USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 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 160:sc= -2.5! (180deg=-2.29!) USER MOD Set 1.2: A 714 MET CE :methyl 135:sc= -0.991 (180deg=-3.01!) USER MOD Set 2.1: A 680 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 673 ASN :FLIP amide:sc= -0.93 F(o=-2.3,f=-0.93) USER MOD Single : A 652 CYS SG : rot 180:sc= -1.63 USER MOD Single : A 653 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.22) USER MOD Single : A 658 ASN :FLIP amide:sc= -0.709 F(o=-1.4,f=-0.71) USER MOD Single : A 664 THR OG1 : rot 180:sc= 0 USER MOD Single : A 666 LYS NZ :NH3+ 156:sc= -0.0876 (180deg=-0.51) USER MOD Single : A 667 MET CE :methyl 133:sc= 0 (180deg=-1.13) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 CYS SG : rot 74:sc= -3.59! USER MOD Single : A 677 HIS :FLIP no HD1:sc= -3.3! C(o=-4.3!,f=-3.3!) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 180:sc= -2.02 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 54:sc= -0.687 USER MOD Single : A 710 MET CE :methyl 153:sc= -0.353 (180deg=-1.04) USER MOD Single : A 712 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.32) USER MOD Single : A 715 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 717 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.141 -3.395 7.342 1.00 0.00 N ATOM 77 CA CYS A 652 7.789 -3.771 7.740 1.00 0.00 C ATOM 78 C CYS A 652 6.778 -3.382 6.666 1.00 0.00 C ATOM 79 O CYS A 652 5.789 -4.082 6.448 1.00 0.00 O ATOM 80 CB CYS A 652 7.422 -3.106 9.067 1.00 0.00 C ATOM 81 SG CYS A 652 8.302 -3.777 10.497 1.00 0.00 S ATOM 0 HA CYS A 652 7.761 -4.854 7.865 1.00 0.00 H new ATOM 0 HB2 CYS A 652 7.628 -2.038 8.995 1.00 0.00 H new ATOM 0 HB3 CYS A 652 6.350 -3.213 9.231 1.00 0.00 H new ATOM 0 HG CYS A 652 7.926 -3.149 11.572 1.00 0.00 H new ATOM 87 N GLN A 653 7.033 -2.260 5.999 1.00 0.00 N ATOM 88 CA GLN A 653 6.143 -1.777 4.950 1.00 0.00 C ATOM 89 C GLN A 653 6.621 -2.237 3.577 1.00 0.00 C ATOM 90 O GLN A 653 7.819 -2.421 3.356 1.00 0.00 O ATOM 91 CB GLN A 653 6.056 -0.250 4.988 1.00 0.00 C ATOM 92 CG GLN A 653 4.891 0.313 4.191 1.00 0.00 C ATOM 93 CD GLN A 653 4.888 1.829 4.155 1.00 0.00 C ATOM 94 OE1 GLN A 653 5.155 2.486 5.161 1.00 0.00 O ATOM 95 NE2 GLN A 653 4.583 2.393 2.992 1.00 0.00 N ATOM 0 H GLN A 653 7.848 -1.670 6.167 1.00 0.00 H new ATOM 0 HA GLN A 653 5.152 -2.194 5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.967 0.075 6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 653 6.985 0.168 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 653 4.934 -0.071 3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 653 3.955 -0.038 4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 653 4.368 1.810 2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.564 3.409 2.908 1.00 0.00 H new ATOM 104 N ILE A 654 5.679 -2.420 2.658 1.00 0.00 N ATOM 105 CA ILE A 654 6.005 -2.857 1.306 1.00 0.00 C ATOM 106 C ILE A 654 5.238 -2.048 0.267 1.00 0.00 C ATOM 107 O ILE A 654 4.412 -1.201 0.609 1.00 0.00 O ATOM 108 CB ILE A 654 5.695 -4.353 1.108 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.198 -4.614 1.294 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.510 -5.196 2.077 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.742 -5.941 0.730 1.00 0.00 C ATOM 0 H ILE A 654 4.684 -2.272 2.825 1.00 0.00 H new ATOM 0 HA ILE A 654 7.074 -2.695 1.171 1.00 0.00 H new ATOM 0 HB ILE A 654 5.971 -4.635 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.961 -4.579 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.635 -3.812 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.280 -6.250 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.572 -5.028 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.263 -4.915 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.671 -6.059 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.948 -5.972 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.278 -6.750 1.226 1.00 0.00 H new ATOM 123 N PHE A 655 5.514 -2.315 -1.005 1.00 0.00 N ATOM 124 CA PHE A 655 4.849 -1.612 -2.096 1.00 0.00 C ATOM 125 C PHE A 655 4.330 -2.596 -3.141 1.00 0.00 C ATOM 126 O PHE A 655 4.966 -3.612 -3.423 1.00 0.00 O ATOM 127 CB PHE A 655 5.810 -0.617 -2.750 1.00 0.00 C ATOM 128 CG PHE A 655 5.116 0.545 -3.402 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.701 1.632 -2.649 1.00 0.00 C ATOM 130 CD2 PHE A 655 4.880 0.551 -4.767 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.063 2.703 -3.246 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.243 1.619 -5.369 1.00 0.00 C ATOM 133 CZ PHE A 655 3.832 2.696 -4.608 1.00 0.00 C ATOM 0 H PHE A 655 6.194 -3.013 -1.306 1.00 0.00 H new ATOM 0 HA PHE A 655 4.000 -1.068 -1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.500 -0.241 -1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.408 -1.139 -3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 655 4.878 1.642 -1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.198 -0.289 -5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 655 3.745 3.545 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.066 1.612 -6.434 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.331 3.530 -5.077 1.00 0.00 H new ATOM 143 N VAL A 656 3.170 -2.287 -3.711 1.00 0.00 N ATOM 144 CA VAL A 656 2.565 -3.143 -4.725 1.00 0.00 C ATOM 145 C VAL A 656 2.163 -2.338 -5.955 1.00 0.00 C ATOM 146 O VAL A 656 1.764 -1.178 -5.848 1.00 0.00 O ATOM 147 CB VAL A 656 1.324 -3.873 -4.175 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.885 -4.973 -5.130 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.608 -4.438 -2.792 1.00 0.00 C ATOM 0 H VAL A 656 2.630 -1.451 -3.488 1.00 0.00 H new ATOM 0 HA VAL A 656 3.317 -3.880 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 656 0.509 -3.154 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 656 0.008 -5.477 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.639 -4.537 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.694 -5.693 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.721 -4.950 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.437 -5.144 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.870 -3.626 -2.114 1.00 0.00 H new ATOM 159 N ARG A 657 2.272 -2.960 -7.125 1.00 0.00 N ATOM 160 CA ARG A 657 1.921 -2.301 -8.377 1.00 0.00 C ATOM 161 C ARG A 657 1.116 -3.235 -9.276 1.00 0.00 C ATOM 162 O ARG A 657 1.013 -4.432 -9.010 1.00 0.00 O ATOM 163 CB ARG A 657 3.184 -1.838 -9.105 1.00 0.00 C ATOM 164 CG ARG A 657 3.875 -0.661 -8.436 1.00 0.00 C ATOM 165 CD ARG A 657 5.259 -0.422 -9.021 1.00 0.00 C ATOM 166 NE ARG A 657 5.797 0.880 -8.638 1.00 0.00 N ATOM 167 CZ ARG A 657 7.051 1.253 -8.867 1.00 0.00 C ATOM 168 NH1 ARG A 657 7.892 0.427 -9.475 1.00 0.00 N ATOM 169 NH2 ARG A 657 7.467 2.455 -8.488 1.00 0.00 N ATOM 0 H ARG A 657 2.601 -3.920 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 657 1.306 -1.432 -8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.883 -2.672 -9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.924 -1.563 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.268 0.236 -8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 657 3.958 -0.847 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.936 -1.207 -8.684 1.00 0.00 H new ATOM 0 HD3 ARG A 657 5.210 -0.488 -10.108 1.00 0.00 H new ATOM 0 HE ARG A 657 5.176 1.539 -8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 657 7.576 -0.498 -9.768 1.00 0.00 H new ATOM 0 HH12 ARG A 657 8.854 0.716 -9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 657 6.823 3.093 -8.020 1.00 0.00 H new ATOM 0 HH22 ARG A 657 8.430 2.740 -8.664 1.00 0.00 H new ATOM 183 N ASN A 658 0.547 -2.679 -10.340 1.00 0.00 N ATOM 184 CA ASN A 658 -0.249 -3.462 -11.278 1.00 0.00 C ATOM 185 C ASN A 658 -1.442 -4.104 -10.575 1.00 0.00 C ATOM 186 O ASN A 658 -1.711 -5.294 -10.747 1.00 0.00 O ATOM 187 CB ASN A 658 0.613 -4.542 -11.934 1.00 0.00 C ATOM 188 CG ASN A 658 0.146 -4.882 -13.336 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.203 -6.145 -13.553 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 0.099 -4.020 -14.213 1.00 0.00 N flip ATOM 0 H ASN A 658 0.622 -1.689 -10.574 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.623 -2.788 -12.049 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.649 -4.204 -11.971 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.593 -5.442 -11.319 1.00 0.00 H new ATOM 0 HD21 ASN A 658 0.377 -3.062 -14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 658 -0.218 -4.264 -15.151 1.00 0.00 H new ATOM 197 N LEU A 659 -2.153 -3.309 -9.784 1.00 0.00 N ATOM 198 CA LEU A 659 -3.318 -3.799 -9.055 1.00 0.00 C ATOM 199 C LEU A 659 -4.602 -3.519 -9.829 1.00 0.00 C ATOM 200 O LEU A 659 -4.749 -2.487 -10.484 1.00 0.00 O ATOM 201 CB LEU