930 7.165 1.00 0.00 C ATOM 832 CD2 PHE A 698 3.723 -6.523 5.924 1.00 0.00 C ATOM 833 CE1 PHE A 698 1.720 -8.418 5.986 1.00 0.00 C ATOM 834 CE2 PHE A 698 3.194 -7.006 4.742 1.00 0.00 C ATOM 835 CZ PHE A 698 2.190 -7.954 4.773 1.00 0.00 C ATOM 0 H PHE A 698 4.256 -3.826 7.912 1.00 0.00 H new ATOM 0 HA PHE A 698 2.037 -5.441 9.028 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.885 -6.197 8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.812 -7.239 9.181 1.00 0.00 H new ATOM 0 HD1 PHE A 698 1.878 -8.294 8.111 1.00 0.00 H new ATOM 0 HD2 PHE A 698 4.507 -5.781 5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 698 0.937 -9.162 6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 698 3.565 -6.643 3.795 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.773 -8.332 3.851 1.00 0.00 H new ATOM 845 N GLU A 699 3.378 -5.803 11.308 1.00 0.00 N ATOM 846 CA GLU A 699 3.808 -5.606 12.687 1.00 0.00 C ATOM 847 C GLU A 699 5.321 -5.761 12.813 1.00 0.00 C ATOM 848 O GLU A 699 5.994 -4.923 13.413 1.00 0.00 O ATOM 849 CB GLU A 699 3.104 -6.601 13.612 1.00 0.00 C ATOM 850 CG GLU A 699 1.588 -6.502 13.571 1.00 0.00 C ATOM 851 CD GLU A 699 0.918 -7.372 14.616 1.00 0.00 C ATOM 852 OE1 GLU A 699 1.077 -8.609 14.547 1.00 0.00 O ATOM 853 OE2 GLU A 699 0.236 -6.817 15.503 1.00 0.00 O ATOM 0 H GLU A 699 2.897 -6.686 11.138 1.00 0.00 H new ATOM 0 HA GLU A 699 3.538 -4.592 12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.401 -7.613 13.337 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.443 -6.436 14.635 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.291 -5.464 13.723 1.00 0.00 H new ATOM 0 HG3 GLU A 699 1.235 -6.793 12.581 1.00 0.00 H new ATOM 860 N SER A 700 5.849 -6.839 12.242 1.00 0.00 N ATOM 861 CA SER A 700 7.281 -7.108 12.294 1.00 0.00 C ATOM 862 C SER A 700 7.921 -6.907 10.923 1.00 0.00 C ATOM 863 O SER A 700 7.295 -7.107 9.882 1.00 0.00 O ATOM 864 CB SER A 700 7.537 -8.534 12.785 1.00 0.00 C ATOM 865 OG SER A 700 6.818 -8.800 13.976 1.00 0.00 O ATOM 0 H SER A 700 5.306 -7.540 11.738 1.00 0.00 H new ATOM 0 HA SER A 700 7.733 -6.405 12.994 1.00 0.00 H new ATOM 0 HB2 SER A 700 7.244 -9.246 12.013 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.603 -8.675 12.961 1.00 0.00 H new ATOM 0 HG SER A 700 6.997 -9.718 14.268 1.00 0.00 H new ATOM 871 N PRO A 701 9.199 -6.500 10.922 1.00 0.00 N ATOM 872 CA PRO A 701 9.953 -6.263 9.687 1.00 0.00 C ATOM 873 C PRO A 701 10.261 -7.556 8.939 1.00 0.00 C ATOM 874 O PRO A 701 10.776 -7.529 7.822 1.00 0.00 O ATOM 875 CB PRO A 701 11.247 -5.611 10.182 1.00 0.00 C ATOM 876 CG PRO A 701 11.402 -6.090 11.584 1.00 0.00 C ATOM 877 CD PRO A 701 10.007 -6.241 12.126 1.00 0.00 C ATOM 0 HA PRO A 701 9.394 -5.651 8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 701 12.098 -5.904 9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.183 -4.524 10.140 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.938 -7.039 11.615 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.977 -5.379 12.178 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.940 -7.062 12.839 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.678 -5.341 12.645 1.00 0.00 H new ATOM 885 N GLU A 702 9.942 -8.686 9.563 1.00 0.00 N ATOM 886 CA GLU A 702 10.186 -9.988 8.954 1.00 0.00 C ATOM 887 C GLU A 702 9.022 -10.395 8.055 1.00 0.00 C ATOM 888 O GLU A 702 9.222 -10.837 6.924 1.00 0.00 O ATOM 889 CB GLU A 702 10.403 -11.049 10.035 1.00 0.00 C ATOM 890 CG GLU A 702 9.972 -12.444 9.616 