USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 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 155:sc= -3.05! (180deg=-1.58!) USER MOD Set 1.2: A 714 MET CE :methyl 149:sc= -1.41 (180deg=-1.08) USER MOD Set 2.1: A 675 CYS SG : rot 140:sc= -0.245 USER MOD Set 2.2: A 710 MET CE :methyl -141:sc= -1.66 (180deg=-5.11!) USER MOD Single : A 652 CYS SG : rot -19:sc= 0.00291 USER MOD Single : A 653 GLN : amide:sc= -0.054 K(o=-0.054,f=-1.3!) USER MOD Single : A 658 ASN : amide:sc= -1.99! K(o=-2!,f=-0.96) USER MOD Single : A 664 THR OG1 : rot 180:sc= 0 USER MOD Single : A 666 LYS NZ :NH3+ -154:sc= -0.224 (180deg=-0.77) USER MOD Single : A 667 MET CE :methyl -112:sc= -1.34 (180deg=-2.2!) 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 : amide:sc= -4.16 K(o=-4.2,f=-1.7) USER MOD Single : A 677 HIS : no HD1:sc= -3.26! K(o=-3.3!,f=-1.3) USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 180:sc= -0.526 USER MOD Single : A 697 LYS NZ :NH3+ 148:sc= 0.421 (180deg=0.0956) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 708 CYS SG : rot -64:sc= 0.325! USER MOD Single : A 712 ASN : amide:sc= -0.0251 X(o=-0.025,f=-0.045) USER MOD Single : A 715 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 717 SER OG : rot -46:sc= 0.755 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 8.914 -3.351 7.489 1.00 0.00 N ATOM 77 CA CYS A 652 7.546 -3.752 7.800 1.00 0.00 C ATOM 78 C CYS A 652 6.578 -3.253 6.732 1.00 0.00 C ATOM 79 O CYS A 652 5.414 -3.653 6.702 1.00 0.00 O ATOM 80 CB CYS A 652 7.134 -3.213 9.171 1.00 0.00 C ATOM 81 SG CYS A 652 7.637 -1.503 9.474 1.00 0.00 S ATOM 0 HA CYS A 652 7.508 -4.841 7.819 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.051 -3.284 9.267 1.00 0.00 H new ATOM 0 HB3 CYS A 652 7.565 -3.849 9.944 1.00 0.00 H new ATOM 0 HG CYS A 652 8.595 -1.181 8.656 1.00 0.00 H new ATOM 87 N GLN A 653 7.067 -2.379 5.859 1.00 0.00 N ATOM 88 CA GLN A 653 6.243 -1.824 4.791 1.00 0.00 C ATOM 89 C GLN A 653 6.677 -2.364 3.433 1.00 0.00 C ATOM 90 O GLN A 653 7.846 -2.695 3.230 1.00 0.00 O ATOM 91 CB GLN A 653 6.325 -0.297 4.796 1.00 0.00 C ATOM 92 CG GLN A 653 5.555 0.357 3.660 1.00 0.00 C ATOM 93 CD GLN A 653 5.065 1.748 4.012 1.00 0.00 C ATOM 94 OE1 GLN A 653 4.729 2.028 5.163 1.00 0.00 O ATOM 95 NE2 GLN A 653 5.020 2.629 3.019 1.00 0.00 N ATOM 0 H GLN A 653 8.029 -2.040 5.870 1.00 0.00 H new ATOM 0 HA GLN A 653 5.211 -2.126 4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.942 0.076 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.371 0.003 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 653 6.194 0.413 2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.702 -0.269 3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 653 5.308 2.354 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.697 3.580 3.196 1.00 0.00 H new ATOM 104 N ILE A 654 5.729 -2.452 2.506 1.00 0.00 N ATOM 105 CA ILE A 654 6.014 -2.951 1.167 1.00 0.00 C ATOM 106 C ILE A 654 5.276 -2.139 0.108 1.00 0.00 C ATOM 107 O ILE A 654 4.336 -1.406 0.416 1.00 0.00 O ATOM 108 CB ILE A 654 5.624 -4.434 1.024 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.126 -4.617 1.277 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.438 -5.290 1.983 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.574 -5.913 0.726 1.00 0.00 C ATOM 0 H ILE A 654 4.757 -2.184 2.658 1.00 0.00 H new ATOM 0 HA ILE A 654 7.089 -2.850 1.015 1.00 0.00 H new ATOM 0 HB ILE A 654 5.843 -4.756 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.940 -4.579 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.586 -3.782 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.151 -6.336 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.499 -5.179 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.248 -4.970 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.507 -5.975 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.728 -5.945 -0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.088 -6.754 1.191 1.00 0.00 H new ATOM 123 N PHE A 655 5.706 -2.276 -1.142 1.00 0.00 N ATOM 124 CA PHE A 655 5.086 -1.556 -2.247 1.00 0.00 C ATOM 125 C PHE A 655 4.473 -2.526 -3.253 1.00 0.00 C ATOM 126 O PHE A 655 5.008 -3.608 -3.495 1.00 0.00 O ATOM 127 CB PHE A 655 6.115 -0.664 -2.945 1.00 0.00 C ATOM 128 CG PHE A 655 5.510 0.534 -3.621 1.00 0.00 C ATOM 129 CD1 PHE A 655 5.115 1.637 -2.882 1.00 0.00 C ATOM 130 CD2 PHE A 655 5.337 0.555 -4.995 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.559 2.741 -3.501 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.782 1.656 -5.620 1.00 0.00 C ATOM 133 CZ PHE A 655 4.391 2.750 -4.871 1.00 0.00 C ATOM 0 H PHE A 655 6.482 -2.879 -1.415 1.00 0.00 H new ATOM 0 HA PHE A 655 4.291 -0.932 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.848 -0.326 -2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.654 -1.255 -3.685 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.243 1.634 -1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.639 -0.298 -5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 655 4.257 3.595 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.654 1.661 -6.692 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.955 3.610 -5.357 1.00 0.00 H new ATOM 143 N VAL A 656 3.346 -2.131 -3.836 1.00 0.00 N ATOM 144 CA VAL A 656 2.659 -2.964 -4.816 1.00 0.00 C ATOM 145 C VAL A 656 2.289 -2.161 -6.058 1.00 0.00 C ATOM 146 O VAL A 656 2.060 -0.954 -5.983 1.00 0.00 O ATOM 147 CB VAL A 656 1.382 -3.591 -4.224 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.852 -4.685 -5.137 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.653 -4.133 -2.829 1.00 0.00 C ATOM 0 H VAL A 656 2.889 -1.239 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 656 3.350 -3.760 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 656 0.619 -2.816 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.050 -5.116 -4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.618 -4.262 -6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.608 -5.462 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.741 -4.572 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.431 -4.895 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.982 -3.321 -2.181 1.00 0.00 H new ATOM 159 N ARG A 657 2.233 -2.839 -7.200 1.00 0.00 N ATOM 160 CA ARG A 657 1.891 -2.188 -8.459 1.00 0.00 C ATOM 161 C ARG A 657 1.116 -3.137 -9.368 1.00 0.00 C ATOM 162 O ARG A 657 1.159 -4.354 -9.193 1.00 0.00 O ATOM 163 CB ARG A 657 3.158 -1.706 -9.168 1.00 0.00 C ATOM 164 CG ARG A 657 3.925 -0.647 -8.392 1.00 0.00 C ATOM 165 CD ARG A 657 5.044 -0.046 -9.227 1.00 0.00 C ATOM 166 NE ARG A 657 6.116 0.496 -8.397 1.00 0.00 N ATOM 167 CZ ARG A 657 7.208 1.071 -8.889 1.00 0.00 C ATOM 168 NH1 ARG A 657 7.371 1.179 -10.200 1.00 0.00 N ATOM 169 NH2 ARG A 657 8.139 1.541 -8.068 1.00 0.00 N ATOM 0 H ARG A 657 2.420 -3.839 -7.279 1.00 0.00 H new ATOM 0 HA ARG A 657 1.258 -1.329 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.812 -2.560 -9.345 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.887 -1.304 -10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.241 0.141 -8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 657 4.342 -1.088 -7.487 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.450 -0.809 -9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 657 4.640 0.745 -9.859 1.00 0.00 H new ATOM 0 HE ARG A 657 6.021 0.430 -7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 657 6.657 0.820 -10.834 1.00 0.00 H new ATOM 0 HH12 ARG A 657 8.210 1.621 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 657 8.016 1.461 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 657 8.977 1.982 -8.447 1.00 0.00 H new ATOM 183 N ASN A 658 0.408 -2.570 -10.340 1.00 0.00 N ATOM 184 CA ASN A 658 -0.378 -3.365 -11.276 1.00 0.00 C ATOM 185 C ASN A 658 -1.527 -4.069 -10.562 1.00 0.00 C ATOM 186 O ASN A 658 -1.681 -5.287 -10.659 1.00 0.00 O ATOM 187 CB ASN A 658 0.512 -4.397 -11.974 1.00 0.00 C ATOM 188 CG ASN A 658 0.032 -4.721 -13.375 1.00 0.00 C ATOM 189 OD1 ASN A 658 0.391 -4.044 -14.338 1.00 0.00 O ATOM 190 ND2 ASN A 658 -0.785 -5.762 -13.495 1.00 0.00 N ATOM 0 H ASN A 658 0.363 -1.564 -10.500 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.797 -2.691 -12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.533 -4.019 -12.021 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.537 -5.311 -11.381 1.00 0.00 H new ATOM 0 HD21 ASN A 658 -1.141 -6.028 -14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 658 -1.056 -6.295 -12.669 1.00 0.00 H new ATOM 197 N LEU A 659 -2.334 -3.294 -9.844 1.00 0.00 N ATOM 198 CA LEU A 659 -3.471 -3.842 -9.113 1.00 0.00 C ATOM 199 C LEU A 659 -4.777 -3.568 -9.852 1.00 0.00 C ATOM 200 O LEU A 659 -4.964 -2.515 -10.462 1.00 0.00 O ATOM 