USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=18 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 147:sc= -3.19 (180deg=-2.16!) USER MOD Set 1.2: A 714 MET CE :methyl -159:sc= -1.07 (180deg=-2.35) USER MOD Set 2.1: A 675 CYS SG : rot 160:sc= -0.992 USER MOD Set 2.2: A 710 MET CE :methyl -122:sc= 0 (180deg=-0.00968) USER MOD Set 3.1: A 664 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 667 MET CE :methyl 169:sc= -0.823 (180deg=-1.07) USER MOD Single : A 652 CYS SG : rot -22:sc= -0.146 USER MOD Single : A 653 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 658 ASN :FLIP amide:sc= -0.431 F(o=-3.2!,f=-0.43) USER MOD Single : A 666 LYS NZ :NH3+ 165:sc=-0.00458 (180deg=-0.102) USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 673 ASN :FLIP amide:sc= -1.09 F(o=-2.4,f=-1.1) USER MOD Single : A 677 HIS : no HE2:sc= -1.01 X(o=-1,f=-0.83) USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.626) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 9:sc= -2.32 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 71:sc= -1.63 USER MOD Single : A 712 ASN : amide:sc= -1.79! C(o=-1.8!,f=-7.5!) USER MOD Single : A 715 LYS NZ :NH3+ -131:sc=-0.00317 (180deg=-1.44!) USER MOD Single : A 717 SER OG : rot -52:sc= 0.189 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.113 -2.838 7.574 1.00 0.00 N ATOM 77 CA CYS A 652 7.803 -3.359 7.951 1.00 0.00 C ATOM 78 C CYS A 652 6.750 -2.982 6.914 1.00 0.00 C ATOM 79 O CYS A 652 5.607 -3.432 6.986 1.00 0.00 O ATOM 80 CB CYS A 652 7.396 -2.829 9.326 1.00 0.00 C ATOM 81 SG CYS A 652 7.697 -1.060 9.553 1.00 0.00 S ATOM 0 HA CYS A 652 7.870 -4.446 7.995 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.336 -3.029 9.482 1.00 0.00 H new ATOM 0 HB3 CYS A 652 7.941 -3.381 10.092 1.00 0.00 H new ATOM 0 HG CYS A 652 8.609 -0.664 8.715 1.00 0.00 H new ATOM 87 N GLN A 653 7.143 -2.152 5.953 1.00 0.00 N ATOM 88 CA GLN A 653 6.231 -1.713 4.904 1.00 0.00 C ATOM 89 C GLN A 653 6.690 -2.215 3.539 1.00 0.00 C ATOM 90 O GLN A 653 7.875 -2.471 3.327 1.00 0.00 O ATOM 91 CB GLN A 653 6.132 -0.186 4.892 1.00 0.00 C ATOM 92 CG GLN A 653 5.149 0.351 3.863 1.00 0.00 C ATOM 93 CD GLN A 653 4.685 1.759 4.180 1.00 0.00 C ATOM 94 OE1 GLN A 653 4.187 2.030 5.273 1.00 0.00 O ATOM 95 NE2 GLN A 653 4.847 2.665 3.223 1.00 0.00 N ATOM 0 H GLN A 653 8.086 -1.770 5.879 1.00 0.00 H new ATOM 0 HA GLN A 653 5.247 -2.133 5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.833 0.158 5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.119 0.232 4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 653 5.617 0.339 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.284 -0.310 3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 653 5.264 2.396 2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.554 3.630 3.379 1.00 0.00 H new ATOM 104 N ILE A 654 5.743 -2.355 2.617 1.00 0.00 N ATOM 105 CA ILE A 654 6.051 -2.826 1.272 1.00 0.00 C ATOM 106 C ILE A 654 5.283 -2.030 0.222 1.00 0.00 C ATOM 107 O ILE A 654 4.354 -1.290 0.545 1.00 0.00 O ATOM 108 CB ILE A 654 5.720 -4.321 1.110 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.215 -4.553 1.268 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.497 -5.149 2.123 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.775 -5.948 0.884 1.00 0.00 C ATOM 0 H ILE A 654 4.757 -2.149 2.777 1.00 0.00 H new ATOM 0 HA ILE A 654 7.121 -2.681 1.124 1.00 0.00 H new ATOM 0 HB ILE A 654 6.015 -4.636 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.933 -4.364 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.678 -3.830 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.252 -6.203 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.566 -5.004 1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.230 -4.834 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.698 -6.040 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 654 4.025 -6.134 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.285 -6.677 1.514 1.00 0.00 H new ATOM 123 N PHE A 655 5.677 -2.189 -1.037 1.00 0.00 N ATOM 124 CA PHE A 655 5.026 -1.486 -2.137 1.00 0.00 C ATOM 125 C PHE A 655 4.395 -2.472 -3.115 1.00 0.00 C ATOM 126 O PHE A 655 4.822 -3.623 -3.216 1.00 0.00 O ATOM 127 CB PHE A 655 6.033 -0.597 -2.869 1.00 0.00 C ATOM 128 CG PHE A 655 5.406 0.589 -3.544 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.935 1.658 -2.799 1.00 0.00 C ATOM 130 CD2 PHE A 655 5.287 0.635 -4.924 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.358 2.751 -3.418 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.711 1.725 -5.548 1.00 0.00 C ATOM 133 CZ PHE A 655 4.245 2.784 -4.794 1.00 0.00 C ATOM 0 H PHE A 655 6.444 -2.798 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 655 4.237 -0.861 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.781 -0.247 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.558 -1.194 -3.615 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.020 1.637 -1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.649 -0.191 -5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 655 3.996 3.579 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.625 1.749 -6.624 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.793 3.636 -5.279 1.00 0.00 H new ATOM 143 N VAL A 656 3.375 -2.013 -3.833 1.00 0.00 N ATOM 144 CA VAL A 656 2.684 -2.854 -4.804 1.00 0.00 C ATOM 145 C VAL A 656 2.315 -2.061 -6.053 1.00 0.00 C ATOM 146 O VAL A 656 2.089 -0.853 -5.989 1.00 0.00 O ATOM 147 CB VAL A 656 1.407 -3.470 -4.204 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.954 -4.667 -5.027 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.637 -3.866 -2.754 1.00 0.00 C ATOM 0 H VAL A 656 3.009 -1.064 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 656 3.371 -3.655 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 656 0.616 -2.721 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 656 0.050 -5.089 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.747 -4.349 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.740 -5.422 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.724 -4.300 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.442 -4.599 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.910 -2.984 -2.175 1.00 0.00 H new ATOM 159 N ARG A 657 2.255 -2.750 -7.188 1.00 0.00 N ATOM 160 CA ARG A 657 1.914 -2.110 -8.453 1.00 0.00 C ATOM 161 C ARG A 657 1.203 -3.089 -9.383 1.00 0.00 C ATOM 162 O ARG A 657 1.217 -4.298 -9.156 1.00 0.00 O ATOM 163 CB ARG A 657 3.173 -1.569 -9.131 1.00 0.00 C ATOM 164 CG ARG A 657 3.724 -0.311 -8.478 1.00 0.00 C ATOM 165 CD ARG A 657 4.743 0.380 -9.372 1.00 0.00 C ATOM 166 NE ARG A 657 4.763 1.825 -9.162 1.00 0.00 N ATOM 167 CZ ARG A 657 5.647 2.638 -9.730 1.00 0.00 C ATOM 168 NH1 ARG A 657 6.578 2.149 -10.538 1.00 0.00 N ATOM 169 NH2 ARG A 657 5.601 3.942 -9.491 1.00 0.00 N ATOM 0 H ARG A 657 2.438 -3.751 -7.257 1.00 0.00 H new ATOM 0 HA ARG A 657 1.239 -1.281 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.942 -2.341 -9.119 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.950 -1.358 -10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 657 2.906 0.375 -8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 657 4.188 -0.567 -7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.734 -0.029 -9.176 1.00 0.00 H new ATOM 0 HD3 ARG A 657 4.512 0.168 -10.416 1.00 0.00 H new ATOM 0 HE ARG A 657 4.060 2.232 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 657 6.616 1.147 -10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 657 7.256 2.775 -10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 657 4.886 4.322 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 657 6.280 4.565 -9.928 1.00 0.00 H new ATOM 183 N ASN A 658 0.581 -2.556 -10.430 1.00 0.00 N ATOM 184 CA ASN A 658 -0.137 -3.383 -11.394 1.00 0.00 C ATOM 185 C ASN A 658 -1.337 -4.062 -10.741 1.00 0.00 C ATOM 186 O ASN A 658 -1.582 -5.251 -10.951 1.00 0.00 O ATOM 187 CB ASN A 658 0.799 -4.437 -11.989 1.00 0.00 C ATOM 188 CG ASN A 658 0.419 -4.811 -13.409 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.745 -5.432 -13.565 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 1.162 -4.545 -14.353 1.00 0.00 N flip ATOM 0 H ASN A 658 0.560 -1.557 -10.632 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.499 -2.736 -12.193 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.822 -4.060 -11.977 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.781 -5.330 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 658 2.047 -4.067 -14.186 1.00 0.00 H new ATOM 0 HD22 ASN A 658 0.893 -4.803 -15.302 1.00 0.00 H new ATOM 197 N LEU A 659 -2.082 -3.300 -9.948 1.00 0.00 N ATOM 198 CA LEU A 659 -3.258 -3.827 -9.265 1.00 0.00 C ATOM 199 C LEU A 659 -4.531 -3.496 -10.037 