1.00 0.00 C ATOM 891 CD GLU A 702 10.482 -12.823 8.239 1.00 0.00 C ATOM 892 OE1 GLU A 702 11.467 -12.207 7.781 1.00 0.00 O ATOM 893 OE2 GLU A 702 9.896 -13.736 7.620 1.00 0.00 O ATOM 0 H GLU A 702 9.515 -8.726 10.488 1.00 0.00 H new ATOM 0 HA GLU A 702 11.086 -9.911 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 702 11.459 -11.070 10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 702 9.851 -10.761 10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 702 10.336 -13.167 10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.884 -12.502 9.625 1.00 0.00 H new ATOM 900 N VAL A 703 7.804 -10.242 8.567 1.00 0.00 N ATOM 901 CA VAL A 703 6.608 -10.592 7.811 1.00 0.00 C ATOM 902 C VAL A 703 6.625 -9.954 6.427 1.00 0.00 C ATOM 903 O VAL A 703 6.273 -10.590 5.434 1.00 0.00 O ATOM 904 CB VAL A 703 5.329 -10.154 8.550 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.100 -10.421 7.695 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.220 -10.862 9.891 1.00 0.00 C ATOM 0 H VAL A 703 7.620 -9.878 9.502 1.00 0.00 H new ATOM 0 HA VAL A 703 6.606 -11.677 7.707 1.00 0.00 H new ATOM 0 HB VAL A 703 5.387 -9.081 8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.207 -10.105 8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.178 -9.863 6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.034 -11.487 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.311 -10.541 10.399 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.185 -11.940 9.732 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.086 -10.614 10.505 1.00 0.00 H new ATOM 916 N ALA A 704 7.040 -8.692 6.368 1.00 0.00 N ATOM 917 CA ALA A 704 7.106 -7.968 5.105 1.00 0.00 C ATOM 918 C ALA A 704 7.983 -8.703 4.096 1.00 0.00 C ATOM 919 O ALA A 704 7.525 -9.071 3.015 1.00 0.00 O ATOM 920 CB ALA A 704 7.629 -6.557 5.332 1.00 0.00 C ATOM 0 H ALA A 704 7.335 -8.151 7.180 1.00 0.00 H new ATOM 0 HA ALA A 704 6.098 -7.909 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.673 -6.028 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.962 -6.027 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.627 -6.605 5.767 1.00 0.00 H new ATOM 926 N GLU A 705 9.245 -8.911 4.458 1.00 0.00 N ATOM 927 CA GLU A 705 10.186 -9.601 3.582 1.00 0.00 C ATOM 928 C GLU A 705 9.570 -10.880 3.022 1.00 0.00 C ATOM 929 O GLU A 705 9.778 -11.223 1.858 1.00 0.00 O ATOM 930 CB GLU A 705 11.474 -9.931 4.340 1.00 0.00 C ATOM 931 CG GLU A 705 12.423 -8.751 4.469 1.00 0.00 C ATOM 932 CD GLU A 705 13.866 -9.181 4.651 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.456 -9.701 3.681 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.405 -8.997 5.762 1.00 0.00 O ATOM 0 H GLU A 705 9.639 -8.612 5.350 1.00 0.00 H new ATOM 0 HA GLU A 705 10.422 -8.938 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.217 -10.291 5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 705 11.988 -10.746 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.343 -8.126 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.121 -8.137 5.318 1.00 0.00 H new ATOM 941 N ARG A 706 8.812 -11.580 3.859 1.00 0.00 N ATOM 942 CA ARG A 706 8.167 -12.822 3.449 1.00 0.00 C ATOM 943 C ARG A 706 7.033 -12.546 2.466 1.00 0.00 C ATOM 944 O ARG A 706 6.983 -13.126 1.382 1.00 0.00 O ATOM 945 CB ARG A 706 7.629 -13.569 4.670 1.00 0.00 C ATOM 946 CG ARG A 706 7.357 -15.042 4.411 1.00 0.00 C ATOM 947 CD ARG A 706 6.602 -15.681 5.566 1.00 0.00 C ATOM 948 NE ARG A 706 6.916 -17.100 5.709 1.00 0.00 N