USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=13 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 157:sc= -2.13! (180deg=-2.28!) USER MOD Set 1.2: A 714 MET CE :methyl 133:sc= -1.01 (180deg=-2.11!) USER MOD Set 2.1: A 675 CYS SG : rot 150:sc= -0.62 USER MOD Set 2.2: A 710 MET CE :methyl -147:sc= -1.89! (180deg=-3.52!) USER MOD Set 3.1: A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 673 ASN : amide:sc= -4.3 K(o=-4.3,f=-1.4) USER MOD Set 4.1: A 664 THR OG1 : rot 180:sc= -0.459 USER MOD Set 4.2: A 667 MET CE :methyl 180:sc= -1.05 (180deg=-1.05) USER MOD Single : A 652 CYS SG : rot 180:sc= -0.473 USER MOD Single : A 653 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 658 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.74) USER MOD Single : A 666 LYS NZ :NH3+ 128:sc= -0.192 (180deg=-0.974) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 HIS : no HE2:sc= -2.05! K(o=-2!,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= -1.24 USER MOD Single : A 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 SER OG : rot 180:sc= -0.987 USER MOD Single : A 708 CYS SG : rot 180:sc= -0.97 USER MOD Single : A 712 ASN : amide:sc= -2.38! C(o=-2.4!,f=-7!) 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 9.131 -3.314 7.381 1.00 0.00 N ATOM 77 CA CYS A 652 7.762 -3.584 7.806 1.00 0.00 C ATOM 78 C CYS A 652 6.763 -3.116 6.752 1.00 0.00 C ATOM 79 O CYS A 652 5.653 -3.639 6.660 1.00 0.00 O ATOM 80 CB CYS A 652 7.474 -2.896 9.140 1.00 0.00 C ATOM 81 SG CYS A 652 7.691 -1.101 9.107 1.00 0.00 S ATOM 0 HA CYS A 652 7.653 -4.661 7.931 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.451 -3.122 9.440 1.00 0.00 H new ATOM 0 HB3 CYS A 652 8.130 -3.317 9.902 1.00 0.00 H new ATOM 0 HG CYS A 652 7.422 -0.610 10.280 1.00 0.00 H new ATOM 87 N GLN A 653 7.166 -2.127 5.961 1.00 0.00 N ATOM 88 CA GLN A 653 6.305 -1.586 4.916 1.00 0.00 C ATOM 89 C GLN A 653 6.743 -2.079 3.541 1.00 0.00 C ATOM 90 O GLN A 653 7.931 -2.284 3.294 1.00 0.00 O ATOM 91 CB GLN A 653 6.322 -0.057 4.952 1.00 0.00 C ATOM 92 CG GLN A 653 5.533 0.587 3.824 1.00 0.00 C ATOM 93 CD GLN A 653 5.356 2.081 4.013 1.00 0.00 C ATOM 94 OE1 GLN A 653 5.763 2.641 5.031 1.00 0.00 O ATOM 95 NE2 GLN A 653 4.748 2.735 3.030 1.00 0.00 N ATOM 0 H GLN A 653 8.083 -1.684 6.024 1.00 0.00 H new ATOM 0 HA GLN A 653 5.289 -1.935 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.917 0.280 5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.355 0.288 4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 653 6.042 0.402 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.553 0.115 3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 653 4.427 2.230 2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.602 3.742 3.101 1.00 0.00 H new ATOM 104 N ILE A 654 5.775 -2.269 2.651 1.00 0.00 N ATOM 105 CA ILE A 654 6.061 -2.738 1.300 1.00 0.00 C ATOM 106 C ILE A 654 5.281 -1.938 0.264 1.00 0.00 C ATOM 107 O ILE A 654 4.426 -1.121 0.608 1.00 0.00 O ATOM 108 CB ILE A 654 5.723 -4.232 1.140 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.240 -4.476 1.427 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.592 -5.074 2.063 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.730 -5.795 0.891 1.00 0.00 C ATOM 0 H ILE A 654 4.786 -2.106 2.841 1.00 0.00 H new ATOM 0 HA ILE A 654 7.129 -2.596 1.136 1.00 0.00 H new ATOM 0 HB ILE A 654 5.928 -4.527 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 654 4.077 -4.443 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.656 -3.666 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.341 -6.127 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.642 -4.919 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.416 -4.779 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.672 -5.901 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.861 -5.823 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.289 -6.613 1.346 1.00 0.00 H new ATOM 123 N PHE A 655 5.579 -2.179 -1.009 1.00 0.00 N ATOM 124 CA PHE A 655 4.904 -1.481 -2.097 1.00 0.00 C ATOM 125 C PHE A 655 4.355 -2.471 -3.120 1.00 0.00 C ATOM 126 O PHE A 655 4.914 -3.550 -3.319 1.00 0.00 O ATOM 127 CB PHE A 655 5.866 -0.506 -2.780 1.00 0.00 C ATOM 128 CG PHE A 655 5.176 0.649 -3.447 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.921 1.818 -2.747 1.00 0.00 C ATOM 130 CD2 PHE A 655 4.782 0.567 -4.772 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.286 2.883 -3.358 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.148 1.629 -5.388 1.00 0.00 C ATOM 133 CZ PHE A 655 3.898 2.788 -4.680 1.00 0.00 C ATOM 0 H PHE A 655 6.283 -2.852 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 655 4.070 -0.922 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.567 -0.121 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.452 -1.047 -3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.222 1.898 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 655 4.972 -0.338 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 655 4.093 3.789 -2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 655 3.848 1.553 -6.423 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.400 3.618 -5.159 1.00 0.00 H new ATOM 143 N VAL A 656 3.255 -2.096 -3.766 1.00 0.00 N ATOM 144 CA VAL A 656 2.629 -2.950 -4.769 1.00 0.00 C ATOM 145 C VAL A 656 2.310 -2.165 -6.036 1.00 0.00 C ATOM 146 O VAL A 656 2.099 -0.953 -5.992 1.00 0.00 O ATOM 147 CB VAL A 656 1.333 -3.587 -4.233 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.906 -4.751 -5.114 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.519 -4.039 -2.792 1.00 0.00 C ATOM 0 H VAL A 656 2.779 -1.207 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 656 3.343 -3.739 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 656 0.543 -2.836 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.011 -5.188 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.731 -4.394 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.692 -5.506 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.594 -4.487 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.322 -4.774 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.774 -3.180 -2.171 1.00 0.00 H new ATOM 159 N ARG A 657 2.275 -2.865 -7.166 1.00 0.00 N ATOM 160 CA ARG A 657 1.983 -2.234 -8.447 1.00 0.00 C ATOM 161 C ARG A 657 1.223 -3.189 -9.363 1.00 0.00 C ATOM 162 O ARG A 657 1.245 -4.403 -9.165 1.00 0.00 O ATOM 163 CB ARG A 657 3.277 -1.782 -9.125 1.00 0.00 C ATOM 164 CG ARG A 657 3.978 -0.643 -8.402 1.00 0.00 C ATOM 165 CD ARG A 657 4.982 0.056 -9.305 1.00 0.00 C ATOM 166 NE ARG A 657 5.381 1.357 -8.775 1.00 0.00 N ATOM 167 CZ ARG A 657 6.403 2.062 -9.249 1.00 0.00 C ATOM 168 NH1 ARG A 657 7.125 1.592 -10.257 1.00 0.00 N ATOM 169 NH2 ARG A 657 6.704 3.238 -8.715 1.00 0.00 N ATOM 0 H ARG A 657 2.445 -3.869 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 657 1.356 -1.362 -8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.957 -2.631 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 657 3.053 -1.470 -10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.238 0.077 -8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 657 4.488 -1.030 -7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.864 -0.574 -9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 657 4.549 0.186 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 657 4.846 1.746 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 657 6.896 0.688 -10.670 1.00 0.00 H new ATOM 0 HH12 ARG A 657 7.909 2.135 -10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 657 6.151 3.603 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 657 7.489 3.778 -9.080 1.00 0.00 H new ATOM 183 N ASN A 658 0.551 -2.631 -10.365 1.00 0.00 N ATOM 184 CA ASN A 658 -0.216 -3.433 -11.310 1.00 0.00 C ATOM 185 C ASN A 658 -1.410 -4.091 -10.623 1.00 0.00 C ATOM 186 O ASN A 658 -1.642 -5.291 -10.773 1.00 0.00 O ATOM 187 CB ASN A 658 0.675 -4.504 -11.944 1.00 0.00 C ATOM 188 CG ASN A 658 0.241 -4.856 -13.354 1.00 0.00 C ATOM 189 OD1 ASN A 658 0.830 -4.391 -14.330 1.00 0.00 O ATOM 190 ND2 ASN A 658 -0.793 -5.681 -13.466 1.00 0.00 N ATOM 0 H ASN A 658 0.522 -1.627 -10.543 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.588 -2.770 -12.091 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.706 -4.151 -11.961 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.656 -5.402 -11.326 1.00 0.00 H new ATOM 0 HD21 ASN A 658 -1.130 -5.954 -14.389 1.00 0.00 H new ATOM 0 HD22 ASN A 658 -1.251 -6.042 -12.629 1.00 0.00 H new ATOM 197 N LEU A 659 -2.163 -3.297 -9.870 1.00 0.00 N ATOM 198 CA LEU A 659 -3.333 -3.801 -9.160 1.00 0.00 C ATOM 199 C LEU A 659 -4.612 -3.496 -9.933 1.00 0.00 C ATOM 200 O LEU A 659 -4.739 -2.462 -10.589 1.00 0.00 O ATOM 