USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 359 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 Single : B 712 CYS SG : rot 180:sc= 0 USER MOD Single : B 716 LYS NZ :NH3+ -162:sc= -0.0228 (180deg=-0.323) USER MOD Single : B 720 THR OG1 : rot 72:sc= 0.0454 USER MOD Single : B 722 HIS : no HD1:sc= -0.0784 K(o=-0.078,f=-0.7) USER MOD Single : B 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.9!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ -165:sc= -0.0156 (180deg=-0.254) USER MOD Single : B 751 THR OG1 : rot 72:sc= 0.298 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 74:sc= 0.697 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : B 756 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.6) USER MOD Single : B 758 THR OG1 : rot 141:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -2.385 -9.619 24.068 1.00 0.00 N ATOM 13 CA PRO B 710 -1.896 -8.867 22.874 1.00 0.00 C ATOM 14 C PRO B 710 -2.009 -9.693 21.593 1.00 0.00 C ATOM 15 O PRO B 710 -2.007 -9.148 20.489 1.00 0.00 O ATOM 16 CB PRO B 710 -0.423 -8.557 23.213 1.00 0.00 C ATOM 17 CG PRO B 710 -0.028 -9.600 24.215 1.00 0.00 C ATOM 18 CD PRO B 710 -1.291 -9.927 25.008 1.00 0.00 C ATOM 0 HA PRO B 710 -2.485 -7.970 22.681 1.00 0.00 H new ATOM 0 HB2 PRO B 710 0.205 -8.606 22.324 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -0.315 -7.553 23.625 1.00 0.00 H new ATOM 0 HG2 PRO B 710 0.361 -10.489 23.719 1.00 0.00 H new ATOM 0 HG3 PRO B 710 0.760 -9.231 24.872 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -1.311 -10.972 25.316 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -1.361 -9.326 25.915 1.00 0.00 H new ATOM 26 N GLU B 711 -2.102 -11.009 21.747 1.00 0.00 N ATOM 27 CA GLU B 711 -2.207 -11.894 20.596 1.00 0.00 C ATOM 28 C GLU B 711 -3.520 -11.661 19.859 1.00 0.00 C ATOM 29 O GLU B 711 -3.571 -11.706 18.630 1.00 0.00 O ATOM 30 CB GLU B 711 -2.121 -13.354 21.048 1.00 0.00 C ATOM 31 CG GLU B 711 -2.142 -14.273 19.825 1.00 0.00 C ATOM 32 CD GLU B 711 -1.970 -15.723 20.260 1.00 0.00 C ATOM 33 OE1 GLU B 711 -2.044 -15.977 21.451 1.00 0.00 O ATOM 34 OE2 GLU B 711 -1.770 -16.560 19.395 1.00 0.00 O ATOM 0 H GLU B 711 -2.107 -11.482 22.650 1.00 0.00 H new ATOM 0 HA GLU B 711 -1.381 -11.677 19.918 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -1.207 -13.515 21.620 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -2.956 -13.591 21.707 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -3.083 -14.155 19.287 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -1.344 -13.994 19.137 1.00 0.00 H new ATOM 41 N CYS B 712 -4.581 -11.411 20.619 1.00 0.00 N ATOM 42 CA CYS B 712 -5.891 -11.172 20.026 1.00 0.00 C ATOM 43 C CYS B 712 -5.877 -9.896 19.191 1.00 0.00 C ATOM 44 O CYS B 712 -6.487 -9.833 18.125 1.00 0.00 O ATOM 45 CB CYS B 712 -6.947 -11.054 21.127 1.00 0.00 C ATOM 46 SG CYS B 712 -7.112 -12.644 21.976 1.00 0.00 S ATOM 0 H CYS B 712 -4.560 -11.369 21.638 1.00 0.00 H new ATOM 0 HA CYS B 712 -6.135 -12.013 19.377 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -6.662 -10.278 21.837 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -7.904 -10.758 20.698 1.00 0.00 H new ATOM 0 HG CYS B 712 -8.007 -12.545 22.913 1.00 0.00 H new ATOM 52 N LEU B 713 -5.179 -8.879 19.685 1.00 0.00 N ATOM 53 CA LEU B 713 -5.097 -7.607 18.976 1.00 0.00 C ATOM 54 C LEU B 713 -4.413 -7.793 17.626 1.00 0.00 C ATOM 55 O LEU B 713 -4.840 -7.227 16.621 1.00 0.00 O ATOM 56 CB LEU B 713 -4.312 -6.590 19.821 1.00 0.00 C ATOM 57 CG LEU B 713 -5.231 -5.980 20.883 1.00 0.00 C ATOM 58 CD1 LEU B 713 -5.733 -7.082 21.817 1.00 0.00 C ATOM 59 CD2 LEU B 713 -4.451 -4.941 21.692 1.00 0.00 C ATOM 0 H LEU B 713 -4.666 -8.909 20.566 1.00 0.00 H new ATOM 0 HA LEU B 713 -6.108 -7.235 18.808 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -3.463 -7.079 20.299 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -3.909 -5.805 19.181 1.00 0.00 H new ATOM 0 HG LEU B 713 -6.082 -5.501 20.398 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -6.387 -6.648 22.573 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -6.286 -7.823 21.241 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -4.884 -7.561 22.304 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -5.103 -4.505 22.449 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -3.601 -5.421 22.178 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -4.092 -4.156 21.026 1.00 0.00 H new ATOM 71 N ILE B 714 -3.349 -8.587 17.612 1.00 0.00 N ATOM 72 CA ILE B 714 -2.615 -8.835 16.379 1.00 0.00 C ATOM 73 C ILE B 714 -3.502 -9.556 15.366 1.00 0.00 C ATOM 74 O ILE B 714 -3.517 -9.213 14.183 1.00 0.00 O ATOM 75 CB ILE B 714 -1.373 -9.683 16.673 1.00 0.00 C ATOM 76 CG1 ILE B 714 -0.390 -8.869 17.516 1.00 0.00 C ATOM 77 CG2 ILE B 714 -0.701 -10.084 15.357 1.00 0.00 C ATOM 78 CD1 ILE B 714 0.710 -9.789 18.049 1.00 0.00 C ATOM 0 H ILE B 714 -2.978 -9.066 18.433 1.00 0.00 H new ATOM 0 HA ILE B 714 -2.308 -7.877 15.959 1.00 0.00 H new ATOM 0 HB ILE B 714 -1.668 -10.580 17.218 1.00 0.00 H new ATOM 0 HG12 ILE B 714 0.048 -8.072 16.915 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -0.913 -8.392 18.345 1.00 0.00 H new ATOM 0 HG21 ILE B 714 0.182 -10.687 15.568 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -1.400 -10.663 14.753 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -0.406 -9.188 14.811 1.00 0.00 H new ATOM 0 HD11 ILE B 714 1.410 -9.209 18.650 1.00 0.00 H