ATOM 949 CZ ARG A 706 6.585 -18.020 4.810 1.00 0.00 C ATOM 950 NH1 ARG A 706 5.933 -17.671 3.709 1.00 0.00 N ATOM 951 NH2 ARG A 706 6.907 -19.291 5.010 1.00 0.00 N ATOM 0 H ARG A 706 8.629 -11.309 4.825 1.00 0.00 H new ATOM 0 HA ARG A 706 8.912 -13.443 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.346 -13.479 5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.707 -13.091 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.779 -15.150 3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.301 -15.566 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 706 6.848 -15.161 6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.530 -15.561 5.408 1.00 0.00 H new ATOM 0 HE ARG A 706 7.417 -17.401 6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 706 5.685 -16.694 3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 706 5.680 -18.379 3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 706 7.409 -19.563 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 706 6.652 -19.997 4.319 1.00 0.00 H new ATOM 965 N ALA A 707 6.123 -11.658 2.854 1.00 0.00 N ATOM 966 CA ALA A 707 4.990 -11.305 2.008 1.00 0.00 C ATOM 967 C ALA A 707 5.455 -10.868 0.623 1.00 0.00 C ATOM 968 O ALA A 707 4.861 -11.243 -0.389 1.00 0.00 O ATOM 969 CB ALA A 707 4.165 -10.206 2.662 1.00 0.00 C ATOM 0 H ALA A 707 6.149 -11.170 3.749 1.00 0.00 H new ATOM 0 HA ALA A 707 4.366 -12.191 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.322 -9.952 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.794 -10.554 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.787 -9.323 2.810 1.00 0.00 H new ATOM 975 N CYS A 708 6.519 -10.073 0.585 1.00 0.00 N ATOM 976 CA CYS A 708 7.062 -9.583 -0.677 1.00 0.00 C ATOM 977 C CYS A 708 7.206 -10.719 -1.684 1.00 0.00 C ATOM 978 O CYS A 708 6.862 -10.569 -2.857 1.00 0.00 O ATOM 979 CB CYS A 708 8.418 -8.915 -0.446 1.00 0.00 C ATOM 980 SG CYS A 708 9.463 -8.836 -1.920 1.00 0.00 S ATOM 0 H CYS A 708 7.022 -9.754 1.413 1.00 0.00 H new ATOM 0 HA CYS A 708 6.367 -8.848 -1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.254 -7.903 -0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 708 8.950 -9.458 0.335 1.00 0.00 H new ATOM 0 HG CYS A 708 8.793 -8.304 -2.899 1.00 0.00 H new ATOM 986 N ARG A 709 7.718 -11.854 -1.220 1.00 0.00 N ATOM 987 CA ARG A 709 7.910 -13.014 -2.081 1.00 0.00 C ATOM 988 C ARG A 709 6.610 -13.798 -2.236 1.00 0.00 C ATOM 989 O ARG A 709 6.236 -14.186 -3.342 1.00 0.00 O ATOM 990 CB ARG A 709 9.001 -13.923 -1.512 1.00 0.00 C ATOM 991 CG ARG A 709 10.393 -13.605 -2.034 1.00 0.00 C ATOM 992 CD ARG A 709 11.461 -13.911 -0.995 1.00 0.00 C ATOM 993 NE ARG A 709 12.730 -14.290 -1.610 1.00 0.00 N ATOM 994 CZ ARG A 709 12.973 -15.497 -2.109 1.00 0.00 C ATOM 995 NH1 ARG A 709 12.038 -16.437 -2.066 1.00 0.00 N ATOM 996 NH2 ARG A 709 14.153 -15.766 -2.653 1.00 0.00 N ATOM 0 H ARG A 709 8.007 -11.995 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 709 8.219 -12.658 -3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.002 -13.839 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 709 8.760 -14.959 -1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 709 10.585 -14.185 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.446 -12.553 -2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 709 11.612 -13.037 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.117 -14.718 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 709 13.470 -13.590 -1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 709 11.130 -16.234 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 709 12.228 -17.363 -2.450 1.00 0.00 H new ATOM 0 HH21 ARG A 709 14.874 -15.046 -2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 709 14.339 -16.693 -3.036 1.00 0.00 H new ATOM 1010 N MET A 710 5.926 -14.026 -1.119 1.00 0.00 N ATOM 1011 CA MET A 710 4.668 -14.763 -1.132 1.00 0.00 C ATOM 1012 C MET A 710 3.658 -14.098 -2.062 1.00 0.00 C ATOM 1013 O MET A 710 2.669 -14.713 -2.461 1.00 0.00 O ATOM 1014 CB MET A 710 4.092 -14.854 0.283 1.00 0.00 C ATOM 1015 CG MET A 710 4.626 -16.033 1.081 1.00 0.00 C ATOM 1016 SD MET A 710 3.437 -16.650 2.288 1.00 0.00 S ATOM 1017 CE MET A 710 3.712 -15.515 3.646 1.00 0.00 C ATOM 0 H MET A 710 6.222 -13.711 -0.195 1.00 0.00 H new ATOM 0 HA MET A 710 4.868 -15.769 -1.501 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.317 -13.932 0.818 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.006 -14.930 0.221 1.00 0.00 H new ATOM 0 HG2 MET A 710 4.894 -16.838 0.397 1.00 0.00 H new ATOM 0 HG3 MET A 710 5.539 -15.735 1.596 1.00 0.00 H new ATOM 0 HE1 MET A 710 4.044 -16.071 4.523 1.00 0.00 H new ATOM 0 HE2 MET A 710 4.476 -14.790 3.365 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.784 -14.993 3.878 1.00 0.00 H new ATOM 1027 N MET A 711 3.914 -12.840 -2.404 1.00 0.00 N ATOM 1028 CA MET A 711 3.027 -12.093 -3.289 1.00 0.00 C ATOM 1029 C MET A 711 3.719 -11.775 -4.610 1.00 0.00 C ATOM 1030 O MET A 711 3.084 -11.749 -5.663 1.00 0.00 O ATOM 1031 CB MET A 711 2.571 -10.798 -2.614 1.00 0.00 C ATOM 1032 CG MET A 711 1.761 -11.025 -1.348 1.00 0.00 C ATOM 1033 SD MET A 711 0.439 -12.230 -1.576 1.00 0.00 S ATOM 1034 CE MET A 711 -0.994 -11.247 -1.143 1.00 0.00 C ATOM 0 H MET A 711 4.728 -12.316 -2.082 1.00 0.00 H new ATOM 0 HA MET A 711 2.155 -12.713 -3.496 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.447 -10.196 -2.372 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.973 -10.221 -3.320 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.424 -11.365 -0.553 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.332 -10.078 -1.021 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.888 -11.697 -1.575 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.095 -11.209 -0.058 1.00 0.00 H new ATOM 0 HE3 MET A 711 -0.873 -10.236 -1.532 1.00 0.00 H new ATOM 1044 N ASN A 712 5.024 -11.533 -4.547 1.00 0.00 N ATOM 1045 CA ASN A 712 5.802 -11.216 -5.739 1.00 0.00 C ATOM 1046 C ASN A 712 5.282 -11.987 -6.948 1.00 0.00 C ATOM 1047 O ASN A 712 5.318 -13.216 -6.976 1.00 0.00 O ATOM 1048 CB ASN A 712 7.280 -11.540 -5.510 1.00 0.00 C ATOM 1049 CG ASN A 712 8.039 -11.724 -6.810 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.851 -10.969 -7.764 1.00 0.00 O ATOM 1051 ND2 ASN A 712 8.903 -12.732 -6.853 1.00 0.00 N ATOM 0 H ASN A 712 5.565 -11.550 -3.683 1.00 0.00 H new ATOM 0 HA ASN A 712 5.698 -10.149 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.740 -10.737 -4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.362 -12.448 -4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 712 9.443 -12.905 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.027 -13.333 -6.038 1.00 0.00 H new ATOM 1058 N GLY A 713 4.800 -11.255 -7.948 1.00 0.00 N ATOM 1059 CA GLY A 713 4.280 -11.886 -9.147 1.00 0.00 C ATOM 1060 C GLY A 713 2.946 -12.566 -8.912 1.00 0.00 C ATOM 1061 O GLY A 713 2.639 -13.579 -9.540 1.00 0.00 O ATOM 0 H GLY A 713 4.760 -10.236 -7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.169 -11.136 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 713 5.000 -12.620 -9.509 1.00 0.00 H new ATOM 1065 N MET A 714 2.151 -12.009 -8.003 1.00 0.00 N ATOM 1066 CA MET A 714 0.843 -12.570 -7.687 1.00 0.00 C ATOM 1067 C MET A 714 -0.155 -12.284 -8.804 1.00 0.00 C ATOM 1068 O MET A 714 -0.822 -11.249 -8.806 1.00 0.00 O ATOM 1069 CB MET A 714 0.325 -11.997 -6.366 1.00 0.00 C ATOM 1070 CG MET A 714 -1.101 -12.412 -6.041 1.00 0.00 C ATOM 1071 SD MET A 714 -1.513 -12.179 -4.301 1.00 0.00 S ATOM 1072 CE MET A 714 -2.300 -10.571 -4.352 1.00 0.00 C ATOM 0 H MET A 714 2.390 -11.171 -7.473 1.00 0.00 H new ATOM 0 HA MET A 714 0.952 -13.650 -7.589 1.00 0.00 H new ATOM 0 HB2 MET A 714 0.982 -12.319 -5.558 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.378 -10.909 -6.406 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.792 -11.834 -6.655 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.240 -13.460 -6.306 1.00 0.00 H new ATOM 0 HE1 MET A 714 -2.355 -10.161 -3.344 1.00 0.00 H new ATOM 0 HE2 MET A 714 -1.718 -9.901 -4.985 1.00 0.00 H new ATOM 0 HE3 MET A 714 -3.306 -10.671 -4.758 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.254 -13.209 -9.754 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.171 -13.057 -10.877 1.00 0.00 C ATOM 1084 C LYS A 715 -2.576 -12.716 -10.390 1.00 0.00 C ATOM 1085 O LYS A 715 -3.330 -13.596 -9.972 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.206 -14.341 -11.710 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.206 -14.352 -12.853 1.00 0.00 C ATOM 1088 CD LYS A 715 -0.743 -13.619 -14.071 1.00 0.00 C ATOM 1089 CE LYS A 715 -1.805 -14.438 -14.790 1.00 0.00 C ATOM 1090 NZ LYS A 715 -1.286 -15.766 -15.219 1.00 0.00 N ATOM 0 H LYS A 715 0.290 -14.072 -9.768 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.812 -12.237 -11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.010 -15.192 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.209 -14.474 -12.115 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.724 -13.886 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 715 0.030 -15.382 -13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -1.165 -12.662 -13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 715 0.076 -13.401 -14.756 1.00 0.00 H new ATOM 0 HE2 LYS A 715 -2.662 -14.579 -14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -2.159 -13.888 -15.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -1.871 -16.132 -15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -0.302 -15.667 -15.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -1.322 -16.428 -14.418 1.00 0.00 H new ATOM 1104 N LEU A 716 -2.922 -11.435 -10.448 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.238 -10.978 -10.014 1.00 0.00 C ATOM 1106 C LEU A 716 -5.167 -10.781 -11.208 1.00 0.00 C ATOM 1107 O LEU A 716 -4.906 -9.952 -12.080 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.113 -9.671 -9.230 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.676 -9.803 -7.771 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.258 -8.451 -7.214 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.794 -10.404 -6.932 1.00 0.00 C ATOM 0 H LEU A 716 -2.310 -10.694 -10.791 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.666 -11.743 -9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.399 -9.028 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.076 -9.162 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.816 -10.472 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.950 -8.565 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.425 -8.059 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.098 -7.759 -7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.465 -10.491 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.672 -9.760 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -5.046 -11.392 -7.316 1.00 0.00 H new ATOM 1123 N SER A 717 -6.253 -11.548 -11.240 1.00 0.00 N ATOM 1124 CA SER A 717 -7.220 -11.459 -12.327 1.00 0.00 C ATOM 1125 C SER A 717 -6.514 -11.309 -13.671 1.00 0.00 C ATOM 1126 O SER A 717 -6.979 -10.589 -14.553 1.00 0.00 O ATOM 1127 CB SER A 717 -8.166 -10.278 -12.101 1.00 0.00 C ATOM 1128 OG SER A 717 -9.421 -10.504 -12.718 1.00 0.00 O ATOM 0 H SER A 717 -6.485 -12.238 -10.525 1.00 0.00 H new ATOM 0 HA SER A 717 -7.799 -12.382 -12.341 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.306 -10.120 -11.032 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.719 -9.368 -12.502 1.00 0.00 H new ATOM 0 HG SER A 717 -10.008 -9.736 -12.557 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.386 -11.997 -13.820 1.00 0.00 N ATOM 1135 CA GLY A 718 -4.632 -11.928 -15.058 1.00 0.00 C ATOM 1136 C GLY A 718 -3.704 -10.731 -15.106 1.00 0.00 C ATOM 1137 O GLY A 718 -3.353 -10.252 -16.185 1.00 0.00 O ATOM 0 H GLY A 718 -4.981 -12.601 -13.105 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.048 -12.841 -15.176 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.324 -11.881 -15.899 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.305 -10.246 -13.935 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.414 -9.095 -13.848 1.00 0.00 C ATOM 1143 C ARG A 719 -1.363 -9.303 -12.761 1.00 0.00 C ATOM 1144 O ARG A 719 -1.665 -9.228 -11.571 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.215 -7.823 -13.561 1.00 0.00 C ATOM 1146 CG ARG A 719 -3.980 -7.301 -14.766 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.014 -6.262 -14.362 1.00 0.00 C ATOM 1148 NE ARG A 719 -5.258 -5.289 -15.423 1.00 0.00 N ATOM 1149 CZ ARG A 719 -5.897 -5.577 -16.552 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -6.355 -6.803 -16.764 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -6.079 -4.638 -17.471 1.00 0.00 N ATOM 0 H ARG A 719 -3.585 -10.632 -13.033 1.00 0.00 H new ATOM 0 HA ARG A 719 -1.906 -8.987 -14.806 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.919 -8.021 -12.752 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.535 -7.047 -13.209 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -3.282 -6.863 -15.480 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.474 -8.130 -15.272 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -5.949 -6.761 -14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -4.675 -5.743 -13.466 1.00 0.00 H new ATOM 0 HE ARG A 719 -4.919 -4.336 -15.290 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -6.217 -7.528 -16.060 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -6.845 -7.021 -17.631 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -5.728 -3.694 -17.312 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -6.570 -4.860 -18.337 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.129 -9.564 -13.181 1.00 0.00 N ATOM 1166 CA GLU A 720 0.966 -9.784 -12.244 1.00 0.00 C ATOM 1167 C GLU A 720 1.382 -8.476 -11.577 1.00 0.00 C ATOM 1168 O GLU A 720 1.649 -7.481 -12.251 1.00 0.00 O ATOM 1169 CB GLU A 720 