201 CB LEU A 659 -3.410 -3.185 -7.762 1.00 0.00 C ATOM 202 CG LEU A 659 -2.402 -3.713 -6.740 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.273 -2.749 -5.571 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.813 -5.094 -6.251 1.00 0.00 C ATOM 0 H LEU A 659 -1.984 -2.302 -9.735 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.234 -4.883 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.274 -2.107 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.414 -3.347 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.430 -3.795 -7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.552 -3.141 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -1.933 -1.779 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.242 -2.635 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -2.085 -5.454 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.795 -5.037 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.854 -5.782 -7.096 1.00 0.00 H new ATOM 216 N PRO A 660 -5.585 -4.416 -9.854 1.00 0.00 N ATOM 217 CA PRO A 660 -6.873 -4.267 -10.538 1.00 0.00 C ATOM 218 C PRO A 660 -7.492 -2.891 -10.315 1.00 0.00 C ATOM 219 O PRO A 660 -7.662 -2.453 -9.177 1.00 0.00 O ATOM 220 CB PRO A 660 -7.741 -5.354 -9.900 1.00 0.00 C ATOM 221 CG PRO A 660 -6.774 -6.386 -9.434 1.00 0.00 C ATOM 222 CD PRO A 660 -5.503 -5.673 -9.091 1.00 0.00 C ATOM 0 HA PRO A 660 -6.774 -4.362 -11.619 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.326 -4.957 -9.071 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.447 -5.769 -10.619 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.165 -6.916 -8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.601 -7.131 -10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.426 -5.486 -8.020 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.628 -6.257 -9.376 1.00 0.00 H new ATOM 230 N PHE A 661 -7.828 -2.214 -11.408 1.00 0.00 N ATOM 231 CA PHE A 661 -8.428 -0.887 -11.331 1.00 0.00 C ATOM 232 C PHE A 661 -9.596 -0.875 -10.349 1.00 0.00 C ATOM 233 O PHE A 661 -9.931 0.164 -9.780 1.00 0.00 O ATOM 234 CB PHE A 661 -8.904 -0.439 -12.714 1.00 0.00 C ATOM 235 CG PHE A 661 -7.806 -0.383 -13.737 1.00 0.00 C ATOM 236 CD1 PHE A 661 -6.802 0.567 -13.645 1.00 0.00 C ATOM 237 CD2 PHE A 661 -7.777 -1.282 -14.791 1.00 0.00 C ATOM 238 CE1 PHE A 661 -5.791 0.621 -14.586 1.00 0.00 C ATOM 239 CE2 PHE A 661 -6.769 -1.234 -15.735 1.00 0.00 C ATOM 240 CZ PHE A 661 -5.774 -0.282 -15.631 1.00 0.00 C ATOM 0 H PHE A 661 -7.695 -2.562 -12.357 1.00 0.00 H new ATOM 0 HA PHE A 661 -7.669 -0.192 -10.973 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -9.679 -1.122 -13.062 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -9.362 0.547 -12.630 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -6.809 1.274 -12.828 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -8.552 -2.030 -14.876 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -5.015 1.368 -14.504 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -6.759 -1.940 -16.553 1.00 0.00 H new ATOM 0 HZ PHE A 661 -4.984 -0.244 -16.366 1.00 0.00 H new ATOM 250 N ASP A 662 -10.212 -2.036 -10.157 1.00 0.00 N ATOM 251 CA ASP A 662 -11.342 -2.160 -9.245 1.00 0.00 C ATOM 252 C ASP A 662 -10.866 -2.456 -7.826 1.00 0.00 C ATOM 253 O ASP A 662 -11.558 -2.159 -6.852 1.00 0.00 O ATOM 254 CB ASP A 662 -12.289 -3.264 -9.719 1.00 0.00 C ATOM 255 CG ASP A 662 -12.595 -3.167 -11.201 1.00 0.00 C ATOM 256 OD1 ASP A 662 -13.239 -2.179 -11.610 1.00 0.00 O ATOM 257 OD2 ASP A 662 -12.191 -4.080 -11.951 1.00 0.00 O ATOM 0 H ASP A 662 -9.947 -2.905 -10.621 1.00 0.00 H new ATOM 0 HA ASP A 662 -11.877 -1.211 -9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -11.845 -4.236 -9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -13.220 -3.208 -9.154 1.00 0.00 H new ATOM 262 N PHE A 663 -9.679 -3.045 -7.717 1.00 0.00 N ATOM 263 CA PHE A 663 -9.111 -3.384 -6.417 1.00 0.00 C ATOM 264 C PHE A 663 -9.355 -2.265 -5.409 1.00 0.00 C ATOM 265 O PHE A 663 -9.394 -1.088 -5.767 1.00 0.00 O ATOM 266 CB PHE A 663 -7.610 -3.651 -6.548 1.00 0.00 C ATOM 267 CG PHE A 663 -7.092 -4.658 -5.562 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.654 -5.922 -5.483 1.00 0.00 C ATOM 269 CD2 PHE A 663 -6.043 -4.342 -4.713 1.00 0.00 C ATOM 270 CE1 PHE A 663 -7.180 -6.851 -4.576 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.565 -5.267 -3.804 1.00 0.00 C ATOM 272 CZ PHE A 663 -6.133 -6.524 -3.737 1.00 0.00 C ATOM 0 H PHE A 663 -9.092 -3.297 -8.513 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.603 -4.287 -6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.398 -4.001 -7.558 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -7.069 -2.714 -6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.472 -6.184 -6.138 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.594 -3.361 -4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.628 -7.832 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.748 -5.007 -3.147 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.759 -7.250 -3.030 1.00 0.00 H new ATOM 282 N THR A 664 -9.518 -2.642 -4.144 1.00 0.00 N ATOM 283 CA THR A 664 -9.760 -1.672 -3.083 1.00 0.00 C ATOM 284 C THR A 664 -8.785 -1.867 -1.928 1.00 0.00 C ATOM 285 O THR A 664 -8.063 -2.863 -1.874 1.00 0.00 O ATOM 286 CB THR A 664 -11.200 -1.774 -2.547 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.492 -3.127 -2.180 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.201 -1.298 -3.589 1.00 0.00 C ATOM 0 H THR A 664 -9.487 -3.612 -3.830 1.00 0.00 H new ATOM 0 HA THR A 664 -9.611 -0.684 -3.518 1.00 0.00 H new ATOM 0 HB THR A 664 -11.283 -1.134 -1.668 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.409 -3.183 -1.839 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.211 -1.380 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A 664 -11.995 -0.258 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.116 -1.915 -4.484 1.00 0.00 H new ATOM 296 N TRP A 665 -8.769 -0.912 -1.006 1.00 0.00 N ATOM 297 CA TRP A 665 -7.882 -0.979 0.150 1.00 0.00 C ATOM 298 C TRP A 665 -8.231 -2.171 1.035 1.00 0.00 C ATOM 299 O TRP A 665 -7.370 -2.988 1.362 1.00 0.00 O ATOM 300 CB TRP A 665 -7.966 0.315 0.960 1.00 0.00 C ATOM 301 CG TRP A 665 -9.081 0.318 1.961 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.278 0.967 1.853 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.102 -0.358 3.223 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.041 0.735 2.971 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.343 -0.075 3.827 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.194 -1.176 3.901 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -10.695 -0.581 5.075 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.545 -1.677 5.140 1.00 0.00 C ATOM 309 CH2 TRP A 665 -9.787 -1.380 5.716 1.00 0.00 C ATOM 0 H TRP A 665 -9.360 -0.081 -1.036 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.862 -1.106 -0.213 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.021 0.472 1.479 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.098 1.155 0.277 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.580 1.573 1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -11.977 1.106 3.137 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.235 -1.412 3.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -11.651 -0.351 5.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -7.850 -2.308 5.674 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.033 -1.789 6.685 1.00 0.00 H new ATOM 320 N LYS A 666 -9.499 -2.264 1.421 1.00 0.00 N ATOM 321 CA LYS A 666 -9.963 -3.357 2.267 1.00 0.00 C ATOM 322 C LYS A 666 -9.466 -4.700 1.743 1.00 0.00 C ATOM 323 O LYS A 666 -8.947 -5.519 2.501 1.00 0.00 O ATOM 324 CB LYS A 666 -11.492 -3.360 2.340 1.00 0.00 C ATOM 325 CG LYS A 666 -12.061 -4.517 3.142 1.00 0.00 C ATOM 326 CD LYS A 666 -12.083 -4.207 4.629 1.00 0.00 C ATOM 327 CE LYS A 666 -13.390 -3.548 5.042 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.565 -4.416 4.751 1.00 0.00 N ATOM 0 H LYS A 666 -10.224 -1.595 1.161 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.558 -3.205 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.828 -2.422 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.895 -3.397 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.073 -4.735 2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.465 -5.412 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -11.944 -5.128 5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -11.249 -3.551 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -13.361 -3.321 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.500 -2.599 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -15.145 -4.513 