201 CB LEU A 659 -3.532 -3.246 -7.706 1.00 0.00 C ATOM 202 CG LEU A 659 -2.498 -3.769 -6.709 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.342 -2.804 -5.544 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.890 -5.152 -6.209 1.00 0.00 C ATOM 0 H LEU A 659 -2.221 -2.284 -9.753 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.338 -4.921 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.416 -2.165 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.526 -3.430 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.538 -3.847 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.602 -3.194 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -2.014 -1.834 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.299 -2.692 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -2.142 -5.508 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.861 -5.099 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.948 -5.841 -7.052 1.00 0.00 H new ATOM 216 N PRO A 660 -5.704 -4.535 -9.795 1.00 0.00 N ATOM 217 CA PRO A 660 -7.010 -4.420 -10.451 1.00 0.00 C ATOM 218 C PRO A 660 -7.688 -3.086 -10.161 1.00 0.00 C ATOM 219 O PRO A 660 -7.875 -2.711 -9.003 1.00 0.00 O ATOM 220 CB PRO A 660 -7.814 -5.572 -9.844 1.00 0.00 C ATOM 221 CG PRO A 660 -6.791 -6.576 -9.437 1.00 0.00 C ATOM 222 CD PRO A 660 -5.548 -5.817 -9.086 1.00 0.00 C ATOM 0 HA PRO A 660 -6.927 -4.466 -11.537 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.402 -5.237 -8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.514 -5.991 -10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.140 -7.159 -8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.598 -7.280 -10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.460 -5.670 -8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.652 -6.346 -9.410 1.00 0.00 H new ATOM 230 N PHE A 661 -8.056 -2.372 -11.220 1.00 0.00 N ATOM 231 CA PHE A 661 -8.714 -1.078 -11.078 1.00 0.00 C ATOM 232 C PHE A 661 -9.735 -1.108 -9.945 1.00 0.00 C ATOM 233 O PHE A 661 -9.888 -0.134 -9.207 1.00 0.00 O ATOM 234 CB PHE A 661 -9.400 -0.685 -12.388 1.00 0.00 C ATOM 235 CG PHE A 661 -9.500 0.800 -12.591 1.00 0.00 C ATOM 236 CD1 PHE A 661 -8.358 1.576 -12.694 1.00 0.00 C ATOM 237 CD2 PHE A 661 -10.737 1.419 -12.677 1.00 0.00 C ATOM 238 CE1 PHE A 661 -8.446 2.943 -12.881 1.00 0.00 C ATOM 239 CE2 PHE A 661 -10.831 2.785 -12.865 1.00 0.00 C ATOM 240 CZ PHE A 661 -9.685 3.548 -12.965 1.00 0.00 C ATOM 0 H PHE A 661 -7.910 -2.667 -12.185 1.00 0.00 H new ATOM 0 HA PHE A 661 -7.953 -0.336 -10.837 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -8.850 -1.121 -13.222 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.402 -1.114 -12.407 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.387 1.108 -12.627 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -11.637 0.828 -12.596 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -7.548 3.537 -12.961 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -11.801 3.255 -12.934 1.00 0.00 H new ATOM 0 HZ PHE A 661 -9.757 4.616 -13.109 1.00 0.00 H new ATOM 250 N ASP A 662 -10.431 -2.232 -9.813 1.00 0.00 N ATOM 251 CA ASP A 662 -11.437 -2.390 -8.770 1.00 0.00 C ATOM 252 C ASP A 662 -10.781 -2.602 -7.409 1.00 0.00 C ATOM 253 O ASP A 662 -11.289 -2.145 -6.385 1.00 0.00 O ATOM 254 CB ASP A 662 -12.358 -3.567 -9.095 1.00 0.00 C ATOM 255 CG ASP A 662 -13.518 -3.167 -9.986 1.00 0.00 C ATOM 256 OD1 ASP A 662 -14.523 -2.650 -9.455 1.00 0.00 O ATOM 257 OD2 ASP A 662 -13.420 -3.371 -11.214 1.00 0.00 O ATOM 0 H ASP A 662 -10.317 -3.047 -10.416 1.00 0.00 H new ATOM 0 HA ASP A 662 -12.029 -1.476 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -11.781 -4.351 -9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -12.745 -3.988 -8.167 1.00 0.00 H new ATOM 262 N PHE A 663 -9.650 -3.299 -7.406 1.00 0.00 N ATOM 263 CA PHE A 663 -8.924 -3.573 -6.171 1.00 0.00 C ATOM 264 C PHE A 663 -8.985 -2.376 -5.227 1.00 0.00 C ATOM 265 O PHE A 663 -8.460 -1.304 -5.529 1.00 0.00 O ATOM 266 CB PHE A 663 -7.466 -3.922 -6.477 1.00 0.00 C ATOM 267 CG PHE A 663 -6.859 -4.879 -5.491 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.261 -6.204 -5.454 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.885 -4.453 -4.602 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.704 -7.086 -4.547 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.324 -5.330 -3.694 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.734 -6.649 -3.667 1.00 0.00 C ATOM 0 H PHE A 663 -9.216 -3.685 -8.245 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.398 -4.424 -5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.406 -4.355 -7.475 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.877 -3.005 -6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.018 -6.552 -6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.561 -3.423 -4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.027 -8.116 -4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.566 -4.985 -3.006 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.297 -7.337 -2.959 1.00 0.00 H new ATOM 282 N THR A 664 -9.632 -2.566 -4.080 1.00 0.00 N ATOM 283 CA THR A 664 -9.764 -1.503 -3.092 1.00 0.00 C ATOM 284 C THR A 664 -8.794 -1.706 -1.933 1.00 0.00 C ATOM 285 O THR A 664 -8.056 -2.690 -1.895 1.00 0.00 O ATOM 286 CB THR A 664 -11.199 -1.426 -2.539 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.548 -2.663 -1.908 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.192 -1.120 -3.650 1.00 0.00 C ATOM 0 H THR A 664 -10.072 -3.447 -3.813 1.00 0.00 H new ATOM 0 HA THR A 664 -9.528 -0.568 -3.600 1.00 0.00 H new ATOM 0 HB THR A 664 -11.239 -0.620 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.461 -2.605 -1.558 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.199 -1.071 -3.235 1.00 0.00 H new ATOM 0 HG22 THR A 664 -11.941 -0.164 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.149 -1.906 -4.404 1.00 0.00 H new ATOM 296 N TRP A 665 -8.802 -0.770 -0.991 1.00 0.00 N ATOM 297 CA TRP A 665 -7.923 -0.847 0.170 1.00 0.00 C ATOM 298 C TRP A 665 -8.261 -2.061 1.029 1.00 0.00 C ATOM 299 O TRP A 665 -7.377 -2.825 1.417 1.00 0.00 O ATOM 300 CB TRP A 665 -8.032 0.430 1.004 1.00 0.00 C ATOM 301 CG TRP A 665 -9.171 0.408 1.978 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.334 1.120 1.896 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.255 -0.364 3.181 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.136 0.837 2.975 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.497 -0.071 3.778 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.404 -1.275 3.811 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -10.904 -0.656 4.974 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.809 -1.855 4.998 1.00 0.00 C ATOM 309 CH2 TRP A 665 -10.051 -1.545 5.569 1.00 0.00 C ATOM 0 H TRP A 665 -9.407 0.051 -1.008 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.899 -0.952 -0.187 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.100 0.580 1.549 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.151 1.283 0.336 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.586 1.805 1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.058 1.238 3.150 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.446 -1.522 3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -11.860 -0.416 5.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.158 -2.559 5.494 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.340 -2.017 6.496 1.00 0.00 H new ATOM 320 N LYS A 666 -9.545 -2.233 1.322 1.00 0.00 N ATOM 321 CA LYS A 666 -10.001 -3.355 2.134 1.00 0.00 C ATOM 322 C LYS A 666 -9.413 -4.668 1.627 1.00 0.00 C ATOM 323 O LYS A 666 -8.751 -5.391 2.372 1.00 0.00 O ATOM 324 CB LYS A 666 -11.530 -3.431 2.124 1.00 0.00 C ATOM 325 CG LYS A 666 -12.097 -4.417 3.131 1.00 0.00 C ATOM 326 CD LYS A 666 -12.062 -3.854 4.542 1.00 0.00 C ATOM 327 CE LYS A 666 -13.065 -4.554 5.446 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.464 -4.367 4.970 1.00 0.00 N ATOM 0 H LYS A 666 -10.289 -1.609 1.009 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.658 -3.194 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.936 -2.441 2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.865 -3.712 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.124 -4.663 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.526 -5.345 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -11.059 -3.965 4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -12.279 -2.786 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -12.835 -5.619 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -12.972 -4.167 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -15.118 -4.448 5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -14.561 -3.426 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -14.691 -5.096 4.264 1.00 0.00 H new ATOM 342 N MET A 667 -9.658 -4.970 0.356 1.00 0.00 N ATOM 343 CA MET A 667 -9.150 -6.195 -0.250 1.00 0.00 C ATOM 344 C MET A 667 -7.634 -6.282 -0.109 1.00 0.00 C ATOM 345 O MET A 667 -7.100 -7.291 0.354 1.00 0.00 O ATOM 346 CB MET A 667 -9.541 -6.258 -1.727 1.00 0.00 C ATOM 347 CG MET A 667 -10.968 -6.730 -1.958 1.00 0.00 C ATOM 348 SD MET A 667 -11.181 -7.541 -3.554 1.00 0.00 S ATOM 349 CE MET A 667 -11.015 -6.148 -4.668 1.00 0.00 C ATOM 0 H MET A 667 -10.205 -4.383 -0.274 1.00 0.00 H new ATOM 0 HA MET A 667 -9.595 -7.042 0.272 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.418 -5.270 -2.170 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.857 -6.928 -2.247 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.251 -7.420 -1.163 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.643 -5.877 -1.895 1.00 0.00 H new ATOM 0 HE1 MET A 667 -11.974 -5.948 -5.146 1.00 0.00 H new ATOM 0 HE2 MET A 667 -10.699 -5.269 -4.106 1.00 0.00 H new ATOM 0 HE3 MET A 667 -10.270 -6.378 -5.430 1.00 0.00 H new ATOM 359 N LEU A 668 -6.944 -5.220 -0.512 1.00 0.00 N ATOM 360 CA LEU A 668 -5.488 -5.178 -0.431 1.00 0.00 C ATOM 361 C LEU A 668 -5.003 -5.690 0.922 1.00 0.00 C ATOM 362 O LEU A 668 -4.035 -6.447 1.000 1.00 0.00 O ATOM 363 CB LEU A 668 -4.987 -3.750 -0.658 1.00 0.00 C ATOM 364 CG LEU A 668 -3.551 -3.465 -0.218 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.561 -4.129 -1.162 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.302 -1.966 -0.148 1.00 0.00 C ATOM 0 H LEU A 668 -7.369 -4.377 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.086 -5.826 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.073 -3.521 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.650 -3.065 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.407 -3.883 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.544 -3.915 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.723 -5.207 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.705 -3.742 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.275 -1.782 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.465 -1.524 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.988 -1.516 0.570 1.00 0.00 H new ATOM 378 N LYS A 669 -5.683 -5.273 1.985 1.00 0.00 N ATOM 379 CA LYS A 669 -5.324 -5.692 3.335 1.00 0.00 C ATOM 380 C LYS A 669 -5.562 -7.187 3.522 1.00 0.00 C ATOM 381 O LYS A 669 -4.616 -7.968 3.622 1.00 0.00 O ATOM 382 CB LYS A 669 -6.133 -4.903 4.367 1.00 0.00 C ATOM 383 CG LYS A 669 -6.061 -5.483 5.769 1.00 0.00 C ATOM 384 CD LYS A 669 -6.913 -4.689 6.745 1.00 0.00 C ATOM 385 CE LYS A 669 -6.184 -3.450 7.241 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.805 -2.898 8.476 1.00 0.00 N ATOM 0 H LYS A 669 -6.486 -4.645 1.938 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.263 -5.490 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.773 -3.875 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.175 -4.869 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.396 -6.520 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -5.025 -5.488 6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -7.844 -4.395 6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.180 -5.319 7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -5.141 -3.697 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -6.189 -2.689 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.279 -2.055 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.793 -2.638 8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -6.777 -3.615 9.229 1.00 0.00 H new ATOM 400 N ASP A 670 -6.831 -7.578 3.567 1.00 0.00 N ATOM 401 CA ASP A 670 -7.193 -8.980 3.740 1.00 0.00 C ATOM 402 C ASP A 670 -6.410 -9.866 2.776 1.00 0.00 C ATOM 403 O ASP A 670 -6.206 -11.053 3.033 1.00 0.00 O ATOM 404 CB ASP A 670 -8.695 -9.172 3.522 1.00 0.00 C ATOM 405 CG ASP A 670 -9.081 -10.633 3.410 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.765 -11.404 4.341 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.702 -11.006 2.393 1.00 0.00 O ATOM 0 H ASP A 670 -7.626 -6.944 3.486 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.941 -9.271 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.240 -8.717 4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.997 -8.649 2.615 1.00 0.00 H new ATOM 412 N LYS A 671 -5.974 -9.282 1.665 1.00 0.00 N ATOM 413 CA LYS A 671 -5.213 -10.017 0.662 1.00 0.00 C ATOM 414 C LYS A 671 -3.830 -10.387 1.190 1.00 0.00 C ATOM 415 O LYS A 671 -3.381 -11.524 1.042 1.00 0.00 O ATOM 416 CB LYS A 671 -5.076 -9.185 -0.616 1.00 0.00 C ATOM 417 CG LYS A 671 -4.520 -9.966 -1.794 1.00 0.00 C ATOM 418 CD LYS A 671 -5.547 -10.936 -2.355 1.00 0.00 C ATOM 419 CE LYS A 671 -4.891 -12.008 -3.211 1.00 0.00 C ATOM 420 NZ LYS A 671 -5.651 -13.289 -3.174 1.00 0.00 N ATOM 0 H LYS A 671 -6.135 -8.301 1.436 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.754 -10.936 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.053 -8.785 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.426 -8.333 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -4.207 -9.274 -2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.632 -10.515 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -6.091 -11.406 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -6.278 -10.389 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -4.820 -11.657 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -3.873 -12.179 -2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -5.172 -13.994 -3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -5.697 -13.637 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -6.615 -13.131 -3.531 1.00 0.00 H new ATOM 434 N PHE A 672 -3.160 -9.420 1.808 1.00 0.00 N ATOM 435 CA PHE A 672 -1.829 -9.644 2.359 1.00 0.00 C ATOM 436 C PHE A 672 -1.914 -10.273 3.747 1.00 0.00 C ATOM 437 O PHE A 672 -0.927 -10.795 4.264 1.00 0.00 O ATOM 438 CB PHE A 672 -1.055 -8.326 2.431 1.00 0.00 C ATOM 439 CG PHE A 672 -0.351 -7.974 1.151 1.00 0.00 C ATOM 440 CD1 PHE A 672 -1.047 -7.405 0.097 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.006 -8.211 1.003 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.402 -7.081 -1.082 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.656 -7.889 -0.173 1.00 0.00 C ATOM 444 CZ PHE A 672 0.951 -7.322 -1.217 1.00 0.00 C ATOM 0 H PHE A 672 -3.517 -8.474 1.940 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.301 -10.332 1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.745 -7.523 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.321 -8.388 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.105 -7.212 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.562 -8.653 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -0.956 -6.640 -1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.714 -8.080 -0.276 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.457 -7.068 -2.137 1.00 0.00 H new ATOM 454 N ASN A 673 -3.100 -10.217 4.344 1.00 0.00 N ATOM 455 CA ASN A 673 -3.314 -10.780 5.672 1.00 0.00 C ATOM 456 C ASN A 673 -2.770 -12.203 5.754 1.00 0.00 C ATOM 457 O ASN A 673 -2.158 -12.587 6.750 1.00 0.00 O ATOM 458 CB ASN A 673 -4.804 -10.771 6.018 1.00 0.00 C ATOM 459 CG ASN A 673 -5.230 -9.490 6.710 1.00 0.00 C ATOM 460 OD1 ASN A 673 -5.951 -9.519 7.707 1.00 0.00 O ATOM 461 ND2 ASN A 673 -4.783 -8.356 6.181 1.00 0.00 N ATOM 0 H ASN A 673 -3.927 -9.788 3.929 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.777 -10.163 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.387 -10.899 5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -5.030 -11.621 6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -5.036 -7.462 6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -4.187 -8.379 5.353 1.00 0.00 H new ATOM 468 N GLU A 674 -2.998 -12.980 4.700 1.00 0.00 N ATOM 469 CA GLU A 674 -2.531 -14.360 4.653 1.00 0.00 C ATOM 470 C GLU A 674 -1.084 -14.461 5.125 1.00 0.00 C ATOM 471 O GLU A 674 -0.702 -15.425 5.790 1.00 0.00 O ATOM 472 CB GLU A 674 -2.656 -14.917 3.233 1.00 0.00 C ATOM 473 CG GLU A 674 -4.089 -15.202 2.815 1.00 0.00 C ATOM 474 CD GLU A 674 -4.635 -16.475 3.434 1.00 0.00 C ATOM 475 OE1 GLU A 674 -3.849 -17.428 3.619 1.00 0.00 O ATOM 476 OE2 GLU A 674 -5.847 -16.518 3.731 1.00 0.00 O ATOM 0 H GLU A 674 -3.503 -12.677 3.867 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.156 -14.951 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -2.217 -14.206 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -2.075 -15.837 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.721 -14.362 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.138 -15.280 1.729 