A 659 -3.390 -3.148 -7.672 1.00 0.00 C ATOM 202 CG LEU A 659 -2.337 -3.601 -6.661 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.254 -2.621 -5.501 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.650 -5.002 -6.157 1.00 0.00 C ATOM 0 H LEU A 659 -1.944 -2.323 -9.631 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.215 -4.878 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.305 -2.068 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.376 -3.344 -7.251 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.368 -3.624 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.499 -2.960 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -1.982 -1.635 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.222 -2.565 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -1.890 -5.308 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.628 -5.005 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.657 -5.698 -6.996 1.00 0.00 H new ATOM 216 N PRO A 660 -5.556 -4.459 -9.751 1.00 0.00 N ATOM 217 CA PRO A 660 -6.847 -4.335 -10.436 1.00 0.00 C ATOM 218 C PRO A 660 -7.493 -2.972 -10.213 1.00 0.00 C ATOM 219 O PRO A 660 -7.369 -2.383 -9.138 1.00 0.00 O ATOM 220 CB PRO A 660 -7.694 -5.439 -9.800 1.00 0.00 C ATOM 221 CG PRO A 660 -6.706 -6.453 -9.333 1.00 0.00 C ATOM 222 CD PRO A 660 -5.450 -5.714 -8.989 1.00 0.00 C ATOM 0 HA PRO A 660 -6.745 -4.427 -11.517 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.288 -5.054 -8.971 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.391 -5.868 -10.520 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.087 -6.991 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.517 -7.194 -10.110 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.378 -5.526 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.563 -6.280 -9.273 1.00 0.00 H new ATOM 230 N PHE A 661 -8.184 -2.475 -11.233 1.00 0.00 N ATOM 231 CA PHE A 661 -8.850 -1.181 -11.148 1.00 0.00 C ATOM 232 C PHE A 661 -9.916 -1.188 -10.057 1.00 0.00 C ATOM 233 O PHE A 661 -10.160 -0.172 -9.406 1.00 0.00 O ATOM 234 CB PHE A 661 -9.484 -0.820 -12.493 1.00 0.00 C ATOM 235 CG PHE A 661 -8.510 -0.237 -13.478 1.00 0.00 C ATOM 236 CD1 PHE A 661 -7.830 0.935 -13.188 1.00 0.00 C ATOM 237 CD2 PHE A 661 -8.276 -0.860 -14.692 1.00 0.00 C ATOM 238 CE1 PHE A 661 -6.934 1.474 -14.092 1.00 0.00 C ATOM 239 CE2 PHE A 661 -7.381 -0.326 -15.600 1.00 0.00 C ATOM 240 CZ PHE A 661 -6.709 0.842 -15.299 1.00 0.00 C ATOM 0 H PHE A 661 -8.297 -2.949 -12.129 1.00 0.00 H new ATOM 0 HA PHE A 661 -8.100 -0.431 -10.894 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -9.934 -1.714 -12.925 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.290 -0.106 -12.326 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -8.002 1.433 -12.245 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -8.799 -1.774 -14.932 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -6.411 2.388 -13.855 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -7.208 -0.822 -16.544 1.00 0.00 H new ATOM 0 HZ PHE A 661 -6.009 1.261 -16.006 1.00 0.00 H new ATOM 250 N ASP A 662 -10.547 -2.341 -9.863 1.00 0.00 N ATOM 251 CA ASP A 662 -11.587 -2.482 -8.850 1.00 0.00 C ATOM 252 C ASP A 662 -10.988 -2.898 -7.511 1.00 0.00 C ATOM 253 O ASP A 662 -11.712 -3.210 -6.565 1.00 0.00 O ATOM 254 CB ASP A 662 -12.629 -3.509 -9.298 1.00 0.00 C ATOM 255 CG ASP A 662 -13.785 -3.623 -8.324 1.00 0.00 C ATOM 256 OD1 ASP A 662 -14.582 -2.665 -8.233 1.00 0.00 O ATOM 257 OD2 ASP A 662 -13.894 -4.670 -7.653 1.00 0.00 O ATOM 0 H ASP A 662 -10.357 -3.191 -10.393 1.00 0.00 H new ATOM 0 HA ASP A 662 -12.072 -1.514 -8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -13.011 -3.230 -10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -12.152 -4.483 -9.407 1.00 0.00 H new ATOM 262 N PHE A 663 -9.661 -2.901 -7.437 1.00 0.00 N ATOM 263 CA PHE A 663 -8.964 -3.281 -6.214 1.00 0.00 C ATOM 264 C PHE A 663 -9.072 -2.181 -5.162 1.00 0.00 C ATOM 265 O PHE A 663 -8.542 -1.083 -5.338 1.00 0.00 O ATOM 266 CB PHE A 663 -7.492 -3.576 -6.511 1.00 0.00 C ATOM 267 CG PHE A 663 -6.888 -4.597 -5.590 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.455 -5.855 -5.462 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.753 -4.300 -4.854 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.901 -6.797 -4.616 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.194 -5.238 -4.006 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.769 -6.488 -3.887 1.00 0.00 C ATOM 0 H PHE A 663 -9.047 -2.644 -8.210 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.436 -4.182 -5.822 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.400 -3.926 -7.539 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.922 -2.650 -6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.340 -6.102 -6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.299 -3.324 -4.944 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.353 -7.774 -4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.309 -4.994 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.334 -7.223 -3.225 1.00 0.00 H new ATOM 282 N THR A 664 -9.764 -2.482 -4.068 1.00 0.00 N ATOM 283 CA THR A 664 -9.944 -1.520 -2.988 1.00 0.00 C ATOM 284 C THR A 664 -8.977 -1.792 -1.841 1.00 0.00 C ATOM 285 O THR A 664 -8.363 -2.857 -1.775 1.00 0.00 O ATOM 286 CB THR A 664 -11.386 -1.546 -2.446 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.724 -2.870 -2.019 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.371 -1.083 -3.508 1.00 0.00 C ATOM 0 H THR A 664 -10.209 -3.385 -3.906 1.00 0.00 H new ATOM 0 HA THR A 664 -9.739 -0.535 -3.406 1.00 0.00 H new ATOM 0 HB THR A 664 -11.445 -0.865 -1.597 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.641 -2.878 -1.674 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.382 -1.110 -3.103 1.00 0.00 H new ATOM 0 HG22 THR A 664 -12.128 -0.064 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.310 -1.743 -4.374 1.00 0.00 H new ATOM 296 N TRP A 665 -8.848 -0.825 -0.941 1.00 0.00 N ATOM 297 CA TRP A 665 -7.955 -0.962 0.205 1.00 0.00 C ATOM 298 C TRP A 665 -8.293 -2.211 1.012 1.00 0.00 C ATOM 299 O TRP A 665 -7.408 -2.984 1.379 1.00 0.00 O ATOM 300 CB TRP A 665 -8.044 0.277 1.097 1.00 0.00 C ATOM 301 CG TRP A 665 -9.237 0.272 2.004 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.382 1.001 1.856 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.400 -0.498 3.200 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.248 0.730 2.888 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.670 -0.187 3.726 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.600 -1.422 3.877 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -11.153 -0.766 4.896 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -9.081 -1.996 5.039 1.00 0.00 C ATOM 309 CH2 TRP A 665 -10.348 -1.667 5.538 1.00 0.00 C ATOM 0 H TRP A 665 -9.350 0.062 -0.982 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.936 -1.059 -0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.139 0.348 1.700 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.078 1.167 0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.578 1.689 1.047 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.172 1.145 3.010 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.623 -1.683 3.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -12.129 -0.513 5.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.470 -2.710 5.571 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.696 -2.134 6.448 1.00 0.00 H new ATOM 320 N LYS A 666 -9.579 -2.403 1.286 1.00 0.00 N ATOM 321 CA LYS A 666 -10.036 -3.559 2.048 1.00 0.00 C ATOM 322 C LYS A 666 -9.426 -4.846 1.502 1.00 0.00 C ATOM 323 O LYS A 666 -8.835 -5.628 2.246 1.00 0.00 O ATOM 324 CB LYS A 666 -11.563 -3.649 2.012 1.00 0.00 C ATOM 325 CG LYS A 666 -12.123 -4.803 2.825 1.00 0.00 C ATOM 326 CD LYS A 666 -12.035 -4.529 4.317 1.00 0.00 C ATOM 327 CE LYS A 666 -13.245 -3.753 4.814 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.497 -4.552 4.711 1.00 0.00 N ATOM 0 H LYS A 666 -10.324 -1.772 0.991 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.711 -3.434 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.983 -2.715 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.888 -3.753 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.163 -4.975 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.575 -5.715 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -11.960 -5.473 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -11.127 -3.965 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -13.086 -3.459 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.351 -2.836 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -15.194 -4.195 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -14.883 -4.470 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -14.290 -5.550 4.917 1.00 0.00 H new ATOM 342 N MET A 667 -9.573 -5.058 0.198 1.00 0.00 N ATOM 343 CA MET A 667 -9.034 -6.250 -0.447 1.00 0.00 C ATOM 344 C MET A 667 -7.518 -6.315 -0.289 1.00 0.00 C ATOM 345 O MET A 667 -6.977 -7.308 0.200 1.00 0.00 O ATOM 346 CB MET A 667 -9.405 -6.264 -1.931 1.00 0.00 C ATOM 347 CG MET A 667 -10.770 -6.871 -2.210 1.00 0.00 C ATOM 348 SD MET A 667 -10.865 -7.651 -3.834 1.00 0.00 S ATOM 349 CE MET A 667 -11.254 -6.239 -4.865 1.00 0.00 C ATOM 0 H MET A 667 -10.060 -4.421 -0.432 1.00 0.00 H new ATOM 0 HA MET A 667 -9.470 -7.124 0.037 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.386 -5.243 -2.312 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.648 -6.823 -2.481 1.00 0.00 H new ATOM 0 HG2 MET A 667 -10.998 -7.610 -1.442 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.530 -6.093 -2.140 1.00 0.00 H new ATOM 0 HE1 MET A 667 -10.608 -6.240 -5.743 1.00 0.00 H new ATOM 0 HE2 MET A 667 -12.296 -6.295 -5.181 1.00 0.00 H new ATOM 0 HE3 MET A 667 -11.095 -5.321 -4.299 1.00 0.00 H new ATOM 359 N LEU A 668 -6.838 -5.253 -0.706 1.00 0.00 N ATOM 360 CA LEU A 668 -5.384 -5.190 -0.611 1.00 0.00 C ATOM 361 C LEU A 668 -4.907 -5.653 0.761 1.00 0.00 C ATOM 362 O LEU A 668 -3.963 -6.436 0.872 1.00 0.00 O ATOM 363 CB LEU A 668 -4.897 -3.765 -0.879 1.00 0.00 C ATOM 364 CG LEU A 668 -3.444 -3.471 -0.506 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.495 -4.255 -1.399 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.159 -1.979 -0.603 1.00 0.00 C ATOM 0 H LEU A 668 -7.270 -4.424 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 668 -4.966 -5.858 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.029 -3.551 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.538 -3.074 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.284 -3.785 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.465 -4.033 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.682 -5.322 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.657 -3.972 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.120 -1.789 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.337 -1.640 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.815 -1.438 0.079 1.00 0.00 H new ATOM 378 N LYS A 669 -5.568 -5.167 1.807 1.00 0.00 N ATOM 379 CA LYS A 669 -5.215 -5.532 3.173 1.00 0.00 C ATOM 380 C LYS A 669 -5.451 -7.020 3.416 1.00 0.00 C ATOM 381 O LYS A 669 -4.505 -7.806 3.477 1.00 0.00 O ATOM 382 CB LYS A 669 -6.031 -4.707 4.171 1.00 0.00 C ATOM 383 CG LYS A 669 -5.905 -5.188 5.606 1.00 0.00 C ATOM 384 CD LYS A 669 -6.726 -4.332 6.555 1.00 0.00 C ATOM 385 CE LYS A 669 -6.241 -4.470 7.991 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.888 -5.617 8.687 1.00 0.00 N ATOM 0 H LYS A 669 -6.352 -4.519 1.734 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.155 -5.321 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.711 -3.666 4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.081 -4.734 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.234 -6.225 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -4.858 -5.165 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -6.667 -3.288 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.775 -4.623 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -5.159 -4.604 7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -6.451 -3.549 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.531 -5.677 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.918 -5.477 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -6.667 -6.499 8.182 1.00 0.00 H new ATOM 400 N ASP A 670 -6.716 -7.399 3.553 1.00 0.00 N ATOM 401 CA ASP A 670 -7.076 -8.793 3.787 1.00 0.00 C ATOM 402 C ASP A 670 -6.314 -9.717 2.841 1.00 0.00 C ATOM 403 O ASP A 670 -6.157 -10.908 3.111 1.00 0.00 O ATOM 404 CB ASP A 670 -8.582 -8.990 3.610 1.00 0.00 C ATOM 405 CG ASP A 670 -8.950 -10.438 3.352 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.590 -11.299 4.182 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.599 -10.710 2.320 1.00 0.00 O ATOM 0 H ASP A 670 -7.510 -6.761 3.506 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.803 -9.046 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.099 -8.641 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.931 -8.376 2.780 1.00 0.00 H new ATOM 412 N LYS A 671 -5.844 -9.160 1.730 1.00 0.00 N ATOM 413 CA LYS A 671 -5.098 -9.932 0.743 1.00 0.00 C ATOM 414 C LYS A 671 -3.711 -10.289 1.267 1.00 0.00 C ATOM 415 O LYS A 671 -3.267 -11.431 1.146 1.00 0.00 O ATOM 416 CB LYS A 671 -4.975 -9.144 -0.563 1.00 0.00 C ATOM 417 CG LYS A 671 -4.116 -9.832 -1.610 1.00 0.00 C ATOM 418 CD LYS A 671 -4.843 -11.006 -2.243 1.00 0.00 C ATOM 419 CE LYS A 671 -5.870 -10.541 -3.265 1.00 0.00 C ATOM 420 NZ LYS A 671 -6.992 -11.509 -3.404 1.00 0.00 N ATOM 0 H LYS A 671 -5.967 -8.176 1.490 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.644 -10.856 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -5.971 -8.980 -0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.553 -8.162 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -3.839 -9.115 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.191 -10.180 -1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -4.121 -11.665 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -5.339 -11.589 -1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -6.264 -9.569 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -5.385 -10.406 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -7.670 -11.156 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -6.620 -12.430 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -7.471 -11.619 -2.488 1.00 0.00 H new ATOM 434 N PHE A 672 -3.032 -9.307 1.850 1.00 0.00 N ATOM 435 CA PHE A 672 -1.696 -9.519 2.393 1.00 0.00 C ATOM 436 C PHE A 672 -1.767 -10.085 3.808 1.00 0.00 C ATOM 437 O PHE A 672 -0.753 -10.483 4.380 1.00 0.00 O ATOM 438 CB PHE A 672 -0.909 -8.207 2.395 1.00 0.00 C ATOM 439 CG PHE A 672 -0.219 -7.919 1.092 1.00 0.00 C ATOM 440 CD1 PHE A 672 -0.912 -7.343 0.039 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.122 -8.223 0.921 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.279 -7.078 -1.161 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.759 -7.960 -0.277 1.00 0.00 C ATOM 444 CZ PHE A 672 1.058 -7.386 -1.319 1.00 0.00 C ATOM 0 H PHE A 672 -3.385 -8.356 1.958 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.183 -10.241 1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.588 -7.386 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.165 -8.240 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -1.957 -7.099 0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.676 -8.671 1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -0.830 -6.630 -1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.804 -8.203 -0.398 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.554 -7.178 -2.256 1.00 0.00 H new ATOM 454 N ASN A 673 -2.972 -10.116 4.366 1.00 0.00 N ATOM 455 CA ASN A 673 -3.177 -10.632 5.715 1.00 0.00 C ATOM 456 C ASN A 673 -2.714 -12.083 5.819 1.00 0.00 C ATOM 457 O ASN A 673 -2.282 -12.532 6.880 1.00 0.00 O ATOM 458 CB ASN A 673 -4.652 -10.526 6.106 1.00 0.00 C ATOM 459 CG ASN A 673 -4.979 -9.207 6.778 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.648 -8.106 6.112 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.522 -9.177 7.882 1.00 0.00 N flip ATOM 0 H ASN A 673 -3.822 -9.790 3.905 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.582 -10.029 6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.270 -10.640 5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -4.907 -11.346 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -5.759 -10.048 8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -5.735 -8.281 8.321 1.00 0.00 H new ATOM 468 N GLU A 674 -2.809 -12.809 4.709 1.00 0.00 N ATOM 469 CA GLU A 674 -2.401 -14.208 4.676 1.00 0.00 C ATOM 470 C GLU A 674 -1.014 -14.385 5.287 1.00 0.00 C ATOM 471 O GLU A 674 -0.777 -15.318 6.056 1.00 0.00 O ATOM 472 CB GLU A 674 -2.406 -14.730 3.238 1.00 0.00 C ATOM 473 CG GLU A 674 -3.799 -14.995 2.692 1.00 0.00 C ATOM 474 CD GLU A 674 -4.602 -15.934 3.571 1.00 0.00 C ATOM 475 OE1 GLU A 674 -4.010 -16.896 4.106 1.00 0.00 O ATOM 476 OE2 GLU A 674 -5.820 -15.709 3.724 1.00 0.00 O ATOM 0 H GLU A 674 -3.164 -12.452 3.822 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.116 -14.782 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -1.905 -14.006 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -1.826 -15.652 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.333 -14.050 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -3.718 -15.420 1.692 1.00 0.00 H new ATOM 483 N CYS A 675 -0.102 -13.484 4.940 1.00 0.00 N ATOM 484 CA CYS A 675 1.263 -13.540 5.453 1.00 0.00 C ATOM 485 C CYS A 675 1.290 -13.279 6.956 1.00 0.00 C ATOM 486 O CYS A 675 1.693 -14.138 7.738 1.00 0.00 O ATOM 487 CB CYS A 675 2.144 -12.521 4.730 1.00 0.00 C ATOM 488 SG CYS A 675 3.914 -12.726 5.036 1.00 0.00 S ATOM 0 H CYS A 675 -0.282 -12.706 4.306 1.00 0.00 H new ATOM 0 HA CYS A 675 1.653 -14.541 5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.961 -12.594 3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 675 1.847 -11.518 5.036 1.00 0.00 H new ATOM 0 HG CYS A 675 4.349 -13.765 4.387 1.00 0.00 H new ATOM 494 N GLY A 676 0.859 -12.085 7.352 1.00 0.00 N ATOM 495 CA GLY A 676 0.844 -11.731 8.759 1.00 0.00 C ATOM 496 C GLY A 676 -0.298 -10.797 9.110 1.00 0.00 C ATOM 497 O GLY A 676 -1.368 -10.859 8.504 1.00 0.00 O ATOM 0 H GLY A 676 0.520 -11.357 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.764 -12.638 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.790 -11.258 9.022 1.00 0.00 H new ATOM 501 N HIS A 677 -0.071 -9.930 10.091 1.00 0.00 N ATOM 502 CA HIS A 677 -1.089 -8.979 10.523 1.00 0.00 C ATOM 503 C HIS A 677 -0.856 -7.609 9.893 1.00 0.00 C ATOM 504 O HIS A 677 0.006 -6.850 10.336 1.00 0.00 O ATOM 505 CB HIS A 677 -1.092 -8.859 12.047 1.00 0.00 C ATOM 506 CG HIS A 677 -2.058 -7.839 12.565 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.125 -6.502 12.366 1.00 0.00 N flip ATOM 508 CD2 HIS A 677 -3.111 -8.154 13.398 1.00 0.00 C flip ATOM 509 CE1 HIS A 677 -3.207 -6.038 13.074 1.00 0.00 C flip ATOM 510 NE2 HIS A 677 -3.785 -7.055 13.687 1.00 0.00 N flip ATOM 0 H HIS A 677 0.809 -9.866 10.602 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.060 -9.350 10.194 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.335 -9.830 12.479 1.00 0.00 H new ATOM 0 HB3 HIS A 677 -0.088 -8.601 12.385 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -3.348 -9.144 13.758 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -3.532 -5.009 13.122 1.00 0.00 H new ATOM 0 HE2 HIS A 677 -4.611 -7.001 14.282 1.00 0.00 H new ATOM 519 N VAL A 678 -1.629 -7.300 8.857 1.00 0.00 N ATOM 520 CA VAL A 678 -1.507 -6.022 8.166 1.00 0.00 C ATOM 521 C VAL A 678 -2.155 -4.899 8.969 1.00 0.00 C ATOM 522 O VAL A 678 -3.252 -5.058 9.505 1.00 0.00 O ATOM 523 CB VAL A 678 -2.150 -6.075 6.768 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.091 -4.710 6.100 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.467 -7.129 5.908 1.00 0.00 C ATOM 0 H VAL A 678 -2.347 -7.918 8.478 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.441 -5.821 8.060 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.198 -6.352 6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.550 -4.768 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.629 -3.983 6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.051 -4.399 5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -1.934 -7.153 4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.410 -6.884 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.567 -8.106 6.381 1.00 0.00 H new ATOM 535 N LEU A 679 -1.470 -3.764 9.048 1.00 0.00 N ATOM 536 CA LEU A 679 -1.978 -2.613 9.785 1.00 0.00 C ATOM 537 C LEU A 679 -2.366 -1.485 8.834 1.00 0.00 C ATOM 538 O LEU A 679 -3.531 -1.095 8.760 1.00 0.00 O ATOM 539 CB LEU A 679 -0.930 -2.117 10.782 1.00 0.00 C ATOM 540 CG LEU A 679 -0.351 -3.171 11.727 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.929 -2.663 12.373 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.372 -3.552 12.790 1.00 0.00 C ATOM 0 H LEU A 679 -0.561 -3.616 8.610 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.869 -2.926 10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.109 -1.669 10.223 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.376 -1.325 11.383 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.112 -4.061 11.145 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.327 -3.426 13.042 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.664 -2.440 11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.715 -1.758 12.941 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.943 -4.303 13.454 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.642 -2.668 13.368 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.263 -3.958 12.310 1.00 0.00 H new ATOM 554 N TYR A 680 -1.382 -0.967 8.108 1.00 0.00 N ATOM 555 CA TYR A 680 -1.620 0.116 7.161 1.00 0.00 C ATOM 556 C TYR A 680 -1.819 -0.428 5.749 1.00 0.00 C ATOM 557 O TYR A 680 -0.987 -1.176 5.237 1.00 0.00 O ATOM 558 CB TYR A 680 -0.451 1.103 7.179 1.00 0.00 C ATOM 559 CG TYR A 680 -0.482 2.099 6.042 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.658 2.756 5.700 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.664 2.385 5.311 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.691 3.667 4.661 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.641 3.295 4.272 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.539 3.933 3.951 1.00 0.00 C ATOM 565 OH TYR A 680 -0.568 4.840 2.917 1.00 0.00 O ATOM 0 H TYR A 680 -0.412 -1.279 8.157 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.530 0.635 7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.458 1.644 8.125 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.485 0.546 7.137 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.561 2.551 6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.590 1.887 5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.614 4.168 4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.542 3.506 3.714 1.00 0.00 H new ATOM 0 HH TYR A 680 0.325 4.913 2.521 1.00 0.00 H new ATOM 575 N ALA A 681 -2.928 -0.045 5.126 1.00 0.00 N ATOM 576 CA ALA A 681 -3.237 -0.491 3.773 1.00 0.00 C ATOM 577 C ALA A 681 -4.195 0.474 3.082 1.00 0.00 C ATOM 578 O ALA A 681 -5.266 0.780 3.605 1.00 0.00 O ATOM 579 CB ALA A 681 -3.826 -1.893 3.801 1.00 0.00 C ATOM 0 H ALA A 681 -3.628 0.573 5.536 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.308 -0.510 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.052 -2.213 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.107 -2.581 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.741 -1.891 4.393 1.00 0.00 H new ATOM 585 N ASP A 682 -3.802 0.949 1.906 1.00 0.00 N ATOM 586 CA ASP A 682 -4.627 1.879 1.143 1.00 0.00 C ATOM 587 C ASP A 682 -4.260 1.842 -0.338 1.00 0.00 C ATOM 588 O ASP A 682 -3.153 1.445 -0.703 1.00 0.00 O ATOM 589 CB ASP A 682 -4.465 3.300 1.685 1.00 0.00 C ATOM 590 CG ASP A 682 -5.660 4.179 1.371 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.732 3.959 1.972 1.00 0.00 O ATOM 592 OD2 ASP A 682 -5.523 5.087 0.524 1.00 0.00 O ATOM 0 H ASP A 682 -2.918 0.706 1.460 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.668 1.574 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -4.321 3.260 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.567 3.748 1.260 1.00 0.00 H new ATOM 597 N ILE A 683 -5.197 2.255 -1.184 1.00 0.00 N ATOM 598 CA ILE A 683 -4.972 2.269 -2.624 1.00 0.00 C ATOM 599 C ILE A 683 -4.566 3.658 -3.104 1.00 0.00 C ATOM 600 O ILE A 683 -5.399 4.558 -3.214 1.00 0.00 O ATOM 601 CB ILE A 683 -6.228 1.819 -3.394 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.588 0.378 -3.029 1.00 0.00 C ATOM 603 CG2 ILE A 683 -6.006 1.952 -4.893 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.477 -0.611 -3.307 1.00 0.00 C ATOM 0 H ILE A 683 -6.119 2.584 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 683 -4.162 1.567 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 683 -7.060 2.464 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.847 0.333 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.476 0.081 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.902 1.630 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.793 2.992 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -5.164 1.329 -5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.802 -1.612 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.233 -0.595 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.594 -0.339 -2.728 1.00 0.00 H new ATOM 616 N LYS A 684 -3.279 3.826 -3.391 1.00 0.00 N ATOM 617 CA LYS A 684 -2.760 5.104 -3.862 1.00 0.00 C ATOM 618 C LYS A 684 -3.433 5.516 -5.168 1.00 0.00 C ATOM 619 O LYS A 684 -3.606 4.700 -6.073 1.00 0.00 O ATOM 620 CB LYS A 684 -1.245 5.020 -4.062 1.00 0.00 C ATOM 621 CG LYS A 684 -0.477 4.752 -2.779 1.00 0.00 C ATOM 622 CD LYS A 684 -0.492 5.960 -1.857 1.00 0.00 C ATOM 623 CE LYS A 684 0.387 5.739 -0.636 1.00 0.00 C ATOM 624 NZ LYS A 684 0.307 6.880 0.318 1.00 0.00 N ATOM 0 H LYS A 684 -2.576 3.092 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.980 5.858 