new ATOM 0 HD12 ILE B 714 0.264 -10.570 18.665 1.00 0.00 H new ATOM 0 HD13 ILE B 714 1.240 -10.245 17.213 1.00 0.00 H new ATOM 90 N TRP B 715 -4.237 -10.555 15.840 1.00 0.00 N ATOM 91 CA TRP B 715 -5.120 -11.319 14.968 1.00 0.00 C ATOM 92 C TRP B 715 -6.166 -10.409 14.335 1.00 0.00 C ATOM 93 O TRP B 715 -6.460 -10.518 13.144 1.00 0.00 O ATOM 94 CB TRP B 715 -5.815 -12.424 15.765 1.00 0.00 C ATOM 95 CG TRP B 715 -6.653 -13.253 14.845 1.00 0.00 C ATOM 96 CD1 TRP B 715 -8.005 -13.246 14.807 1.00 0.00 C ATOM 97 CD2 TRP B 715 -6.219 -14.206 13.833 1.00 0.00 C ATOM 98 NE1 TRP B 715 -8.429 -14.135 13.835 1.00 0.00 N ATOM 99 CE2 TRP B 715 -7.366 -14.751 13.206 1.00 0.00 C ATOM 100 CE3 TRP B 715 -4.955 -14.647 13.399 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -7.262 -15.699 12.189 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -4.848 -15.602 12.375 1.00 0.00 C ATOM 103 CH2 TRP B 715 -5.999 -16.126 11.770 1.00 0.00 C ATOM 0 H TRP B 715 -4.240 -10.853 16.815 1.00 0.00 H new ATOM 0 HA TRP B 715 -4.519 -11.767 14.177 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -5.073 -13.050 16.261 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -6.437 -11.987 16.546 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -8.648 -12.645 15.433 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -9.408 -14.313 13.611 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -4.062 -14.248 13.856 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -8.152 -16.101 11.728 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -3.873 -15.935 12.051 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -5.910 -16.858 10.981 1.00 0.00 H new ATOM 114 N LYS B 716 -6.724 -9.510 15.139 1.00 0.00 N ATOM 115 CA LYS B 716 -7.741 -8.589 14.648 1.00 0.00 C ATOM 116 C LYS B 716 -7.167 -7.697 13.554 1.00 0.00 C ATOM 117 O LYS B 716 -7.856 -7.354 12.592 1.00 0.00 O ATOM 118 CB LYS B 716 -8.261 -7.723 15.798 1.00 0.00 C ATOM 119 CG LYS B 716 -9.421 -6.855 15.303 1.00 0.00 C ATOM 120 CD LYS B 716 -9.994 -6.053 16.472 1.00 0.00 C ATOM 121 CE LYS B 716 -11.176 -5.212 15.983 1.00 0.00 C ATOM 122 NZ LYS B 716 -10.683 -4.161 15.049 1.00 0.00 N ATOM 0 H LYS B 716 -6.491 -9.400 16.126 1.00 0.00 H new ATOM 0 HA LYS B 716 -8.564 -9.171 14.233 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -8.592 -8.355 16.622 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -7.460 -7.092 16.183 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -9.076 -6.180 14.520 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -10.197 -7.482 14.864 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -10.317 -6.727 17.266 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -9.225 -5.407 16.896 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -11.905 -5.847 15.481 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -11.684 -4.752 16.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -11.402 -3.415 14.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -9.804 -3.749 15.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -10.499 -4.584 14.117 1.00 0.00 H new ATOM 136 N LEU B 717 -5.904 -7.322 13.709 1.00 0.00 N ATOM 137 CA LEU B 717 -5.254 -6.468 12.731 1.00 0.00 C ATOM 138 C LEU B 717 -5.204 -7.161 11.376 1.00 0.00 C ATOM 139 O LEU B 717 -5.409 -6.535 10.337 1.00 0.00 O ATOM 140 CB LEU B 717 -3.829 -6.125 13.189 1.00 0.00 C ATOM 141 CG LEU B 717 -3.146 -5.212 12.157 1.00 0.00 C ATOM 142 CD1 LEU B 717 -3.952 -3.908 11.992 1.00 0.00 C ATOM 143 CD2 LEU B 717 -1.727 -4.888 12.630 1.00 0.00 C ATOM 0 H LEU B 717 -5.316 -7.594 14.496 1.00 0.00 H new ATOM 0 HA LEU B 717 -5.830 -5.547 12.639 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -3.860 -5.630 14.160 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -3.250 -7.040 13.316 1.00 0.00 H new ATOM 0 HG LEU B 717 -3.102 -5.723 11.195 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -3.461 -3.267 11.259 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -4.960 -4.144 11.650 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -4.005 -3.390 12.949 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -1.239 -4.241 11.901 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -1.772 -4.380 13.593 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -1.158 -5.812 12.733 1.00 0.00 H new ATOM 155 N LEU B 718 -4.916 -8.454 11.393 1.00 0.00 N ATOM 156 CA LEU B 718 -4.826 -9.216 10.158 1.00 0.00 C ATOM 157 C LEU B 718 -6.160 -9.191 9.421 1.00 0.00 C ATOM 158 O LEU B 718 -6.204 -9.063 8.197 1.00 0.00 O ATOM 159 CB LEU B 718 -4.430 -10.666 10.459 1.00 0.00 C ATOM 160 CG LEU B 718 -4.423 -11.495 9.163 1.00 0.00 C ATOM 161 CD1 LEU B 718 -3.477 -10.851 8.134 1.00 0.00 C ATOM 162 CD2 LEU B 718 -3.956 -12.917 9.475 1.00 0.00 C ATOM 0 H LEU B 718 -4.742 -8.993 12.241 1.00 0.00 H new ATOM 0 HA LEU B 718 -4.063 -8.761 9.526 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -3.443 -10.693 10.922 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -5.129 -11.101 11.174 1.00 0.00 H new ATOM 0 HG LEU B 718 -5.430 -11.525 8.747 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -3.477 -11.443 7.219 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -3.816 -9.839 7.911 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -2.467 -10.814 8.542 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -3.950 -13.507 8.559 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -2.950 -12.886 9.893 