1.00 0.00 H new ATOM 483 N CYS A 675 -0.283 -13.460 4.776 1.00 0.00 N ATOM 484 CA CYS A 675 1.124 -13.436 5.162 1.00 0.00 C ATOM 485 C CYS A 675 1.275 -13.116 6.645 1.00 0.00 C ATOM 486 O CYS A 675 2.004 -13.795 7.366 1.00 0.00 O ATOM 487 CB CYS A 675 1.886 -12.407 4.326 1.00 0.00 C ATOM 488 SG CYS A 675 1.629 -12.569 2.543 1.00 0.00 S ATOM 0 H CYS A 675 -0.583 -12.655 4.227 1.00 0.00 H new ATOM 0 HA CYS A 675 1.543 -14.425 4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.584 -11.407 4.637 1.00 0.00 H new ATOM 0 HB3 CYS A 675 2.951 -12.499 4.539 1.00 0.00 H new ATOM 0 HG CYS A 675 1.522 -11.388 2.011 1.00 0.00 H new ATOM 494 N GLY A 676 0.580 -12.075 7.095 1.00 0.00 N ATOM 495 CA GLY A 676 0.652 -11.681 8.490 1.00 0.00 C ATOM 496 C GLY A 676 -0.467 -10.738 8.885 1.00 0.00 C ATOM 497 O GLY A 676 -1.463 -10.611 8.171 1.00 0.00 O ATOM 0 H GLY A 676 -0.032 -11.498 6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.612 -12.571 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.612 -11.200 8.679 1.00 0.00 H new ATOM 501 N HIS A 677 -0.306 -10.076 10.026 1.00 0.00 N ATOM 502 CA HIS A 677 -1.312 -9.141 10.516 1.00 0.00 C ATOM 503 C HIS A 677 -1.111 -7.757 9.905 1.00 0.00 C ATOM 504 O HIS A 677 -0.340 -6.947 10.419 1.00 0.00 O ATOM 505 CB HIS A 677 -1.256 -9.051 12.041 1.00 0.00 C ATOM 506 CG HIS A 677 -2.285 -8.133 12.625 1.00 0.00 C ATOM 507 ND1 HIS A 677 -3.104 -8.491 13.675 1.00 0.00 N ATOM 508 CD2 HIS A 677 -2.625 -6.863 12.301 1.00 0.00 C ATOM 509 CE1 HIS A 677 -3.904 -7.482 13.971 1.00 0.00 C ATOM 510 NE2 HIS A 677 -3.633 -6.482 13.152 1.00 0.00 N ATOM 0 H HIS A 677 0.512 -10.170 10.629 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.293 -9.512 10.218 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.390 -10.048 12.461 1.00 0.00 H new ATOM 0 HB3 HIS A 677 -0.265 -8.710 12.340 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -2.185 -6.262 11.519 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.652 -7.476 14.750 1.00 0.00 H new ATOM 0 HE2 HIS A 677 -4.097 -5.574 13.152 1.00 0.00 H new ATOM 519 N VAL A 678 -1.808 -7.495 8.804 1.00 0.00 N ATOM 520 CA VAL A 678 -1.706 -6.209 8.123 1.00 0.00 C ATOM 521 C VAL A 678 -2.335 -5.096 8.954 1.00 0.00 C ATOM 522 O VAL A 678 -3.442 -5.243 9.473 1.00 0.00 O ATOM 523 CB VAL A 678 -2.386 -6.251 6.742 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.415 -4.863 6.119 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.677 -7.239 5.829 1.00 0.00 C ATOM 0 H VAL A 678 -2.449 -8.155 8.365 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.644 -6.003 7.991 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.415 -6.586 6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.899 -4.912 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.971 -4.185 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.395 -4.496 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.171 -7.256 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.638 -6.936 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.714 -8.234 6.272 1.00 0.00 H new ATOM 535 N LEU A 679 -1.622 -3.982 9.076 1.00 0.00 N ATOM 536 CA LEU A 679 -2.109 -2.841 9.843 1.00 0.00 C ATOM 537 C LEU A 679 -2.495 -1.689 8.921 1.00 0.00 C ATOM 538 O LEU A 679 -3.647 -1.254 8.902 1.00 0.00 O ATOM 539 CB LEU A 679 -1.044 -2.378 10.839 1.00 0.00 C ATOM 540 CG LEU A 679 -0.367 -3.478 11.657 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.944 -2.977 12.244 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.293 -3.971 12.759 1.00 0.00 C ATOM 0 H LEU A 679 -0.704 -3.844 8.653 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.997 -3.156 10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.274 -1.835 10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.504 -1.670 11.529 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.148 -4.314 10.993 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.411 -3.774 12.823 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.612 -2.675 11.437 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.749 -2.123 12.893 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.794 -4.754 13.331 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.544 -3.142 13.421 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.205 -4.371 12.316 1.00 0.00 H new ATOM 554 N TYR A 680 -1.525 -1.201 8.156 1.00 0.00 N ATOM 555 CA TYR A 680 -1.762 -0.099 7.231 1.00 0.00 C ATOM 556 C TYR A 680 -1.956 -0.614 5.809 1.00 0.00 C ATOM 557 O TYR A 680 -1.157 -1.405 5.309 1.00 0.00 O ATOM 558 CB TYR A 680 -0.596 0.890 7.273 1.00 0.00 C ATOM 559 CG TYR A 680 -0.631 1.916 6.163 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.810 2.574 5.835 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.515 2.226 5.441 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.847 3.511 4.820 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.488 3.163 4.426 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.695 3.802 4.119 1.00 0.00 C ATOM 565 OH TYR A 680 -0.728 4.735 3.108 1.00 0.00 O ATOM 0 H TYR A 680 -0.567 -1.551 8.158 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.674 0.412 7.541 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.603 1.406 8.233 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.341 0.336 7.215 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.713 2.349 6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.443 1.726 5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.772 4.012 4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.388 3.394 3.876 1.00 0.00 H new ATOM 0 HH TYR A 680 0.166 4.824 2.716 1.00 0.00 H new ATOM 575 N ALA A 681 -3.023 -0.158 5.161 1.00 0.00 N ATOM 576 CA ALA A 681 -3.321 -0.569 3.795 1.00 0.00 C ATOM 577 C ALA A 681 -4.183 0.469 3.085 1.00 0.00 C ATOM 578 O ALA A 681 -5.246 0.849 3.576 1.00 0.00 O ATOM 579 CB ALA A 681 -4.014 -1.924 3.791 1.00 0.00 C ATOM 0 H ALA A 681 -3.696 0.497 5.561 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.379 -0.653 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.231 -2.219 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.363 -2.667 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.945 -1.858 4.354 1.00 0.00 H new ATOM 585 N ASP A 682 -3.718 0.926 1.927 1.00 0.00 N ATOM 586 CA ASP A 682 -4.447 1.921 1.149 1.00 0.00 C ATOM 587 C ASP A 682 -4.087 1.823 -0.330 1.00 0.00 C ATOM 588 O ASP A 682 -3.019 1.325 -0.688 1.00 0.00 O ATOM 589 CB ASP A 682 -4.145 3.327 1.669 1.00 0.00 C ATOM 590 CG ASP A 682 -5.171 4.345 1.213 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.334 4.255 1.657 1.00 0.00 O ATOM 592 OD2 ASP A 682 -4.811 5.233 0.410 1.00 0.00 O ATOM 0 H ASP A 682 -2.839 0.623 1.507 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.513 1.723 1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -4.114 3.310 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.156 3.633 1.327 1.00 0.00 H new ATOM 597 N ILE A 683 -4.986 2.301 -1.185 1.00 0.00 N ATOM 598 CA ILE A 683 -4.762 2.268 -2.625 1.00 0.00 C ATOM 599 C ILE A 683 -4.414 3.653 -3.160 1.00 0.00 C ATOM 600 O ILE A 683 -5.268 4.537 -3.229 1.00 0.00 O ATOM 601 CB ILE A 683 -5.999 1.737 -3.374 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.342 0.323 -2.899 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.755 1.752 -4.876 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.327 -0.718 -3.316 1.00 0.00 C ATOM 0 H ILE A 683 -5.875 2.715 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.924 1.593 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.845 2.389 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.424 0.324 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.319 0.044 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.638 1.374 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.554 2.772 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.899 1.120 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.635 -1.696 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.261 -0.747 -4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.352 -0.463 -2.900 1.00 0.00 H new ATOM 616 N LYS A 684 -3.154 3.835 -3.539 1.00 0.00 N ATOM 617 CA LYS A 684 -2.691 5.111 -4.071 1.00 0.00 C ATOM 618 C LYS A 684 -3.449 5.477 -5.343 1.00 0.00 C ATOM 619 O LYS A 684 -3.762 4.611 -6.161 1.00 0.00 O ATOM 620 CB LYS A 684 -1.189 5.053 -4.358 1.00 0.00 C ATOM 621 CG LYS A 684 -0.340 4.847 -3.116 1.00 0.00 C ATOM 622 CD LYS A 684 -0.310 6.094 -2.248 1.00 0.00 C ATOM 623 CE LYS A 684 0.745 5.989 -1.157 1.00 0.00 C ATOM 624 NZ LYS A 684 2.097 6.365 -1.654 1.00 0.00 N ATOM 0 H LYS A 684 -2.434 3.114 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.882 5.879 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -0.993 4.243 