1.00 0.00 C ATOM 200 O LEU A 659 -4.664 -2.428 -10.635 1.00 0.00 O ATOM 201 CB LEU A 659 -3.346 -3.259 -7.847 1.00 0.00 C ATOM 202 CG LEU A 659 -2.279 -3.740 -6.864 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.235 -2.839 -5.640 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.541 -5.183 -6.457 1.00 0.00 C ATOM 0 H LEU A 659 -1.893 -2.315 -9.762 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.160 -4.911 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.291 -2.172 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.326 -3.506 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.309 -3.693 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.469 -3.197 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -1.999 -1.820 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.205 -2.853 -5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -1.772 -5.509 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.519 -5.255 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.520 -5.820 -7.341 1.00 0.00 H new ATOM 216 N PRO A 660 -5.491 -4.432 -10.024 1.00 0.00 N ATOM 217 CA PRO A 660 -6.772 -4.262 -10.716 1.00 0.00 C ATOM 218 C PRO A 660 -7.414 -2.910 -10.424 1.00 0.00 C ATOM 219 O PRO A 660 -7.545 -2.511 -9.267 1.00 0.00 O ATOM 220 CB PRO A 660 -7.633 -5.396 -10.153 1.00 0.00 C ATOM 221 CG PRO A 660 -6.657 -6.440 -9.733 1.00 0.00 C ATOM 222 CD PRO A 660 -5.401 -5.729 -9.332 1.00 0.00 C ATOM 0 HA PRO A 660 -6.657 -4.294 -11.799 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.235 -5.055 -9.311 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.324 -5.779 -10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.051 -7.025 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.462 -7.136 -10.549 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.342 -5.602 -8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.513 -6.284 -9.637 1.00 0.00 H new ATOM 230 N PHE A 661 -7.813 -2.209 -11.480 1.00 0.00 N ATOM 231 CA PHE A 661 -8.441 -0.901 -11.336 1.00 0.00 C ATOM 232 C PHE A 661 -9.559 -0.945 -10.298 1.00 0.00 C ATOM 233 O PHE A 661 -9.866 0.061 -9.658 1.00 0.00 O ATOM 234 CB PHE A 661 -8.997 -0.428 -12.681 1.00 0.00 C ATOM 235 CG PHE A 661 -9.075 1.067 -12.805 1.00 0.00 C ATOM 236 CD1 PHE A 661 -7.955 1.806 -13.152 1.00 0.00 C ATOM 237 CD2 PHE A 661 -10.267 1.733 -12.575 1.00 0.00 C ATOM 238 CE1 PHE A 661 -8.023 3.181 -13.268 1.00 0.00 C ATOM 239 CE2 PHE A 661 -10.342 3.109 -12.689 1.00 0.00 C ATOM 240 CZ PHE A 661 -9.218 3.834 -13.035 1.00 0.00 C ATOM 0 H PHE A 661 -7.713 -2.525 -12.445 1.00 0.00 H new ATOM 0 HA PHE A 661 -7.682 -0.197 -10.996 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -8.370 -0.819 -13.482 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -9.993 -0.849 -12.822 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.018 1.301 -13.334 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -11.148 1.171 -12.303 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -7.143 3.745 -13.541 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -11.278 3.616 -12.508 1.00 0.00 H new ATOM 0 HZ PHE A 661 -9.273 4.909 -13.123 1.00 0.00 H new ATOM 250 N ASP A 662 -10.163 -2.117 -10.139 1.00 0.00 N ATOM 251 CA ASP A 662 -11.247 -2.294 -9.179 1.00 0.00 C ATOM 252 C ASP A 662 -10.697 -2.605 -7.790 1.00 0.00 C ATOM 253 O ASP A 662 -11.322 -2.287 -6.778 1.00 0.00 O ATOM 254 CB ASP A 662 -12.182 -3.416 -9.634 1.00 0.00 C ATOM 255 CG ASP A 662 -13.199 -3.787 -8.573 1.00 0.00 C ATOM 256 OD1 ASP A 662 -13.632 -2.886 -7.824 1.00 0.00 O ATOM 257 OD2 ASP A 662 -13.564 -4.979 -8.493 1.00 0.00 O ATOM 0 H ASP A 662 -9.921 -2.959 -10.662 1.00 0.00 H new ATOM 0 HA ASP A 662 -11.809 -1.362 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -12.703 -3.106 -10.540 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -11.592 -4.296 -9.891 1.00 0.00 H new ATOM 262 N PHE A 663 -9.525 -3.230 -7.749 1.00 0.00 N ATOM 263 CA PHE A 663 -8.891 -3.586 -6.485 1.00 0.00 C ATOM 264 C PHE A 663 -9.092 -2.485 -5.447 1.00 0.00 C ATOM 265 O PHE A 663 -8.669 -1.345 -5.644 1.00 0.00 O ATOM 266 CB PHE A 663 -7.397 -3.841 -6.693 1.00 0.00 C ATOM 267 CG PHE A 663 -6.821 -4.843 -5.734 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.236 -6.165 -5.761 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.864 -4.464 -4.806 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.708 -7.089 -4.879 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.332 -5.384 -3.922 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.754 -6.699 -3.960 1.00 0.00 C ATOM 0 H PHE A 663 -8.995 -3.501 -8.577 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.360 -4.498 -6.116 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.235 -4.191 -7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.858 -2.899 -6.589 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -7.980 -6.477 -6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.530 -3.438 -4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.042 -8.116 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.588 -5.075 -3.203 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.339 -7.421 -3.272 1.00 0.00 H new ATOM 282 N THR A 664 -9.741 -2.834 -4.341 1.00 0.00 N ATOM 283 CA THR A 664 -10.000 -1.878 -3.273 1.00 0.00 C ATOM 284 C THR A 664 -9.001 -2.042 -2.133 1.00 0.00 C ATOM 285 O THR A 664 -8.221 -2.995 -2.112 1.00 0.00 O ATOM 286 CB THR A 664 -11.428 -2.031 -2.715 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.619 -3.359 -2.216 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.463 -1.733 -3.789 1.00 0.00 C ATOM 0 H THR A 664 -10.097 -3.773 -4.162 1.00 0.00 H new ATOM 0 HA THR A 664 -9.892 -0.884 -3.707 1.00 0.00 H new ATOM 0 HB THR A 664 -11.556 -1.316 -1.902 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.528 -3.448 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.464 -1.847 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 664 -12.333 -0.711 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.335 -2.426 -4.620 1.00 0.00 H new ATOM 296 N TRP A 665 -9.030 -1.110 -1.188 1.00 0.00 N ATOM 297 CA TRP A 665 -8.127 -1.153 -0.044 1.00 0.00 C ATOM 298 C TRP A 665 -8.441 -2.345 0.854 1.00 0.00 C ATOM 299 O TRP A 665 -7.558 -3.137 1.184 1.00 0.00 O ATOM 300 CB TRP A 665 -8.224 0.145 0.759 1.00 0.00 C ATOM 301 CG TRP A 665 -9.351 0.149 1.748 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.554 0.782 1.616 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.377 -0.508 3.019 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.327 0.557 2.730 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.628 -0.232 3.605 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.467 -1.305 3.719 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -10.988 -0.724 4.856 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.826 -1.792 4.961 1.00 0.00 C ATOM 309 CH2 TRP A 665 -10.078 -1.501 5.519 1.00 0.00 C ATOM 0 H TRP A 665 -9.669 -0.315 -1.191 1.00 0.00 H new ATOM 0 HA TRP A 665 -7.110 -1.264 -0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.285 0.307 1.288 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.351 0.981 0.071 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.854 1.372 0.763 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.269 0.919 2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.500 -1.536 3.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -11.952 -0.500 5.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.130 -2.408 5.511 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.329 -1.898 6.491 1.00 0.00 H new ATOM 320 N LYS A 666 -9.705 -2.467 1.246 1.00 0.00 N ATOM 321 CA LYS A 666 -10.137 -3.563 2.105 1.00 0.00 C ATOM 322 C LYS A 666 -9.563 -4.892 1.622 1.00 0.00 C ATOM 323 O LYS A 666 -9.031 -5.671 2.411 1.00 0.00 O ATOM 324 CB LYS A 666 -11.665 -3.639 2.140 1.00 0.00 C ATOM 325 CG LYS A 666 -12.199 -4.787 2.979 1.00 0.00 C ATOM 326 CD LYS A 666 -12.380 -4.379 4.431 1.00 0.00 C ATOM 327 CE LYS A 666 -13.724 -3.704 4.657 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.847 -4.681 4.627 1.00 0.00 N ATOM 0 H LYS A 666 -10.448 -1.820 0.982 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.765 -3.371 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -12.058 -2.701 2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -12.039 -3.741 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.153 -5.123 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.513 -5.632 2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -12.302 -5.259 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -11.578 -3.701 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -13.715 -3.190 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.883 -2.945 