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -4.635 -13.373 10.196 1.00 0.00 H new ATOM 174 N ILE B 719 -7.243 -9.323 10.174 1.00 0.00 N ATOM 175 CA ILE B 719 -8.574 -9.323 9.579 1.00 0.00 C ATOM 176 C ILE B 719 -8.855 -7.985 8.901 1.00 0.00 C ATOM 177 O ILE B 719 -9.398 -7.943 7.797 1.00 0.00 O ATOM 178 CB ILE B 719 -9.629 -9.579 10.658 1.00 0.00 C ATOM 179 CG1 ILE B 719 -9.303 -10.884 11.388 1.00 0.00 C ATOM 180 CG2 ILE B 719 -11.013 -9.691 10.013 1.00 0.00 C ATOM 181 CD1 ILE B 719 -10.263 -11.070 12.566 1.00 0.00 C ATOM 0 H ILE B 719 -7.229 -9.431 11.188 1.00 0.00 H new ATOM 0 HA ILE B 719 -8.618 -10.116 8.832 1.00 0.00 H new ATOM 0 HB ILE B 719 -9.627 -8.751 11.367 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -9.387 -11.727 10.702 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -8.273 -10.865 11.745 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -11.761 -9.873 10.785 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -11.248 -8.763 9.492 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -11.017 -10.517 9.302 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -10.028 -12.000 13.083 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -10.157 -10.234 13.257 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -11.288 -11.109 12.197 1.00 0.00 H new ATOM 193 N THR B 720 -8.488 -6.897 9.568 1.00 0.00 N ATOM 194 CA THR B 720 -8.716 -5.566 9.016 1.00 0.00 C ATOM 195 C THR B 720 -7.982 -5.402 7.689 1.00 0.00 C ATOM 196 O THR B 720 -8.563 -4.953 6.702 1.00 0.00 O ATOM 197 CB THR B 720 -8.223 -4.507 10.005 1.00 0.00 C ATOM 198 OG1 THR B 720 -8.958 -4.612 11.216 1.00 0.00 O ATOM 199 CG2 THR B 720 -8.421 -3.114 9.403 1.00 0.00 C ATOM 0 H THR B 720 -8.036 -6.908 10.482 1.00 0.00 H new ATOM 0 HA THR B 720 -9.785 -5.440 8.844 1.00 0.00 H new ATOM 0 HB THR B 720 -7.164 -4.665 10.209 1.00 0.00 H new ATOM 0 HG1 THR B 720 -8.684 -5.422 11.696 1.00 0.00 H new ATOM 0 HG21 THR B 720 -8.070 -2.360 10.107 1.00 0.00 H new ATOM 0 HG22 THR B 720 -7.855 -3.035 8.475 1.00 0.00 H new ATOM 0 HG23 THR B 720 -9.479 -2.954 9.197 1.00 0.00 H new ATOM 207 N ILE B 721 -6.709 -5.779 7.669 1.00 0.00 N ATOM 208 CA ILE B 721 -5.910 -5.679 6.452 1.00 0.00 C ATOM 209 C ILE B 721 -6.429 -6.637 5.386 1.00 0.00 C ATOM 210 O ILE B 721 -6.543 -6.276 4.215 1.00 0.00 O ATOM 211 CB ILE B 721 -4.445 -5.990 6.759 1.00 0.00 C ATOM 212 CG1 ILE B 721 -3.947 -5.059 7.867 1.00 0.00 C ATOM 213 CG2 ILE B 721 -3.603 -5.783 5.499 1.00 0.00 C ATOM 214 CD1 ILE B 721 -2.595 -5.554 8.381 1.00 0.00 C ATOM 0 H ILE B 721 -6.210 -6.154 8.475 1.00 0.00 H new ATOM 0 HA ILE B 721 -5.989 -4.660 6.072 1.00 0.00 H new ATOM 0 HB ILE B 721 -4.355 -7.025 7.088 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -3.853 -4.042 7.487 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -4.669 -5.029 8.683 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -2.559 -6.005 5.719 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -3.957 -6.448 4.711 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -3.692 -4.748 5.168 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -2.241 -4.891 9.170 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -2.704 -6.564 8.777 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -1.875 -5.561 7.563 1.00 0.00 H new ATOM 226 N HIS B 722 -6.742 -7.859 5.801 1.00 0.00 N ATOM 227 CA HIS B 722 -7.249 -8.866 4.878 1.00 0.00 C ATOM 228 C HIS B 722 -8.572 -8.417 4.267 1.00 0.00 C ATOM 229 O HIS B 722 -8.864 -8.712 3.108 1.00 0.00 O ATOM 230 CB HIS B 722 -7.445 -10.196 5.606 1.00 0.00 C ATOM 231 CG HIS B 722 -7.906 -11.241 4.627 1.00 0.00 C ATOM 232 ND1 HIS B 722 -9.248 -11.454 4.352 1.00 0.00 N ATOM 233 CD2 HIS B 722 -7.217 -12.139 3.850 1.00 0.00 C ATOM 234 CE1 HIS B 722 -9.323 -12.445 3.446 1.00 0.00 C ATOM 235 NE2 HIS B 722 -8.114 -12.898 3.105 1.00 0.00 N ATOM 0 H HIS B 722 -6.654 -8.175 6.767 1.00 0.00 H new ATOM 0 HA HIS B 722 -6.519 -8.996 4.079 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -6.511 -10.508 6.074 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -8.179 -10.081 6.404 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -6.142 -12.241 3.821 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -10.249 -12.828 3.043 1.00 0.00 H new ATOM 0 HE2 HIS B 722 -7.895 -13.641 2.441 1.00 0.00 H new ATOM 244 N ASP B 723 -9.373 -7.709 5.057 1.00 0.00 N ATOM 245 CA ASP B 723 -10.668 -7.232 4.585 1.00 0.00 C ATOM 246 C ASP B 723 -10.485 -6.146 3.528 1.00 0.00 C ATOM 247 O ASP B 723 -11.254 -6.064 2.569 1.00 0.00 O ATOM 248 CB ASP B 723 -11.474 -6.671 5.758 1.00 0.00 C ATOM 249 CG ASP B 723 -12.838 -6.188 5.273 1.00 0.00 C ATOM 250 OD1 ASP B 723 -13.065 -6.224 4.075 1.00 0.00 O ATOM 251 OD2 ASP B 723 -13.635 -5.794 6.106 1.00 0.00 O ATOM 0 H ASP B 723 -9.151 -7.454 6.019 1.00 0.00 H new ATOM 0 HA ASP B 723 -11.205 -8.070 4.141 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -11.602 -7.438 6.522 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -10.931 -5.847 6.221 1.00 0.00 H new ATOM 256 N ARG B 724 -9.464 -5.317 3.706 1.00 0.00 N ATOM 257 CA ARG B 724 -9.193 -4.245 2.756 1.00 0.00 C ATOM 258 C ARG B 724 -8.765 -4.815 1.408 1.00 0.00 C ATOM 259 O ARG B 724 -7.635 -5.275 1.246 1.00 0.00 O ATOM 260 CB ARG B 724 -8.090 -3.333 3.299 1.00 0.00 C ATOM 261 CG ARG B 724 -8.635 -2.515 4.473 1.00 0.00 C ATOM 262 CD ARG B 724 -7.514 -1.655 5.060 1.00 0.00 C ATOM 263 NE ARG B 724 -8.019 -0.857 6.170 1.00 0.00 