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.885 5.979 -4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.734 4.010 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.676 4.582 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 684 -0.107 6.966 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.290 6.247 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 684 0.471 6.637 -0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.770 4.969 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 2.787 6.280 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 2.369 5.731 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 2.080 7.347 -1.997 1.00 0.00 H new ATOM 724 N LYS A 691 -4.284 3.814 -9.828 1.00 0.00 N ATOM 725 CA LYS A 691 -3.050 3.570 -10.566 1.00 0.00 C ATOM 726 C LYS A 691 -2.633 2.106 -10.460 1.00 0.00 C ATOM 727 O LYS A 691 -1.717 1.660 -11.150 1.00 0.00 O ATOM 728 CB LYS A 691 -1.930 4.470 -10.040 1.00 0.00 C ATOM 729 CG LYS A 691 -2.050 5.916 -10.487 1.00 0.00 C ATOM 730 CD LYS A 691 -1.395 6.138 -11.840 1.00 0.00 C ATOM 731 CE LYS A 691 0.072 6.512 -11.694 1.00 0.00 C ATOM 732 NZ LYS A 691 0.634 7.057 -12.960 1.00 0.00 N ATOM 0 HA LYS A 691 -3.232 3.803 -11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.928 4.434 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.971 4.074 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -3.102 6.195 -10.541 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.586 6.567 -9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -1.483 5.233 -12.441 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -1.922 6.928 -12.375 1.00 0.00 H new ATOM 0 HE2 LYS A 691 0.181 7.251 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 691 0.642 5.634 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 1.635 7.300 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 0.553 6.343 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 0.106 7.910 -13.235 1.00 0.00 H new ATOM 746 N GLY A 692 -3.313 1.363 -9.593 1.00 0.00 N ATOM 747 CA GLY A 692 -2.999 -0.042 -9.414 1.00 0.00 C ATOM 748 C GLY A 692 -1.823 -0.260 -8.483 1.00 0.00 C ATOM 749 O GLY A 692 -1.293 -1.368 -8.391 1.00 0.00 O ATOM 0 H GLY A 692 -4.076 1.709 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.873 -0.559 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.778 -0.488 -10.384 1.00 0.00 H new ATOM 753 N CYS A 693 -1.414 0.798 -7.792 1.00 0.00 N ATOM 754 CA CYS A 693 -0.291 0.718 -6.865 1.00 0.00 C ATOM 755 C CYS A 693 -0.728 1.080 -5.449 1.00 0.00 C ATOM 756 O CYS A 693 -1.511 2.007 -5.248 1.00 0.00 O ATOM 757 CB CYS A 693 0.837 1.647 -7.316 1.00 0.00 C ATOM 758 SG CYS A 693 0.290 3.314 -7.756 1.00 0.00 S ATOM 0 H CYS A 693 -1.843 1.721 -7.856 1.00 0.00 H new ATOM 0 HA CYS A 693 0.073 -0.309 -6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.576 1.718 -6.518 1.00 0.00 H new ATOM 0 HB3 CYS A 693 1.338 1.202 -8.176 1.00 0.00 H new ATOM 0 HG CYS A 693 1.315 4.025 -8.122 1.00 0.00 H new ATOM 764 N GLY A 694 -0.217 0.340 -4.470 1.00 0.00 N ATOM 765 CA GLY A 694 -0.568 0.597 -3.085 1.00 0.00 C ATOM 766 C GLY A 694 0.562 0.267 -2.130 1.00 0.00 C ATOM 767 O GLY A 694 1.727 0.223 -2.526 1.00 0.00 O ATOM 0 H GLY A 694 0.434 -0.433 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -0.841 1.646 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.447 0.008 -2.821 1.00 0.00 H new ATOM 771 N VAL A 695 0.219 0.034 -0.867 1.00 0.00 N ATOM 772 CA VAL A 695 1.213 -0.293 0.147 1.00 0.00 C ATOM 773 C VAL A 695 0.614 -1.171 1.241 1.00 0.00 C ATOM 774 O VAL A 695 -0.599 -1.179 1.451 1.00 0.00 O ATOM 775 CB VAL A 695 1.800 0.978 0.789 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.682 1.719 -0.204 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.686 1.879 1.301 1.00 0.00 C ATOM 0 H VAL A 695 -0.740 0.066 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 695 2.011 -0.838 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 695 2.417 0.684 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 695 3.088 2.614 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.501 1.071 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 695 2.091 2.004 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 695 1.119 2.772 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 695 0.041 2.167 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 695 0.099 1.344 2.048 1.00 0.00 H new ATOM 787 N VAL A 696 1.473 -1.910 1.936 1.00 0.00 N ATOM 788 CA VAL A 696 1.030 -2.791 3.009 1.00 0.00 C ATOM 789 C VAL A 696 2.053 -2.840 4.138 1.00 0.00 C ATOM 790 O VAL A 696 3.208 -3.211 3.929 1.00 0.00 O ATOM 791 CB VAL A 696 0.780 -4.221 2.495 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.344 -5.130 3.634 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.256 -4.213 1.382 1.00 0.00 C ATOM 0 H VAL A 696 2.480 -1.916 1.775 1.00 0.00 H new ATOM 0 HA VAL A 696 0.094 -2.381 3.388 1.00 0.00 H new ATOM 0 HB VAL A 696 1.713 -4.611 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.172 -6.136 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.124 -5.160 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.577 -4.747 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.420 -5.232 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.193 -3.804 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.102 -3.598 0.556 1.00 0.00 H new ATOM 803 N LYS A 697 1.622 -2.462 5.337 1.00 0.00 N ATOM 804 CA LYS A 697 2.499 -2.464 6.502 1.00 0.00 C ATOM 805 C LYS A 697 2.182 -3.640 7.420 1.00 0.00 C ATOM 806 O LYS A 697 1.031 -4.064 7.527 1.00 0.00 O ATOM 807 CB LYS A 697 2.361 -1.150 7.272 1.00 0.00 C ATOM 808 CG LYS A 697 3.607 -0.768 8.053 1.00 0.00 C ATOM 809 CD LYS A 697 3.308 0.298 9.094 1.00 0.00 C ATOM 810 CE LYS A 697 2.728 -0.309 10.363 1.00 0.00 C ATOM 811 NZ LYS A 697 3.780 -0.940 11.207 1.00 0.00 N ATOM 0 H LYS A 697 0.670 -2.150 5.527 1.00 0.00 H new ATOM 0 HA LYS A 697 3.526 -2.566 6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.123 -0.351 6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.520 -1.229 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.016 -1.652 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.370 -0.403 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 697 4.223 0.840 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.606 1.023 8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 697 2.219 0.466 10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 697 1.978 -1.055 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 3.519 -0.852 12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 3.867 -1.946 10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 4.689 -0.463 11.043 1.00 0.00 H new ATOM 825 N PHE A 698 3.209 -4.162 8.083 1.00 0.00 N ATOM 826 CA PHE A 698 3.039 -5.288 8.993 1.00 0.00 C ATOM 827 C PHE A 698 3.550 -4.942 10.388 1.00 0.00 C ATOM 828 O PHE A 698 4.215 -3.925 10.582 1.00 0.00 O ATOM 829 CB PHE A 698 3.775 -6.518 8.459 1.00 0.00 C ATOM 830 CG PHE A 698 3.229 -7.024 7.154 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.724 -6.548 5.950 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.222 -7.975 7.131 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.224 -7.011 4.748 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.718 -8.442 5.931 1.00 0.00 C ATOM 835 CZ PHE A 698 2.219 -7.959 4.738 1.00 0.00 C ATOM 0 H PHE A 698 4.168 -3.823 8.007 1.00 0.00 H new ATOM 0 HA PHE A 698 1.974 -5.511 9.060 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.830 -6.274 8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.719 -7.315 9.200 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.509 -5.807 5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 698 1.826 -8.356 8.061 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.619 -6.632 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 698 0.933 -9.184 5.927 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.826 -8.321 3.800 1.00 0.00 H new ATOM 845 N GLU A 699 3.233 -5.796 11.357 1.00 0.00 N ATOM 846 CA GLU A 699 3.658 -5.579 12.735 1.00 0.00 C ATOM 847 C GLU A 699 5.170 -5.739 12.869 1.00 0.00 C ATOM 848 O GLU A 699 5.844 -4.897 13.462 1.00 0.00 O ATOM 849 CB GLU A 699 2.946 -6.557 13.672 1.00 0.00 C ATOM 850 CG GLU A 699 1.438 -6.375 13.709 1.00 0.00 C ATOM 851 CD GLU A 699 0.764 -7.293 14.710 1.00 0.00 C ATOM 852 OE1 GLU A 699 0.770 -8.522 14.485 1.00 0.00 O ATOM 853 OE2 GLU A 699 0.232 -6.784 15.719 1.00 0.00 O ATOM 0 H GLU A 699 2.684 -6.643 11.213 1.00 0.00 H new ATOM 0 HA GLU A 699 3.391 -4.560 13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.173 -7.576 13.360 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.343 -6.436 14.680 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.207 -5.339 