3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -15.700 -4.242 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -15.034 -4.964 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -14.592 -5.520 5.187 1.00 0.00 H new ATOM 342 N MET A 667 -9.674 -5.141 0.321 1.00 0.00 N ATOM 343 CA MET A 667 -9.163 -6.374 -0.266 1.00 0.00 C ATOM 344 C MET A 667 -7.650 -6.467 -0.104 1.00 0.00 C ATOM 345 O MET A 667 -7.129 -7.462 0.404 1.00 0.00 O ATOM 346 CB MET A 667 -9.535 -6.451 -1.748 1.00 0.00 C ATOM 347 CG MET A 667 -10.953 -6.938 -1.995 1.00 0.00 C ATOM 348 SD MET A 667 -11.138 -7.759 -3.590 1.00 0.00 S ATOM 349 CE MET A 667 -10.588 -6.467 -4.702 1.00 0.00 C ATOM 0 H MET A 667 -10.113 -4.506 -0.346 1.00 0.00 H new ATOM 0 HA MET A 667 -9.619 -7.213 0.259 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.416 -5.464 -2.196 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.837 -7.118 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.240 -7.627 -1.201 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.638 -6.091 -1.945 1.00 0.00 H new ATOM 0 HE1 MET A 667 -10.458 -6.879 -5.703 1.00 0.00 H new ATOM 0 HE2 MET A 667 -11.332 -5.671 -4.732 1.00 0.00 H new ATOM 0 HE3 MET A 667 -9.639 -6.063 -4.349 1.00 0.00 H new ATOM 359 N LEU A 668 -6.948 -5.426 -0.537 1.00 0.00 N ATOM 360 CA LEU A 668 -5.492 -5.391 -0.440 1.00 0.00 C ATOM 361 C LEU A 668 -5.026 -5.877 0.929 1.00 0.00 C ATOM 362 O LEU A 668 -4.135 -6.720 1.030 1.00 0.00 O ATOM 363 CB LEU A 668 -4.979 -3.972 -0.692 1.00 0.00 C ATOM 364 CG LEU A 668 -3.534 -3.697 -0.277 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.565 -4.382 -1.229 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.268 -2.200 -0.228 1.00 0.00 C ATOM 0 H LEU A 668 -7.363 -4.595 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.085 -6.058 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.078 -3.755 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.627 -3.274 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.380 -4.106 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.541 -4.175 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.738 -5.458 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.720 -4.005 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.234 -2.024 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.441 -1.767 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.938 -1.735 0.495 1.00 0.00 H new ATOM 378 N LYS A 669 -5.636 -5.341 1.980 1.00 0.00 N ATOM 379 CA LYS A 669 -5.287 -5.721 3.344 1.00 0.00 C ATOM 380 C LYS A 669 -5.516 -7.213 3.568 1.00 0.00 C ATOM 381 O LYS A 669 -4.565 -7.985 3.690 1.00 0.00 O ATOM 382 CB LYS A 669 -6.111 -4.911 4.348 1.00 0.00 C ATOM 383 CG LYS A 669 -6.170 -5.537 5.731 1.00 0.00 C ATOM 384 CD LYS A 669 -6.994 -4.693 6.689 1.00 0.00 C ATOM 385 CE LYS A 669 -6.562 -4.908 8.132 1.00 0.00 C ATOM 386 NZ LYS A 669 -7.600 -4.448 9.096 1.00 0.00 N ATOM 0 H LYS A 669 -6.375 -4.641 1.914 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.229 -5.507 3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.688 -3.910 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.126 -4.798 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.601 -6.536 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -5.159 -5.652 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -6.890 -3.639 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -8.049 -4.945 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -6.357 -5.966 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -5.632 -4.371 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -7.268 -4.612 10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.777 -3.433 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -8.481 -4.978 8.937 1.00 0.00 H new ATOM 400 N ASP A 670 -6.782 -7.611 3.620 1.00 0.00 N ATOM 401 CA ASP A 670 -7.136 -9.010 3.827 1.00 0.00 C ATOM 402 C ASP A 670 -6.365 -9.913 2.868 1.00 0.00 C ATOM 403 O ASP A 670 -6.162 -11.096 3.140 1.00 0.00 O ATOM 404 CB ASP A 670 -8.640 -9.212 3.639 1.00 0.00 C ATOM 405 CG ASP A 670 -9.084 -10.618 3.989 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.971 -11.509 3.121 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.545 -10.828 5.130 1.00 0.00 O ATOM 0 H ASP A 670 -7.581 -6.984 3.522 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.867 -9.280 4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.180 -8.498 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.906 -8.997 2.604 1.00 0.00 H new ATOM 412 N LYS A 671 -5.939 -9.347 1.744 1.00 0.00 N ATOM 413 CA LYS A 671 -5.191 -10.099 0.744 1.00 0.00 C ATOM 414 C LYS A 671 -3.803 -10.463 1.263 1.00 0.00 C ATOM 415 O LYS A 671 -3.331 -11.583 1.069 1.00 0.00 O ATOM 416 CB LYS A 671 -5.067 -9.287 -0.547 1.00 0.00 C ATOM 417 CG LYS A 671 -4.495 -10.078 -1.711 1.00 0.00 C ATOM 418 CD LYS A 671 -5.504 -11.073 -2.258 1.00 0.00 C ATOM 419 CE LYS A 671 -4.826 -12.165 -3.072 1.00 0.00 C ATOM 420 NZ LYS A 671 -5.592 -13.441 -3.035 1.00 0.00 N ATOM 0 H LYS A 671 -6.099 -8.369 1.503 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.735 -11.020 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.051 -8.909 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.433 -8.420 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -4.192 -9.393 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.599 -10.608 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -6.057 -11.523 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -6.230 -10.551 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -4.720 -11.835 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -3.820 -12.334 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -5.097 -14.159 -3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -5.671 -13.770 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -6.543 -13.286 -3.426 1.00 0.00 H new ATOM 434 N PHE A 672 -3.155 -9.510 1.925 1.00 0.00 N ATOM 435 CA PHE A 672 -1.822 -9.731 2.472 1.00 0.00 C ATOM 436 C PHE A 672 -1.901 -10.336 3.871 1.00 0.00 C ATOM 437 O PHE A 672 -0.907 -10.825 4.404 1.00 0.00 O ATOM 438 CB PHE A 672 -1.041 -8.416 2.517 1.00 0.00 C ATOM 439 CG PHE A 672 -0.368 -8.074 1.218 1.00 0.00 C ATOM 440 CD1 PHE A 672 -1.106 -7.614 0.140 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.004 -8.212 1.077 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.489 -7.299 -1.056 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.626 -7.898 -0.117 1.00 0.00 C ATOM 444 CZ PHE A 672 0.879 -7.440 -1.184 1.00 0.00 C ATOM 0 H PHE A 672 -3.532 -8.578 2.095 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.302 -10.433 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.720 -7.608 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.288 -8.477 3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.176 -7.500 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.593 -8.569 1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -1.076 -6.943 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.696 -8.011 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.363 -7.192 -2.117 1.00 0.00 H new ATOM 454 N ASN A 673 -3.093 -10.298 4.458 1.00 0.00 N ATOM 455 CA ASN A 673 -3.303 -10.841 5.795 1.00 0.00 C ATOM 456 C ASN A 673 -2.801 -12.279 5.883 1.00 0.00 C ATOM 457 O ASN A 673 -2.218 -12.682 6.889 1.00 0.00 O ATOM 458 CB ASN A 673 -4.787 -10.784 6.164 1.00 0.00 C ATOM 459 CG ASN A 673 -5.164 -9.482 6.844 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.732 -8.367 6.268 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.836 -9.480 7.876 1.00 0.00 N flip ATOM 0 H ASN A 673 -3.927 -9.897 4.029 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.736 -10.233 6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.388 -10.907 5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -5.027 -11.618 6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -6.147 -10.362 8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -6.082 -8.597 8.323 1.00 0.00 H new ATOM 468 N GLU A 674 -3.032 -13.047 4.823 1.00 0.00 N ATOM 469 CA GLU A 674 -2.603 -14.440 4.782 1.00 0.00 C ATOM 470 C GLU A 674 -1.144 -14.573 5.210 1.00 0.00 C ATOM 471 O GLU A 674 -0.769 -15.533 5.885 1.00 0.00 O ATOM 472 CB GLU A 674 -2.787 -15.012 3.374 1.00 0.00 C ATOM 473 CG GLU A 674 -4.232 -15.020 2.904 1.00 0.00 C ATOM 474 CD GLU A 674 -4.358 -15.237 1.409 1.00 0.00 C ATOM 475 OE1 GLU A 674 -3.615 -16.082 0.867 1.00 0.00 O ATOM 476 OE2 GLU A 674 -5.200 -14.562 0.781 1.00 0.00 O ATOM 0 H GLU A 674 -3.513 -12.729 3.982 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.221 -15.005 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -2.189 -14.429 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -2.401 -16.031 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.776 -15.805 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.702 -14.074 3.171 1.00 0.00 H new ATOM 483 N CYS A 675 -0.327 -13.605 4.813 1.00 0.00 N ATOM 484 CA CYS A 675 1.092 -13.613 5.154 1.00 0.00 C ATOM 485 C CYS A 675 1.301 -13.241 6.618 1.00 0.00 C ATOM 486 O CYS A 675 1.931 -13.980 7.373 1.00 0.00 O ATOM 487 CB CYS A 675 1.860 -12.644 4.253 1.00 0.00 C ATOM 488 SG CYS A 675 1.866 -13.108 2.506 1.00 0.00 S ATOM 0 H CYS A 675 -0.622 -12.804 4.255 1.00 0.00 H new ATOM 0 HA CYS A 675 1.473 -14.622 4.997 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.424 -11.650 4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 675 2.890 -12.577 4.604 1.00 0.00 H new ATOM 0 HG CYS A 675 2.146 -12.066 1.781 1.00 0.00 H new ATOM 494 N GLY A 676 0.769 -12.087 7.012 1.00 0.00 N ATOM 495 CA GLY A 676 0.910 -11.636 8.384 1.00 0.00 C ATOM 496 C GLY A 676 -0.127 -10.597 8.762 1.00 0.00 C ATOM 497 O GLY A 676 -1.022 -10.287 7.974 1.00 0.00 O ATOM 0 H GLY A 676 0.243 -11.457 6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.825 -12.491 9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.907 -11.218 8.525 1.00 0.00 H new ATOM 501 N HIS A 677 -0.010 -10.059 9.972 1.00 0.00 N ATOM 502 CA HIS A 677 -0.947 -9.050 10.453 1.00 0.00 C ATOM 503 C HIS A 677 -0.738 -7.725 9.727 1.00 0.00 C ATOM 504 O HIS A 677 0.322 -7.108 9.832 1.00 0.00 O ATOM 505 CB HIS A 677 -0.784 -8.851 11.961 1.00 0.00 C ATOM 506 CG HIS A 677 -1.813 -7.942 12.559 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.618 -8.310 13.617 1.00 0.00 N ATOM 508 CD2 HIS A 677 -2.165 -6.674 12.244 1.00 0.00 C ATOM 509 CE1 HIS A 677 -3.422 -7.308 13.925 1.00 0.00 C ATOM 510 NE2 HIS A 677 -3.166 -6.302 13.107 1.00 0.00 N ATOM 0 H HIS A 677 0.724 -10.305 10.637 1.00 0.00 H new ATOM 0 HA HIS A 677 -1.958 -9.400 10.248 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -0.837 -9.821 12.455 1.00 0.00 H new ATOM 0 HB3 HIS A 677 0.208 -8.445 12.161 1.00 0.00 H new ATOM 0 HD1 HIS A 677 -2.596 -9.214 14.088 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -1.738 -6.067 11.459 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.162 -7.311 14.711 1.00 0.00 H new ATOM 519 N VAL A 678 -1.757 -7.292 8.990 1.00 0.00 N ATOM 520 CA VAL A 678 -1.685 -6.040 8.247 1.00 0.00 C ATOM 521 C VAL A 678 -2.332 -4.901 9.026 1.00 0.00 C ATOM 522 O VAL A 678 -3.493 -4.990 9.428 1.00 0.00 O ATOM 523 CB VAL A 678 -2.371 -6.163 6.873 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.340 -4.831 6.140 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.710 -7.253 6.044 1.00 0.00 C ATOM 0 H VAL A 678 -2.642 -7.790 8.892 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.628 -5.820 8.099 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.414 -6.440 7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.829 -4.937 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.863 -4.079 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.306 -4.521 5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.207 -7.326 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.658 -7.009 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.790 -8.206 6.566 1.00 0.00 H new ATOM 535 N LEU A 679 -1.574 -3.830 9.236 1.00 0.00 N ATOM 536 CA LEU A 679 -2.074 -2.671 9.967 1.00 0.00 C ATOM 537 C LEU A 679 -2.518 -1.571 9.007 1.00 0.00 C ATOM 538 O LEU A 679 -3.691 -1.199 8.974 1.00 0.00 O ATOM 539 CB LEU A 679 -0.996 -2.135 10.911 1.00 0.00 C ATOM 540 CG LEU A 679 -0.385 -3.150 11.877 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.931 -2.631 12.435 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.357 -3.465 13.005 1.00 0.00 C ATOM 0 H LEU A 679 -0.611 -3.740 8.911 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.937 -2.987 10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.194 -1.708 10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.425 -1.320 11.495 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.186 -4.070 11.328 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.351 -3.367 13.121 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.630 -2.457 11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.757 -1.696 12.968 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.905 -4.189 13.683 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.588 -2.551 13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.275 -3.881 12.589 1.00 0.00 H new ATOM 554 N TYR A 680 -1.574 -1.057 8.227 1.00 0.00 N ATOM 555 CA TYR A 680 -1.867 -0.001 7.267 1.00 0.00 C ATOM 556 C TYR A 680 -2.062 -0.576 5.867 1.00 0.00 C ATOM 557 O TYR A 680 -1.264 -1.388 5.401 1.00 0.00 O ATOM 558 CB TYR A 680 -0.740 1.033 7.253 1.00 0.00 C ATOM 559 CG TYR A 680 -0.860 2.045 6.137 1.00 0.00 C ATOM 560 CD1 TYR A 680 -2.081 2.636 5.836 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.249 2.412 5.383 1.00 0.00 C ATOM 562 CE1 TYR A 680 -2.195 3.561 4.816 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.144 3.337 4.362 1.00 0.00 C ATOM 564 CZ TYR A 680 -1.080 3.908 4.083 1.00 0.00 C ATOM 565 OH TYR A 680 -1.189 4.830 3.067 1.00 0.00 O ATOM 0 H TYR A 680 -0.599 -1.355 8.241 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.793 0.486 7.573 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.728 1.558 8.208 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.215 0.516 7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.956 2.368 6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.209 1.966 5.599 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -3.152 4.010 4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.015 3.611 3.786 1.00 0.00 H new ATOM 0 HH TYR A 680 -0.312 4.963 2.651 1.00 0.00 H new ATOM 575 N ALA A 681 -3.130 -0.147 5.202 1.00 0.00 N ATOM 576 CA ALA A 681 -3.430 -0.616 3.855 1.00 0.00 C ATOM 577 C ALA A 681 -4.313 0.380 3.111 1.00 0.00 C ATOM 578 O ALA A 681 -5.400 0.727 3.573 1.00 0.00 O ATOM 579 CB ALA A 681 -4.100 -1.981 3.908 1.00 0.00 C ATOM 0 H ALA A 681 -3.802 0.524 5.574 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.490 -0.706 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.318 -2.319 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.434 -2.695 4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -5.029 -1.909 4.474 1.00 0.00 H new ATOM 585 N ASP A 682 -3.839 0.837 1.957 1.00 0.00 N ATOM 586 CA ASP A 682 -4.586 1.794 1.149 1.00 0.00 C ATOM 587 C ASP A 682 -4.146 1.732 -0.311 1.00 0.00 C ATOM 588 O ASP A 682 -3.034 1.300 -0.616 1.00 0.00 O ATOM 589 CB ASP A 682 -4.397 3.211 1.692 1.00 0.00 C ATOM 590 CG ASP A 682 -5.547 4.129 1.328 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.712 3.720 1.511 1.00 0.00 O ATOM 592 OD2 ASP A 682 -5.282 5.256 0.859 1.00 0.00 O ATOM 0 H ASP A 682 -2.941 0.560 1.560 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.642 1.531 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -4.297 3.171 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.468 3.626 1.302 1.00 0.00 H new ATOM 597 N ILE A 683 -5.026 2.165 -1.207 1.00 0.00 N ATOM 598 CA ILE A 683 -4.728 2.159 -2.634 1.00 0.00 C ATOM 599 C ILE A 683 -4.247 3.529 -3.101 1.00 0.00 C ATOM 600 O ILE A 683 -5.044 4.447 -3.294 1.00 0.00 O ATOM 601 CB ILE A 683 -5.959 1.749 -3.464 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.381 0.320 -3.120 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.661 1.876 -4.951 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.383 -0.728 -3.560 1.00 0.00 C ATOM 0 H ILE A 683 -5.951 2.524 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.936 1.427 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.783 2.419 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.526 0.242 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.344 0.112 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.540 1.583 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.404 2.909 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.825 1.227 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.748 -1.717 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.256 -0.678 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.425 -0.545 -3.073 1.00 0.00 H new ATOM 616 N LYS A 684 -2.937 3.659 -3.283 1.00 0.00 N ATOM 617 CA LYS A 684 -2.348 4.915 -3.731 1.00 0.00 C ATOM 618 C LYS A 684 -2.934 5.343 -5.073 1.00 0.00 C ATOM 619 O LYS A 684 -3.086 4.528 -5.982 1.00 0.00 O ATOM 620 CB LYS A 684 -0.828 4.776 -3.847 1.00 0.00 C ATOM 621 CG LYS A 684 -0.172 4.207 -2.601 1.00 0.00 C ATOM 622 CD LYS A 684 -0.280 5.166 -1.427 1.00 0.00 C ATOM 623 CE LYS A 684 0.914 6.107 -1.365 1.00 0.00 C ATOM 624 NZ LYS A 684 0.674 7.359 -2.134 1.00 0.00 N ATOM 0 H LYS A 684 -2.263 2.909 -3.127 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.582 5.681 