N ATOM 264 CZ ARG B 724 -7.213 -0.072 6.876 1.00 0.00 C ATOM 265 NH1 ARG B 724 -5.943 -0.006 6.579 1.00 0.00 N ATOM 266 NH2 ARG B 724 -7.688 0.633 7.866 1.00 0.00 N ATOM 0 H ARG B 724 -8.815 -5.365 4.492 1.00 0.00 H new ATOM 0 HA ARG B 724 -10.108 -3.669 2.619 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -7.237 -3.929 3.623 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -7.734 -2.668 2.513 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -9.456 -1.882 4.138 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -9.036 -3.180 5.238 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -6.699 -2.292 5.402 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -7.106 -1.001 4.289 1.00 0.00 H new ATOM 0 HE ARG B 724 -9.010 -0.902 6.409 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -5.571 -0.557 5.805 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -5.323 0.597 7.121 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -8.680 0.582 8.099 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -7.068 1.235 8.407 1.00 0.00 H new ATOM 280 N LYS B 725 -9.676 -4.777 0.442 1.00 0.00 N ATOM 281 CA LYS B 725 -9.385 -5.288 -0.893 1.00 0.00 C ATOM 282 C LYS B 725 -8.271 -4.479 -1.546 1.00 0.00 C ATOM 283 O LYS B 725 -7.453 -5.020 -2.290 1.00 0.00 O ATOM 284 CB LYS B 725 -10.643 -5.231 -1.765 1.00 0.00 C ATOM 285 CG LYS B 725 -11.671 -6.239 -1.244 1.00 0.00 C ATOM 286 CD LYS B 725 -12.923 -6.189 -2.123 1.00 0.00 C ATOM 287 CE LYS B 725 -13.953 -7.193 -1.601 1.00 0.00 C ATOM 288 NZ LYS B 725 -15.170 -7.149 -2.461 1.00 0.00 N ATOM 0 H LYS B 725 -10.617 -4.400 0.557 1.00 0.00 H new ATOM 0 HA LYS B 725 -9.058 -6.324 -0.800 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -11.064 -4.226 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -10.391 -5.455 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -11.248 -7.243 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -11.930 -6.010 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -13.344 -5.184 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -12.665 -6.421 -3.156 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -13.530 -8.198 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -14.215 -6.958 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -15.870 -7.831 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -15.577 -6.192 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -14.913 -7.393 -3.439 1.00 0.00 H new ATOM 302 N GLU B 726 -8.246 -3.182 -1.265 1.00 0.00 N ATOM 303 CA GLU B 726 -7.228 -2.309 -1.836 1.00 0.00 C ATOM 304 C GLU B 726 -5.835 -2.798 -1.456 1.00 0.00 C ATOM 305 O GLU B 726 -4.902 -2.721 -2.256 1.00 0.00 O ATOM 306 CB GLU B 726 -7.426 -0.879 -1.325 1.00 0.00 C ATOM 307 CG GLU B 726 -8.755 -0.323 -1.843 1.00 0.00 C ATOM 308 CD GLU B 726 -8.696 -0.157 -3.358 1.00 0.00 C ATOM 309 OE1 GLU B 726 -7.597 -0.096 -3.883 1.00 0.00 O ATOM 310 OE2 GLU B 726 -9.750 -0.092 -3.969 1.00 0.00 O ATOM 0 H GLU B 726 -8.913 -2.715 -0.651 1.00 0.00 H new ATOM 0 HA GLU B 726 -7.324 -2.325 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -7.417 -0.868 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -6.603 -0.247 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -9.570 -0.996 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -8.965 0.637 -1.372 1.00 0.00 H new ATOM 317 N PHE B 727 -5.701 -3.304 -0.235 1.00 0.00 N ATOM 318 CA PHE B 727 -4.414 -3.807 0.231 1.00 0.00 C ATOM 319 C PHE B 727 -3.938 -4.961 -0.650 1.00 0.00 C ATOM 320 O PHE B 727 -2.789 -4.986 -1.086 1.00 0.00 O ATOM 321 CB PHE B 727 -4.539 -4.284 1.678 1.00 0.00 C ATOM 322 CG PHE B 727 -3.198 -4.788 2.160 1.00 0.00 C ATOM 323 CD1 PHE B 727 -2.170 -3.879 2.441 1.00 0.00 C ATOM 324 CD2 PHE B 727 -2.980 -6.161 2.328 1.00 0.00 C ATOM 325 CE1 PHE B 727 -0.927 -4.342 2.887 1.00 0.00 C ATOM 326 CE2 PHE B 727 -1.738 -6.625 2.774 1.00 0.00 C ATOM 327 CZ PHE B 727 -0.711 -5.715 3.054 1.00 0.00 C ATOM 0 H PHE B 727 -6.459 -3.377 0.444 1.00 0.00 H new ATOM 0 HA PHE B 727 -3.684 -2.999 0.175 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -4.882 -3.467 2.313 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -5.284 -5.077 1.748 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -2.337 -2.820 2.313 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -3.772 -6.863 2.113 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -0.135 -3.640 3.102 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -1.571 -7.684 2.902 1.00 0.00 H new ATOM 0 HZ PHE B 727 0.248 -6.073 3.399 1.00 0.00 H new ATOM 337 N ALA B 728 -4.833 -5.913 -0.911 1.00 0.00 N ATOM 338 CA ALA B 728 -4.496 -7.059 -1.742 1.00 0.00 C ATOM 339 C ALA B 728 -4.242 -6.619 -3.177 1.00 0.00 C ATOM 340 O ALA B 728 -3.331 -7.117 -3.837 1.00 0.00 O ATOM 341 CB ALA B 728 -5.635 -8.081 -1.708 1.00 0.00 C ATOM 0 H ALA B 728 -5.791 -5.910 -0.560 1.00 0.00 H new ATOM 0 HA ALA B 728 -3.588 -7.518 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -5.375 -8.936 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -5.793 -8.415 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -6.548 -7.621 -2.085 1.00 0.00 H new ATOM 347 N LYS B 729 -5.053 -5.683 -3.658 1.00 0.00 N ATOM 348 CA LYS B 729 -4.906 -5.188 -5.020 1.00 0.00 C ATOM 349 C LYS B 729 -3.547 -4.530 -5.210 1.00 0.00 C ATOM 350 O LYS B 729 -2.885 -4.741 -6.226 1.00 0.00 O ATOM 351 CB LYS B 729 -6.016 -4.180 -5.323 1.00 0.00 C ATOM 352 CG LYS B 729 -7.380 -4.891 -5.353 1.00 0.00 C ATOM 353 CD LYS B 729 -7.616 -5.532 -6.727 1.00 0.00 C ATOM 354 CE LYS B 729 -8.988 -6.198 -6.751 1.00 0.00 C ATOM 355 NZ LYS B 729 -9.218 -6.790 -8.097 1.00 0.00 N ATOM 0 H LYS B 729 -5.813 -5.255 -3.129 1.00 0.00 H new ATOM 0 HA LYS B 729 -4.981 -6.031 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -6.022 -3.396 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -5.828 -3.697 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -7.417 -5.655 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -8.175 -4.177 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -7.554 -4.775 -7.508 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -6.839 -6.268 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -9.044 -6.972 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -9.765 -5.468 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -10.152 -7.246 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -9.180 -6.040 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -8.482 -7.498 -8.295 1.00 0.00 H new ATOM 369 N PHE B 730 -3.130 -3.744 -4.226 1.00 0.00 N ATOM 370 CA PHE B 730 -1.847 -3.068 -4.294 1.00 0.00 C ATOM 371 C PHE B 730 -0.720 -4.086 -4.419 1.00 0.00 C ATOM 372 O PHE B 730 0.198 -3.914 -5.220 1.00 0.00 O ATOM 373 CB PHE B 730 -1.641 -2.221 -3.040 1.00 0.00 C ATOM 374 CG PHE B 730 -0.297 -1.537 -3.113 1.00 0.00 C ATOM 375 CD1 PHE B 730 -0.115 -0.446 -3.970 1.00 0.00 C ATOM 376 CD2 PHE B 730 0.765 -1.994 -2.325 1.00 0.00 C ATOM 377 CE1 PHE B 730 1.129 0.187 -4.039 1.00 0.00 C ATOM 378 CE2 PHE B 730 2.009 -1.360 -2.395 1.00 0.00 C ATOM 379 CZ PHE B 730 2.194 -0.269 -3.251 1.00 0.00 C ATOM 0 H PHE B 730 -3.662 -3.561 -3.375 1.00 0.00 H new ATOM 0 HA PHE B 730 -1.837 -2.421 -5.171 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -2.435 -1.479 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -1.694 -2.849 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -0.935 -0.093 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE B 730 0.624 -2.836 -1.663 1.00 0.00 H new ATOM 0 HE1 PHE B 730 1.270 1.029 -4.701 1.00 0.00 H new ATOM 0 HE2 PHE B 730 2.829 -1.713 -1.787 1.00 0.00 H new ATOM 0 HZ PHE B 730 3.155 0.220 -3.304 1.00 0.00 H new ATOM 389 N GLU B 731 -0.795 -5.147 -3.621 1.00 0.00 N ATOM 390 CA GLU B 731 0.226 -6.187 -3.654 1.00 0.00 C ATOM 391 C GLU B 731 0.291 -6.838 -5.032 1.00 0.00 C ATOM 392 O GLU B 731 1.376 -7.037 -5.580 1.00 0.00 O ATOM 393 CB GLU B 731 -0.080 -7.251 -2.595 1.00 0.00 C ATOM 394 CG GLU B 731 0.205 -6.688 -1.203 1.00 0.00 C ATOM 395 CD GLU B 731 -0.137 -7.729 -0.143 1.00 0.00 C ATOM 396 OE1 GLU B 731 -0.555 -8.813 -0.517 1.00 0.00 O ATOM 397 OE2 GLU B 731 0.030 -7.430 1.027 1.00 0.00 O ATOM 0 H GLU B 731 -1.546 -5.308 -2.949 1.00 0.00 H new ATOM 0 HA GLU B 731 1.191 -5.728 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -1.123 -7.560 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU B 731 0.528 -8.138 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU B 731 1.255 -6.406 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -0.381 -5.784 -1.040 1.00 0.00 H new ATOM 404 N GLU B 732 -0.871 -7.166 -5.588 1.00 0.00 N ATOM 405 CA GLU B 732 -0.928 -7.791 -6.899 1.00 0.00 C ATOM 406 C GLU B 732 -0.422 -6.832 -7.973 1.00 0.00 C ATOM 407 O GLU B 732 0.317 -7.227 -8.873 1.00 0.00 O ATOM 408 CB GLU B 732 -2.365 -8.201 -7.218 1.00 0.00 C ATOM 409 CG GLU B 732 -2.811 -9.290 -6.243 1.00 0.00 C ATOM 410 CD GLU B 732 -4.239 -9.724 -6.562 1.00 0.00 C ATOM 411 OE1 GLU B 732 -4.799 -9.195 -7.507 1.00 0.00 O ATOM 412 OE2 GLU B 732 -4.750 -10.579 -5.856 1.00 0.00 O ATOM 0 H GLU B 732 -1.780 -7.009 -5.152 1.00 0.00 H new ATOM 0 HA GLU B 732 -0.291 -8.675 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU B 732 -3.026 -7.338 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU B 732 -2.432 -8.566 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU B 732 -2.139 -10.146 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU B 732 -2.755 -8.919 -5.220 1.00 0.00 H new ATOM 419 N GLU B 733 -0.821 -5.568 -7.865 1.00 0.00 N ATOM 420 CA GLU B 733 -0.393 -4.559 -8.827 1.00 0.00 C ATOM 421 C GLU B 733 1.110 -4.315 -8.716 1.00 0.00 C ATOM 422 O GLU B 733 1.788 -4.124 -9.723 1.00 0.00 O ATOM 423 CB GLU B 733 -1.149 -3.249 -8.585 1.00 0.00 C ATOM 424 CG GLU B 733 -2.607 -3.407 -9.019 1.00 0.00 C ATOM 425 CD GLU B 733 -3.388 -2.137 -8.693 1.00 0.00 C ATOM 426 OE1 GLU B 733 -2.780 -1.203 -8.200 1.00 0.00 O ATOM 427 OE2 GLU B 733 -4.583 -2.121 -8.940 1.00 0.00 O ATOM 0 H GLU B 733 -1.434 -5.221 -7.128 1.00 0.00 H new ATOM 0 HA GLU B 733 -0.615 -4.923 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -1.101 -2.980 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -0.679 -2.439 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -2.657 -3.610 -10.089 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -3.056 -4.261 -8.511 1.00 0.00 H new ATOM 434 N ARG B 734 1.630 -4.318 -7.491 1.00 0.00 N ATOM 435 CA ARG B 734 3.046 -4.095 -7.278 1.00 0.00 C ATOM 436 C ARG B 734 3.864 -5.186 -7.958 1.00 0.00 C ATOM 437 O ARG B 734 4.891 -4.911 -8.577 1.00 0.00 O ATOM 438 CB ARG B 734 3.340 -4.088 -5.782 1.00 0.00 C ATOM 439 CG ARG B 734 4.810 -3.751 -5.554 1.00 0.00 C ATOM 440 CD ARG B 734 5.078 -3.636 -4.058 1.00 0.00 C ATOM 441 NE ARG B 734 4.918 -4.931 -3.407 1.00 0.00 N ATOM 442 CZ ARG B 734 5.015 -5.054 -2.086 1.00 0.00 C ATOM 443 NH1 ARG B 