USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=11 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+ -164:sc= -0.0162 (180deg=-0.309) USER MOD Single : B 720 THR OG1 : rot 75:sc= 0.833 USER MOD Single : B 722 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.8!) USER MOD Single : B 725 LYS NZ :NH3+ 152:sc= -0.21 (180deg=-1.18) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN : amide:sc= -7.44! C(o=-7.4!,f=-23!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 751 THR OG1 : rot 180:sc= 0 USER MOD Single : B 752 SER OG : rot 96:sc= 1.15 USER MOD Single : B 753 THR OG1 : rot 68:sc= 0.611 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0 USER MOD Single : B 756 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.06) USER MOD Single : B 758 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -19.390 -1.900 10.458 1.00 0.00 N ATOM 13 CA PRO B 710 -18.615 -0.785 11.080 1.00 0.00 C ATOM 14 C PRO B 710 -17.171 -0.742 10.579 1.00 0.00 C ATOM 15 O PRO B 710 -16.601 -1.767 10.205 1.00 0.00 O ATOM 16 CB PRO B 710 -18.675 -1.084 12.596 1.00 0.00 C ATOM 17 CG PRO B 710 -19.817 -2.040 12.762 1.00 0.00 C ATOM 18 CD PRO B 710 -19.882 -2.846 11.468 1.00 0.00 C ATOM 0 HA PRO B 710 -19.029 0.191 10.827 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -17.741 -1.521 12.949 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -18.837 -0.172 13.171 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -19.658 -2.692 13.621 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -20.751 -1.506 12.936 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -19.260 -3.740 11.519 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -20.898 -3.176 11.250 1.00 0.00 H new ATOM 26 N GLU B 711 -16.590 0.451 10.575 1.00 0.00 N ATOM 27 CA GLU B 711 -15.217 0.616 10.122 1.00 0.00 C ATOM 28 C GLU B 711 -14.285 -0.315 10.891 1.00 0.00 C ATOM 29 O GLU B 711 -13.260 -0.751 10.367 1.00 0.00 O ATOM 30 CB GLU B 711 -14.769 2.065 10.325 1.00 0.00 C ATOM 31 CG GLU B 711 -15.546 2.978 9.375 1.00 0.00 C ATOM 32 CD GLU B 711 -15.161 4.433 9.617 1.00 0.00 C ATOM 33 OE1 GLU B 711 -14.342 4.671 10.489 1.00 0.00 O ATOM 34 OE2 GLU B 711 -15.691 5.288 8.928 1.00 0.00 O ATOM 0 H GLU B 711 -17.045 1.312 10.878 1.00 0.00 H new ATOM 0 HA GLU B 711 -15.173 0.366 9.062 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -14.940 2.368 11.358 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -13.699 2.155 10.139 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -15.335 2.705 8.341 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -16.617 2.847 9.527 1.00 0.00 H new ATOM 41 N CYS B 712 -14.645 -0.616 12.135 1.00 0.00 N ATOM 42 CA CYS B 712 -13.826 -1.497 12.960 1.00 0.00 C ATOM 43 C CYS B 712 -13.725 -2.879 12.323 1.00 0.00 C ATOM 44 O CYS B 712 -12.639 -3.450 12.228 1.00 0.00 O ATOM 45 CB CYS B 712 -14.441 -1.617 14.356 1.00 0.00 C ATOM 46 SG CYS B 712 -14.457 0.009 15.150 1.00 0.00 S ATOM 0 H CYS B 712 -15.489 -0.267 12.590 1.00 0.00 H new ATOM 0 HA CYS B 712 -12.825 -1.072 13.039 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -15.456 -2.009 14.286 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -13.868 -2.322 14.958 1.00 0.00 H new ATOM 0 HG CYS B 712 -14.982 -0.092 16.335 1.00 0.00 H new ATOM 52 N LEU B 713 -14.860 -3.410 11.888 1.00 0.00 N ATOM 53 CA LEU B 713 -14.882 -4.727 11.260 1.00 0.00 C ATOM 54 C LEU B 713 -14.088 -4.717 9.961 1.00 0.00 C ATOM 55 O LEU B 713 -13.332 -5.646 9.672 1.00 0.00 O ATOM 56 CB LEU B 713 -16.337 -5.141 10.986 1.00 0.00 C ATOM 57 CG LEU B 713 -16.967 -5.709 12.271 1.00 0.00 C ATOM 58 CD1 LEU B 713 -16.330 -7.075 12.633 1.00 0.00 C ATOM 59 CD2 LEU B 713 -16.755 -4.713 13.424 1.00 0.00 C ATOM 0 H LEU B 713 -15.770 -2.955 11.957 1.00 0.00 H new ATOM 0 HA LEU B 713 -14.421 -5.447 11.936 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -16.910 -4.282 10.638 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -16.369 -5.888 10.193 1.00 0.00 H new ATOM 0 HG LEU B 713 -18.034 -5.859 12.106 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -16.788 -7.460 13.544 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -16.494 -7.780 11.818 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -15.259 -6.946 12.792 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -17.200 -5.112 14.336 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -15.687 -4.558 13.579 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -17.227 -3.763 13.175 1.00 0.00 H new ATOM 71 N ILE B 714 -14.265 -3.663 9.180 1.00 0.00 N ATOM 72 CA ILE B 714 -13.564 -3.551 7.913 1.00 0.00 C ATOM 73 C ILE B 714 -12.057 -3.469 8.150 1.00 0.00 C ATOM 74 O ILE B 714 -11.273 -4.130 7.474 1.00 0.00 O ATOM 75 CB ILE B 714 -14.040 -2.300 7.167 1.00 0.00 C ATOM 76 CG1 ILE B 714 -15.501 -2.486 6.743 1.00 0.00 C ATOM 77 CG2 ILE B 714 -13.174 -2.083 5.924 1.00 0.00 C ATOM 78 CD1 ILE B 714 -16.059 -1.153 6.239 1.00 0.00 C ATOM 0 H ILE B 714 -14.882 -2.881 9.399 1.00 0.00 H new ATOM 0 HA ILE B 714 -13.779 -4.434 7.311 1.00 0.00 H new ATOM 0 HB ILE B 714 -13.956 -1.433 7.823 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -15.570 -3.241 5.960 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -16.092 -2.845 7.585 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -13.514 -1.193 5.395 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -12.134 -1.952 6.223 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -13.256 -2.949 5.267 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -17.098 -1.284 5.937 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -16.003 -0.411 7.035 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -15.473 -0.813 5.385 1.00 0.00 H new ATOM 90 N TRP B 715 -11.660 -2.661 9.120 1.00 0.00 N ATOM 91 CA TRP B 715 -10.244 -2.506 9.428 1.00 0.00 C ATOM 92 C TRP B 715 -9.621 -3.849 9.775 1.00 0.00 C ATOM 93 O TRP B 715 -8.488 -4.136 9.388 1.00 0.00 O ATOM 94 CB TRP B 715 -10.070 -1.530 10.600 1.00 0.00 C ATOM 95 CG TRP B 715 -10.269 -0.122 10.126 1.00 0.00 C ATOM 96 CD1 TRP B 715 -10.941 0.242 9.006 1.00 0.00 C ATOM 97 CD2 TRP B 715 -9.792 1.113 10.731 1.00 0.00 C ATOM 98 NE1 TRP B 715 -10.908 1.616 8.891 1.00 0.00 N ATOM 99 CE2 TRP B 715 -10.213 2.200 9.929 1.00 0.00 C ATOM 100 CE3 TRP B 715 -9.043 1.395 11.890 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -9.902 3.517 10.262 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -8.728 2.721 12.227 1.00 0.00 C ATOM 103 CH2 TRP B 715 -9.158 3.780 11.415 1.00 0.00 C ATOM 0 H TRP B 715 -12.288 -2.108 9.703 1.00 0.00 H new ATOM 0 HA TRP B 715 -9.738 -2.107 8.548 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -10.787 -1.762 11.388 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -9.075 -1.640 11.032 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -11.424 -0.434 8.316 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -11.345 2.137 8.130 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -8.709 0.586 12.523 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -10.234 4.329 9.633 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -8.151 2.926 13.117 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -8.914 4.798 11.681 1.00 0.00 H new ATOM 114 N LYS B 716 -10.367 -4.669 10.497 1.00 0.00 N ATOM 115 CA LYS B 716 -9.877 -5.982 10.890 1.00 0.00 C ATOM 116 C LYS B 716 -9.619 -6.845 9.663 1.00 0.00 C ATOM 117 O LYS B 716 -8.690 -7.654 9.646 1.00 0.00 O ATOM 118 CB LYS B 716 -10.896 -6.672 11.799 1.00 0.00 C ATOM 119 CG LYS B 716 -10.317 -7.993 12.307 1.00 0.00 C ATOM 120 CD LYS B 716 -11.294 -8.631 13.298 1.00 0.00 C ATOM 121 CE LYS B 716 -10.701 -9.937 13.829 1.00 0.00 C ATOM 122 NZ LYS B 716 -10.638 -10.938 12.728 1.00 0.00 N ATOM 0 H LYS B 716 -11.309 -4.451 10.822 1.00 0.00 H new ATOM 0 HA LYS B 716 -8.940 -5.852 11.432 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -11.145 -6.025 12.640 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -11.821 -6.855 11.252 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -10.137 -8.669 11.471 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -9.355 -7.819 12.789 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -11.491 -7.946 14.123 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -12.249 -8.825 12.810 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -9.703 -9.759 14.230 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -11.311 -10.319 14.