13.958 1.00 0.00 H new ATOM 0 HG3 GLU A 699 1.029 -6.563 12.716 1.00 0.00 H new ATOM 860 N SER A 700 5.696 -6.826 12.313 1.00 0.00 N ATOM 861 CA SER A 700 7.127 -7.100 12.374 1.00 0.00 C ATOM 862 C SER A 700 7.763 -6.972 10.993 1.00 0.00 C ATOM 863 O SER A 700 7.141 -7.248 9.967 1.00 0.00 O ATOM 864 CB SER A 700 7.376 -8.501 12.935 1.00 0.00 C ATOM 865 OG SER A 700 6.897 -8.611 14.264 1.00 0.00 O ATOM 0 H SER A 700 5.153 -7.531 11.815 1.00 0.00 H new ATOM 0 HA SER A 700 7.585 -6.365 13.036 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.883 -9.241 12.305 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.443 -8.722 12.910 1.00 0.00 H new ATOM 0 HG SER A 700 7.067 -9.516 14.599 1.00 0.00 H new ATOM 871 N PRO A 701 9.034 -6.544 10.966 1.00 0.00 N ATOM 872 CA PRO A 701 9.784 -6.370 9.718 1.00 0.00 C ATOM 873 C PRO A 701 10.115 -7.700 9.050 1.00 0.00 C ATOM 874 O PRO A 701 10.339 -7.759 7.842 1.00 0.00 O ATOM 875 CB PRO A 701 11.065 -5.665 10.170 1.00 0.00 C ATOM 876 CG PRO A 701 11.228 -6.054 11.599 1.00 0.00 C ATOM 877 CD PRO A 701 9.837 -6.197 12.150 1.00 0.00 C ATOM 0 HA PRO A 701 9.214 -5.813 8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 701 11.922 -5.980 9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 701 10.981 -4.584 10.061 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.781 -6.989 11.688 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.789 -5.298 12.148 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.785 -6.974 12.912 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.491 -5.273 12.613 1.00 0.00 H new ATOM 885 N GLU A 702 10.144 -8.765 9.846 1.00 0.00 N ATOM 886 CA GLU A 702 10.448 -10.095 9.330 1.00 0.00 C ATOM 887 C GLU A 702 9.316 -10.607 8.443 1.00 0.00 C ATOM 888 O GLU A 702 9.552 -11.312 7.462 1.00 0.00 O ATOM 889 CB GLU A 702 10.688 -11.071 10.483 1.00 0.00 C ATOM 890 CG GLU A 702 9.455 -11.325 11.333 1.00 0.00 C ATOM 891 CD GLU A 702 9.558 -12.601 12.146 1.00 0.00 C ATOM 892 OE1 GLU A 702 9.508 -13.693 11.543 1.00 0.00 O ATOM 893 OE2 GLU A 702 9.689 -12.507 13.384 1.00 0.00 O ATOM 0 H GLU A 702 9.961 -8.733 10.849 1.00 0.00 H new ATOM 0 HA GLU A 702 11.354 -10.025 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 702 11.041 -12.019 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.483 -10.681 11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 702 9.303 -10.481 12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.579 -11.380 10.687 1.00 0.00 H new ATOM 900 N VAL A 703 8.087 -10.247 8.797 1.00 0.00 N ATOM 901 CA VAL A 703 6.918 -10.668 8.034 1.00 0.00 C ATOM 902 C VAL A 703 6.978 -10.146 6.603 1.00 0.00 C ATOM 903 O VAL A 703 6.979 -10.922 5.648 1.00 0.00 O ATOM 904 CB VAL A 703 5.613 -10.182 8.692 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.454 -10.274 7.712 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.321 -10.983 9.952 1.00 0.00 C ATOM 0 H VAL A 703 7.875 -9.665 9.607 1.00 0.00 H new ATOM 0 HA VAL A 703 6.925 -11.758 8.020 1.00 0.00 H new ATOM 0 HB VAL A 703 5.737 -9.136 8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.541 -9.926 8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.663 -9.652 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.326 -11.309 7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.395 -10.626 10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.217 -12.038 9.697 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.141 -10.860 10.660 1.00 0.00 H new ATOM 916 N ALA A 704 7.027 -8.825 6.462 1.00 0.00 N ATOM 917 CA ALA A 704 7.090 -8.199 5.148 1.00 0.00 C ATOM 918 C ALA A 704 8.034 -8.959 4.222 1.00 0.00 C ATOM 919 O ALA A 704 7.619 -9.470 3.183 1.00 0.00 O ATOM 920 CB ALA A 704 7.527 -6.747 5.275 1.00 0.00 C ATOM 0 H ALA A 704 7.024 -8.168 7.242 1.00 0.00 H new ATOM 0 HA ALA A 704 6.092 -8.229 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.570 -6.292 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.812 -6.205 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.513 -6.703 5.737 1.00 0.00 H new ATOM 926 N GLU A 705 9.304 -9.027 4.606 1.00 0.00 N ATOM 927 CA GLU A 705 10.307 -9.723 3.808 1.00 0.00 C ATOM 928 C GLU A 705 9.750 -11.033 3.257 1.00 0.00 C ATOM 929 O GLU A 705 10.129 -11.473 2.172 1.00 0.00 O ATOM 930 CB GLU A 705 11.556 -10.000 4.647 1.00 0.00 C ATOM 931 CG GLU A 705 12.564 -8.863 4.632 1.00 0.00 C ATOM 932 CD GLU A 705 13.934 -9.291 5.120 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.558 -10.147 4.458 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.382 -8.772 6.163 1.00 0.00 O ATOM 0 H GLU A 705 9.663 -8.609 5.464 1.00 0.00 H new ATOM 0 HA GLU A 705 10.577 -9.081 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.256 -10.195 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.037 -10.906 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.650 -8.472 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.197 -8.049 5.258 1.00 0.00 H new ATOM 941 N ARG A 706 8.848 -11.650 4.014 1.00 0.00 N ATOM 942 CA ARG A 706 8.240 -12.910 3.603 1.00 0.00 C ATOM 943 C ARG A 706 7.116 -12.669 2.600 1.00 0.00 C ATOM 944 O ARG A 706 7.059 -13.311 1.551 1.00 0.00 O ATOM 945 CB ARG A 706 7.699 -13.661 4.821 1.00 0.00 C ATOM 946 CG ARG A 706 7.285 -15.092 4.520 1.00 0.00 C ATOM 947 CD ARG A 706 6.259 -15.597 5.523 1.00 0.00 C ATOM 948 NE ARG A 706 6.867 -15.935 6.806 1.00 0.00 N ATOM 949 CZ ARG A 706 6.169 -16.274 7.884 1.00 0.00 C ATOM 950 NH1 ARG A 706 4.845 -16.320 7.833 1.00 0.00 N ATOM 951 NH2 ARG A 706 6.795 -16.568 9.016 1.00 0.00 N ATOM 0 H ARG A 706 8.522 -11.298 4.914 1.00 0.00 H new ATOM 0 HA ARG A 706 9.008 -13.516 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.461 -13.669 5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.841 -13.120 5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.870 -15.148 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.163 -15.738 4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 706 5.494 -14.835 5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.758 -16.476 5.117 1.00 0.00 H new ATOM 0 HE ARG A 706 7.884 -15.909 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 706 4.360 -16.095 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 706 4.311 -16.581 8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 706 7.814 -16.534 9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 706 6.258 -16.828 9.843 1.00 0.00 H new ATOM 965 N ALA A 707 6.224 -11.741 2.930 1.00 0.00 N ATOM 966 CA ALA A 707 5.103 -11.415 2.057 1.00 0.00 C ATOM 967 C ALA A 707 5.590 -10.911 0.703 1.00 0.00 C ATOM 968 O ALA A 707 5.186 -11.424 -0.342 1.00 0.00 O ATOM 969 CB ALA A 707 4.205 -10.378 2.717 1.00 0.00 C ATOM 0 H ALA A 707 6.256 -11.202 3.795 1.00 0.00 H new ATOM 0 HA ALA A 707 4.527 -12.325 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.372 -10.144 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.821 -10.775 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.779 -9.472 2.913 1.00 0.00 H new ATOM 975 N CYS A 708 6.457 -9.905 0.728 1.00 0.00 N ATOM 976 CA CYS A 708 6.998 -9.331 -0.499 1.00 0.00 C ATOM 977 C CYS A 708 7.286 -10.420 -1.528 1.00 0.00 C ATOM 978 O CYS A 708 7.012 -10.253 -2.716 1.00 0.00 O ATOM 979 CB CYS A 708 8.274 -8.545 -0.199 1.00 0.00 C ATOM 980 SG CYS A 708 9.773 -9.555 -0.166 1.00 0.00 S ATOM 0 H CYS A 708 6.800 -9.470 1.584 1.00 0.00 H new ATOM 0 HA CYS A 708 6.252 -8.653 -0.914 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.392 -7.764 -0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 708 8.163 -8.047 0.764 1.00 0.00 H new ATOM 0 HG CYS A 708 9.697 -10.413 0.808 1.00 0.00 H new ATOM 986 N ARG A 709 7.842 -11.533 -1.063 1.00 0.00 N ATOM 987 CA ARG A 709 8.171 -12.648 -1.943 1.00 0.00 C ATOM 988 C ARG A 709 6.956 -13.546 -2.159 1.00 0.00 C ATOM 989 O ARG A 709 6.718 -14.028 -3.266 1.00 0.00 O ATOM 990 CB ARG A 709 9.324 -13.465 -1.358 1.00 0.00 C ATOM 991 CG ARG A 709 10.695 -13.006 -1.827 1.00 0.00 C ATOM 992 CD ARG A 709 11.756 -13.243 -0.763 1.00 0.00 C ATOM 993 NE ARG A 709 13.087 -13.399 -1.344 1.00 0.00 N ATOM 994 CZ ARG A 709 13.743 -12.418 -1.952 1.00 0.00 C ATOM 995 NH1 ARG A 709 13.194 -11.215 -2.059 1.00 0.00 N ATOM 996 NH2 ARG A 709 14.951 -12.637 -2.455 1.00 0.00 N ATOM 0 H ARG A 709 8.074 -11.687 -0.082 1.00 0.00 H new ATOM 0 HA ARG A 709 8.477 -12.240 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.283 -13.408 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 709 9.189 -14.513 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 709 10.966 -13.539 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.659 -11.946 -2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 709 11.761 -12.407 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.503 -14.136 -0.191 1.00 