2.165 -10.407 -12.962 1.00 0.00 C ATOM 1170 CG GLU A 720 1.968 -11.871 -13.317 1.00 0.00 C ATOM 1171 CD GLU A 720 2.928 -12.345 -14.390 1.00 0.00 C ATOM 1172 OE1 GLU A 720 4.149 -12.137 -14.227 1.00 0.00 O ATOM 1173 OE2 GLU A 720 2.460 -12.925 -15.392 1.00 0.00 O ATOM 0 H GLU A 720 0.137 -9.628 -14.164 1.00 0.00 H new ATOM 0 HA GLU A 720 0.617 -10.471 -11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.364 -9.844 -13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.047 -10.311 -12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.100 -12.479 -12.422 1.00 0.00 H new ATOM 0 HG3 GLU A 720 0.944 -12.024 -13.658 1.00 0.00 H new ATOM 1180 N ILE A 721 1.434 -8.486 -10.249 1.00 0.00 N ATOM 1181 CA ILE A 721 1.817 -7.301 -9.491 1.00 0.00 C ATOM 1182 C ILE A 721 3.288 -7.357 -9.091 1.00 0.00 C ATOM 1183 O ILE A 721 3.894 -8.428 -9.064 1.00 0.00 O ATOM 1184 CB ILE A 721 0.957 -7.141 -8.224 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.206 -8.305 -7.262 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.517 -7.056 -8.591 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.576 -8.109 -5.900 1.00 0.00 C ATOM 0 H ILE A 721 1.216 -9.301 -9.676 1.00 0.00 H new ATOM 0 HA ILE A 721 1.652 -6.442 -10.142 1.00 0.00 H new ATOM 0 HB ILE A 721 1.241 -6.214 -7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.816 -9.222 -7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.281 -8.442 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.112 -6.943 -7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.681 -6.197 -9.242 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.816 -7.967 -9.110 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.793 -8.972 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 721 0.984 -7.211 -5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.503 -8.003 -6.010 1.00 0.00 H new ATOM 1199 N ASP A 722 3.854 -6.197 -8.778 1.00 0.00 N ATOM 1200 CA ASP A 722 5.254 -6.114 -8.376 1.00 0.00 C ATOM 1201 C ASP A 722 5.374 -5.739 -6.902 1.00 0.00 C ATOM 1202 O ASP A 722 5.264 -4.568 -6.537 1.00 0.00 O ATOM 1203 CB ASP A 722 5.994 -5.089 -9.237 1.00 0.00 C ATOM 1204 CG ASP A 722 6.525 -5.691 -10.524 1.00 0.00 C ATOM 1205 OD1 ASP A 722 6.950 -6.865 -10.499 1.00 0.00 O ATOM 1206 OD2 ASP A 722 6.515 -4.987 -11.555 1.00 0.00 O ATOM 0 H ASP A 722 3.366 -5.302 -8.795 1.00 0.00 H new ATOM 0 HA ASP A 722 5.707 -7.094 -8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.321 -4.265 -9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 722 6.823 -4.670 -8.666 1.00 0.00 H new ATOM 1211 N VAL A 723 5.599 -6.741 -6.058 1.00 0.00 N ATOM 1212 CA VAL A 723 5.734 -6.517 -4.624 1.00 0.00 C ATOM 1213 C VAL A 723 7.200 -6.472 -4.210 1.00 0.00 C ATOM 1214 O VAL A 723 7.997 -7.317 -4.619 1.00 0.00 O ATOM 1215 CB VAL A 723 5.017 -7.614 -3.815 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.926 -7.223 -2.348 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.635 -7.883 -4.390 1.00 0.00 C ATOM 0 H VAL A 723 5.692 -7.716 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 723 5.269 -5.555 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 723 5.600 -8.532 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.416 -8.010 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.929 -7.086 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.367 -6.292 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.143 -8.661 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 723 3.041 -6.970 