734 5.260 -4.007 -1.346 1.00 0.00 N ATOM 444 NH2 ARG B 734 4.866 -6.225 -1.529 1.00 0.00 N ATOM 0 H ARG B 734 1.091 -4.472 -6.639 1.00 0.00 H new ATOM 0 HA ARG B 734 3.321 -3.133 -7.710 1.00 0.00 H new ATOM 0 HB2 ARG B 734 2.706 -3.357 -5.279 1.00 0.00 H new ATOM 0 HB3 ARG B 734 3.108 -5.062 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG B 734 5.443 -4.524 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG B 734 5.061 -2.815 -6.052 1.00 0.00 H new ATOM 0 HD2 ARG B 734 6.088 -3.262 -3.892 1.00 0.00 H new ATOM 0 HD3 ARG B 734 4.393 -2.913 -3.615 1.00 0.00 H new ATOM 0 HE ARG B 734 4.728 -5.757 -3.975 1.00 0.00 H new ATOM 0 HH11 ARG B 734 5.378 -3.092 -1.780 1.00 0.00 H new ATOM 0 HH12 ARG B 734 5.334 -4.104 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG B 734 4.676 -7.044 -2.106 1.00 0.00 H new ATOM 0 HH22 ARG B 734 4.940 -6.321 -0.516 1.00 0.00 H new ATOM 458 N ALA B 735 3.406 -6.425 -7.828 1.00 0.00 N ATOM 459 CA ALA B 735 4.107 -7.556 -8.431 1.00 0.00 C ATOM 460 C ALA B 735 4.089 -7.460 -9.954 1.00 0.00 C ATOM 461 O ALA B 735 5.083 -7.760 -10.614 1.00 0.00 O ATOM 462 CB ALA B 735 3.456 -8.869 -7.999 1.00 0.00 C ATOM 0 H ALA B 735 2.560 -6.673 -7.315 1.00 0.00 H new ATOM 0 HA ALA B 735 5.142 -7.531 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA B 735 3.987 -9.705 -8.454 1.00 0.00 H new ATOM 0 HB2 ALA B 735 3.502 -8.958 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA B 735 2.415 -8.882 -8.320 1.00 0.00 H new ATOM 468 N ARG B 736 2.956 -7.045 -10.511 1.00 0.00 N ATOM 469 CA ARG B 736 2.831 -6.923 -11.947 1.00 0.00 C ATOM 470 C ARG B 736 3.692 -5.767 -12.457 1.00 0.00 C ATOM 471 O ARG B 736 4.217 -5.811 -13.566 1.00 0.00 O ATOM 472 CB ARG B 736 1.335 -6.698 -12.312 1.00 0.00 C ATOM 473 CG ARG B 736 1.080 -5.246 -12.754 1.00 0.00 C ATOM 474 CD ARG B 736 -0.389 -5.033 -13.048 1.00 0.00 C ATOM 475 NE ARG B 736 -0.580 -3.683 -13.566 1.00 0.00 N ATOM 476 CZ ARG B 736 -0.472 -2.620 -12.776 1.00 0.00 C ATOM 477 NH1 ARG B 736 -0.170 -2.771 -11.516 1.00 0.00 N ATOM 478 NH2 ARG B 736 -0.656 -1.424 -13.264 1.00 0.00 N ATOM 0 H ARG B 736 2.119 -6.790 -9.987 1.00 0.00 H new ATOM 0 HA ARG B 736 3.181 -7.839 -12.423 1.00 0.00 H new ATOM 0 HB2 ARG B 736 1.047 -7.380 -13.112 1.00 0.00 H new ATOM 0 HB3 ARG B 736 0.709 -6.934 -11.451 1.00 0.00 H new ATOM 0 HG2 ARG B 736 1.404 -4.559 -11.972 1.00 0.00 H new ATOM 0 HG3 ARG B 736 1.671 -5.020 -13.641 1.00 0.00 H new ATOM 0 HD2 ARG B 736 -0.738 -5.767 -13.774 1.00 0.00 H new ATOM 0 HD3 ARG B 736 -0.978 -5.175 -12.142 1.00 0.00 H new ATOM 0 HE ARG B 736 -0.801 -3.552 -14.553 1.00 0.00 H new ATOM 0 HH11 ARG B 736 -0.017 -3.705 -11.137 1.00 0.00 H new ATOM 0 HH12 ARG B 736 -0.087 -1.955 -10.910 1.00 0.00 H new ATOM 0 HH21 ARG B 736 -0.883 -1.305 -14.251 1.00 0.00 H new ATOM 0 HH22 ARG B 736 -0.573 -0.608 -12.658 1.00 0.00 H new ATOM 598 N ASN B 744 11.239 2.712 -12.550 1.00 0.00 N ATOM 599 CA ASN B 744 12.097 3.778 -13.021 1.00 0.00 C ATOM 600 C ASN B 744 12.276 4.847 -11.929 1.00 0.00 C ATOM 601 O ASN B 744 11.307 5.264 -11.296 1.00 0.00 O ATOM 602 CB ASN B 744 11.511 4.428 -14.280 1.00 0.00 C ATOM 603 CG ASN B 744 12.624 5.110 -15.082 1.00 0.00 C ATOM 604 OD1 ASN B 744 12.719 6.338 -15.101 1.00 0.00 O ATOM 605 ND2 ASN B 744 13.476 4.378 -15.751 1.00 0.00 N ATOM 0 HA ASN B 744 13.068 3.346 -13.263 1.00 0.00 H new ATOM 0 HB2 ASN B 744 11.019 3.674 -14.894 1.00 0.00 H new ATOM 0 HB3 ASN B 744 10.751 5.158 -14.002 1.00 0.00 H new ATOM 0 HD21 ASN B 744 14.219 4.824 -16.289 1.00 0.00 H new ATOM 0 HD22 ASN B 744 13.397 3.361 -15.735 1.00 0.00 H new ATOM 612 N PRO B 745 13.479 5.308 -11.697 1.00 0.00 N ATOM 613 CA PRO B 745 13.757 6.352 -10.670 1.00 0.00 C ATOM 614 C PRO B 745 12.775 7.513 -10.738 1.00 0.00 C ATOM 615 O PRO B 745 12.399 8.095 -9.719 1.00 0.00 O ATOM 616 CB PRO B 745 15.184 6.820 -11.010 1.00 0.00 C ATOM 617 CG PRO B 745 15.830 5.671 -11.716 1.00 0.00 C ATOM 618 CD PRO B 745 14.706 4.871 -12.372 1.00 0.00 C ATOM 0 HA PRO B 745 13.656 5.963 -9.657 1.00 0.00 H new ATOM 0 HB2 PRO B 745 15.165 7.707 -11.643 1.00 0.00 H new ATOM 0 HB3 PRO B 745 15.735 7.084 -10.107 1.00 0.00 H new ATOM 0 HG2 PRO B 745 16.540 6.026 -12.463 1.00 0.00 H new ATOM 0 HG3 PRO B 745 16.388 5.051 -11.015 1.00 0.00 H new ATOM 0 HD2 PRO B 745 14.657 5.066 -13.443 1.00 0.00 H new ATOM 0 HD3 PRO B 745 14.862 3.799 -12.250 1.00 0.00 H new ATOM 626 N LEU B 746 12.372 7.842 -11.940 1.00 0.00 N ATOM 627 CA LEU B 746 11.434 8.942 -12.145 1.00 0.00 C ATOM 628 C LEU B 746 10.112 8.649 -11.452 1.00 0.00 C ATOM 629 O LEU B 746 9.422 9.563 -10.997 1.00 0.00 O ATOM 630 CB LEU B 746 11.199 9.163 -13.647 1.00 0.00 C ATOM 631 CG LEU B 746 12.353 9.989 -14.241 1.00 0.00 C ATOM 632 CD1 LEU B 746 12.323 11.444 -13.699 1.00 0.00 C ATOM 633 CD2 LEU B 746 13.686 9.321 -13.871 1.00 0.00 C ATOM 0 H LEU B 746 12.671 7.372 -12.795 1.00 0.00 H new ATOM 0 HA LEU B 746 11.862 9.847 -11.714 1.00 0.00 H new ATOM 0 HB2 LEU B 746 11.127 8.203 -14.158 1.00 0.00 H new ATOM 0 HB3 LEU B 746 10.252 9.680 -13.804 1.00 0.00 H new ATOM 0 HG LEU B 746 12.244 10.028 -15.325 1.00 0.00 H new ATOM 0 HD11 LEU B 746 13.148 12.011 -14.132 1.00 0.00 H new ATOM 0 HD12 LEU B 746 11.378 11.914 -13.971 1.00 0.00 H new ATOM 0 HD13 LEU B 746 12.423 11.430 -12.614 1.00 0.00 H new ATOM 0 HD21 LEU B 746 14.511 9.899 -14.288 1.00 0.00 H new ATOM 0 HD22 LEU B 746 13.783 9.280 -12.786 1.00 0.00 H new ATOM 0 HD23 LEU B 