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -15.135 -3.987 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -14.236 -5.355 4.447 1.00 0.00 H new ATOM 342 N MET A 667 -9.627 -4.919 0.442 1.00 0.00 N ATOM 343 CA MET A 667 -9.192 -6.162 -0.183 1.00 0.00 C ATOM 344 C MET A 667 -7.679 -6.325 -0.074 1.00 0.00 C ATOM 345 O MET A 667 -7.187 -7.369 0.358 1.00 0.00 O ATOM 346 CB MET A 667 -9.615 -6.194 -1.653 1.00 0.00 C ATOM 347 CG MET A 667 -11.109 -6.392 -1.851 1.00 0.00 C ATOM 348 SD MET A 667 -11.507 -7.116 -3.454 1.00 0.00 S ATOM 349 CE MET A 667 -11.352 -5.684 -4.519 1.00 0.00 C ATOM 0 H MET A 667 -10.055 -4.252 -0.200 1.00 0.00 H new ATOM 0 HA MET A 667 -9.668 -6.990 0.343 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.314 -5.261 -2.130 1.00 0.00 H new ATOM 0 HB3 MET A 667 -9.080 -6.998 -2.159 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.494 -7.036 -1.060 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.615 -5.431 -1.755 1.00 0.00 H new ATOM 0 HE1 MET A 667 -11.568 -5.971 -5.548 1.00 0.00 H new ATOM 0 HE2 MET A 667 -12.057 -4.916 -4.201 1.00 0.00 H new ATOM 0 HE3 MET A 667 -10.336 -5.293 -4.457 1.00 0.00 H new ATOM 359 N LEU A 668 -6.947 -5.289 -0.467 1.00 0.00 N ATOM 360 CA LEU A 668 -5.489 -5.318 -0.413 1.00 0.00 C ATOM 361 C LEU A 668 -5.004 -5.852 0.931 1.00 0.00 C ATOM 362 O LEU A 668 -4.109 -6.694 0.990 1.00 0.00 O ATOM 363 CB LEU A 668 -4.923 -3.917 -0.652 1.00 0.00 C ATOM 364 CG LEU A 668 -3.440 -3.729 -0.331 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.583 -4.601 -1.236 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.046 -2.265 -0.469 1.00 0.00 C ATOM 0 H LEU A 668 -7.338 -4.418 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.134 -5.986 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.084 -3.655 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.496 -3.208 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.270 -4.035 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.531 -4.454 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.847 -5.648 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.757 -4.327 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -1.987 -2.150 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.232 -1.933 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.637 -1.663 0.221 1.00 0.00 H new ATOM 378 N LYS A 669 -5.604 -5.358 2.009 1.00 0.00 N ATOM 379 CA LYS A 669 -5.237 -5.787 3.353 1.00 0.00 C ATOM 380 C LYS A 669 -5.471 -7.284 3.530 1.00 0.00 C ATOM 381 O LYS A 669 -4.524 -8.068 3.588 1.00 0.00 O ATOM 382 CB LYS A 669 -6.040 -5.008 4.397 1.00 0.00 C ATOM 383 CG LYS A 669 -5.984 -5.617 5.787 1.00 0.00 C ATOM 384 CD LYS A 669 -6.752 -4.779 6.795 1.00 0.00 C ATOM 385 CE LYS A 669 -6.222 -4.980 8.207 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.771 -6.214 8.834 1.00 0.00 N ATOM 0 H LYS A 669 -6.347 -4.660 1.978 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.175 -5.584 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.665 -3.985 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.080 -4.952 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.398 -6.625 5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -4.945 -5.707 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -6.679 -3.726 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.809 -5.045 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -5.134 -5.039 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -6.481 -4.116 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.386 -6.316 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.808 -6.148 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -6.503 -7.042 8.264 1.00 0.00 H new ATOM 400 N ASP A 670 -6.739 -7.674 3.613 1.00 0.00 N ATOM 401 CA ASP A 670 -7.098 -9.077 3.779 1.00 0.00 C ATOM 402 C ASP A 670 -6.324 -9.956 2.802 1.00 0.00 C ATOM 403 O ASP A 670 -6.115 -11.144 3.049 1.00 0.00 O ATOM 404 CB ASP A 670 -8.601 -9.269 3.576 1.00 0.00 C ATOM 405 CG ASP A 670 -8.994 -10.731 3.500 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.885 -11.318 2.403 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.410 -11.289 4.537 1.00 0.00 O ATOM 0 H ASP A 670 -7.535 -7.038 3.568 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.836 -9.375 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.139 -8.794 4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.908 -8.765 2.659 1.00 0.00 H new ATOM 412 N LYS A 671 -5.901 -9.365 1.689 1.00 0.00 N ATOM 413 CA LYS A 671 -5.150 -10.092 0.673 1.00 0.00 C ATOM 414 C LYS A 671 -3.763 -10.465 1.185 1.00 0.00 C ATOM 415 O LYS A 671 -3.298 -11.588 0.985 1.00 0.00 O ATOM 416 CB LYS A 671 -5.027 -9.251 -0.599 1.00 0.00 C ATOM 417 CG LYS A 671 -4.605 -10.051 -1.819 1.00 0.00 C ATOM 418 CD LYS A 671 -5.767 -10.841 -2.397 1.00 0.00 C ATOM 419 CE LYS A 671 -5.286 -11.917 -3.358 1.00 0.00 C ATOM 420 NZ LYS A 671 -6.202 -13.091 -3.380 1.00 0.00 N ATOM 0 H LYS A 671 -6.066 -8.383 1.468 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.692 -11.009 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -5.985 -8.773 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.303 -8.454 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -4.209 -9.377 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.800 -10.733 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -6.334 -11.301 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -6.446 -10.165 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -5.207 -11.499 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -4.286 -12.242 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -5.839 -13.802 -4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -6.257 -13.506 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -7.150 -12.786 -3.681 1.00 0.00 H new ATOM 434 N PHE A 672 -3.107 -9.519 1.848 1.00 0.00 N ATOM 435 CA PHE A 672 -1.773 -9.749 2.389 1.00 0.00 C ATOM 436 C PHE A 672 -1.850 -10.353 3.788 1.00 0.00 C ATOM 437 O PHE A 672 -0.856 -10.847 4.318 1.00 0.00 O ATOM 438 CB PHE A 672 -0.983 -8.439 2.430 1.00 0.00 C ATOM 439 CG PHE A 672 -0.350 -8.078 1.117 1.00 0.00 C ATOM 440 CD1 PHE A 672 -1.126 -7.634 0.058 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.020 -8.182 0.941 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.547 -7.303 -1.152 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.605 -7.852 -0.267 1.00 0.00 C ATOM 444 CZ PHE A 672 0.821 -7.410 -1.315 1.00 0.00 C ATOM 0 H PHE A 672 -3.478 -8.585 2.024 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.260 -10.454 1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.649 -7.632 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.205 -8.517 3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.195 -7.546 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.638 -8.525 1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -1.163 -6.961 -1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.674 -7.940 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.276 -7.149 -2.259 1.00 0.00 H new ATOM 454 N ASN A 673 -3.039 -10.310 4.380 1.00 0.00 N ATOM 455 CA ASN A 673 -3.247 -10.852 5.718 1.00 0.00 C ATOM 456 C ASN A 673 -2.708 -12.276 5.817 1.00 0.00 C ATOM 457 O ASN A 673 -2.165 -12.673 6.848 1.00 0.00 O ATOM 458 CB ASN A 673 -4.735 -10.833 6.073 1.00 0.00 C ATOM 459 CG ASN A 673 -5.152 -9.541 6.749 1.00 0.00 C ATOM 460 OD1 ASN A 673 -5.866 -9.554 7.751 1.00 0.00 O ATOM 461 ND2 ASN A 673 -4.706 -8.416 6.201 1.00 0.00 N ATOM 0 H ASN A 673 -3.873 -9.906 3.954 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.703 -10.226 6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.324 -10.972 5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -4.960 -11.673 6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -4.954 -7.516 6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -4.116 -8.453 5.370 1.00 0.00 H new ATOM 468 N GLU A 674 -2.860 -13.038 4.739 1.00 0.00 N ATOM 469 CA GLU A 674 -2.389 -14.417 4.706 1.00 0.00 C ATOM 470 C GLU A 674 -0.931 -14.504 5.149 1.00 0.00 C ATOM 471 O GLU A 674 -0.543 -15.429 5.864 1.00 0.00 O ATOM 472 CB GLU A 674 -2.541 -14.998 3.299 1.00 0.00 C ATOM 473 CG GLU A 674 -3.961 -14.930 2.762 1.00 0.00 C ATOM 474 CD GLU A 674 -4.783 -16.150 3.132 1.00 0.00 C ATOM 475 OE1 GLU A 674 -4.625 -17.195 2.466 1.00 0.00 O ATOM 476 OE2 GLU A 674 -5.583 -16.059 4.086 1.00 0.00 O ATOM 0 H GLU A 674 -3.306 -12.724 3.877 1.00 0.00 H new ATOM 0 HA GLU A 674 -2.997 -14.998 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -1.879 -14.461 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -2.214 -16.038 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.450 -14.036 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -3.931 -14.832 1.677 1.00 