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -1.025 4.230 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.892 5.954 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.913 3.895 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.553 4.489 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 684 -0.146 6.839 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.514 6.164 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 684 0.084 4.822 -0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 684 1.421 5.602 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 0.920 6.692 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 0.620 7.751 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 -0.675 6.995 0.640 1.00 0.00 H new ATOM 724 N LYS A 691 -4.048 3.959 -9.692 1.00 0.00 N ATOM 725 CA LYS A 691 -2.774 3.685 -10.346 1.00 0.00 C ATOM 726 C LYS A 691 -2.325 2.251 -10.083 1.00 0.00 C ATOM 727 O LYS A 691 -1.136 1.942 -10.143 1.00 0.00 O ATOM 728 CB LYS A 691 -1.704 4.663 -9.856 1.00 0.00 C ATOM 729 CG LYS A 691 -1.996 6.111 -10.212 1.00 0.00 C ATOM 730 CD LYS A 691 -1.709 6.394 -11.677 1.00 0.00 C ATOM 731 CE LYS A 691 -2.234 7.760 -12.093 1.00 0.00 C ATOM 732 NZ LYS A 691 -2.082 7.990 -13.557 1.00 0.00 N ATOM 0 HA LYS A 691 -2.911 3.814 -11.420 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.611 4.575 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.742 4.380 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -3.040 6.337 -9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.391 6.769 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -0.635 6.346 -11.854 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -2.169 5.623 -12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -3.286 7.844 -11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -1.700 8.537 -11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 -2.451 8.931 -13.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -1.076 7.935 -13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -2.613 7.264 -14.079 1.00 0.00 H new ATOM 746 N GLY A 692 -3.285 1.378 -9.793 1.00 0.00 N ATOM 747 CA GLY A 692 -2.968 -0.013 -9.527 1.00 0.00 C ATOM 748 C GLY A 692 -1.760 -0.169 -8.625 1.00 0.00 C ATOM 749 O GLY A 692 -0.964 -1.093 -8.797 1.00 0.00 O ATOM 0 H GLY A 692 -4.277 1.609 -9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.828 -0.497 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.782 -0.527 -10.470 1.00 0.00 H new ATOM 753 N CYS A 693 -1.621 0.735 -7.662 1.00 0.00 N ATOM 754 CA CYS A 693 -0.499 0.695 -6.731 1.00 0.00 C ATOM 755 C CYS A 693 -0.961 0.994 -5.309 1.00 0.00 C ATOM 756 O CYS A 693 -1.837 1.831 -5.093 1.00 0.00 O ATOM 757 CB CYS A 693 0.577 1.697 -7.152 1.00 0.00 C ATOM 758 SG CYS A 693 0.062 3.426 -7.031 1.00 0.00 S ATOM 0 H CYS A 693 -2.271 1.505 -7.505 1.00 0.00 H new ATOM 0 HA CYS A 693 -0.077 -0.310 -6.753 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.460 1.548 -6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 693 0.871 1.488 -8.180 1.00 0.00 H new ATOM 0 HG CYS A 693 1.039 4.197 -7.406 1.00 0.00 H new ATOM 764 N GLY A 694 -0.367 0.302 -4.341 1.00 0.00 N ATOM 765 CA GLY A 694 -0.733 0.507 -2.951 1.00 0.00 C ATOM 766 C GLY A 694 0.404 0.191 -2.000 1.00 0.00 C ATOM 767 O GLY A 694 1.567 0.153 -2.402 1.00 0.00 O ATOM 0 H GLY A 694 0.361 -0.396 -4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -1.044 1.542 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.591 -0.120 -2.708 1.00 0.00 H new ATOM 771 N VAL A 695 0.069 -0.035 -0.734 1.00 0.00 N ATOM 772 CA VAL A 695 1.071 -0.349 0.278 1.00 0.00 C ATOM 773 C VAL A 695 0.493 -1.252 1.362 1.00 0.00 C ATOM 774 O VAL A 695 -0.719 -1.287 1.575 1.00 0.00 O ATOM 775 CB VAL A 695 1.627 0.929 0.932 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.539 1.670 -0.034 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.491 1.826 1.400 1.00 0.00 C ATOM 0 H VAL A 695 -0.889 -0.007 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 695 1.882 -0.870 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 695 2.216 0.643 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 695 2.922 2.570 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.372 1.026 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 695 1.977 1.946 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 695 0.903 2.725 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -0.127 2.105 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -0.118 1.292 2.129 1.00 0.00 H new ATOM 787 N VAL A 696 1.369 -1.981 2.046 1.00 0.00 N ATOM 788 CA VAL A 696 0.946 -2.884 3.110 1.00 0.00 C ATOM 789 C VAL A 696 1.988 -2.948 4.222 1.00 0.00 C ATOM 790 O VAL A 696 3.127 -3.358 3.998 1.00 0.00 O ATOM 791 CB VAL A 696 0.695 -4.306 2.574 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.265 -5.233 3.700 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.347 -4.280 1.466 1.00 0.00 C ATOM 0 H VAL A 696 2.376 -1.964 1.882 1.00 0.00 H new ATOM 0 HA VAL A 696 0.014 -2.486 3.511 1.00 0.00 H new ATOM 0 HB VAL A 696 1.627 -4.689 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.092 -6.233 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.048 -5.274 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.654 -4.858 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.513 -5.293 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.282 -3.878 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.006 -3.651 0.649 1.00 0.00 H new ATOM 803 N LYS A 697 1.589 -2.541 5.422 1.00 0.00 N ATOM 804 CA LYS A 697 2.487 -2.554 6.572 1.00 0.00 C ATOM 805 C LYS A 697 2.161 -3.717 7.504 1.00 0.00 C ATOM 806 O LYS A 697 1.000 -4.100 7.653 1.00 0.00 O ATOM 807 CB LYS A 697 2.389 -1.231 7.335 1.00 0.00 C ATOM 808 CG LYS A 697 3.671 -0.848 8.054 1.00 0.00 C ATOM 809 CD LYS A 697 3.387 -0.028 9.301 1.00 0.00 C ATOM 810 CE LYS A 697 4.649 0.196 10.120 1.00 0.00 C ATOM 811 NZ LYS A 697 4.518 1.367 11.031 1.00 0.00 N ATOM 0 H LYS A 697 0.650 -2.198 5.624 1.00 0.00 H new ATOM 0 HA LYS A 697 3.506 -2.681 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.123 -0.437 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.581 -1.300 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.219 -1.750 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.311 -0.278 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 697 2.961 0.934 9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.642 -0.538 9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 697 4.865 -0.697 10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 697 5.495 0.350 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 5.398 1.486 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 4.337 2.224 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 3.727 1.209 11.688 1.00 0.00 H new ATOM 825 N PHE A 698 3.192 -4.274 8.130 1.00 0.00 N ATOM 826 CA PHE A 698 3.015 -5.393 9.048 1.00 0.00 C ATOM 827 C PHE A 698 3.558 -5.051 10.433 1.00 0.00 C ATOM 828 O PHE A 698 4.301 -4.085 10.598 1.00 0.00 O ATOM 829 CB PHE A 698 3.716 -6.640 8.507 1.00 0.00 C ATOM 830 CG PHE A 698 3.184 -7.098 7.179 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.724 -6.616 5.997 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.142 -8.010 7.112 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.237 -7.036 4.774 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.651 -8.433 5.891 1.00 0.00 C ATOM 835 CZ PHE A 698 2.199 -7.944 4.721 1.00 0.00 C ATOM 0 H PHE A 698 4.159 -3.969 8.018 1.00 0.00 H new ATOM 0 HA PHE A 698 1.947 -5.594 9.135 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.782 -6.435 8.411 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.611 -7.449 9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.535 -5.904 6.032 1.00 0.00 H new ATOM 0 HD2 PHE A 698 1.709 -8.394 8.024 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.668 -6.654 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 698 0.840 -9.145 5.852 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.816 -8.272 3.766 1.00 0.00 H new ATOM 845 N GLU A 699 3.180 -5.852 11.424 1.00 0.00 N ATOM 846 CA GLU A 699 3.628 -5.634 12.795 1.00 0.00 C ATOM 847 C GLU A 699 5.122 -5.914 12.930 1.00 0.00 C ATOM 848 O GLU A 699 5.846 -5.171 13.593 1.00 0.00 O ATOM 849 CB GLU A 699 2.842 -6.524 13.759 1.00 0.00 C ATOM 850 CG GLU A 699 1.371 -6.158 13.864 1.00 0.00 C ATOM 851 CD GLU A 699 0.612 -7.061 14.817 1.00 0.00 C ATOM 852 OE1 GLU A 699 0.845 -8.287 14.785 1.00 0.00 O ATOM 853 OE2 GLU A 699 -0.216 -6.541 15.595 1.00 0.00 O ATOM 0 H GLU A 699 2.565 -6.657 11.304 1.00 0.00 H new ATOM 0 HA GLU A 699 3.448 -4.589 13.048 1.00 0.00 H new ATOM 0 HB2 GLU A 699 2.927 -7.561 13.434 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.295 -6.462 14.749 