0.00 H new ATOM 0 HE ARG A 709 13.537 -14.312 -1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 709 12.266 -11.042 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 709 13.700 -10.463 -2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 709 15.377 -13.560 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 709 15.454 -11.882 -2.922 1.00 0.00 H new ATOM 1010 N MET A 710 6.192 -13.766 -1.094 1.00 0.00 N ATOM 1011 CA MET A 710 5.002 -14.606 -1.168 1.00 0.00 C ATOM 1012 C MET A 710 3.922 -13.944 -2.018 1.00 0.00 C ATOM 1013 O MET A 710 2.896 -14.553 -2.319 1.00 0.00 O ATOM 1014 CB MET A 710 4.462 -14.887 0.235 1.00 0.00 C ATOM 1015 CG MET A 710 5.053 -16.133 0.875 1.00 0.00 C ATOM 1016 SD MET A 710 3.944 -16.889 2.079 1.00 0.00 S ATOM 1017 CE MET A 710 3.898 -15.620 3.341 1.00 0.00 C ATOM 0 H MET A 710 6.375 -13.375 -0.170 1.00 0.00 H new ATOM 0 HA MET A 710 5.282 -15.549 -1.637 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.668 -14.028 0.874 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.378 -14.994 0.184 1.00 0.00 H new ATOM 0 HG2 MET A 710 5.288 -16.860 0.097 1.00 0.00 H new ATOM 0 HG3 MET A 710 5.992 -15.875 1.364 1.00 0.00 H new ATOM 0 HE1 MET A 710 3.899 -16.086 4.326 1.00 0.00 H new ATOM 0 HE2 MET A 710 4.773 -14.977 3.243 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.994 -15.022 3.223 1.00 0.00 H new ATOM 1027 N MET A 711 4.160 -12.694 -2.401 1.00 0.00 N ATOM 1028 CA MET A 711 3.207 -11.950 -3.217 1.00 0.00 C ATOM 1029 C MET A 711 3.849 -11.494 -4.523 1.00 0.00 C ATOM 1030 O MET A 711 3.175 -11.364 -5.544 1.00 0.00 O ATOM 1031 CB MET A 711 2.677 -10.740 -2.445 1.00 0.00 C ATOM 1032 CG MET A 711 2.018 -11.102 -1.124 1.00 0.00 C ATOM 1033 SD MET A 711 0.687 -12.304 -1.319 1.00 0.00 S ATOM 1034 CE MET A 711 -0.746 -11.274 -1.013 1.00 0.00 C ATOM 0 H MET A 711 5.004 -12.175 -2.160 1.00 0.00 H new ATOM 0 HA MET A 711 2.375 -12.613 -3.454 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.501 -10.052 -2.254 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.957 -10.209 -3.068 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.770 -11.505 -0.446 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.622 -10.199 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.616 -11.705 -1.507 1.00 0.00 H new ATOM 0 HE2 MET A 711 -0.930 -11.216 0.060 1.00 0.00 H new ATOM 0 HE3 MET A 711 -0.565 -10.273 -1.405 1.00 0.00 H new ATOM 1044 N ASN A 712 5.155 -11.252 -4.482 1.00 0.00 N ATOM 1045 CA ASN A 712 5.888 -10.810 -5.663 1.00 0.00 C ATOM 1046 C ASN A 712 5.506 -11.641 -6.884 1.00 0.00 C ATOM 1047 O ASN A 712 5.890 -12.804 -7.000 1.00 0.00 O ATOM 1048 CB ASN A 712 7.395 -10.904 -5.419 1.00 0.00 C ATOM 1049 CG ASN A 712 8.182 -11.039 -6.708 1.00 0.00 C ATOM 1050 OD1 ASN A 712 8.712 -12.107 -7.016 1.00 0.00 O ATOM 1051 ND2 ASN A 712 8.263 -9.953 -7.468 1.00 0.00 N ATOM 0 H ASN A 712 5.728 -11.354 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 712 5.622 -9.771 -5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.730 -10.016 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.604 -11.760 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 712 8.780 -9.983 -8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 712 7.808 -9.089 -7.173 1.00 0.00 H new ATOM 1058 N GLY A 713 4.747 -11.036 -7.792 1.00 0.00 N ATOM 1059 CA GLY A 713 4.326 -11.735 -8.992 1.00 0.00 C ATOM 1060 C GLY A 713 3.008 -12.460 -8.808 1.00 0.00 C ATOM 1061 O GLY A 713 2.735 -13.448 -9.490 1.00 0.00 O ATOM 0 H GLY A 713 4.416 -10.074 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.233 -11.022 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 713 5.095 -12.452 -9.280 1.00 0.00 H new ATOM 1065 N MET A 714 2.189 -11.971 -7.883 1.00 0.00 N ATOM 1066 CA MET A 714 0.892 -12.581 -7.611 1.00 0.00 C ATOM 1067 C MET A 714 -0.109 -12.242 -8.710 1.00 0.00 C ATOM 1068 O MET A 714 -0.681 -11.152 -8.729 1.00 0.00 O ATOM 1069 CB MET A 714 0.358 -12.113 -6.256 1.00 0.00 C ATOM 1070 CG MET A 714 -1.068 -12.558 -5.978 1.00 0.00 C ATOM 1071 SD MET A 714 -1.510 -12.425 -4.235 1.00 0.00 S ATOM 1072 CE MET A 714 -1.391 -10.655 -3.989 1.00 0.00 C ATOM 0 H MET A 714 2.400 -11.155 -7.309 1.00 0.00 H new ATOM 0 HA MET A 714 1.025 -13.663 -7.586 1.00 0.00 H new ATOM 0 HB2 MET A 714 1.008 -12.492 -5.468 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.405 -11.025 -6.212 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.755 -11.953 -6.570 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.192 -13.591 -6.302 1.00 0.00 H new ATOM 0 HE1 MET A 714 -2.107 -10.344 -3.228 1.00 0.00 H new ATOM 0 HE2 MET A 714 -0.383 -10.400 -3.663 1.00 0.00 H new ATOM 0 HE3 MET A 714 -1.611 -10.142 -4.925 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.318 -13.183 -9.625 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.251 -12.985 -10.728 1.00 0.00 C ATOM 1084 C LYS A 715 -2.642 -12.634 -10.208 1.00 0.00 C ATOM 1085 O LYS A 715 -3.386 -13.507 -9.759 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.322 -14.243 -11.595 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.331 -14.245 -12.746 1.00 0.00 C ATOM 1088 CD LYS A 715 -0.922 -13.609 -13.993 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.229 -14.104 -15.253 1.00 0.00 C ATOM 1090 NZ LYS A 715 -0.740 -13.418 -16.473 1.00 0.00 N ATOM 0 H LYS A 715 0.147 -14.091 -9.624 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.888 -12.154 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.140 -15.116 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.331 -14.342 -11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.569 -13.705 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.030 -15.269 -12.967 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -1.987 -13.836 -14.049 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -0.830 -12.525 -13.928 1.00 0.00 H new ATOM 0 HE2 LYS A 715 0.845 -13.938 -15.166 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -0.379 -15.179 -15.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -0.243 -13.783 -17.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -1.760 -13.597 -16.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -0.574 -12.395 -16.391 1.00 0.00 H new ATOM 1104 N LEU A 716 -2.987 -11.353 -10.272 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.289 -10.887 -9.808 1.00 0.00 C ATOM 1106 C LEU A 716 -5.246 -10.692 -10.980 1.00 0.00 C ATOM 1107 O LEU A 716 -4.967 -9.923 -11.900 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.138 -9.577 -9.034 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.659 -9.703 -7.588 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.338 -8.333 -7.010 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.705 -10.411 -6.739 1.00 0.00 C ATOM 0 H LEU A 716 -2.383 -10.618 -10.641 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.705 -11.646 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.438 -8.938 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.101 -9.066 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.748 -10.301 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.999 -8.443 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.553 -7.863 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.232 -7.710 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.347 -10.492 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.634 -9.841 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -4.885 -11.408 -7.140 1.00 0.00 H new ATOM 1123 N SER A 717 -6.376 -11.390 -10.938 1.00 0.00 N ATOM 1124 CA SER A 717 -7.374 -11.295 -11.997 1.00 0.00 C ATOM 1125 C SER A 717 -6.706 -11.171 -13.363 1.00 0.00 C ATOM 1126 O SER A 717 -7.136 -10.388 -14.209 1.00 0.00 O ATOM 1127 CB SER A 717 -8.292 -10.095 -11.755 1.00 0.00 C ATOM 1128 OG SER A 717 -9.301 -10.017 -12.746 1.00 0.00 O ATOM 0 H SER A 717 -6.624 -12.028 -10.182 1.00 0.00 H new ATOM 0 HA SER A 717 -7.970 -12.208 -11.984 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.751 -10.177 -10.770 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.704 -9.177 -11.757 1.00 0.00 H new ATOM 0 HG SER A 717 -8.902 -10.152 -13.631 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.649 -11.951 -13.571 1.00 0.00 N ATOM 1135 CA GLY A 718 -4.938 -11.914 -14.836 1.00 0.00 C ATOM 1136 C GLY A 718 -4.024 -10.711 -14.952 1.00 0.00 C ATOM 1137 O GLY A 718 -3.846 -10.161 -16.039 1.00 0.00 O ATOM 0 H GLY A 718 -5.273 -12.607 -12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.350 -12.825 -14.945 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.658 -11.899 -15.654 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.443 -10.300 -13.829 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.545 -9.152 -13.809 1.00 0.00 C ATOM 1143 C ARG A 719 -1.433 -9.349 -12.783 1.00 0.00 C ATOM 1144 O ARG A 719 -1.676 -9.317 -11.577 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.324 -7.873 -13.494 1.00 0.00 C ATOM 1146 CG ARG A 719 -4.426 -7.569 -14.495 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.556 -6.776 -13.856 1.00 0.00 C ATOM 1148 NE ARG A 719 -5.345 -5.335 -13.971 1.00 0.00 N ATOM 1149 CZ ARG A 719 -4.628 -4.626 -13.107 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -4.054 -5.221 -12.071 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -4.482 -3.318 -13.280 1.00 0.00 N ATOM 0 H ARG A 719 -3.578 -10.745 -12.921 1.00 0.00 H new ATOM 0 HA ARG A 719 -2.092 -9.060 -14.796 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.762 -7.960 -12.500 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.630 -7.033 -13.464 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -4.013 -7.006 -15.332 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.818 -8.502 -14.900 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -6.500 -7.043 -14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -5.640 -7.048 -12.804 1.00 0.00 H new ATOM 0 HE ARG A 719 -5.772 -4.847 -14.758 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -4.162 -6.226 -11.936 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -3.504 -4.674 -11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -4.921 -2.857 -14.077 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -3.931 -2.774 -12.616 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.214 -9.554 -13.271 1.00 0.00 N ATOM 1166 CA GLU A 720 0.934 -9.758 -12.396 1.00 0.00 C ATOM 1167 C GLU A 720 1.300 -8.467 -11.668 1.00 0.00 C ATOM 1168 O GLU A 720 1.527 -7.432 -12.294 1.00 0.00 O ATOM 1169 CB GLU A 720 2.135 -10.260 -13.201 1.00 0.00 C ATOM 1170 CG GLU A 720 2.160 -11.768 -13.380 1.00 0.00 C ATOM 1171 CD GLU A 720 3.005 -12.201 -14.562 1.00 0.00 C ATOM 1172 OE1 GLU A 720 3.001 -11.487 -15.587 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.671 -13.253 -14.463 1.00 0.00 O ATOM 0 H GLU A 720 0.004 -9.583 -14.267 1.00 0.00 H new ATOM 0 HA GLU A 720 0.663 -10.509 -11.654 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.127 -9.786 -14.183 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.052 -9.946 -12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.547 -12.231 -12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.141 -12.131 -13.514 1.00 0.00 H new ATOM 1180 N ILE A 721 1.353 -8.538 -10.342 1.00 0.00 N ATOM 1181 CA ILE A 721 1.691 -7.376 -9.529 1.00 0.00 C ATOM 1182 C ILE A 721 3.158 -7.404 -9.113 1.00 0.00 C ATOM 1183 O ILE A 721 3.760 -8.471 -8.994 1.00 0.00 O ATOM 1184 CB ILE A 721 0.812 -7.298 -8.266 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.087 -8.494 -7.352 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.660 -7.244 -8.648 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.559 -8.314 -5.946 1.00 0.00 C ATOM 0 H ILE A 721 1.166 -9.387 -9.808 1.00 0.00 H new ATOM 0 HA ILE A 721 1.507 -6.496 -10.145 1.00 0.00 H new ATOM 0 HB ILE A 721 1.061 -6.386 -7.724 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.637 -9.386 -7.789 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.162 -8.668 -7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.268 -7.189 -7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.844 -6.364 -9.264 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.923 -8.141 -9.209 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.790 -9.200 -5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 721 1.027 -7.442 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.521 -8.171 -5.979 1.00 0.00 H new ATOM 1199 N ASP A 722 3.726 -6.224 -8.891 1.00 0.00 N ATOM 1200 CA ASP A 722 5.122 -6.113 -8.485 1.00 0.00 C ATOM 1201 C ASP A 722 5.231 -5.744 -7.008 1.00 0.00 C ATOM 1202 O ASP A 722 5.117 -4.575 -6.640 1.00 0.00 O ATOM 1203 CB ASP A 722 5.842 -5.068 -9.339 1.00 0.00 C ATOM 1204 CG ASP A 722 6.416 -5.657 -10.613 1.00 0.00 C ATOM 1205 OD1 ASP A 722 7.434 -6.375 -10.528 1.00 0.00 O ATOM 1206 OD2 ASP A 722 5.846 -5.400 -11.693 1.00 0.00 O ATOM 0 H ASP A 722 3.242 -5.331 -8.985 1.00 0.00 H new ATOM 0 HA ASP A 722 5.597 -7.083 -8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.146 -4.269 -9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 722 6.646 -4.618 -8.756 1.00 0.00 H new ATOM 1211 N VAL A 723 5.452 -6.749 -6.167 1.00 0.00 N ATOM 1212 CA VAL A 723 5.576 -6.530 -4.731 1.00 0.00 C ATOM 1213 C VAL A 723 7.037 -6.550 -4.296 1.00 0.00 C ATOM 1214 O VAL A 723 7.792 -7.450 -4.663 1.00 0.00 O ATOM 1215 CB VAL A 723 4.800 -7.595 -3.932 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.634 -7.160 -2.484 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.448 -7.862 -4.576 1.00 0.00 C ATOM 0 H VAL A 723 5.549 -7.723 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 723 5.151 -5.548 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 723 5.372 -8.523 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.084 -7.924 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.616 -7.023 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.083 -6.220 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 723 2.913 -8.616 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 723 2.866 -6.940 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.595 -8.221 -5.595 1.00 0.00 H new ATOM 1227 N ARG A 724 7.428 -5.551 -3.512 1.00 0.00 N ATOM 1228 CA ARG A 724 8.800 -5.452 -3.028 1.00 0.00 C ATOM 1229 C ARG A 724 8.865 -4.631 -1.743 1.00 0.00 C ATOM 1230 O ARG A 724 7.898 -3.965 -1.371 1.00 0.00 O ATOM 1231 CB ARG A 724 9.696 -4.822 -4.095 1.00 0.00 C ATOM 1232 CG ARG A 724 9.977 -5.739 -5.274 1.00 0.00 C ATOM 1233 CD ARG A 724 11.277 -5.368 -5.971 1.00 0.00 C ATOM 1234 NE ARG A 724 12.431 -6.021 -5.360 1.00 0.00 N ATOM 1235 CZ ARG A 724 13.688 -5.767 -5.707 1.00 0.00 C ATOM 1236 NH1 ARG A 724 13.951 -4.879 -6.655 1.00 0.00 N ATOM 1237 NH2 ARG A 724 14.685 -6.402 -5.104 1.00 0.00 N ATOM 0 H ARG A 724 6.815 -4.799 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 724 9.157 -6.459 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 724 9.225 -3.909 -4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.642 -4.532 -3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 724 10.030 -6.772 -4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 724 9.153 -5.682 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 724 11.217 -5.648 -7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 724 11.411 -4.287 -5.936 1.00 0.00 H new ATOM 0 HE ARG A 724 12.263 -6.710 -4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 724 13.187 -4.388 -7.120 1.00 0.00 H new ATOM 0 HH12 ARG A 724 14.917 -4.686 -6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 724 14.487 -7.086 -4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 724 15.650 -6.206 -5.371 1.00 0.00 H new ATOM 1251 N ILE A 725 10.010 -4.683 -1.071 1.00 0.00 N ATOM 1252 CA ILE A 725 10.201 -3.944 0.171 1.00 0.00 C ATOM 1253 C ILE A 725 10.371 -2.453 -0.098 1.00 0.00 C ATOM 1254 O ILE A 725 11.156 -2.052 -0.958 1.00 0.00 O ATOM 1255 CB ILE A 725 11.427 -4.457 0.949 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.191 -5.891 1.427 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.728 -3.542 2.127 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.063 -6.016 2.427 1.00 0.00 C ATOM 0 H ILE A 725 10.820 -5.229 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 725 9.307 -4.103 0.774 1.00 0.00 H new ATOM 0 HB ILE A 725 12.290 -4.454 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 725 10.973 -6.522 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.108 -6.271 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.597 -3.918 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.935 -2.536 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.868 -3.516 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 725 9.952 -7.059 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.288 -5.412 3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.135 -5.667 1.974 1.00 0.00 H new ATOM 1270 N ASP A 726 9.632 -1.635 0.644 1.00 0.00 N ATOM 1271 CA ASP A 726 9.703 -0.187 0.488 1.00 0.00 C ATOM 1272 C ASP A 726 10.945 0.373 1.175 1.00 0.00 C ATOM 1273 O ASP A 726 11.263 0.001 2.304 1.00 0.00 O ATOM 1274 CB ASP A 726 8.447 0.471 1.062 1.00 0.00 C ATOM 1275 CG ASP A 726 8.252 1.886 0.555 1.00 0.00 C ATOM 1276 OD1 ASP A 726 9.070 2.337 -0.274 1.00 0.00 O ATOM 1277 OD2 ASP A 726 7.282 2.544 0.987 1.00 0.00 O ATOM 0 H ASP A 726 8.977 -1.950 1.359 1.00 0.00 H new ATOM 0 HA ASP A 726 9.767 0.037 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.575 -0.129 0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.512 0.484 2.150 1.00 0.00 H new