0.00 H new ATOM 483 N CYS A 675 -0.129 -13.536 4.720 1.00 0.00 N ATOM 484 CA CYS A 675 1.286 -13.503 5.071 1.00 0.00 C ATOM 485 C CYS A 675 1.474 -13.131 6.538 1.00 0.00 C ATOM 486 O CYS A 675 2.300 -13.716 7.237 1.00 0.00 O ATOM 487 CB CYS A 675 2.031 -12.508 4.179 1.00 0.00 C ATOM 488 SG CYS A 675 1.756 -12.753 2.409 1.00 0.00 S ATOM 0 H CYS A 675 -0.435 -12.763 4.128 1.00 0.00 H new ATOM 0 HA CYS A 675 1.698 -14.500 4.913 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.725 -11.497 4.447 1.00 0.00 H new ATOM 0 HB3 CYS A 675 3.099 -12.582 4.383 1.00 0.00 H new ATOM 0 HG CYS A 675 1.846 -11.611 1.794 1.00 0.00 H new ATOM 494 N GLY A 676 0.702 -12.150 6.997 1.00 0.00 N ATOM 495 CA GLY A 676 0.800 -11.715 8.378 1.00 0.00 C ATOM 496 C GLY A 676 -0.209 -10.637 8.719 1.00 0.00 C ATOM 497 O GLY A 676 -0.872 -10.095 7.835 1.00 0.00 O ATOM 0 H GLY A 676 0.011 -11.650 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.650 -12.570 9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.806 -11.340 8.567 1.00 0.00 H new ATOM 501 N HIS A 677 -0.328 -10.325 10.006 1.00 0.00 N ATOM 502 CA HIS A 677 -1.265 -9.305 10.462 1.00 0.00 C ATOM 503 C HIS A 677 -0.953 -7.955 9.823 1.00 0.00 C ATOM 504 O HIS A 677 0.102 -7.370 10.067 1.00 0.00 O ATOM 505 CB HIS A 677 -1.218 -9.184 11.986 1.00 0.00 C ATOM 506 CG HIS A 677 -2.157 -8.153 12.534 1.00 0.00 C ATOM 507 ND1 HIS A 677 -3.030 -8.405 13.570 1.00 0.00 N ATOM 508 CD2 HIS A 677 -2.353 -6.860 12.184 1.00 0.00 C ATOM 509 CE1 HIS A 677 -3.725 -7.313 13.833 1.00 0.00 C ATOM 510 NE2 HIS A 677 -3.333 -6.360 13.007 1.00 0.00 N ATOM 0 H HIS A 677 0.213 -10.764 10.751 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.268 -9.607 10.159 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.457 -10.152 12.427 1.00 0.00 H new ATOM 0 HB3 HIS A 677 -0.201 -8.937 12.292 1.00 0.00 H new ATOM 0 HD1 HIS A 677 -3.125 -9.296 14.058 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -1.836 -6.322 11.404 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.485 -7.216 14.594 1.00 0.00 H new ATOM 519 N VAL A 678 -1.877 -7.467 9.002 1.00 0.00 N ATOM 520 CA VAL A 678 -1.701 -6.186 8.327 1.00 0.00 C ATOM 521 C VAL A 678 -2.271 -5.044 9.160 1.00 0.00 C ATOM 522 O VAL A 678 -3.335 -5.174 9.767 1.00 0.00 O ATOM 523 CB VAL A 678 -2.375 -6.184 6.942 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.465 -4.768 6.395 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.619 -7.089 5.981 1.00 0.00 C ATOM 0 H VAL A 678 -2.755 -7.939 8.788 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.628 -6.039 8.200 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.388 -6.572 7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.944 -4.786 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -3.053 -4.152 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.463 -4.350 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.109 -7.076 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.594 -6.733 5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.612 -8.107 6.370 1.00 0.00 H new ATOM 535 N LEU A 679 -1.558 -3.923 9.184 1.00 0.00 N ATOM 536 CA LEU A 679 -1.993 -2.755 9.942 1.00 0.00 C ATOM 537 C LEU A 679 -2.411 -1.624 9.008 1.00 0.00 C ATOM 538 O LEU A 679 -3.574 -1.221 8.987 1.00 0.00 O ATOM 539 CB LEU A 679 -0.873 -2.279 10.869 1.00 0.00 C ATOM 540 CG LEU A 679 -0.229 -3.350 11.750 1.00 0.00 C ATOM 541 CD1 LEU A 679 1.121 -2.876 12.266 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.147 -3.712 12.908 1.00 0.00 C ATOM 0 H LEU A 679 -0.676 -3.798 8.687 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.856 -3.043 10.542 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.094 -1.822 10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.272 -1.497 11.515 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.071 -4.243 11.145 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.564 -3.651 12.891 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.780 -2.668 11.423 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.987 -1.968 12.854 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.672 -4.476 13.524 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.338 -2.825 13.512 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.090 -4.095 12.519 1.00 0.00 H new ATOM 554 N TYR A 680 -1.456 -1.119 8.235 1.00 0.00 N ATOM 555 CA TYR A 680 -1.725 -0.035 7.298 1.00 0.00 C ATOM 556 C TYR A 680 -1.922 -0.572 5.884 1.00 0.00 C ATOM 557 O TYR A 680 -1.122 -1.369 5.394 1.00 0.00 O ATOM 558 CB TYR A 680 -0.579 0.978 7.316 1.00 0.00 C ATOM 559 CG TYR A 680 -0.659 2.003 6.206 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.857 2.642 5.910 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.463 2.332 5.455 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.935 3.578 4.897 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.394 3.267 4.441 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.807 3.887 4.165 1.00 0.00 C ATOM 565 OH TYR A 680 -0.880 4.820 3.156 1.00 0.00 O ATOM 0 H TYR A 680 -0.489 -1.443 8.239 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.645 0.460 7.610 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.576 1.494 8.276 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.368 0.444 7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.742 2.403 6.481 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.405 1.848 5.668 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.874 4.065 4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.276 3.512 3.867 1.00 0.00 H new ATOM 0 HH TYR A 680 0.002 4.922 2.740 1.00 0.00 H new ATOM 575 N ALA A 681 -2.993 -0.130 5.234 1.00 0.00 N ATOM 576 CA ALA A 681 -3.295 -0.563 3.875 1.00 0.00 C ATOM 577 C ALA A 681 -4.188 0.446 3.163 1.00 0.00 C ATOM 578 O ALA A 681 -5.296 0.738 3.615 1.00 0.00 O ATOM 579 CB ALA A 681 -3.954 -1.934 3.893 1.00 0.00 C ATOM 0 H ALA A 681 -3.666 0.528 5.626 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.357 -0.630 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.174 -2.245 2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.280 -2.656 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.881 -1.885 4.465 1.00 0.00 H new ATOM 585 N ASP A 682 -3.701 0.977 2.047 1.00 0.00 N ATOM 586 CA ASP A 682 -4.456 1.954 1.271 1.00 0.00 C ATOM 587 C ASP A 682 -4.137 1.832 -0.216 1.00 0.00 C ATOM 588 O ASP A 682 -3.144 1.211 -0.598 1.00 0.00 O ATOM 589 CB ASP A 682 -4.147 3.371 1.757 1.00 0.00 C ATOM 590 CG ASP A 682 -5.313 4.319 1.555 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.406 4.036 2.088 1.00 0.00 O ATOM 592 OD2 ASP A 682 -5.133 5.344 0.864 1.00 0.00 O ATOM 0 H ASP A 682 -2.786 0.747 1.659 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.518 1.752 1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -3.886 3.340 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.276 3.753 1.225 1.00 0.00 H new ATOM 597 N ILE A 683 -4.984 2.427 -1.048 1.00 0.00 N ATOM 598 CA ILE A 683 -4.792 2.384 -2.493 1.00 0.00 C ATOM 599 C ILE A 683 -4.378 3.749 -3.033 1.00 0.00 C ATOM 600 O ILE A 683 -5.191 4.669 -3.115 1.00 0.00 O ATOM 601 CB ILE A 683 -6.070 1.924 -3.218 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.478 0.528 -2.742 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.858 1.935 -4.724 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.487 -0.552 -3.117 1.00 0.00 C ATOM 0 H ILE A 683 -5.810 2.945 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.997 1.663 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.875 2.619 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.595 0.542 -1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.452 0.279 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.770 1.607 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.610 2.945 -5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -5.042 1.260 -4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.841 -1.515 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.388 -0.594 -4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.518 -0.327 -2.672 1.00 0.00 H new ATOM 616 N LYS A 684 -3.107 3.872 -3.401 1.00 0.00 N ATOM 617 CA LYS A 684 -2.584 5.123 -3.937 1.00 0.00 C ATOM 618 C LYS A 684 -3.374 5.562 -5.166 1.00 0.00 C ATOM 619 O LYS A 684 -3.640 4.762 -6.062 1.00 0.00 O ATOM 620 CB LYS A 684 -1.104 4.968 -4.297 1.00 0.00 C ATOM 621 CG LYS A 684 -0.229 4.575 -3.120 1.00 0.00 C ATOM 622 CD LYS A 684 -0.117 5.703 -2.108 1.00 0.00 C ATOM 623 CE LYS A 684 0.781 5.319 -0.942 1.00 0.00 C ATOM 624 NZ LYS A 684 2.221 5.525 -1.259 1.00 0.00 N ATOM 0 H LYS A 684 -2.420 3.120 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.687 5.889 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -1.006 4.215 