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -0.594 4.134 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.397 5.755 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.642 3.259 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.878 3.997 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 684 -1.198 5.747 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -0.347 4.600 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 684 1.127 6.355 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 684 1.795 5.602 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 1.183 7.313 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 -0.345 7.466 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 1.016 8.174 -1.586 1.00 0.00 H new ATOM 724 N LYS A 691 -3.936 3.835 -9.755 1.00 0.00 N ATOM 725 CA LYS A 691 -2.664 3.556 -10.411 1.00 0.00 C ATOM 726 C LYS A 691 -2.222 2.119 -10.152 1.00 0.00 C ATOM 727 O LYS A 691 -1.045 1.787 -10.292 1.00 0.00 O ATOM 728 CB LYS A 691 -1.589 4.528 -9.919 1.00 0.00 C ATOM 729 CG LYS A 691 -1.893 5.982 -10.235 1.00 0.00 C ATOM 730 CD LYS A 691 -2.181 6.183 -11.714 1.00 0.00 C ATOM 731 CE LYS A 691 -2.143 7.655 -12.094 1.00 0.00 C ATOM 732 NZ LYS A 691 -2.097 7.846 -13.570 1.00 0.00 N ATOM 0 HA LYS A 691 -2.801 3.688 -11.484 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.475 4.415 -8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.634 4.259 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -2.751 6.311 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.048 6.604 -9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -1.449 5.634 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -3.160 5.769 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -3.022 8.157 -11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -1.271 8.125 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 -2.072 8.863 -13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -1.245 7.389 -13.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -2.942 7.420 -14.002 1.00 0.00 H new ATOM 746 N GLY A 692 -3.173 1.270 -9.776 1.00 0.00 N ATOM 747 CA GLY A 692 -2.862 -0.121 -9.505 1.00 0.00 C ATOM 748 C GLY A 692 -1.657 -0.280 -8.600 1.00 0.00 C ATOM 749 O GLY A 692 -0.905 -1.248 -8.720 1.00 0.00 O ATOM 0 H GLY A 692 -4.154 1.521 -9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.725 -0.600 -9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.676 -0.639 -10.446 1.00 0.00 H new ATOM 753 N CYS A 693 -1.471 0.672 -7.692 1.00 0.00 N ATOM 754 CA CYS A 693 -0.347 0.635 -6.764 1.00 0.00 C ATOM 755 C CYS A 693 -0.809 0.917 -5.338 1.00 0.00 C ATOM 756 O CYS A 693 -1.512 1.894 -5.084 1.00 0.00 O ATOM 757 CB CYS A 693 0.717 1.652 -7.178 1.00 0.00 C ATOM 758 SG CYS A 693 0.179 3.374 -7.057 1.00 0.00 S ATOM 0 H CYS A 693 -2.084 1.479 -7.579 1.00 0.00 H new ATOM 0 HA CYS A 693 0.085 -0.365 -6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.599 1.513 -6.553 1.00 0.00 H new ATOM 0 HB3 CYS A 693 1.019 1.448 -8.205 1.00 0.00 H new ATOM 0 HG CYS A 693 -0.976 3.427 -6.463 1.00 0.00 H new ATOM 764 N GLY A 694 -0.410 0.052 -4.410 1.00 0.00 N ATOM 765 CA GLY A 694 -0.795 0.224 -3.021 1.00 0.00 C ATOM 766 C GLY A 694 0.341 -0.078 -2.064 1.00 0.00 C ATOM 767 O GLY A 694 1.475 -0.304 -2.486 1.00 0.00 O ATOM 0 H GLY A 694 0.173 -0.764 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -1.135 1.248 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.638 -0.429 -2.797 1.00 0.00 H new ATOM 771 N VAL A 695 0.037 -0.079 -0.770 1.00 0.00 N ATOM 772 CA VAL A 695 1.041 -0.354 0.251 1.00 0.00 C ATOM 773 C VAL A 695 0.472 -1.233 1.359 1.00 0.00 C ATOM 774 O VAL A 695 -0.738 -1.256 1.588 1.00 0.00 O ATOM 775 CB VAL A 695 1.583 0.947 0.871 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.415 1.716 -0.145 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.440 1.804 1.394 1.00 0.00 C ATOM 0 H VAL A 695 -0.897 0.108 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 695 1.858 -0.880 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 695 2.227 0.688 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 695 2.790 2.633 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.255 1.101 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 695 1.797 1.966 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 695 0.841 2.720 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -0.231 2.056 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -0.110 1.251 2.156 1.00 0.00 H new ATOM 787 N VAL A 696 1.352 -1.955 2.046 1.00 0.00 N ATOM 788 CA VAL A 696 0.937 -2.835 3.132 1.00 0.00 C ATOM 789 C VAL A 696 1.962 -2.834 4.261 1.00 0.00 C ATOM 790 O VAL A 696 3.130 -3.164 4.054 1.00 0.00 O ATOM 791 CB VAL A 696 0.735 -4.280 2.638 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.372 -5.195 3.797 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.333 -4.327 1.555 1.00 0.00 C ATOM 0 H VAL A 696 2.357 -1.948 1.870 1.00 0.00 H new ATOM 0 HA VAL A 696 -0.012 -2.451 3.506 1.00 0.00 H new ATOM 0 HB VAL A 696 1.672 -4.634 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.233 -6.211 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.174 -5.183 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.552 -4.847 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.463 -5.355 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.275 -3.955 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 696 -0.026 -3.705 0.714 1.00 0.00 H new ATOM 803 N LYS A 697 1.517 -2.462 5.456 1.00 0.00 N ATOM 804 CA LYS A 697 2.394 -2.420 6.620 1.00 0.00 C ATOM 805 C LYS A 697 2.115 -3.593 7.554 1.00 0.00 C ATOM 806 O LYS A 697 0.968 -4.005 7.724 1.00 0.00 O ATOM 807 CB LYS A 697 2.212 -1.100 7.374 1.00 0.00 C ATOM 808 CG LYS A 697 3.450 -0.659 8.136 1.00 0.00 C ATOM 809 CD LYS A 697 3.099 0.300 9.261 1.00 0.00 C ATOM 810 CE LYS A 697 4.208 0.369 10.300 1.00 0.00 C ATOM 811 NZ LYS A 697 4.201 1.665 11.033 1.00 0.00 N ATOM 0 H LYS A 697 0.554 -2.185 5.644 1.00 0.00 H new ATOM 0 HA LYS A 697 3.424 -2.493 6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 697 1.936 -0.321 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.382 -1.202 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 697 3.957 -1.533 8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.148 -0.178 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 697 2.921 1.294 8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.172 -0.019 9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 697 4.092 -0.450 11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 697 5.173 0.233 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 4.971 1.673 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 4.337 2.446 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 3.290 1.783 11.521 1.00 0.00 H new ATOM 825 N PHE A 698 3.172 -4.126 8.159 1.00 0.00 N ATOM 826 CA PHE A 698 3.041 -5.252 9.076 1.00 0.00 C ATOM 827 C PHE A 698 3.569 -4.890 10.461 1.00 0.00 C ATOM 828 O PHE A 698 4.175 -3.835 10.648 1.00 0.00 O ATOM 829 CB PHE A 698 3.792 -6.470 8.534 1.00 0.00 C ATOM 830 CG PHE A 698 3.250 -6.975 7.227 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.716 -6.466 6.026 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.274 -7.959 7.201 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.219 -6.930 4.821 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.775 -8.426 6.000 1.00 0.00 C ATOM 835 CZ PHE A 698 2.247 -7.910 4.809 1.00 0.00 C ATOM 0 H PHE A 698 4.129 -3.796 8.030 1.00 0.00 H new ATOM 0 HA PHE A 698 1.982 -5.496 9.162 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.843 -6.212 8.407 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.748 -7.272 9.271 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.476 -5.698 6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 698 1.900 -8.365 8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.591 -6.526 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 698 1.016 -9.194 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.856 -8.273 3.870 1.00 0.00 H new ATOM 845 N GLU A 699 3.333 -5.772 11.427 1.00 0.00 N ATOM 846 CA GLU A 699 3.784 -5.544 12.795 1.00 0.00 C ATOM 847 C GLU A 699 5.294 -5.737 12.909 1.00 0.00 C ATOM 848 O GLU A 699 5.987 -4.935 13.536 1.00 0.00 O ATOM 849 CB GLU A 699 3.064 -6.491 13.758 1.00 0.00 C ATOM 850 CG GLU A 699 1.636 -6.074 14.066 1.00 0.00 C ATOM 851 CD GLU A 699 1.035 -6.859 15.215 1.00 0.00 C ATOM 852 OE1 GLU A 699 1.797 -7.278 16.111 1.00 0.00 O ATOM 853 OE2 GLU A 699 -0.199 -7.054 15.219 1.00 0.00 O ATOM 0 H GLU A 699 2.833 -6.650 11.288 1.00 0.00 H new ATOM 0 HA GLU A 699 3.545 -4.515 13.062 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.057 -7.494 13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.627 -6.545 14.690 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.616 -5.011 14.307 1.00 0.00 H new ATOM 0 HG3 GLU A 699 1.021 -6.211 13.176 1.00 0.00 H new ATOM 860 N SER A 700 5.796 -6.806 12.300 1.00 0.00 N ATOM 861 CA SER A 700 7.222 -7.107 12.337 1.00 0.00 C ATOM 862 C SER A 700 7.843 -6.967 10.950 1.00 0.00 C ATOM 863 O SER A 700 7.194 -7.185 9.927 1.00 0.00 O ATOM 864 CB SER A 700 7.452 -8.523 12.870 1.00 0.00 C ATOM 865 OG SER A 700 7.224 -8.585 14.267 1.00 0.00 O ATOM 0 H SER A 700 5.236 -7.478 11.775 1.00 0.00 H new ATOM 0 HA SER A 700 7.702 -6.392 13.005 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.788 -9.220 12.359 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.473 -8.836 12.651 1.00 0.00 H new ATOM 0 HG SER A 700 7.376 -9.500 14.583 1.00 0.00 H new ATOM 871 N PRO A 701 9.130 -6.593 10.914 1.00 0.00 N ATOM 872 CA PRO A 701 9.868 -6.415 9.660 1.00 0.00 C ATOM 873 C PRO A 701 10.131 -7.738 8.949 1.00 0.00 C ATOM 874 O PRO A 701 10.130 -7.804 7.721 1.00 0.00 O ATOM 875 CB PRO A 701 11.186 -5.780 10.111 1.00 0.00 C ATOM 876 CG PRO A 701 11.353 -6.217 11.525 1.00 0.00 C ATOM 877 CD PRO A 701 9.965 -6.316 12.095 1.00 0.00 C ATOM 0 HA PRO A 701 9.312 -5.812 8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 701 12.019 -6.115 9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.148 -4.693 10.034 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.866 -7.177 11.579 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.955 -5.502 12.086 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.891 -7.112 12.835 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.667 -5.392 12.590 1.00 0.00 H new ATOM 885 N GLU A 702 10.355 -8.790 9.731 1.00 0.00 N ATOM 886 CA GLU A 702 10.620 -10.112 9.174 1.00 0.00 C ATOM 887 C GLU A 702 9.470 -10.566 8.280 1.00 0.00 C ATOM 888 O GLU A 702 9.685 -11.186 7.238 1.00 0.00 O ATOM 889 CB GLU A 702 10.839 -11.128 10.297 1.00 0.00 C ATOM 890 CG GLU A 702 9.636 -11.294 11.211 1.00 0.00 C ATOM 891 CD GLU A 702 9.972 -12.040 12.487 1.00 0.00 C ATOM 892 OE1 GLU A 702 9.877 -13.286 12.488 1.00 0.00 O ATOM 893 OE2 GLU A 702 10.330 -11.380 13.485 1.00 0.00 O ATOM 0 H GLU A 702 10.358 -8.753 10.750 1.00 0.00 H new ATOM 0 HA GLU A 702 11.525 -10.049 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 702 11.087 -12.094 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.698 -10.819 10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 702 9.238 -10.311 11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.850 -11.829 10.678 1.00 0.00 H new ATOM 900 N VAL A 703 8.246 -10.253 8.694 1.00 0.00 N ATOM 901 CA VAL A 703 7.061 -10.627 7.932 1.00 0.00 C ATOM 902 C VAL A 703 7.068 -9.979 6.552 1.00 0.00 C ATOM 903 O VAL A 703 6.868 -10.648 5.539 1.00 0.00 O ATOM 904 CB VAL A 703 5.769 -10.226 8.669 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.558 -10.425 7.771 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.624 -11.020 9.958 1.00 0.00 C ATOM 0 H VAL A 703 8.049 -9.741 9.554 1.00 0.00 H new ATOM 0 HA VAL A 703 7.085 -11.711 7.822 1.00 0.00 H new ATOM 0 HB VAL A 703 5.830 -9.168 8.925 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.655 -10.137 8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.662 -9.808 6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.488 -11.473 7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.706 -10.724 10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.584 -12.085 9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.478 -10.821 10.606 1.00 0.00 H new ATOM 916 N ALA A 704 7.300 -8.670 6.520 1.00 0.00 N ATOM 917 CA ALA A 704 7.336 -7.931 5.264 1.00 0.00 C ATOM 918 C ALA A 704 8.281 -8.591 4.266 1.00 0.00 C ATOM 919 O ALA A 704 7.885 -8.921 3.149 1.00 0.00 O ATOM 920 CB ALA A 704 7.750 -6.488 5.513 1.00 0.00 C ATOM 0 H ALA A 704 7.466 -8.100 7.350 1.00 0.00 H new ATOM 0 HA ALA A 704 6.334 -7.941 4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.773 -5.948 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 704 7.033 -6.015 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.741 -6.467 5.967 1.00 0.00 H new ATOM 926 N GLU A 705 9.531 -8.778 4.676 1.00 0.00 N ATOM 927 CA GLU A 705 10.532 -9.397 3.815 1.00 0.00 C ATOM 928 C GLU A 705 9.980 -10.659 3.158 1.00 0.00 C ATOM 929 O GLU A 705 10.436 -11.065 2.090 1.00 0.00 O ATOM 930 CB GLU A 705 11.789 -9.736 4.619 1.00 0.00 C ATOM 931 CG GLU A 705 12.691 -8.539 4.873 1.00 0.00 C ATOM 932 CD GLU A 705 13.976 -8.917 5.584 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.397 -10.087 5.464 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.559 -8.045 6.260 1.00 0.00 O ATOM 0 H GLU A 705 9.875 -8.510 5.598 1.00 0.00 H new ATOM 0 HA GLU A 705 10.791 -8.684 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.493 -10.167 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.355 -10.500 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.933 -8.063 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.153 -7.803 5.470 1.00 0.00 H new ATOM 941 N ARG A 706 8.995 -11.274 3.806 1.00 0.00 N ATOM 942 CA ARG A 706 8.382 -12.490 3.287 1.00 0.00 C ATOM 943 C ARG A 706 7.191 -12.158 2.392 1.00 0.00 C ATOM 944 O ARG A 706 7.192 -12.469 1.201 1.00 0.00 O ATOM 945 CB ARG A 706 7.932 -13.391 4.438 1.00 0.00 C ATOM 946 CG ARG A 706 7.679 -14.831 4.021 1.00 0.00 C ATOM 947 CD ARG A 706 6.682 -15.511 4.945 1.00 0.00 C ATOM 948 NE ARG A 706 6.553 -16.937 4.657 1.00 0.00 N ATOM 949 CZ ARG A 706 5.873 -17.783 5.423 1.00 0.00 C ATOM 950 NH1 ARG A 706 5.264 -17.349 6.518 1.00 0.00 N ATOM 951 NH2 ARG A 706 5.802 -19.067 5.094 1.00 0.00 N ATOM 0 H ARG A 706 8.605 -10.950 4.691 1.00 0.00 H new ATOM 0 HA ARG A 706 9.127 -13.017 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.692 -13.376 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 706 7.020 -12.982 4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 706 7.303 -14.854 2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.619 -15.383 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 706 6.997 -15.377 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.708 -15.031 4.844 1.00 0.00 H new ATOM 0 HE ARG A 706 7.010 -17.303 3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 706 5.317 -16.363 6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 706 4.743 -18.001 7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 706 6.270 -19.405 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 706 5.280 -19.716 5.682 1.00 0.00 H new ATOM 965 N ALA A 707 6.178 -11.526 2.974 1.00 0.00 N ATOM 966 CA ALA A 707 4.982 -11.151 2.229 1.00 0.00 C ATOM 967 C ALA A 707 5.330 -10.741 0.802 1.00 0.00 C ATOM 968 O ALA A 707 4.612 -11.073 -0.142 1.00 0.00 O ATOM 969 CB ALA A 707 4.249 -10.023 2.940 1.00 0.00 C ATOM 0 H ALA A 707 6.161 -11.263 3.959 1.00 0.00 H new ATOM 0 HA ALA A 707 4.327 -12.021 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.358 -9.753 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.958 -10.350 3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.905 -9.156 3.019 1.00 0.00 H new ATOM 975 N CYS A 708 6.434 -10.018 0.652 1.00 0.00 N ATOM 976 CA CYS A 708 6.877 -9.561 -0.661 1.00 0.00 C ATOM 977 C CYS A 708 7.057 -10.738 -1.614 1.00 0.00 C ATOM 978 O CYS A 708 6.596 -10.701 -2.755 1.00 0.00 O ATOM 979 CB CYS A 708 8.188 -8.783 -0.538 1.00 0.00 C ATOM 980 SG CYS A 708 8.096 -7.349 0.560 1.00 0.00 S ATOM 0 H CYS A 708 7.039 -9.735 1.423 1.00 0.00 H new ATOM 0 HA CYS A 708 6.109 -8.902 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.965 -9.456 -0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 708 8.494 -8.449 -1.529 1.00 0.00 H new ATOM 0 HG CYS A 708 7.993 -7.752 1.792 1.00 0.00 H new ATOM 986 N ARG A 709 7.731 -11.780 -1.138 1.00 0.00 N ATOM 987 CA ARG A 709 7.975 -12.967 -1.949 1.00 0.00 C ATOM 988 C ARG A 709 6.699 -13.789 -2.107 1.00 0.00 C ATOM 989 O ARG A 709 6.481 -14.424 -3.138 1.00 0.00 O ATOM 990 CB ARG A 709 9.072 -13.825 -1.318 1.00 0.00 C ATOM 991 CG ARG A 709 10.473 -13.462 -1.784 1.00 0.00 C ATOM 992 CD ARG A 709 11.502 -13.692 -0.688 1.00 0.00 C ATOM 993 NE ARG A 709 12.065 -15.039 -0.741 1.00 0.00 N ATOM 994 CZ ARG A 709 13.039 -15.460 0.058 1.00 0.00 C ATOM 995 NH1 ARG A 709 13.555 -14.644 0.967 1.00 0.00 N ATOM 996 NH2 ARG A 709 13.499 -16.700 -0.051 1.00 0.00 N ATOM 0 H ARG A 709 8.118 -11.826 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 709 8.301 -12.641 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.021 -13.725 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 709 8.881 -14.873 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 709 10.732 -14.058 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.496 -12.417 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 709 12.304 -12.960 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.038 -13.531 0.285 1.00 0.00 H new ATOM 0 HE ARG A 709 11.690 -15.692 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 709 13.204 -13.690 1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 709 14.303 -14.970 1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 709 13.105 -17.331 -0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 709 14.247 -17.022 0.563 1.00 0.00 H new ATOM 1010 N MET A 710 5.859 -13.772 -1.076 1.00 0.00 N ATOM 1011 CA MET A 710 4.605 -14.516 -1.101 1.00 0.00 C ATOM 1012 C MET A 710 3.604 -13.862 -2.049 1.00 0.00 C ATOM 1013 O MET A 710 2.655 -14.501 -2.501 1.00 0.00 O ATOM 1014 CB MET A 710 4.011 -14.602 0.306 1.00 0.00 C ATOM 1015 CG MET A 710 4.760 -15.555 1.224 1.00 0.00 C ATOM 1016 SD MET A 710 4.103 -17.233 1.168 1.00 0.00 S ATOM 1017 CE MET A 710 2.653 -17.064 2.206 1.00 0.00 C ATOM 0 H MET A 710 6.024 -13.252 -0.214 1.00 0.00 H new ATOM 0 HA MET A 710 4.815 -15.523 -1.461 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.009 -13.607 0.752 1.00 0.00 H new ATOM 0 HB3 MET A 710 2.971 -14.922 0.234 1.00 0.00 H new ATOM 0 HG2 MET A 710 5.813 -15.572 0.943 1.00 0.00 H new ATOM 0 HG3 MET A 710 4.709 -15.183 2.247 1.00 0.00 H new ATOM 0 HE1 MET A 710 2.717 -17.765 3.038 1.00 0.00 H new ATOM 0 HE2 MET A 710 2.599 -16.046 2.593 1.00 0.00 H new ATOM 0 HE3 MET A 710 1.759 -17.277 1.620 1.00 0.00 H new ATOM 1027 N MET A 711 3.822 -12.584 -2.344 1.00 0.00 N ATOM 1028 CA MET A 711 2.939 -11.845 -3.238 1.00 0.00 C ATOM 1029 C MET A 711 3.667 -11.455 -4.520 1.00 0.00 C ATOM 1030 O MET A 711 3.049 -10.998 -5.481 1.00 0.00 O ATOM 1031 CB MET A 711 2.403 -10.593 -2.541 1.00 0.00 C ATOM 1032 CG MET A 711 1.622 -10.892 -1.272 1.00 0.00 C ATOM 1033 SD MET A 711 0.477 -12.271 -1.470 1.00 0.00 S ATOM 1034 CE MET A 711 -1.056 -11.518 -0.930 1.00 0.00 C ATOM 0 H MET A 711 4.602 -12.039 -1.977 1.00 0.00 H new ATOM 0 HA MET A 711 2.102 -12.493 -3.499 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.239 -9.937 -2.298 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.761 -10.048 -3.233 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.320 -11.117 -0.465 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.066 -10.003 -0.974 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.888 -11.943 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.201 -11.709 0.133 1.00 0.00 H new ATOM 0 HE3 MET A 711 -1.014 -10.443 -1.103 1.00 0.00 H new ATOM 1044 N ASN A 712 4.984 -11.637 -4.527 1.00 0.00 N ATOM 1045 CA ASN A 712 5.796 -11.302 -5.691 1.00 0.00 C ATOM 1046 C ASN A 712 5.318 -12.063 -6.925 1.00 0.00 C ATOM 1047 O ASN A 712 5.561 -13.261 -7.060 1.00 0.00 O ATOM 1048 CB ASN A 712 7.268 -11.620 -5.421 1.00 0.00 C ATOM 1049 CG ASN A 712 8.126 -11.486 -6.664 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.617 -11.259 -7.762 1.00 0.00 O ATOM 1051 ND2 ASN A 712 9.436 -11.627 -6.497 1.00 0.00 N ATOM 0 H ASN A 712 5.511 -12.015 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 712 5.691 -10.234 -5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.646 -10.950 -4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.352 -12.635 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 712 10.064 -11.548 -7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.815 -11.814 -5.569 1.00 0.00 H new ATOM 1058 N GLY A 713 4.637 -11.357 -7.822 1.00 0.00 N ATOM 1059 CA GLY A 713 4.136 -11.982 -9.032 1.00 0.00 C ATOM 1060 C GLY A 713 2.724 -12.509 -8.871 1.00 0.00 C ATOM 1061 O GLY A 713 2.255 -13.305 -9.684 1.00 0.00 O ATOM 0 H GLY A 713 4.423 -10.364 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.160 -11.259 -9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 713 4.797 -12.802 -9.314 1.00 0.00 H new ATOM 1065 N MET A 714 2.045 -12.065 -7.818 1.00 0.00 N ATOM 1066 CA MET A 714 0.678 -12.499 -7.553 1.00 0.00 C ATOM 1067 C MET A 714 -0.256 -12.071 -8.680 1.00 0.00 C ATOM 1068 O MET A 714 -0.671 -10.913 -8.752 1.00 0.00 O ATOM 1069 CB MET A 714 0.187 -11.925 -6.223 1.00 0.00 C ATOM 1070 CG MET A 714 -1.244 -12.310 -5.886 1.00 0.00 C ATOM 1071 SD MET A 714 -1.612 -12.147 -4.128 1.00 0.00 S ATOM 1072 CE MET A 714 -2.036 -10.410 -4.030 1.00 0.00 C ATOM 0 H MET A 714 2.419 -11.406 -7.135 1.00 0.00 H new ATOM 0 HA MET A 714 0.674 -13.587 -7.495 1.00 0.00 H new ATOM 0 HB2 MET A 714 0.844 -12.268 -5.424 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.264 -10.838 -6.255 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.929 -11.682 -6.456 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.422 -13.340 -6.196 1.00 0.00 H new ATOM 0 HE1 MET A 714 -1.925 -10.066 -3.002 1.00 0.00 H new ATOM 0 HE2 MET A 714 -1.373 -9.837 -4.678 1.00 0.00 H new ATOM 0 HE3 MET A 714 -3.068 -10.269 -4.350 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.584 -13.011 -9.560 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.471 -12.732 -10.684 1.00 0.00 C ATOM 1084 C LYS A 715 -2.880 -12.408 -10.198 1.00 0.00 C ATOM 1085 O LYS A 715 -3.642 -13.303 -9.831 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.511 -13.928 -11.637 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.521 -13.825 -12.785 1.00 0.00 C ATOM 1088 CD LYS A 715 -1.133 -13.124 -13.987 1.00 0.00 C ATOM 1089 CE LYS A 715 -1.788 -14.116 -14.936 1.00 0.00 C ATOM 1090 NZ LYS A 715 -2.480 -13.430 -16.063 1.00 0.00 N ATOM 0 H LYS A 715 -0.249 -13.973 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 715 -1.081 -11.864 -11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.307 -14.838 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.518 -14.024 -12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.364 -13.280 -12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.191 -14.823 -13.073 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -1.873 -12.399 -13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -0.360 -12.567 -14.517 1.00 0.00 H new ATOM 0 HE2 LYS A 715 -1.032 -14.793 -15.332 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -2.505 -14.726 -14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -3.442 -13.812 -16.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -2.531 -12.409 -15.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -1.951 -13.589 -16.944 1.00 0.00 H new ATOM 1104 N LEU A 716 -3.221 -11.124 -10.201 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.540 -10.682 -9.762 1.00 0.00 C ATOM 1106 C LEU A 716 -5.449 -10.413 -10.956 1.00 0.00 C ATOM 1107 O LEU A 716 -5.042 -9.778 -11.929 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.417 -9.420 -8.905 1.00 0.00 C ATOM 1109 CG LEU A 716 -4.004 -9.635 -7.449 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.484 -8.340 -6.845 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -5.173 -10.173 -6.636 1.00 0.00 C ATOM 0 H LEU A 716 -2.603 -10.371 -10.502 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.983 -11.478 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.690 -8.756 -9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.376 -8.902 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 716 -3.201 -10.372 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -3.195 -8.512 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.618 -7.997 -7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.266 -7.581 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.860 -10.320 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.997 -9.460 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -5.500 -11.125 -7.055 1.00 0.00 H new ATOM 1123 N SER A 717 -6.684 -10.899 -10.874 1.00 0.00 N ATOM 1124 CA SER A 717 -7.651 -10.712 -11.950 1.00 0.00 C ATOM 1125 C SER A 717 -6.964 -10.749 -13.311 1.00 0.00 C ATOM 1126 O SER A 717 -7.392 -10.084 -14.253 1.00 0.00 O ATOM 1127 CB SER A 717 -8.390 -9.384 -11.775 1.00 0.00 C ATOM 1128 OG SER A 717 -9.569 -9.349 -12.560 1.00 0.00 O ATOM 0 H SER A 717 -7.038 -11.424 -10.075 1.00 0.00 H new ATOM 0 HA SER A 717 -8.371 -11.529 -11.904 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.644 -9.241 -10.725 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.736 -8.560 -12.059 1.00 0.00 H new ATOM 0 HG SER A 717 -9.352 -9.582 -13.487 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.894 -11.533 -13.406 1.00 0.00 N ATOM 1135 CA GLY A 718 -5.164 -11.643 -14.656 1.00 0.00 C ATOM 1136 C GLY A 718 -4.158 -10.524 -14.840 1.00 0.00 C ATOM 1137 O GLY A 718 -4.024 -9.975 -15.933 1.00 0.00 O ATOM 0 H GLY A 718 -5.520 -12.093 -12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.646 -12.602 -14.688 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.869 -11.634 -15.487 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.451 -10.184 -13.767 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.455 -9.120 -13.815 1.00 0.00 C ATOM 1143 C ARG A 719 -1.353 -9.361 -12.788 1.00 0.00 C ATOM 1144 O ARG A 719 -1.608 -9.387 -11.584 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.114 -7.763 -13.563 1.00 0.00 C ATOM 1146 CG ARG A 719 -3.586 -7.071 -14.831 1.00 0.00 C ATOM 1147 CD ARG A 719 -4.747 -6.130 -14.552 1.00 0.00 C ATOM 1148 NE ARG A 719 -4.791 -5.019 -15.499 1.00 0.00 N ATOM 1149 CZ ARG A 719 -3.837 -4.099 -15.598 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -2.771 -4.158 -14.812 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -3.949 -3.118 -16.484 1.00 0.00 N ATOM 0 H ARG A 719 -3.549 -10.629 -12.855 1.00 0.00 H new ATOM 0 HA ARG A 719 -2.008 -9.120 -14.809 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.965 -7.900 -12.896 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.406 -7.115 -13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -2.760 -6.512 -15.271 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -3.890 -7.819 -15.563 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -5.684 -6.685 -14.601 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -4.661 -5.739 -13.538 1.00 0.00 H new ATOM 0 HE ARG A 719 -5.598 -4.945 -16.118 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -2.682 -4.911 -14.129 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -2.040 -3.451 -14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -4.768 -3.069 -17.090 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -3.216 -2.412 -16.559 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.127 -9.538 -13.272 1.00 0.00 N ATOM 1166 CA GLU A 720 1.013 -9.778 -12.395 1.00 0.00 C ATOM 1167 C GLU A 720 1.410 -8.503 -11.657 1.00 0.00 C ATOM 1168 O GLU A 720 1.652 -7.466 -12.275 1.00 0.00 O ATOM 1169 CB GLU A 720 2.202 -10.306 -13.200 1.00 0.00 C ATOM 1170 CG GLU A 720 2.259 -11.822 -13.279 1.00 0.00 C ATOM 1171 CD GLU A 720 3.616 -12.333 -13.724 1.00 0.00 C ATOM 1172 OE1 GLU A 720 4.618 -12.016 -13.050 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.675 -13.049 -14.745 1.00 0.00 O ATOM 0 H GLU A 720 0.102 -9.520 -14.266 1.00 0.00 H new ATOM 0 HA GLU A 720 0.721 -10.527 -11.659 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.155 -9.900 -14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.125 -9.939 -12.751 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.019 -12.242 -12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.497 -12.175 -13.974 1.00 0.00 H new ATOM 1180 N ILE A 721 1.474 -8.588 -10.333 1.00 0.00 N ATOM 1181 CA ILE A 721 1.842 -7.442 -9.511 1.00 0.00 C ATOM 1182 C ILE A 721 3.304 -7.518 -9.084 1.00 0.00 C ATOM 1183 O ILE A 721 3.891 -8.599 -9.033 1.00 0.00 O ATOM 1184 CB ILE A 721 0.957 -7.343 -8.255 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.146 -8.578 -7.371 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.504 -7.185 -8.648 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.575 -8.419 -5.980 1.00 0.00 C ATOM 0 H ILE A 721 1.276 -9.439 -9.806 1.00 0.00 H new ATOM 0 HA ILE A 721 1.691 -6.553 -10.123 1.00 0.00 H new ATOM 0 HB ILE A 721 1.258 -6.463 -7.686 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.675 -9.435 -7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.210 -8.801 -7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.117 -7.116 -7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.625 -6.278 -9.240 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.818 -8.047 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.745 -9.332 -5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 721 1.063 -7.583 -5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.496 -8.227 -6.046 1.00 0.00 H new ATOM 1199 N ASP A 722 3.886 -6.364 -8.776 1.00 0.00 N ATOM 1200 CA ASP A 722 5.279 -6.300 -8.350 1.00 0.00 C ATOM 1201 C ASP A 722 5.380 -5.918 -6.877 1.00 0.00 C ATOM 1202 O ASP A 722 5.213 -4.754 -6.514 1.00 0.00 O ATOM 1203 CB ASP A 722 6.050 -5.293 -9.205 1.00 0.00 C ATOM 1204 CG ASP A 722 6.562 -5.901 -10.496 1.00 0.00 C ATOM 1205 OD1 ASP A 722 6.834 -7.120 -10.511 1.00 0.00 O ATOM 1206 OD2 ASP A 722 6.690 -5.158 -11.491 1.00 0.00 O ATOM 0 H ASP A 722 3.415 -5.460 -8.813 1.00 0.00 H new ATOM 0 HA ASP A 722 5.719 -7.289 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.403 -4.447 -9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 722 6.891 -4.903 -8.632 1.00 0.00 H new ATOM 1211 N VAL A 723 5.653 -6.907 -6.031 1.00 0.00 N ATOM 1212 CA VAL A 723 5.776 -6.675 -4.597 1.00 0.00 C ATOM 1213 C VAL A 723 7.237 -6.681 -4.163 1.00 0.00 C ATOM 1214 O VAL A 723 7.995 -7.586 -4.512 1.00 0.00 O ATOM 1215 CB VAL A 723 5.007 -7.736 -3.789 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.792 -7.267 -2.358 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.679 -8.057 -4.458 1.00 0.00 C ATOM 0 H VAL A 723 5.793 -7.877 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 723 5.345 -5.694 -4.397 1.00 0.00 H new ATOM 0 HB VAL A 723 5.604 -8.648 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.247 -8.030 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.758 -7.093 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.217 -6.341 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.149 -8.809 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 723 3.074 -7.152 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.861 -8.440 -5.462 1.00 0.00 H new ATOM 1227 N ARG A 724 7.626 -5.665 -3.399 1.00 0.00 N ATOM 1228 CA ARG A 724 8.997 -5.553 -2.917 1.00 0.00 C ATOM 1229 C ARG A 724 9.067 -4.662 -1.680 1.00 0.00 C ATOM 1230 O ARG A 724 8.154 -3.879 -1.414 1.00 0.00 O ATOM 1231 CB ARG A 724 9.902 -4.992 -4.015 1.00 0.00 C ATOM 1232 CG ARG A 724 10.238 -6.000 -5.102 1.00 0.00 C ATOM 1233 CD ARG A 724 11.422 -5.543 -5.939 1.00 0.00 C ATOM 1234 NE ARG A 724 11.010 -4.695 -7.055 1.00 0.00 N ATOM 1235 CZ ARG A 724 10.266 -5.125 -8.068 1.00 0.00 C ATOM 1236 NH1 ARG A 724 9.855 -6.385 -8.105 1.00 0.00 N ATOM 1237 NH2 ARG A 724 9.931 -4.294 -9.046 1.00 0.00 N ATOM 0 H ARG A 724 7.011 -4.908 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 724 9.343 -6.550 -2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 724 9.415 -4.129 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.828 -4.635 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 724 10.463 -6.965 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 724 9.370 -6.145 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 724 12.122 -4.996 -5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 724 11.952 -6.415 -6.323 1.00 0.00 H new ATOM 0 HE ARG A 724 11.310 -3.720 -7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 724 10.110 -7.027 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 724 9.284 -6.712 -8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 724 10.245 -3.324 -9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 724 9.360 -4.625 -9.823 1.00 0.00 H new ATOM 1251 N ILE A 725 10.156 -4.787 -0.928 1.00 0.00 N ATOM 1252 CA ILE A 725 10.345 -3.993 0.279 1.00 0.00 C ATOM 1253 C ILE A 725 10.355 -2.502 -0.039 1.00 0.00 C ATOM 1254 O ILE A 725 11.054 -2.055 -0.949 1.00 0.00 O ATOM 1255 CB ILE A 725 11.657 -4.362 0.996 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.530 -5.732 1.666 1.00 0.00 C ATOM 1257 CG2 ILE A 725 12.019 -3.297 2.020 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.440 -5.793 2.713 1.00 0.00 C ATOM 0 H ILE A 725 10.920 -5.431 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 725 9.505 -4.216 0.937 1.00 0.00 H new ATOM 0 HB ILE A 725 12.456 -4.413 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.332 -6.484 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.482 -5.991 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.949 -3.572 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 725 12.147 -2.338 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 725 11.222 -3.217 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.407 -6.793 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.647 -5.065 3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.479 -5.566 2.252 1.00 0.00 H new ATOM 1270 N ASP A 726 9.576 -1.736 0.716 1.00 0.00 N ATOM 1271 CA ASP A 726 9.497 -0.293 0.517 1.00 0.00 C ATOM 1272 C ASP A 726 10.685 0.411 1.164 1.00 0.00 C ATOM 1273 O ASP A 726 10.766 0.514 2.388 1.00 0.00 O ATOM 1274 CB ASP A 726 8.189 0.252 1.093 1.00 0.00 C ATOM 1275 CG ASP A 726 7.806 1.591 0.494 1.00 0.00 C ATOM 1276 OD1 ASP A 726 8.617 2.536 0.587 1.00 0.00 O ATOM 1277 OD2 ASP A 726 6.695 1.694 -0.067 1.00 0.00 O ATOM 0 H ASP A 726 8.990 -2.090 1.472 1.00 0.00 H new ATOM 0 HA ASP A 726 9.522 -0.097 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.389 -0.466 0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.286 0.355 2.174 1.00 0.00 H new