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.281 -5.125 14.199 1.00 0.00 H new ATOM 0 HG3 GLU A 699 0.915 -6.214 12.876 1.00 0.00 H new ATOM 860 N SER A 700 5.576 -6.990 12.296 1.00 0.00 N ATOM 861 CA SER A 700 6.983 -7.371 12.349 1.00 0.00 C ATOM 862 C SER A 700 7.649 -7.176 10.991 1.00 0.00 C ATOM 863 O SER A 700 7.031 -7.337 9.938 1.00 0.00 O ATOM 864 CB SER A 700 7.122 -8.829 12.793 1.00 0.00 C ATOM 865 OG SER A 700 6.865 -8.966 14.180 1.00 0.00 O ATOM 0 H SER A 700 4.991 -7.613 11.740 1.00 0.00 H new ATOM 0 HA SER A 700 7.481 -6.728 13.075 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.429 -9.452 12.228 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.127 -9.187 12.569 1.00 0.00 H new ATOM 0 HG SER A 700 6.958 -9.907 14.439 1.00 0.00 H new ATOM 871 N PRO A 701 8.943 -6.821 11.013 1.00 0.00 N ATOM 872 CA PRO A 701 9.723 -6.596 9.793 1.00 0.00 C ATOM 873 C PRO A 701 9.990 -7.889 9.029 1.00 0.00 C ATOM 874 O PRO A 701 10.130 -7.880 7.807 1.00 0.00 O ATOM 875 CB PRO A 701 11.034 -6.002 10.314 1.00 0.00 C ATOM 876 CG PRO A 701 11.149 -6.507 11.711 1.00 0.00 C ATOM 877 CD PRO A 701 9.743 -6.611 12.231 1.00 0.00 C ATOM 0 HA PRO A 701 9.199 -5.952 9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 701 11.882 -6.320 9.707 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.013 -4.913 10.287 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.647 -7.476 11.736 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.742 -5.828 12.324 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.634 -7.439 12.931 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.442 -5.706 12.758 1.00 0.00 H new ATOM 885 N GLU A 702 10.060 -8.998 9.759 1.00 0.00 N ATOM 886 CA GLU A 702 10.311 -10.298 9.149 1.00 0.00 C ATOM 887 C GLU A 702 9.177 -10.684 8.203 1.00 0.00 C ATOM 888 O GLU A 702 9.412 -11.219 7.119 1.00 0.00 O ATOM 889 CB GLU A 702 10.475 -11.370 10.228 1.00 0.00 C ATOM 890 CG GLU A 702 9.223 -11.594 11.059 1.00 0.00 C ATOM 891 CD GLU A 702 9.533 -12.078 12.463 1.00 0.00 C ATOM 892 OE1 GLU A 702 10.370 -11.443 13.138 1.00 0.00 O ATOM 893 OE2 GLU A 702 8.938 -13.091 12.885 1.00 0.00 O ATOM 0 H GLU A 702 9.947 -9.022 10.772 1.00 0.00 H new ATOM 0 HA GLU A 702 11.234 -10.227 8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 702 10.759 -12.310 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.294 -11.086 10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 702 8.658 -10.664 11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.586 -12.324 10.560 1.00 0.00 H new ATOM 900 N VAL A 703 7.946 -10.408 8.621 1.00 0.00 N ATOM 901 CA VAL A 703 6.774 -10.725 7.813 1.00 0.00 C ATOM 902 C VAL A 703 6.837 -10.027 6.459 1.00 0.00 C ATOM 903 O VAL A 703 6.784 -10.674 5.413 1.00 0.00 O ATOM 904 CB VAL A 703 5.472 -10.319 8.528 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.265 -10.628 7.655 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.362 -11.021 9.873 1.00 0.00 C ATOM 0 H VAL A 703 7.734 -9.965 9.515 1.00 0.00 H new ATOM 0 HA VAL A 703 6.775 -11.805 7.663 1.00 0.00 H new ATOM 0 HB VAL A 703 5.495 -9.244 8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.354 -10.334 8.177 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.342 -10.075 6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.233 -11.697 7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.436 -10.723 10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.361 -12.100 9.721 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.211 -10.744 10.499 1.00 0.00 H new ATOM 916 N ALA A 704 6.950 -8.703 6.486 1.00 0.00 N ATOM 917 CA ALA A 704 7.022 -7.918 5.260 1.00 0.00 C ATOM 918 C ALA A 704 7.947 -8.574 4.241 1.00 0.00 C ATOM 919 O ALA A 704 7.501 -9.030 3.189 1.00 0.00 O ATOM 920 CB ALA A 704 7.491 -6.503 5.567 1.00 0.00 C ATOM 0 H ALA A 704 6.994 -8.152 7.343 1.00 0.00 H new ATOM 0 HA ALA A 704 6.022 -7.873 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.540 -5.927 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.790 -6.028 6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.479 -6.539 6.025 1.00 0.00 H new ATOM 926 N GLU A 705 9.236 -8.617 4.560 1.00 0.00 N ATOM 927 CA GLU A 705 10.223 -9.217 3.670 1.00 0.00 C ATOM 928 C GLU A 705 9.669 -10.478 3.014 1.00 0.00 C ATOM 929 O GLU A 705 9.911 -10.735 1.834 1.00 0.00 O ATOM 930 CB GLU A 705 11.502 -9.550 4.441 1.00 0.00 C ATOM 931 CG GLU A 705 12.378 -8.340 4.720 1.00 0.00 C ATOM 932 CD GLU A 705 13.807 -8.719 5.056 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.001 -9.601 5.918 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.732 -8.133 4.455 1.00 0.00 O ATOM 0 H GLU A 705 9.621 -8.244 5.428 1.00 0.00 H new ATOM 0 HA GLU A 705 10.456 -8.494 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.234 -10.020 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.078 -10.282 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.375 -7.685 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 705 11.953 -7.771 5.547 1.00 0.00 H new ATOM 941 N ARG A 706 8.924 -11.262 3.787 1.00 0.00 N ATOM 942 CA ARG A 706 8.337 -12.497 3.282 1.00 0.00 C ATOM 943 C ARG A 706 7.166 -12.201 2.349 1.00 0.00 C ATOM 944 O ARG A 706 7.215 -12.510 1.159 1.00 0.00 O ATOM 945 CB ARG A 706 7.867 -13.375 4.443 1.00 0.00 C ATOM 946 CG ARG A 706 7.727 -14.844 4.078 1.00 0.00 C ATOM 947 CD ARG A 706 6.963 -15.613 5.145 1.00 0.00 C ATOM 948 NE ARG A 706 7.837 -16.070 6.222 1.00 0.00 N ATOM 949 CZ ARG A 706 8.809 -16.959 6.051 1.00 0.00 C ATOM 950 NH1 ARG A 706 9.030 -17.484 4.854 1.00 0.00 N ATOM 951 NH2 ARG A 706 9.563 -17.325 7.080 1.00 0.00 N ATOM 0 H ARG A 706 8.713 -11.064 4.765 1.00 0.00 H new ATOM 0 HA ARG A 706 9.103 -13.030 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.573 -13.280 5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.906 -13.005 4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 706 7.211 -14.935 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.716 -15.284 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 706 6.180 -14.978 5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 706 6.470 -16.472 4.690 1.00 0.00 H new ATOM 0 HE ARG A 706 7.693 -15.686 7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 706 8.453 -17.206 4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 706 9.777 -18.166 4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 706 9.396 -16.924 8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 706 10.309 -18.008 6.948 1.00 0.00 H new ATOM 965 N ALA A 707 6.116 -11.599 2.898 1.00 0.00 N ATOM 966 CA ALA A 707 4.934 -11.260 2.115 1.00 0.00 C ATOM 967 C ALA A 707 5.320 -10.765 0.725 1.00 0.00 C ATOM 968 O ALA A 707 4.567 -10.931 -0.235 1.00 0.00 O ATOM 969 CB ALA A 707 4.104 -10.211 2.840 1.00 0.00 C ATOM 0 H ALA A 707 6.060 -11.336 3.882 1.00 0.00 H new ATOM 0 HA ALA A 707 4.335 -12.163 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.225 -9.967 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.790 -10.601 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.702 -9.312 2.988 1.00 0.00 H new ATOM 975 N CYS A 708 6.497 -10.156 0.625 1.00 0.00 N ATOM 976 CA CYS A 708 6.982 -9.634 -0.648 1.00 0.00 C ATOM 977 C CYS A 708 7.150 -10.757 -1.666 1.00 0.00 C ATOM 978 O CYS A 708 6.680 -10.657 -2.800 1.00 0.00 O ATOM 979 CB CYS A 708 8.311 -8.905 -0.451 1.00 0.00 C ATOM 980 SG CYS A 708 9.307 -8.765 -1.953 1.00 0.00 S ATOM 0 H CYS A 708 7.133 -10.012 1.410 1.00 0.00 H new ATOM 0 HA CYS A 708 6.243 -8.929 -1.029 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.111 -7.905 -0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 708 8.891 -9.429 0.309 1.00 0.00 H new ATOM 0 HG CYS A 708 8.596 -8.223 -2.896 1.00 0.00 H new ATOM 986 N ARG A 709 7.826 -11.825 -1.256 1.00 0.00 N ATOM 987 CA ARG A 709 8.060 -12.966 -2.133 1.00 0.00 C ATOM 988 C ARG A 709 6.805 -13.826 -2.252 1.00 0.00 C ATOM 989 O ARG A 709 6.545 -14.421 -3.297 1.00 0.00 O ATOM 990 CB ARG A 709 9.223 -13.810 -1.609 1.00 0.00 C ATOM 991 CG ARG A 709 10.579 -13.143 -1.767 1.00 0.00 C ATOM 992 CD ARG A 709 10.911 -12.265 -0.571 1.00 0.00 C ATOM 993 NE ARG A 709 11.213 -13.053 0.621 1.00 0.00 N ATOM 994 CZ ARG A 709 12.305 -13.798 0.751 1.00 0.00 C ATOM 995 NH1 ARG A 709 13.195 -13.855 -0.231 1.00 0.00 N ATOM 996 NH2 ARG A 709 12.510 -14.488 1.866 1.00 0.00 N ATOM 0 H ARG A 709 8.222 -11.924 -0.321 1.00 0.00 H new ATOM 0 HA ARG A 709 8.314 -12.586 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.056 -14.029 -0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 709 9.234 -14.765 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 709 11.349 -13.905 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.586 -12.540 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 709 11.765 -11.632 -0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 709 10.071 -11.602 -0.364 1.00 0.00 H new ATOM 0 HE ARG A 709 10.550 -13.030 1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 709 13.042 -13.326 -1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 709 14.032 -14.428 -0.128 1.00 0.00 H new ATOM 0 HH21 ARG A 709 11.829 -14.446 2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 709 13.349 -15.060 1.965 1.00 0.00 H new ATOM 1010 N MET A 710 6.032 -13.888 -1.173 1.00 0.00 N ATOM 1011 CA MET A 710 4.805 -14.675 -1.156 1.00 0.00 C ATOM 1012 C MET A 710 3.739 -14.038 -2.043 1.00 0.00 C ATOM 1013 O MET A 710 2.753 -14.681 -2.402 1.00 0.00 O ATOM 1014 CB MET A 710 4.280 -14.811 0.274 1.00 0.00 C ATOM 1015 CG MET A 710 5.030 -15.844 1.100 1.00 0.00 C ATOM 1016 SD MET A 710 4.418 -15.956 2.793 1.00 0.00 S ATOM 1017 CE MET A 710 2.661 -16.151 2.506 1.00 0.00 C ATOM 0 H MET A 710 6.234 -13.403 -0.299 1.00 0.00 H new ATOM 0 HA MET A 710 5.034 -15.667 -1.547 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.346 -13.843 0.770 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.224 -15.081 0.241 1.00 0.00 H new ATOM 0 HG2 MET A 710 4.943 -16.819 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 710 6.090 -15.590 1.117 1.00 0.00 H new ATOM 0 HE1 MET A 710 2.214 -16.693 3.340 1.00 0.00 H new ATOM 0 HE2 MET A 710 2.195 -15.169 2.420 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.503 -16.710 1.584 1.00 0.00 H new ATOM 1027 N MET A 711 3.943 -12.772 -2.390 1.00 0.00 N ATOM 1028 CA MET A 711 2.999 -12.050 -3.235 1.00 0.00 C ATOM 1029 C MET A 711 3.665 -11.597 -4.531 1.00 0.00 C ATOM 1030 O MET A 711 2.991 -11.315 -5.520 1.00 0.00 O ATOM 1031 CB MET A 711 2.436 -10.839 -2.488 1.00 0.00 C ATOM 1032 CG MET A 711 1.624 -11.209 -1.257 1.00 0.00 C ATOM 1033 SD MET A 711 0.331 -12.414 -1.614 1.00 0.00 S ATOM 1034 CE MET A 711 -1.130 -11.491 -1.143 1.00 0.00 C ATOM 0 H MET A 711 4.753 -12.225 -2.099 1.00 0.00 H new ATOM 0 HA MET A 711 2.182 -12.727 -3.484 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.260 -10.192 -2.189 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.808 -10.263 -3.168 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.291 -11.612 -0.495 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.171 -10.309 -0.841 1.00 0.00 H new ATOM 0 HE1 MET A 711 -2.007 -11.931 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.248 -11.525 -0.060 1.00 0.00 H new ATOM 0 HE3 MET A 711 -1.025 -10.455 -1.464 1.00 0.00 H new ATOM 1044 N ASN A 712 4.993 -11.531 -4.517 1.00 0.00 N ATOM 1045 CA ASN A 712 5.749 -11.112 -5.691 1.00 0.00 C ATOM 1046 C ASN A 712 5.362 -11.940 -6.912 1.00 0.00 C ATOM 1047 O ASN A 712 5.469 -13.166 -6.903 1.00 0.00 O ATOM 1048 CB ASN A 712 7.251 -11.241 -5.428 1.00 0.00 C ATOM 1049 CG ASN A 712 8.065 -11.233 -6.708 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.821 -10.427 -7.606 1.00 0.00 O ATOM 1051 ND2 ASN A 712 9.037 -12.133 -6.797 1.00 0.00 N ATOM 0 H ASN A 712 5.567 -11.762 -3.706 1.00 0.00 H new ATOM 0 HA ASN A 712 5.510 -10.068 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.577 -10.421 -4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.444 -12.166 -4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 712 9.617 -12.176 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.203 -12.782 -6.028 1.00 0.00 H new ATOM 1058 N GLY A 713 4.912 -11.261 -7.963 1.00 0.00 N ATOM 1059 CA GLY A 713 4.516 -11.950 -9.177 1.00 0.00 C ATOM 1060 C GLY A 713 3.182 -12.656 -9.035 1.00 0.00 C ATOM 1061 O GLY A 713 2.896 -13.609 -9.759 1.00 0.00 O ATOM 0 H GLY A 713 4.815 -10.246 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.458 -11.233 -9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 713 5.282 -12.678 -9.444 1.00 0.00 H new ATOM 1065 N MET A 714 2.364 -12.188 -8.097 1.00 0.00 N ATOM 1066 CA MET A 714 1.053 -12.782 -7.862 1.00 0.00 C ATOM 1067 C MET A 714 0.062 -12.356 -8.940 1.00 0.00 C ATOM 1068 O MET A 714 -0.332 -11.192 -9.011 1.00 0.00 O ATOM 1069 CB MET A 714 0.528 -12.380 -6.482 1.00 0.00 C ATOM 1070 CG MET A 714 -0.925 -12.764 -6.250 1.00 0.00 C ATOM 1071 SD MET A 714 -1.396 -12.678 -4.512 1.00 0.00 S ATOM 1072 CE MET A 714 -1.655 -10.916 -4.318 1.00 0.00 C ATOM 0 H MET A 714 2.586 -11.400 -7.488 1.00 0.00 H new ATOM 0 HA MET A 714 1.160 -13.866 -7.901 1.00 0.00 H new ATOM 0 HB2 MET A 714 1.146 -12.849 -5.716 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.634 -11.302 -6.362 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.569 -12.103 -6.830 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.093 -13.776 -6.618 1.00 0.00 H new ATOM 0 HE1 MET A 714 -2.578 -10.743 -3.765 1.00 0.00 H new ATOM 0 HE2 MET A 714 -0.818 -10.483 -3.770 1.00 0.00 H new ATOM 0 HE3 MET A 714 -1.727 -10.448 -5.300 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.336 -13.306 -9.780 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.282 -13.030 -10.854 1.00 0.00 C ATOM 1084 C LYS A 715 -2.633 -12.599 -10.293 1.00 0.00 C ATOM 1085 O LYS A 715 -3.418 -13.428 -9.831 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.457 -14.268 -11.738 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.509 -14.307 -12.924 1.00 0.00 C ATOM 1088 CD LYS A 715 -1.075 -13.553 -14.115 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.426 -13.998 -15.417 1.00 0.00 C ATOM 1090 NZ LYS A 715 -0.800 -13.113 -16.554 1.00 0.00 N ATOM 0 H LYS A 715 -0.018 -14.274 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.881 -12.214 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.305 -15.161 -11.132 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.484 -14.302 -12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.449 -13.873 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.319 -15.343 -13.205 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -2.152 -13.714 -14.170 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -0.919 -12.483 -13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 715 0.658 -14.001 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -0.725 -15.022 -15.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -0.338 -13.450 -17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -1.832 -13.130 -16.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -0.492 -12.140 -16.353 1.00 0.00 H new ATOM 1104 N LEU A 716 -2.899 -11.298 -10.337 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.157 -10.756 -9.834 1.00 0.00 C ATOM 1106 C LEU A 716 -5.130 -10.487 -10.978 1.00 0.00 C ATOM 1107 O LEU A 716 -4.820 -9.742 -11.907 1.00 0.00 O ATOM 1108 CB LEU A 716 -3.902 -9.467 -9.051 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.380 -9.640 -7.625 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.007 -8.293 -7.026 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.417 -10.342 -6.759 1.00 0.00 C ATOM 0 H LEU A 716 -2.260 -10.599 -10.716 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.603 -11.495 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.186 -8.863 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -4.832 -8.901 -9.010 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.484 -10.260 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.637 -8.436 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.230 -7.828 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -3.886 -7.648 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.028 -10.457 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.331 -9.748 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -4.635 -11.325 -7.177 1.00 0.00 H new ATOM 1123 N SER A 717 -6.308 -11.097 -10.901 1.00 0.00 N ATOM 1124 CA SER A 717 -7.326 -10.925 -11.930 1.00 0.00 C ATOM 1125 C SER A 717 -6.691 -10.843 -13.315 1.00 0.00 C ATOM 1126 O SER A 717 -7.084 -10.024 -14.144 1.00 0.00 O ATOM 1127 CB SER A 717 -8.148 -9.663 -11.659 1.00 0.00 C ATOM 1128 OG SER A 717 -9.465 -9.793 -12.166 1.00 0.00 O ATOM 0 H SER A 717 -6.581 -11.715 -10.137 1.00 0.00 H new ATOM 0 HA SER A 717 -7.985 -11.793 -11.902 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.185 -9.473 -10.586 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.661 -8.803 -12.119 1.00 0.00 H new ATOM 0 HG SER A 717 -9.970 -8.974 -11.979 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.704 -11.700 -13.558 1.00 0.00 N ATOM 1135 CA GLY A 718 -5.029 -11.710 -14.843 1.00 0.00 C ATOM 1136 C GLY A 718 -4.041 -10.569 -14.986 1.00 0.00 C ATOM 1137 O GLY A 718 -3.837 -10.050 -16.084 1.00 0.00 O ATOM 0 H GLY A 718 -5.360 -12.388 -12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.506 -12.658 -14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.770 -11.647 -15.640 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.427 -10.177 -13.875 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.457 -9.088 -13.882 1.00 0.00 C ATOM 1143 C ARG A 719 -1.363 -9.328 -12.846 1.00 0.00 C ATOM 1144 O ARG A 719 -1.611 -9.268 -11.642 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.153 -7.755 -13.604 1.00 0.00 C ATOM 1146 CG ARG A 719 -4.283 -7.444 -14.572 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.208 -6.369 -14.022 1.00 0.00 C ATOM 1148 NE ARG A 719 -4.768 -5.027 -14.392 1.00 0.00 N ATOM 1149 CZ ARG A 719 -5.556 -3.958 -14.356 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -6.819 -4.075 -13.967 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -5.082 -2.770 -14.708 1.00 0.00 N ATOM 0 H ARG A 719 -3.584 -10.597 -12.959 1.00 0.00 H new ATOM 0 HA ARG A 719 -1.997 -9.051 -14.870 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.549 -7.766 -12.588 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.416 -6.953 -13.650 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -3.867 -7.115 -15.525 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.854 -8.351 -14.769 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -6.219 -6.535 -14.395 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -5.252 -6.450 -12.936 1.00 0.00 H new ATOM 0 HE ARG A 719 -3.802 -4.903 -14.695 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -7.186 -4.987 -13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -7.423 -3.253 -13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -4.111 -2.676 -15.007 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -5.688 -1.950 -14.680 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.152 -9.601 -13.323 1.00 0.00 N ATOM 1166 CA GLU A 720 0.979 -9.852 -12.438 1.00 0.00 C ATOM 1167 C GLU A 720 1.382 -8.580 -11.698 1.00 0.00 C ATOM 1168 O GLU A 720 1.647 -7.548 -12.315 1.00 0.00 O ATOM 1169 CB GLU A 720 2.169 -10.391 -13.235 1.00 0.00 C ATOM 1170 CG GLU A 720 2.182 -11.905 -13.359 1.00 0.00 C ATOM 1171 CD GLU A 720 3.110 -12.392 -14.455 1.00 0.00 C ATOM 1172 OE1 GLU A 720 3.901 -11.573 -14.969 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.046 -13.591 -14.799 1.00 0.00 O ATOM 0 H GLU A 720 0.070 -9.654 -14.317 1.00 0.00 H new ATOM 0 HA GLU A 720 0.675 -10.598 -11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.155 -9.953 -14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.093 -10.066 -12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.488 -12.341 -12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.171 -12.258 -13.561 1.00 0.00 H new ATOM 1180 N ILE A 721 1.427 -8.663 -10.372 1.00 0.00 N ATOM 1181 CA ILE A 721 1.798 -7.520 -9.548 1.00 0.00 C ATOM 1182 C ILE A 721 3.257 -7.607 -9.113 1.00 0.00 C ATOM 1183 O ILE A 721 3.830 -8.694 -9.040 1.00 0.00 O ATOM 1184 CB ILE A 721 0.907 -7.414 -8.297 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.216 -8.556 -7.326 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.563 -7.430 -8.691 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.586 -8.376 -5.962 1.00 0.00 C ATOM 0 H ILE A 721 1.211 -9.510 -9.846 1.00 0.00 H new ATOM 0 HA ILE A 721 1.656 -6.630 -10.161 1.00 0.00 H new ATOM 0 HB ILE A 721 1.119 -6.469 -7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.867 -9.494 -7.758 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.296 -8.641 -7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.180 -7.354 -7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.773 -6.586 -9.349 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.790 -8.361 -9.211 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.847 -9.222 -5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 721 0.954 -7.455 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.498 -8.321 -6.066 1.00 0.00 H new ATOM 1199 N ASP A 722 3.852 -6.455 -8.823 1.00 0.00 N ATOM 1200 CA ASP A 722 5.244 -6.400 -8.391 1.00 0.00 C ATOM 1201 C ASP A 722 5.343 -5.982 -6.928 1.00 0.00 C ATOM 1202 O ASP A 722 5.168 -4.811 -6.592 1.00 0.00 O ATOM 1203 CB ASP A 722 6.034 -5.426 -9.267 1.00 0.00 C ATOM 1204 CG ASP A 722 7.532 -5.572 -9.089 1.00 0.00 C ATOM 1205 OD1 ASP A 722 7.962 -5.981 -7.990 1.00 0.00 O ATOM 1206 OD2 ASP A 722 8.275 -5.277 -10.049 1.00 0.00 O ATOM 0 H ASP A 722 3.392 -5.546 -8.879 1.00 0.00 H new ATOM 0 HA ASP A 722 5.670 -7.398 -8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.777 -5.593 -10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 722 5.740 -4.404 -9.026 1.00 0.00 H new ATOM 1211 N VAL A 723 5.625 -6.949 -6.059 1.00 0.00 N ATOM 1212 CA VAL A 723 5.747 -6.682 -4.631 1.00 0.00 C ATOM 1213 C VAL A 723 7.210 -6.585 -4.214 1.00 0.00 C ATOM 1214 O VAL A 723 8.025 -7.439 -4.565 1.00 0.00 O ATOM 1215 CB VAL A 723 5.058 -7.776 -3.795 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.841 -7.299 -2.367 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.740 -8.185 -4.435 1.00 0.00 C ATOM 0 H VAL A 723 5.773 -7.924 -6.320 1.00 0.00 H new ATOM 0 HA VAL A 723 5.254 -5.728 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 723 5.708 -8.650 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.353 -8.085 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.803 -7.060 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.212 -6.409 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.267 -8.959 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 723 3.081 -7.319 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.926 -8.571 -5.437 1.00 0.00 H new ATOM 1227 N ARG A 724 7.537 -5.539 -3.462 1.00 0.00 N ATOM 1228 CA ARG A 724 8.903 -5.329 -2.997 1.00 0.00 C ATOM 1229 C ARG A 724 8.922 -4.479 -1.730 1.00 0.00 C ATOM 1230 O ARG A 724 7.957 -3.776 -1.429 1.00 0.00 O ATOM 1231 CB ARG A 724 9.738 -4.656 -4.088 1.00 0.00 C ATOM 1232 CG ARG A 724 9.954 -5.527 -5.315 1.00 0.00 C ATOM 1233 CD ARG A 724 10.959 -4.903 -6.271 1.00 0.00 C ATOM 1234 NE ARG A 724 12.317 -4.936 -5.737 1.00 0.00 N ATOM 1235 CZ ARG A 724 13.343 -4.306 -6.298 1.00 0.00 C ATOM 1236 NH1 ARG A 724 13.166 -3.598 -7.404 1.00 0.00 N ATOM 1237 NH2 ARG A 724 14.550 -4.384 -5.751 1.00 0.00 N ATOM 0 H ARG A 724 6.875 -4.824 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 724 9.335 -6.303 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 724 9.247 -3.732 -4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.708 -4.380 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 724 10.306 -6.511 -5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 724 9.004 -5.675 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 724 10.931 -5.433 -7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 724 10.674 -3.870 -6.473 1.00 0.00 H new ATOM 0 HE ARG A 724 12.487 -5.472 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 724 12.240 -3.536 -7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 724 13.956 -3.115 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 724 14.690 -4.928 -4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 724 15.338 -3.900 -6.182 1.00 0.00 H new ATOM 1251 N ILE A 725 10.025 -4.550 -0.993 1.00 0.00 N ATOM 1252 CA ILE A 725 10.168 -3.787 0.241 1.00 0.00 C ATOM 1253 C ILE A 725 10.078 -2.289 -0.026 1.00 0.00 C ATOM 1254 O ILE A 725 10.671 -1.780 -0.977 1.00 0.00 O ATOM 1255 CB ILE A 725 11.507 -4.093 0.939 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.533 -5.543 1.427 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.730 -3.134 2.099 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.425 -5.872 2.403 1.00 0.00 C ATOM 0 H ILE A 725 10.832 -5.127 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 725 9.349 -4.087 0.895 1.00 0.00 H new ATOM 0 HB ILE A 725 12.315 -3.957 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.458 -6.209 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.494 -5.741 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.680 -3.362 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.750 -2.110 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.920 -3.242 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.505 -6.916 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.511 -5.231 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.459 -5.706 1.926 1.00 0.00 H new ATOM 1270 N ASP A 726 9.332 -1.587 0.821 1.00 0.00 N ATOM 1271 CA ASP A 726 9.166 -0.145 0.679 1.00 0.00 C ATOM 1272 C ASP A 726 10.281 0.605 1.400 1.00 0.00 C ATOM 1273 O ASP A 726 10.135 0.990 2.560 1.00 0.00 O ATOM 1274 CB ASP A 726 7.805 0.289 1.227 1.00 0.00 C ATOM 1275 CG ASP A 726 7.401 1.669 0.745 1.00 0.00 C ATOM 1276 OD1 ASP A 726 7.467 1.914 -0.478 1.00 0.00 O ATOM 1277 OD2 ASP A 726 7.017 2.503 1.591 1.00 0.00 O ATOM 0 H ASP A 726 8.833 -1.993 1.613 1.00 0.00 H new ATOM 0 HA ASP A 726 9.217 0.099 -0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.047 -0.434 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 726 7.836 0.282 2.317 1.00 0.00 H new