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.739 5.908 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.644 3.691 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.765 4.306 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 684 0.280 6.593 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.109 5.959 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 684 0.513 5.912 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.612 4.274 -0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 2.800 5.252 -0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 2.483 4.940 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 2.388 6.527 -1.482 1.00 0.00 H new ATOM 724 N LYS A 691 -3.937 3.873 -9.524 1.00 0.00 N ATOM 725 CA LYS A 691 -2.631 3.622 -10.121 1.00 0.00 C ATOM 726 C LYS A 691 -2.229 2.159 -9.956 1.00 0.00 C ATOM 727 O LYS A 691 -1.077 1.793 -10.182 1.00 0.00 O ATOM 728 CB LYS A 691 -1.574 4.527 -9.483 1.00 0.00 C ATOM 729 CG LYS A 691 -1.621 5.961 -9.980 1.00 0.00 C ATOM 730 CD LYS A 691 -1.110 6.074 -11.407 1.00 0.00 C ATOM 731 CE LYS A 691 -1.677 7.301 -12.106 1.00 0.00 C ATOM 732 NZ LYS A 691 -0.892 7.658 -13.320 1.00 0.00 N ATOM 0 HA LYS A 691 -2.697 3.845 -11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.708 4.522 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.585 4.114 -9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -2.645 6.331 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.020 6.593 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -0.021 6.127 -11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -1.383 5.178 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -2.714 7.113 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -1.681 8.144 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 -1.309 8.499 -13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 0.091 7.862 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -0.909 6.863 -13.991 1.00 0.00 H new ATOM 746 N GLY A 692 -3.189 1.328 -9.562 1.00 0.00 N ATOM 747 CA GLY A 692 -2.915 -0.085 -9.375 1.00 0.00 C ATOM 748 C GLY A 692 -1.766 -0.332 -8.418 1.00 0.00 C ATOM 749 O GLY A 692 -1.220 -1.434 -8.364 1.00 0.00 O ATOM 0 H GLY A 692 -4.151 1.608 -9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.811 -0.579 -8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.684 -0.538 -10.339 1.00 0.00 H new ATOM 753 N CYS A 693 -1.398 0.696 -7.662 1.00 0.00 N ATOM 754 CA CYS A 693 -0.304 0.587 -6.703 1.00 0.00 C ATOM 755 C CYS A 693 -0.773 0.953 -5.299 1.00 0.00 C ATOM 756 O CYS A 693 -1.539 1.899 -5.116 1.00 0.00 O ATOM 757 CB CYS A 693 0.858 1.490 -7.118 1.00 0.00 C ATOM 758 SG CYS A 693 0.487 3.258 -7.029 1.00 0.00 S ATOM 0 H CYS A 693 -1.841 1.614 -7.694 1.00 0.00 H new ATOM 0 HA CYS A 693 0.036 -0.448 -6.694 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.716 1.277 -6.480 1.00 0.00 H new ATOM 0 HB3 CYS A 693 1.151 1.242 -8.138 1.00 0.00 H new ATOM 0 HG CYS A 693 1.531 3.940 -7.397 1.00 0.00 H new ATOM 764 N GLY A 694 -0.308 0.197 -4.309 1.00 0.00 N ATOM 765 CA GLY A 694 -0.693 0.457 -2.934 1.00 0.00 C ATOM 766 C GLY A 694 0.442 0.211 -1.959 1.00 0.00 C ATOM 767 O GLY A 694 1.613 0.248 -2.336 1.00 0.00 O ATOM 0 H GLY A 694 0.328 -0.590 -4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -1.029 1.490 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.539 -0.178 -2.670 1.00 0.00 H new ATOM 771 N VAL A 695 0.095 -0.038 -0.700 1.00 0.00 N ATOM 772 CA VAL A 695 1.093 -0.290 0.333 1.00 0.00 C ATOM 773 C VAL A 695 0.526 -1.169 1.442 1.00 0.00 C ATOM 774 O VAL A 695 -0.678 -1.162 1.701 1.00 0.00 O ATOM 775 CB VAL A 695 1.608 1.025 0.948 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.533 1.742 -0.024 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.443 1.918 1.347 1.00 0.00 C ATOM 0 H VAL A 695 -0.870 -0.071 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 695 1.923 -0.807 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 695 2.178 0.788 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 695 2.887 2.669 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.385 1.102 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 695 1.991 1.969 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 695 0.825 2.843 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -0.156 2.150 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -0.176 1.402 2.081 1.00 0.00 H new ATOM 787 N VAL A 696 1.402 -1.927 2.095 1.00 0.00 N ATOM 788 CA VAL A 696 0.989 -2.811 3.178 1.00 0.00 C ATOM 789 C VAL A 696 2.024 -2.829 4.297 1.00 0.00 C ATOM 790 O VAL A 696 3.178 -3.204 4.086 1.00 0.00 O ATOM 791 CB VAL A 696 0.769 -4.250 2.675 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.440 -5.178 3.835 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.331 -4.285 1.625 1.00 0.00 C ATOM 0 H VAL A 696 2.402 -1.946 1.893 1.00 0.00 H new ATOM 0 HA VAL A 696 0.047 -2.421 3.564 1.00 0.00 H new ATOM 0 HB VAL A 696 1.692 -4.599 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.288 -6.190 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.264 -5.176 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.468 -4.834 4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.473 -5.309 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.260 -3.916 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 696 -0.049 -3.655 0.782 1.00 0.00 H new ATOM 803 N LYS A 697 1.605 -2.421 5.490 1.00 0.00 N ATOM 804 CA LYS A 697 2.494 -2.390 6.645 1.00 0.00 C ATOM 805 C LYS A 697 2.165 -3.521 7.615 1.00 0.00 C ATOM 806 O LYS A 697 1.000 -3.759 7.935 1.00 0.00 O ATOM 807 CB LYS A 697 2.386 -1.043 7.362 1.00 0.00 C ATOM 808 CG LYS A 697 3.656 -0.638 8.090 1.00 0.00 C ATOM 809 CD LYS A 697 3.361 0.301 9.248 1.00 0.00 C ATOM 810 CE LYS A 697 4.500 0.319 10.255 1.00 0.00 C ATOM 811 NZ LYS A 697 4.384 1.462 11.203 1.00 0.00 N ATOM 0 H LYS A 697 0.654 -2.107 5.682 1.00 0.00 H new ATOM 0 HA LYS A 697 3.515 -2.525 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.133 -0.272 6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.565 -1.087 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.162 -1.528 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.338 -0.153 7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 697 3.195 1.309 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.441 -0.009 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 697 4.506 -0.617 10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 697 5.451 0.381 9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 5.179 1.439 11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 4.404 2.356 10.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 3.488 1.390 11.726 1.00 0.00 H new ATOM 825 N PHE A 698 3.198 -4.215 8.080 1.00 0.00 N ATOM 826 CA PHE A 698 3.019 -5.321 9.013 1.00 0.00 C ATOM 827 C PHE A 698 3.526 -4.947 10.403 1.00 0.00 C ATOM 828 O PHE A 698 4.184 -3.923 10.580 1.00 0.00 O ATOM 829 CB PHE A 698 3.752 -6.566 8.509 1.00 0.00 C ATOM 830 CG PHE A 698 3.220 -7.087 7.204 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.712 -6.610 6.000 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.227 -8.053 7.182 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.226 -7.087 4.798 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.737 -8.535 5.983 1.00 0.00 C ATOM 835 CZ PHE A 698 2.236 -8.050 4.790 1.00 0.00 C ATOM 0 H PHE A 698 4.169 -4.031 7.826 1.00 0.00 H new ATOM 0 HA PHE A 698 1.953 -5.538 9.080 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.811 -6.333 8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.678 -7.351 9.262 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.485 -5.856 6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 698 1.831 -8.434 8.112 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.619 -6.708 3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 698 0.965 -9.290 5.979 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.853 -8.423 3.852 1.00 0.00 H new ATOM 845 N GLU A 699 3.213 -5.785 11.386 1.00 0.00 N ATOM 846 CA GLU A 699 3.635 -5.542 12.761 1.00 0.00 C ATOM 847 C GLU A 699 5.135 -5.777 12.919 1.00 0.00 C ATOM 848 O GLU A 699 5.813 -5.057 13.651 1.00 0.00 O ATOM 849 CB GLU A 699 2.862 -6.446 13.723 1.00 0.00 C ATOM 850 CG GLU A 699 1.365 -6.476 13.460 1.00 0.00 C ATOM 851 CD GLU A 699 0.598 -7.213 14.540 1.00 0.00 C ATOM 852 OE1 GLU A 699 0.427 -8.444 14.410 1.00 0.00 O ATOM 853 OE2 GLU A 699 0.168 -6.561 15.514 1.00 0.00 O ATOM 0 H GLU A 699 2.669 -6.638 11.256 1.00 0.00 H new ATOM 0 HA GLU A 699 3.420 -4.501 13.001 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.255 -7.460 13.651 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.036 -6.108 14.745 1.00 0.00 H new ATOM 0 HG2 GLU