746 13.711 8.309 -14.276 1.00 0.00 H new ATOM 645 N TYR B 747 9.761 7.377 -11.386 1.00 0.00 N ATOM 646 CA TYR B 747 8.510 6.980 -10.755 1.00 0.00 C ATOM 647 C TYR B 747 8.502 7.372 -9.282 1.00 0.00 C ATOM 648 O TYR B 747 7.526 7.925 -8.778 1.00 0.00 O ATOM 649 CB TYR B 747 8.324 5.471 -10.884 1.00 0.00 C ATOM 650 CG TYR B 747 7.035 5.060 -10.213 1.00 0.00 C ATOM 651 CD1 TYR B 747 5.811 5.263 -10.862 1.00 0.00 C ATOM 652 CD2 TYR B 747 7.062 4.478 -8.940 1.00 0.00 C ATOM 653 CE1 TYR B 747 4.617 4.884 -10.240 1.00 0.00 C ATOM 654 CE2 TYR B 747 5.868 4.098 -8.317 1.00 0.00 C ATOM 655 CZ TYR B 747 4.645 4.301 -8.967 1.00 0.00 C ATOM 656 OH TYR B 747 3.468 3.927 -8.352 1.00 0.00 O ATOM 0 H TYR B 747 10.317 6.606 -11.757 1.00 0.00 H new ATOM 0 HA TYR B 747 7.691 7.494 -11.257 1.00 0.00 H new ATOM 0 HB2 TYR B 747 8.305 5.185 -11.936 1.00 0.00 H new ATOM 0 HB3 TYR B 747 9.166 4.950 -10.427 1.00 0.00 H new ATOM 0 HD1 TYR B 747 5.789 5.713 -11.844 1.00 0.00 H new ATOM 0 HD2 TYR B 747 8.006 4.322 -8.438 1.00 0.00 H new ATOM 0 HE1 TYR B 747 3.673 5.041 -10.741 1.00 0.00 H new ATOM 0 HE2 TYR B 747 5.890 3.648 -7.335 1.00 0.00 H new ATOM 0 HH TYR B 747 3.667 3.538 -7.475 1.00 0.00 H new ATOM 666 N LYS B 748 9.599 7.078 -8.603 1.00 0.00 N ATOM 667 CA LYS B 748 9.716 7.400 -7.180 1.00 0.00 C ATOM 668 C LYS B 748 9.673 8.909 -6.972 1.00 0.00 C ATOM 669 O LYS B 748 9.023 9.403 -6.051 1.00 0.00 O ATOM 670 CB LYS B 748 11.029 6.847 -6.620 1.00 0.00 C ATOM 671 CG LYS B 748 11.014 5.324 -6.708 1.00 0.00 C ATOM 672 CD LYS B 748 12.332 4.764 -6.166 1.00 0.00 C ATOM 673 CE LYS B 748 12.350 3.241 -6.324 1.00 0.00 C ATOM 674 NZ LYS B 748 11.326 2.636 -5.427 1.00 0.00 N ATOM 0 H LYS B 748 10.418 6.621 -9.005 1.00 0.00 H new ATOM 0 HA LYS B 748 8.878 6.943 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS B 748 11.874 7.247 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS B 748 11.157 7.161 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS B 748 10.176 4.925 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS B 748 10.872 5.011 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS B 748 13.173 5.205 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS B 748 12.447 5.032 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS B 748 12.147 2.970 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS B 748 13.338 2.851 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 11.502 1.615 -5.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 11.381 3.080 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 10.379 2.790 -5.828 1.00 0.00 H new ATOM 688 N GLU B 749 10.370 9.635 -7.836 1.00 0.00 N ATOM 689 CA GLU B 749 10.408 11.093 -7.739 1.00 0.00 C ATOM 690 C GLU B 749 9.009 11.677 -7.892 1.00 0.00 C ATOM 691 O GLU B 749 8.639 12.627 -7.201 1.00 0.00 O ATOM 692 CB GLU B 749 11.323 11.669 -8.822 1.00 0.00 C ATOM 693 CG GLU B 749 12.773 11.272 -8.534 1.00 0.00 C ATOM 694 CD GLU B 749 13.684 11.778 -9.646 1.00 0.00 C ATOM 695 OE1 GLU B 749 13.174 12.388 -10.573 1.00 0.00 O ATOM 696 OE2 GLU B 749 14.879 11.548 -9.558 1.00 0.00 O ATOM 0 H GLU B 749 10.913 9.245 -8.606 1.00 0.00 H new ATOM 0 HA GLU B 749 10.797 11.360 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU B 749 11.022 11.298 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU B 749 11.231 12.755 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU B 749 13.089 11.687 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU B 749 12.852 10.188 -8.453 1.00 0.00 H new ATOM 703 N ALA B 750 8.235 11.099 -8.798 1.00 0.00 N ATOM 704 CA ALA B 750 6.871 11.562 -9.037 1.00 0.00 C ATOM 705 C ALA B 750 5.999 11.314 -7.810 1.00 0.00 C ATOM 706 O ALA B 750 5.131 12.122 -7.480 1.00 0.00 O ATOM 707 CB ALA B 750 6.274 10.842 -10.247 1.00 0.00 C ATOM 0 H ALA B 750 8.524 10.312 -9.379 1.00 0.00 H new ATOM 0 HA ALA B 750 6.902 12.633 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA B 750 5.257 11.196 -10.415 1.00 0.00 H new ATOM 0 HB2 ALA B 750 6.880 11.048 -11.129 1.00 0.00 H new ATOM 0 HB3 ALA B 750 6.259 9.768 -10.060 1.00 0.00 H new ATOM 713 N THR B 751 6.236 10.190 -7.141 1.00 0.00 N ATOM 714 CA THR B 751 5.466 9.843 -5.953 1.00 0.00 C ATOM 715 C THR B 751 5.674 10.880 -4.854 1.00 0.00 C ATOM 716 O THR B 751 4.720 11.322 -4.214 1.00 0.00 O ATOM 717 CB THR B 751 5.885 8.465 -5.443 1.00 0.00 C ATOM 718 OG1 THR B 751 5.590 7.486 -6.429 1.00 0.00 O ATOM 719 CG2 THR B 751 5.127 8.140 -4.156 1.00 0.00 C ATOM 0 H THR B 751 6.950 9.509 -7.399 1.00 0.00 H new ATOM 0 HA THR B 751 4.410 9.825 -6.222 1.00 0.00 H new ATOM 0 HB THR B 751 6.956 8.465 -5.239 1.00 0.00 H new ATOM 0 HG1 THR B 751 6.212 7.581 -7.180 1.00 0.00 H new ATOM 0 HG21 THR B 751 5.428 7.157 -3.795 1.00 0.00 H new ATOM 0 HG22 THR B 751 5.356 8.890 -3.399 1.00 0.00 H new ATOM 0 HG23 THR B 751 4.055 8.141 -4.355 1.00 0.00 H new ATOM 727 N SER B 752 6.927 11.265 -4.644 1.00 0.00 N ATOM 728 CA SER B 752 7.254 12.252 -3.622 1.00 0.00 C ATOM 729 C SER B 752 6.574 13.582 -3.927 1.00 0.00 C ATOM 730 O SER B 752 6.140 14.292 -3.020 1.00 0.00 O ATOM 731 CB SER B 752 8.770 12.449 -3.548 1.00 0.00 C ATOM 732 OG SER B 752 9.070 13.383 -2.519 1.00 0.00 O ATOM 0 H SER B 752 7.730 10.911 -5.165 1.00 0.00 H new ATOM 0 HA SER B 752 6.893 11.887 -2.661 1.00 0.00 H new ATOM 0 HB2 SER B 752 9.263 11.498 -3.347 1.00 0.00 H new ATOM 0 HB3 SER B 752 9.149 12.809 -4.504 1.00 0.00 H new ATOM 0 HG SER B 752 10.040 13.512 -2.467 1.00 0.00 H new ATOM 738 N THR B 753 6.490 13.911 -5.209 1.00 0.00 N ATOM 739 CA THR B 753 5.865 15.161 -5.629 1.00 0.00 C ATOM 740 C THR B 753 4.390 15.179 -5.248 1.00 0.00 C ATOM 741 O THR B 753 3.884 16.176 -4.739 1.00 0.00 O ATOM 742 CB THR B 753 6.006 15.338 -7.142 1.00 0.00 C ATOM 743 OG1 THR B 753 7.357 15.115 -7.519 1.00 0.00 O ATOM 744 CG2 THR B 753 5.596 16.760 -7.532 1.00 0.00 C ATOM 0 H THR B 753 6.844 13.335 -5.973 1.00 0.00 H new ATOM 0 HA THR B 753 6.370 15.983 -5.121 1.00 0.00 H new ATOM 0 HB THR B 753 5.362 14.623 -7.653 1.00 0.00 H new ATOM 0 HG1 THR B 753 7.555 14.156 -7.473 1.00 0.00 H new ATOM 0 HG21 THR B 753 5.697 16.885 -8.610 1.00 0.00 H new ATOM 0 HG22 THR B 753 4.559 16.932 -7.242 1.00 0.00 H new ATOM 0 HG23 THR B 753 6.239 17.477 -7.022 1.00 0.00 H new ATOM 752 N PHE B 754 3.711 14.069 -5.493 1.00 0.00 N ATOM 753 CA PHE B 754 2.288 13.958 -5.175 1.00 0.00 C ATOM 754 C PHE B 754 2.056 14.189 -3.688 1.00 0.00 C ATOM 755 O PHE B 754 1.057 14.791 -3.291 1.00 0.00 O ATOM 756 CB PHE B 754 1.768 12.575 -5.567 1.00 0.00 C ATOM 757 CG PHE B 754 0.271 12.526 -5.365 1.00 0.00 C ATOM 758 CD1 PHE B 754 -0.584 13.118 -6.303 1.00 0.00 C ATOM 759 CD2 PHE B 754 -0.263 11.888 -4.238 1.00 0.00 C ATOM 760 CE1 PHE B 754 -1.971 13.072 -6.114 1.00 0.00 C ATOM 761 CE2 PHE B 754 -1.649 11.843 -4.049 1.00 0.00 C ATOM 762 CZ PHE B 754 -2.503 12.434 -4.987 1.00 0.00 C ATOM 0 H PHE B 754 4.117 13.232 -5.910 1.00 0.00 H new ATOM 0 HA PHE B 754 1.748 14.718 -5.740 1.00 0.00 H new ATOM 0 HB2 PHE B 754 2.013 12.364 -6.608 1.00 0.00 H new ATOM 0 HB3 PHE B 754 2.253 11.808 -4.964 1.00 0.00 H new ATOM 0 HD1 PHE B 754 -0.174 13.610 -7.172 1.00 0.00 H new ATOM 0 HD2 PHE B 754 0.395 11.430 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE B 754 -2.630 13.529 -6.838 1.00 0.00 H new ATOM 0 HE2 PHE B 754 -2.060 11.352 -3.179 1.00 0.00 H new ATOM 0 HZ PHE B 754 -3.573 12.398 -4.842 1.00 0.00 H new ATOM 772 N THR B 755 2.980 13.706 -2.872 1.00 0.00 N ATOM 773 CA THR B 755 2.868 13.863 -1.426 1.00 0.00 C ATOM 774 C THR B 755 2.770 15.341 -1.057 1.00 0.00 C ATOM 775 O THR B 755 1.987 15.725 -0.190 1.00 0.00 O ATOM 776 CB THR B 755 4.081 13.242 -0.731 1.00 0.00 C ATOM 777 OG1 THR B 755 4.303 11.939 -1.250 1.00 0.00 O ATOM 778 CG2 THR B 755 3.822 13.157 0.775 1.00 0.00 C ATOM 0 H THR B 755 3.812 13.204 -3.182 1.00 0.00 H new ATOM 0 HA THR B 755 1.964 13.353 -1.095 1.00 0.00 H new ATOM 0 HB THR B 755 4.960 13.861 -0.910 1.00 0.00 H new ATOM 0 HG1 THR B 755 5.081 11.539 -0.808 1.00 0.00 H new ATOM 0 HG21 THR B 755 4.687 12.714 1.269 1.00 0.00 H new ATOM 0 HG22 THR B 755 3.650 14.158 1.172 1.00 0.00 H new ATOM 0 HG23 THR B 755 2.944 12.538 0.959 1.00 0.00 H new ATOM 786 N ASN B 756 3.575 16.160 -1.709 1.00 0.00 N ATOM 787 CA ASN B 756 3.568 17.593 -1.435 1.00 0.00 C ATOM 788 C ASN B 756 2.224 18.210 -1.820 1.00 0.00 C ATOM 789 O ASN B 756 1.645 18.983 -1.055 1.00 0.00 O ATOM 790 CB ASN B 756 4.685 18.281 -2.224 1.00 0.00 C ATOM 791 CG ASN B 756 4.662 19.784 -1.967 1.00 0.00 C ATOM 792 OD1 ASN B 756 3.893 20.511 -2.596 1.00 0.00 O ATOM 793 ND2 ASN B 756 5.468 20.296 -1.077 1.00 0.00 N ATOM 0 H ASN B 756 4.238 15.865 -2.426 1.00 0.00 H new ATOM 0 HA ASN B 756 3.730 17.737 -0.367 1.00 0.00 H new ATOM 0 HB2 ASN B 756 5.652 17.870 -1.934 1.00 0.00 H new ATOM 0 HB3 ASN B 756 4.562 18.085 -3.289 1.00 0.00 H new ATOM 0 HD21 ASN B 756 5.462 21.301 -0.901 1.00 0.00 H new ATOM 0 HD22 ASN B 756 6.104 19.691 -0.557 1.00 0.00 H new ATOM 800 N ILE B 757 1.741 17.879 -3.016 1.00 0.00 N ATOM 801 CA ILE B 757 0.473 18.426 -3.488 1.00 0.00 C ATOM 802 C ILE B 757 -0.688 17.906 -2.653 1.00 0.00 C ATOM 803 O ILE B 757 -1.539 18.667 -2.200 1.00 0.00 O ATOM 804 CB ILE B 757 0.255 18.038 -4.953 1.00 0.00 C ATOM 805 CG1 ILE B 757 1.522 18.372 -5.744 1.00 0.00 C ATOM 806 CG2 ILE B 757 -0.925 18.841 -5.521 1.00 0.00 C ATOM 807 CD1 ILE B 757 1.232 18.336 -7.256 1.00 0.00 C ATOM 0 H ILE B 757 2.202 17.244 -3.667 1.00 0.00 H new ATOM 0 HA ILE B 757 0.514 19.511 -3.393 1.00 0.00 H new ATOM 0 HB ILE B 757 0.038 16.972 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE B 757 1.887 19.359 -5.460 1.00 0.00 H new ATOM 0 HG13 ILE B 757 2.310 17.659 -5.501 1.00 0.00 H new ATOM 0 HG21 ILE B 757 -1.083 18.567 -6.564 1.00 0.00 H new ATOM 0 HG22 ILE B 757 -1.825 18.620 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE B 757 -0.705 19.907 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE B 757 2.142 18.575 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE B 757 0.889 17.340 -7.537 1.00 0.00 H new ATOM 0 HD13 ILE B 757 0.460 19.067 -7.496 1.00 0.00 H new ATOM 819 N THR B 758 -0.706 16.605 -2.459 1.00 0.00 N ATOM 820 CA THR B 758 -1.768 15.970 -1.676 1.00 0.00 C ATOM 821 C THR B 758 -1.672 16.386 -0.216 1.00 0.00 C ATOM 822 O THR B 758 -2.598 16.183 0.573 1.00 0.00 O ATOM 823 CB THR B 758 -1.677 14.437 -1.798 1.00 0.00 C ATOM 824 OG1 THR B 758 -2.985 13.881 -1.729 1.00 0.00 O ATOM 825 CG2 THR B 758 -0.813 13.846 -0.671 1.00 0.00 C ATOM 0 H THR B 758 -0.006 15.961 -2.826 1.00 0.00 H new ATOM 0 HA THR B 758 -2.731 16.297 -2.069 1.00 0.00 H new ATOM 0 HB THR B 758 -1.214 14.192 -2.754 1.00 0.00 H new ATOM 0 HG1 THR B 758 -3.059 13.138 -2.364 1.00 0.00 H new ATOM 0 HG21 THR B 758 -0.765 12.763 -0.780 1.00 0.00 H new ATOM 0 HG22 THR B 758 0.193 14.262 -0.728 1.00 0.00 H new ATOM 0 HG23 THR B 758 -1.254 14.094 0.294 1.00 0.00 H new