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.729 -8.211 -5.425 1.00 0.00 H new ATOM 1227 N ARG A 724 7.550 -5.481 -3.397 1.00 0.00 N ATOM 1228 CA ARG A 724 8.922 -5.325 -2.928 1.00 0.00 C ATOM 1229 C ARG A 724 8.964 -4.527 -1.628 1.00 0.00 C ATOM 1230 O ARG A 724 7.940 -4.030 -1.160 1.00 0.00 O ATOM 1231 CB ARG A 724 9.771 -4.629 -3.993 1.00 0.00 C ATOM 1232 CG ARG A 724 10.049 -5.495 -5.211 1.00 0.00 C ATOM 1233 CD ARG A 724 11.055 -4.839 -6.144 1.00 0.00 C ATOM 1234 NE ARG A 724 10.568 -3.565 -6.665 1.00 0.00 N ATOM 1235 CZ ARG A 724 11.104 -2.945 -7.711 1.00 0.00 C ATOM 1236 NH1 ARG A 724 12.139 -3.480 -8.343 1.00 0.00 N ATOM 1237 NH2 ARG A 724 10.604 -1.788 -8.126 1.00 0.00 N ATOM 0 H ARG A 724 6.903 -4.774 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 724 9.330 -6.318 -2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 724 9.263 -3.719 -4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.719 -4.326 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 724 10.428 -6.465 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 724 9.119 -5.678 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 724 11.992 -4.678 -5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 724 11.271 -5.511 -6.974 1.00 0.00 H new ATOM 0 HE ARG A 724 9.773 -3.127 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 724 12.526 -4.369 -8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 724 12.549 -3.002 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 724 9.807 -1.374 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 724 11.016 -1.313 -8.929 1.00 0.00 H new ATOM 1251 N ILE A 725 10.155 -4.411 -1.050 1.00 0.00 N ATOM 1252 CA ILE A 725 10.331 -3.674 0.195 1.00 0.00 C ATOM 1253 C ILE A 725 10.328 -2.169 -0.052 1.00 0.00 C ATOM 1254 O ILE A 725 10.908 -1.688 -1.026 1.00 0.00 O ATOM 1255 CB ILE A 725 11.643 -4.065 0.900 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.638 -5.556 1.245 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.840 -3.227 2.155 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.678 -5.915 2.357 1.00 0.00 C ATOM 0 H ILE A 725 11.012 -4.818 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 725 9.491 -3.936 0.838 1.00 0.00 H new ATOM 0 HB ILE A 725 12.474 -3.871 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.378 -6.126 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.645 -5.857 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.772 -3.515 2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.883 -2.172 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 725 11.007 -3.393 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.727 -6.987 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.950 -5.372 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.664 -5.645 2.063 1.00 0.00 H new ATOM 1270 N ASP A 726 9.674 -1.430 0.837 1.00 0.00 N ATOM 1271 CA ASP A 726 9.598 0.021 0.718 1.00 0.00 C ATOM 1272 C ASP A 726 10.750 0.688 1.463 1.00 0.00 C ATOM 1273 O ASP A 726 10.710 0.835 2.685 1.00 0.00 O ATOM 1274 CB ASP A 726 8.261 0.530 1.260 1.00 0.00 C ATOM 1275 CG ASP A 726 7.940 1.933 0.785 1.00 0.00 C ATOM 1276 OD1 ASP A 726 8.689 2.866 1.141 1.00 0.00 O ATOM 1277 OD2 ASP A 726 6.938 2.098 0.057 1.00 0.00 O ATOM 0 H ASP A 726 9.189 -1.812 1.649 1.00 0.00 H new ATOM 0 HA ASP A 726 9.674 0.279 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.465 -0.147 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.285 0.515 2.350 1.00 0.00 H new