A 699 0.992 -5.454 13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 699 1.178 -6.952 12.498 1.00 0.00 H new ATOM 860 N SER A 700 5.645 -6.791 12.226 1.00 0.00 N ATOM 861 CA SER A 700 7.063 -7.125 12.293 1.00 0.00 C ATOM 862 C SER A 700 7.735 -6.912 10.940 1.00 0.00 C ATOM 863 O SER A 700 7.150 -7.151 9.883 1.00 0.00 O ATOM 864 CB SER A 700 7.246 -8.576 12.743 1.00 0.00 C ATOM 865 OG SER A 700 8.453 -8.736 13.468 1.00 0.00 O ATOM 0 H SER A 700 5.098 -7.395 11.612 1.00 0.00 H new ATOM 0 HA SER A 700 7.533 -6.464 13.021 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.402 -8.877 13.364 1.00 0.00 H new ATOM 0 HB3 SER A 700 7.251 -9.232 11.873 1.00 0.00 H new ATOM 0 HG SER A 700 8.546 -9.671 13.746 1.00 0.00 H new ATOM 871 N PRO A 701 8.994 -6.451 10.972 1.00 0.00 N ATOM 872 CA PRO A 701 9.775 -6.195 9.758 1.00 0.00 C ATOM 873 C PRO A 701 10.160 -7.481 9.035 1.00 0.00 C ATOM 874 O PRO A 701 10.640 -7.447 7.903 1.00 0.00 O ATOM 875 CB PRO A 701 11.023 -5.482 10.282 1.00 0.00 C ATOM 876 CG PRO A 701 11.156 -5.939 11.694 1.00 0.00 C ATOM 877 CD PRO A 701 9.753 -6.145 12.196 1.00 0.00 C ATOM 0 HA PRO A 701 9.212 -5.615 9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 701 11.904 -5.744 9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 701 10.913 -4.399 10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.731 -6.863 11.753 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.681 -5.198 12.296 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.700 -6.961 12.916 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.370 -5.255 12.694 1.00 0.00 H new ATOM 885 N GLU A 702 9.945 -8.614 9.696 1.00 0.00 N ATOM 886 CA GLU A 702 10.270 -9.911 9.115 1.00 0.00 C ATOM 887 C GLU A 702 9.154 -10.389 8.192 1.00 0.00 C ATOM 888 O GLU A 702 9.407 -10.844 7.076 1.00 0.00 O ATOM 889 CB GLU A 702 10.511 -10.944 10.219 1.00 0.00 C ATOM 890 CG GLU A 702 10.117 -12.357 9.826 1.00 0.00 C ATOM 891 CD GLU A 702 10.820 -12.831 8.569 1.00 0.00 C ATOM 892 OE1 GLU A 702 12.011 -12.501 8.394 1.00 0.00 O ATOM 893 OE2 GLU A 702 10.178 -13.533 7.760 1.00 0.00 O ATOM 0 H GLU A 702 9.547 -8.660 10.634 1.00 0.00 H new ATOM 0 HA GLU A 702 11.181 -9.798 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 702 11.566 -10.933 10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 702 9.949 -10.653 11.107 1.00 0.00 H new ATOM 0 HG2 GLU A 702 10.350 -13.036 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 702 9.039 -12.400 9.673 1.00 0.00 H new ATOM 900 N VAL A 703 7.916 -10.284 8.665 1.00 0.00 N ATOM 901 CA VAL A 703 6.760 -10.704 7.883 1.00 0.00 C ATOM 902 C VAL A 703 6.794 -10.101 6.483 1.00 0.00 C ATOM 903 O VAL A 703 6.600 -10.801 5.490 1.00 0.00 O ATOM 904 CB VAL A 703 5.441 -10.303 8.570 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.259 -10.558 7.648 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.275 -11.054 9.883 1.00 0.00 C ATOM 0 H VAL A 703 7.688 -9.911 9.587 1.00 0.00 H new ATOM 0 HA VAL A 703 6.807 -11.790 7.809 1.00 0.00 H new ATOM 0 HB VAL A 703 5.476 -9.236 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.336 -10.269 8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.375 -9.971 6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.217 -11.617 7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.338 -10.759 10.355 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.262 -12.127 9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.106 -10.815 10.546 1.00 0.00 H new ATOM 916 N ALA A 704 7.043 -8.797 6.413 1.00 0.00 N ATOM 917 CA ALA A 704 7.106 -8.100 5.134 1.00 0.00 C ATOM 918 C ALA A 704 8.007 -8.837 4.150 1.00 0.00 C ATOM 919 O ALA A 704 7.558 -9.274 3.091 1.00 0.00 O ATOM 920 CB ALA A 704 7.596 -6.673 5.335 1.00 0.00 C ATOM 0 H ALA A 704 7.204 -8.203 7.226 1.00 0.00 H new ATOM 0 HA ALA A 704 6.101 -8.072 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.638 -6.164 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.911 -6.143 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.590 -6.689 5.781 1.00 0.00 H new ATOM 926 N GLU A 705 9.281 -8.971 4.507 1.00 0.00 N ATOM 927 CA GLU A 705 10.245 -9.655 3.653 1.00 0.00 C ATOM 928 C GLU A 705 9.685 -10.986 3.158 1.00 0.00 C ATOM 929 O GLU A 705 10.114 -11.508 2.129 1.00 0.00 O ATOM 930 CB GLU A 705 11.554 -9.889 4.409 1.00 0.00 C ATOM 931 CG GLU A 705 12.420 -8.646 4.527 1.00 0.00 C ATOM 932 CD GLU A 705 13.761 -8.928 5.176 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.409 -9.923 4.788 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.161 -8.156 6.071 1.00 0.00 O ATOM 0 H GLU A 705 9.669 -8.615 5.381 1.00 0.00 H new ATOM 0 HA GLU A 705 10.442 -9.020 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.325 -10.258 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.121 -10.670 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.582 -8.225 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 705 11.890 -7.893 5.110 1.00 0.00 H new ATOM 941 N ARG A 706 8.726 -11.530 3.899 1.00 0.00 N ATOM 942 CA ARG A 706 8.109 -12.801 3.538 1.00 0.00 C ATOM 943 C ARG A 706 6.939 -12.584 2.582 1.00 0.00 C ATOM 944 O ARG A 706 6.784 -13.311 1.601 1.00 0.00 O ATOM 945 CB ARG A 706 7.628 -13.533 4.792 1.00 0.00 C ATOM 946 CG ARG A 706 7.396 -15.020 4.577 1.00 0.00 C ATOM 947 CD ARG A 706 6.599 -15.630 5.720 1.00 0.00 C ATOM 948 NE ARG A 706 6.177 -16.997 5.424 1.00 0.00 N ATOM 949 CZ ARG A 706 5.326 -17.682 6.179 1.00 0.00 C ATOM 950 NH1 ARG A 706 4.808 -17.132 7.268 1.00 0.00 N ATOM 951 NH2 ARG A 706 4.990 -18.922 5.844 1.00 0.00 N ATOM 0 H ARG A 706 8.359 -11.111 4.753 1.00 0.00 H new ATOM 0 HA ARG A 706 8.859 -13.411 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.364 -13.399 5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.701 -13.075 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.864 -15.174 3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.355 -15.530 4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 706 7.204 -15.626 6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.722 -15.015 5.919 1.00 0.00 H new ATOM 0 HE ARG A 706 6.557 -17.450 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 706 5.063 -16.179 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 706 4.155 -17.661 7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 706 5.386 -19.349 5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 706 4.336 -19.448 6.424 1.00 0.00 H new ATOM 965 N ALA A 707 6.119 -11.581 2.876 1.00 0.00 N ATOM 966 CA ALA A 707 4.965 -11.268 2.042 1.00 0.00 C ATOM 967 C ALA A 707 5.399 -10.803 0.656 1.00 0.00 C ATOM 968 O ALA A 707 5.005 -11.385 -0.356 1.00 0.00 O ATOM 969 CB ALA A 707 4.103 -10.207 2.710 1.00 0.00 C ATOM 0 H ALA A 707 6.232 -10.971 3.686 1.00 0.00 H new ATOM 0 HA ALA A 707 4.376 -12.178 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.245 -9.983 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.755 -10.576 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.691 -9.301 2.858 1.00 0.00 H new ATOM 975 N CYS A 708 6.211 -9.753 0.616 1.00 0.00 N ATOM 976 CA CYS A 708 6.697 -9.209 -0.647 1.00 0.00 C ATOM 977 C CYS A 708 7.112 -10.328 -1.597 1.00 0.00 C ATOM 978 O CYS A 708 6.825 -10.279 -2.793 1.00 0.00 O ATOM 979 CB CYS A 708 7.878 -8.269 -0.401 1.00 0.00 C ATOM 980 SG CYS A 708 9.434 -9.117 -0.038 1.00 0.00 S ATOM 0 H CYS A 708 6.547 -9.261 1.444 1.00 0.00 H new ATOM 0 HA CYS A 708 5.885 -8.647 -1.108 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.016 -7.639 -1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 708 7.635 -7.607 0.430 1.00 0.00 H new ATOM 0 HG CYS A 708 10.373 -8.238 0.153 1.00 0.00 H new ATOM 986 N ARG A 709 7.791 -11.335 -1.056 1.00 0.00 N ATOM 987 CA ARG A 709 8.248 -12.465 -1.856 1.00 0.00 C ATOM 988 C ARG A 709 7.114 -13.459 -2.092 1.00 0.00 C ATOM 989 O ARG A 709 7.028 -14.077 -3.152 1.00 0.00 O ATOM 990 CB ARG A 709 9.419 -13.166 -1.165 1.00 0.00 C ATOM 991 CG ARG A 709 10.779 -12.629 -1.577 1.00 0.00 C ATOM 992 CD ARG A 709 11.785 -12.729 -0.441 1.00 0.00 C ATOM 993 NE ARG A 709 13.159 -12.800 -0.931 1.00 0.00 N ATOM 994 CZ ARG A 709 14.220 -12.878 -0.135 1.00 0.00 C ATOM 995 NH1 ARG A 709 14.065 -12.894 1.182 1.00 0.00 N ATOM 996 NH2 ARG A 709 15.439 -12.939 -0.656 1.00 0.00 N ATOM 0 H ARG A 709 8.036 -11.391 -0.068 1.00 0.00 H new ATOM 0 HA ARG A 709 8.580 -12.083 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.308 -13.061 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 709 9.376 -14.232 -1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 709 11.145 -13.186 -2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.682 -11.589 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 709 11.678 -11.865 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.568 -13.613 0.159 1.00 0.00 H new ATOM 0 HE ARG A 709 13.312 -12.789 -1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 709 13.130 -12.846 1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 709 14.881 -12.954 1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 709 15.562 -12.926 -1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 709 16.253 -12.999 -0.044 1.00 0.00 H new ATOM 1010 N MET A 710 6.246 -13.606 -1.096 1.00 0.00 N ATOM 1011 CA MET A 710 5.117 -14.523 -1.195 1.00 0.00 C ATOM 1012 C MET A 710 3.997 -13.918 -2.036 1.00 0.00 C ATOM 1013 O MET A 710 3.029 -14.596 -2.376 1.00 0.00 O ATOM 1014 CB MET A 710 4.592 -14.873 0.199 1.00 0.00 C ATOM 1015 CG MET A 710 5.278 -16.080 0.820 1.00 0.00 C ATOM 1016 SD MET A 710 4.198 -16.991 1.940 1.00 0.00 S ATOM 1017 CE MET A 710 4.071 -15.835 3.303 1.00 0.00 C ATOM 0 H MET A 710 6.303 -13.102 -0.211 1.00 0.00 H new ATOM 0 HA MET A 710 5.463 -15.434 -1.684 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.724 -14.013 0.855 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.521 -15.065 0.137 1.00 0.00 H new ATOM 0 HG2 MET A 710 5.619 -16.747 0.028 1.00 0.00 H new ATOM 0 HG3 MET A 710 6.164 -15.750 1.363 1.00 0.00 H new ATOM 0 HE1 MET A 710 3.979 -16.385 4.239 1.00 0.00 H new ATOM 0 HE2 MET A 710 4.964 -15.211 3.335 1.00 0.00 H new ATOM 0 HE3 MET A 710 3.193 -15.205 3.165 1.00 0.00 H new ATOM 1027 N MET A 711 4.136 -12.638 -2.366 1.00 0.00 N ATOM 1028 CA MET A 711 3.136 -11.943 -3.167 1.00 0.00 C ATOM 1029 C MET A 711 3.722 -11.500 -4.504 1.00 0.00 C ATOM 1030 O MET A 711 2.990 -11.237 -5.456 1.00 0.00 O ATOM 1031 CB MET A 711 2.596 -10.730 -2.407 1.00 0.00 C ATOM 1032 CG MET A 711 1.849 -11.094 -1.133 1.00 0.00 C ATOM 1033 SD MET A 711 0.548 -12.310 -1.414 1.00 0.00 S ATOM 1034 CE MET A 711 -0.900 -11.376 -0.927 1.00 0.00 C ATOM 0 H MET A 711 4.931 -12.062 -2.091 1.00 0.00 H new ATOM 0 HA MET A 711 2.317 -12.636 -3.361 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.426 -10.070 -2.156 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.929 -10.169 -3.062 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.556 -11.486 -0.402 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.412 -10.193 -0.703 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.784 -11.799 -1.405 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.016 -11.422 0.156 1.00 0.00 H new ATOM 0 HE3 MET A 711 -0.783 -10.337 -1.235 1.00 0.00 H new ATOM 1044 N ASN A 712 5.047 -11.419 -4.566 1.00 0.00 N ATOM 1045 CA ASN A 712 5.731 -11.007 -5.786 1.00 0.00 C ATOM 1046 C ASN A 712 5.318 -11.883 -6.964 1.00 0.00 C ATOM 1047 O ASN A 712 5.589 -13.083 -6.985 1.00 0.00 O ATOM 1048 CB ASN A 712 7.248 -11.075 -5.594 1.00 0.00 C ATOM 1049 CG ASN A 712 8.006 -10.838 -6.886 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.605 -11.312 -7.949 1.00 0.00 O ATOM 1051 ND2 ASN A 712 9.108 -10.103 -6.799 1.00 0.00 N ATOM 0 H ASN A 712 5.668 -11.633 -3.786 1.00 0.00 H new ATOM 0 HA ASN A 712 5.444 -9.978 -6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.552 -10.332 -4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.517 -12.052 -5.192 1.00 0.00 H new ATOM 0 HD21 ASN A 712 9.660 -9.911 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.403 -9.730 -5.896 1.00 0.00 H new ATOM 1058 N GLY A 713 4.659 -11.274 -7.946 1.00 0.00 N ATOM 1059 CA GLY A 713 4.218 -12.014 -9.114 1.00 0.00 C ATOM 1060 C GLY A 713 2.873 -12.680 -8.906 1.00 0.00 C ATOM 1061 O GLY A 713 2.512 -13.606 -9.632 1.00 0.00 O ATOM 0 H GLY A 713 4.423 -10.282 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.157 -11.338 -9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 713 4.961 -12.772 -9.361 1.00 0.00 H new ATOM 1065 N MET A 714 2.130 -12.210 -7.909 1.00 0.00 N ATOM 1066 CA MET A 714 0.816 -12.768 -7.607 1.00 0.00 C ATOM 1067 C MET A 714 -0.196 -12.390 -8.684 1.00 0.00 C ATOM 1068 O MET A 714 -0.773 -11.303 -8.654 1.00 0.00 O ATOM 1069 CB MET A 714 0.332 -12.277 -6.241 1.00 0.00 C ATOM 1070 CG MET A 714 -1.103 -12.669 -5.928 1.00 0.00 C ATOM 1071 SD MET A 714 -1.506 -12.491 -4.180 1.00 0.00 S ATOM 1072 CE MET A 714 -1.750 -10.720 -4.068 1.00 0.00 C ATOM 0 H MET A 714 2.415 -11.445 -7.297 1.00 0.00 H new ATOM 0 HA MET A 714 0.906 -13.854 -7.584 1.00 0.00 H new ATOM 0 HB2 MET A 714 0.987 -12.678 -5.467 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.420 -11.191 -6.202 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.781 -12.052 -6.518 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.268 -13.703 -6.231 1.00 0.00 H new ATOM 0 HE1 MET A 714 -2.670 -10.513 -3.521 1.00 0.00 H new ATOM 0 HE2 MET A 714 -0.907 -10.269 -3.545 1.00 0.00 H new ATOM 0 HE3 MET A 714 -1.822 -10.299 -5.071 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.406 -13.294 -9.635 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.349 -13.056 -10.722 1.00 0.00 C ATOM 1084 C LYS A 715 -2.707 -12.622 -10.179 1.00 0.00 C ATOM 1085 O LYS A 715 -3.491 -13.447 -9.708 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.507 -14.319 -11.572 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.546 -14.387 -12.746 1.00 0.00 C ATOM 1088 CD LYS A 715 -1.135 -13.735 -13.986 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.478 -14.258 -15.255 1.00 0.00 C ATOM 1090 NZ LYS A 715 -1.181 -15.456 -15.791 1.00 0.00 N ATOM 0 H LYS A 715 0.064 -14.198 -9.675 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.953 -12.253 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.357 -15.194 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.529 -14.369 -11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.388 -13.892 -12.482 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.305 -15.428 -12.961 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -2.207 -13.926 -14.025 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -1.006 -12.654 -13.927 1.00 0.00 H new ATOM 0 HE2 LYS A 715 -0.472 -13.473 -16.011 1.00 0.00 H new ATOM 0 HE3 LYS A 715 0.562 -14.510 -15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -0.703 -15.781 -16.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -1.165 -16.215 -15.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -2.167 -15.210 -16.013 1.00 0.00 H new ATOM 1104 N LEU A 716 -2.979 -11.324 -10.248 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.243 -10.780 -9.765 1.00 0.00 C ATOM 1106 C LEU A 716 -5.206 -10.531 -10.921 1.00 0.00 C ATOM 1107 O LEU A 716 -4.909 -9.762 -11.835 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.002 -9.479 -8.998 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.509 -9.630 -7.558 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.025 -8.293 -7.017 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.610 -10.198 -6.675 1.00 0.00 C ATOM 0 H LEU A 716 -2.341 -10.628 -10.634 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.692 -11.512 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.273 -8.885 -9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -4.932 -8.911 -8.985 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.670 -10.326 -7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.678 -8.420 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.205 -7.926 -7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -3.844 -7.574 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.242 -10.299 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.468 -9.526 -6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -4.910 -11.176 -7.051 1.00 0.00 H new ATOM 1123 N SER A 717 -6.362 -11.186 -10.873 1.00 0.00 N ATOM 1124 CA SER A 717 -7.369 -11.037 -11.918 1.00 0.00 C ATOM 1125 C SER A 717 -6.718 -10.986 -13.296 1.00 0.00 C ATOM 1126 O SER A 717 -7.067 -10.152 -14.130 1.00 0.00 O ATOM 1127 CB SER A 717 -8.193 -9.769 -11.683 1.00 0.00 C ATOM 1128 OG SER A 717 -9.505 -9.911 -12.201 1.00 0.00 O ATOM 0 H SER A 717 -6.624 -11.825 -10.122 1.00 0.00 H new ATOM 0 HA SER A 717 -8.029 -11.904 -11.879 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.241 -9.555 -10.615 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.702 -8.919 -12.156 1.00 0.00 H new ATOM 0 HG SER A 717 -10.012 -9.089 -12.037 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.768 -11.887 -13.529 1.00 0.00 N ATOM 1135 CA GLY A 718 -5.082 -11.929 -14.807 1.00 0.00 C ATOM 1136 C GLY A 718 -4.091 -10.794 -14.971 1.00 0.00 C ATOM 1137 O GLY A 718 -3.803 -10.369 -16.090 1.00 0.00 O ATOM 0 H GLY A 718 -5.461 -12.589 -12.855 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.559 -12.880 -14.904 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.816 -11.885 -15.611 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.569 -10.300 -13.853 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.607 -9.205 -13.877 1.00 0.00 C ATOM 1143 C ARG A 719 -1.492 -9.438 -12.861 1.00 0.00 C ATOM 1144 O ARG A 719 -1.715 -9.359 -11.654 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.307 -7.877 -13.587 1.00 0.00 C ATOM 1146 CG ARG A 719 -4.168 -7.378 -14.735 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.067 -6.231 -14.301 1.00 0.00 C ATOM 1148 NE ARG A 719 -5.350 -5.311 -15.399 1.00 0.00 N ATOM 1149 CZ ARG A 719 -6.327 -5.496 -16.279 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -7.111 -6.561 -16.190 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -6.522 -4.614 -17.251 1.00 0.00 N ATOM 0 H ARG A 719 -3.796 -10.641 -12.919 1.00 0.00 H new ATOM 0 HA ARG A 719 -2.165 -9.165 -14.872 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.930 -7.991 -12.700 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.555 -7.123 -13.354 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -3.529 -7.050 -15.555 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.779 -8.197 -15.115 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -6.004 -6.631 -13.913 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -4.591 -5.686 -13.485 1.00 0.00 H new ATOM 0 HE ARG A 719 -4.765 -4.481 -15.495 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -6.965 -7.241 -15.444 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -7.861 -6.700 -16.867 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -5.921 -3.793 -17.323 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -7.273 -4.757 -17.926 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.294 -9.726 -13.360 1.00 0.00 N ATOM 1166 CA GLU A 720 0.854 -9.972 -12.495 1.00 0.00 C ATOM 1167 C GLU A 720 1.259 -8.701 -11.755 1.00 0.00 C ATOM 1168 O GLU A 720 1.506 -7.664 -12.371 1.00 0.00 O ATOM 1169 CB GLU A 720 2.034 -10.497 -13.315 1.00 0.00 C ATOM 1170 CG GLU A 720 2.040 -12.008 -13.475 1.00 0.00 C ATOM 1171 CD GLU A 720 2.852 -12.465 -14.671 1.00 0.00 C ATOM 1172 OE1 GLU A 720 2.857 -11.747 -15.693 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.481 -13.540 -14.587 1.00 0.00 O ATOM 0 H GLU A 720 -0.093 -9.795 -14.358 1.00 0.00 H new ATOM 0 HA GLU A 720 0.569 -10.724 -11.759 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.013 -10.036 -14.302 1.00 0.00 H new ATOM 0 HB3 GLU A 720 2.964 -10.187 -12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.444 -12.464 -12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.015 -12.363 -13.580 1.00 0.00 H new ATOM 1180 N ILE A 721 1.325 -8.790 -10.431 1.00 0.00 N ATOM 1181 CA ILE A 721 1.701 -7.648 -9.607 1.00 0.00 C ATOM 1182 C ILE A 721 3.164 -7.731 -9.186 1.00 0.00 C ATOM 1183 O ILE A 721 3.747 -8.815 -9.143 1.00 0.00 O ATOM 1184 CB ILE A 721 0.821 -7.548 -8.348 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.056 -8.756 -7.438 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.648 -7.447 -8.734 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.554 -8.555 -6.025 1.00 0.00 C ATOM 0 H ILE A 721 1.123 -9.641 -9.906 1.00 0.00 H new ATOM 0 HA ILE A 721 1.551 -6.757 -10.217 1.00 0.00 H new ATOM 0 HB ILE A 721 1.096 -6.646 -7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.563 -9.627 -7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.123 -8.976 -7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.257 -7.377 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.803 -6.559 -9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.937 -8.333 -9.300 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.754 -9.451 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 721 1.065 -7.704 -5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.519 -8.365 -6.044 1.00 0.00 H new ATOM 1199 N ASP A 722 3.751 -6.581 -8.874 1.00 0.00 N ATOM 1200 CA ASP A 722 5.146 -6.524 -8.453 1.00 0.00 C ATOM 1201 C ASP A 722 5.260 -6.022 -7.017 1.00 0.00 C ATOM 1202 O ASP A 722 5.105 -4.830 -6.751 1.00 0.00 O ATOM 1203 CB ASP A 722 5.947 -5.617 -9.389 1.00 0.00 C ATOM 1204 CG ASP A 722 6.361 -6.324 -10.665 1.00 0.00 C ATOM 1205 OD1 ASP A 722 7.021 -7.380 -10.571 1.00 0.00 O ATOM 1206 OD2 ASP A 722 6.024 -5.820 -11.757 1.00 0.00 O ATOM 0 H ASP A 722 3.282 -5.675 -8.905 1.00 0.00 H new ATOM 0 HA ASP A 722 5.556 -7.533 -8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.350 -4.740 -9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 722 6.836 -5.259 -8.870 1.00 0.00 H new ATOM 1211 N VAL A 723 5.530 -6.939 -6.094 1.00 0.00 N ATOM 1212 CA VAL A 723 5.665 -6.589 -4.685 1.00 0.00 C ATOM 1213 C VAL A 723 7.128 -6.590 -4.256 1.00 0.00 C ATOM 1214 O VAL A 723 7.883 -7.502 -4.591 1.00 0.00 O ATOM 1215 CB VAL A 723 4.877 -7.563 -3.787 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.690 -6.974 -2.398 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.535 -7.901 -4.418 1.00 0.00 C ATOM 0 H VAL A 723 5.660 -7.930 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 723 5.256 -5.586 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 723 5.449 -8.486 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.132 -7.675 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.665 -6.788 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.139 -6.036 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 723 2.992 -8.590 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 723 2.953 -6.988 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.697 -8.368 -5.390 1.00 0.00 H new ATOM 1227 N ARG A 724 7.521 -5.562 -3.511 1.00 0.00 N ATOM 1228 CA ARG A 724 8.894 -5.443 -3.036 1.00 0.00 C ATOM 1229 C ARG A 724 8.969 -4.537 -1.810 1.00 0.00 C ATOM 1230 O ARG A 724 8.074 -3.727 -1.570 1.00 0.00 O ATOM 1231 CB ARG A 724 9.794 -4.894 -4.145 1.00 0.00 C ATOM 1232 CG ARG A 724 10.058 -5.889 -5.263 1.00 0.00 C ATOM 1233 CD ARG A 724 11.162 -5.405 -6.190 1.00 0.00 C ATOM 1234 NE ARG A 724 12.481 -5.850 -5.750 1.00 0.00 N ATOM 1235 CZ ARG A 724 12.865 -7.122 -5.748 1.00 0.00 C ATOM 1236 NH1 ARG A 724 12.034 -8.069 -6.161 1.00 0.00 N ATOM 1237 NH2 ARG A 724 14.082 -7.448 -5.332 1.00 0.00 N ATOM 0 H ARG A 724 6.908 -4.799 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 724 9.242 -6.437 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 724 9.333 -4.001 -4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.746 -4.587 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 724 10.336 -6.852 -4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 724 9.144 -6.046 -5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 724 10.974 -5.771 -7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 724 11.144 -4.316 -6.237 1.00 0.00 H new ATOM 0 HE ARG A 724 13.144 -5.146 -5.426 1.00 0.00 H new ATOM 0 HH11 ARG A 724 11.098 -7.822 -6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 724 12.331 -9.045 -6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 724 14.724 -6.722 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 724 14.376 -8.425 -5.331 1.00 0.00 H new ATOM 1251 N ILE A 725 10.041 -4.682 -1.039 1.00 0.00 N ATOM 1252 CA ILE A 725 10.233 -3.877 0.161 1.00 0.00 C ATOM 1253 C ILE A 725 10.312 -2.392 -0.180 1.00 0.00 C ATOM 1254 O ILE A 725 10.995 -1.998 -1.126 1.00 0.00 O ATOM 1255 CB ILE A 725 11.510 -4.287 0.916 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.478 -5.782 1.243 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.661 -3.465 2.187 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.215 -6.218 1.953 1.00 0.00 C ATOM 0 H ILE A 725 10.790 -5.349 -1.224 1.00 0.00 H new ATOM 0 HA ILE A 725 9.369 -4.055 0.802 1.00 0.00 H new ATOM 0 HB ILE A 725 12.371 -4.092 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.580 -6.350 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.338 -6.028 1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.569 -3.767 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.724 -2.407 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.798 -3.631 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.261 -7.288 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.121 -5.676 2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.351 -6.004 1.324 1.00 0.00 H new ATOM 1270 N ASP A 726 9.611 -1.574 0.597 1.00 0.00 N ATOM 1271 CA ASP A 726 9.604 -0.132 0.380 1.00 0.00 C ATOM 1272 C ASP A 726 10.761 0.534 1.117 1.00 0.00 C ATOM 1273 O ASP A 726 10.580 1.095 2.198 1.00 0.00 O ATOM 1274 CB ASP A 726 8.275 0.468 0.842 1.00 0.00 C ATOM 1275 CG ASP A 726 7.979 1.799 0.180 1.00 0.00 C ATOM 1276 OD1 ASP A 726 7.593 1.798 -1.008 1.00 0.00 O ATOM 1277 OD2 ASP A 726 8.133 2.842 0.849 1.00 0.00 O ATOM 0 H ASP A 726 9.040 -1.885 1.383 1.00 0.00 H new ATOM 0 HA ASP A 726 9.724 0.051 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.468 -0.231 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.296 0.600 1.924 1.00 0.00 H new