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -10.498 -11.887 13.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -11.527 -10.918 12.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -9.845 -10.709 12.096 1.00 0.00 H new ATOM 136 N LEU B 717 -10.451 -6.676 8.643 1.00 0.00 N ATOM 137 CA LEU B 717 -10.300 -7.458 7.425 1.00 0.00 C ATOM 138 C LEU B 717 -8.933 -7.206 6.802 1.00 0.00 C ATOM 139 O LEU B 717 -8.266 -8.135 6.347 1.00 0.00 O ATOM 140 CB LEU B 717 -11.401 -7.089 6.420 1.00 0.00 C ATOM 141 CG LEU B 717 -11.248 -7.914 5.134 1.00 0.00 C ATOM 142 CD1 LEU B 717 -11.334 -9.417 5.458 1.00 0.00 C ATOM 143 CD2 LEU B 717 -12.357 -7.529 4.153 1.00 0.00 C ATOM 0 H LEU B 717 -11.227 -6.014 8.634 1.00 0.00 H new ATOM 0 HA LEU B 717 -10.386 -8.515 7.679 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -12.381 -7.270 6.861 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -11.348 -6.026 6.186 1.00 0.00 H new ATOM 0 HG LEU B 717 -10.276 -7.708 4.685 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -11.224 -9.994 4.540 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -10.538 -9.686 6.153 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -12.301 -9.637 5.911 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -12.252 -8.112 3.238 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -13.328 -7.732 4.604 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -12.282 -6.468 3.917 1.00 0.00 H new ATOM 155 N LEU B 718 -8.521 -5.947 6.782 1.00 0.00 N ATOM 156 CA LEU B 718 -7.226 -5.593 6.205 1.00 0.00 C ATOM 157 C LEU B 718 -6.096 -6.260 6.974 1.00 0.00 C ATOM 158 O LEU B 718 -5.144 -6.764 6.382 1.00 0.00 O ATOM 159 CB LEU B 718 -7.052 -4.065 6.229 1.00 0.00 C ATOM 160 CG LEU B 718 -7.744 -3.439 5.004 1.00 0.00 C ATOM 161 CD1 LEU B 718 -6.974 -3.796 3.707 1.00 0.00 C ATOM 162 CD2 LEU B 718 -9.190 -3.957 4.913 1.00 0.00 C ATOM 0 H LEU B 718 -9.054 -5.160 7.153 1.00 0.00 H new ATOM 0 HA LEU B 718 -7.192 -5.945 5.174 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -7.477 -3.656 7.146 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -5.992 -3.811 6.228 1.00 0.00 H new ATOM 0 HG LEU B 718 -7.751 -2.355 5.116 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -7.476 -3.346 2.850 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -5.955 -3.415 3.772 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -6.949 -4.879 3.585 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -9.681 -3.515 4.046 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -9.182 -5.042 4.811 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -9.733 -3.682 5.817 1.00 0.00 H new ATOM 174 N ILE B 719 -6.213 -6.265 8.291 1.00 0.00 N ATOM 175 CA ILE B 719 -5.191 -6.873 9.126 1.00 0.00 C ATOM 176 C ILE B 719 -5.107 -8.373 8.854 1.00 0.00 C ATOM 177 O ILE B 719 -4.016 -8.931 8.741 1.00 0.00 O ATOM 178 CB ILE B 719 -5.517 -6.640 10.600 1.00 0.00 C ATOM 179 CG1 ILE B 719 -5.673 -5.138 10.854 1.00 0.00 C ATOM 180 CG2 ILE B 719 -4.381 -7.187 11.469 1.00 0.00 C ATOM 181 CD1 ILE B 719 -6.147 -4.899 12.290 1.00 0.00 C ATOM 0 H ILE B 719 -6.997 -5.859 8.801 1.00 0.00 H new ATOM 0 HA ILE B 719 -4.231 -6.414 8.890 1.00 0.00 H new ATOM 0 HB ILE B 719 -6.445 -7.153 10.852 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -4.723 -4.631 10.686 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -6.389 -4.714 10.150 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -4.615 -7.020 12.521 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -4.267 -8.256 11.288 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -3.452 -6.675 11.218 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -6.256 -3.828 12.464 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -7.108 -5.391 12.443 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -5.415 -5.307 12.987 1.00 0.00 H new ATOM 193 N THR B 720 -6.264 -9.015 8.746 1.00 0.00 N ATOM 194 CA THR B 720 -6.307 -10.449 8.488 1.00 0.00 C ATOM 195 C THR B 720 -5.637 -10.773 7.158 1.00 0.00 C ATOM 196 O THR B 720 -4.851 -11.712 7.063 1.00 0.00 O ATOM 197 CB THR B 720 -7.759 -10.934 8.463 1.00 0.00 C ATOM 198 OG1 THR B 720 -8.438 -10.451 9.613 1.00 0.00 O ATOM 199 CG2 THR B 720 -7.792 -12.463 8.448 1.00 0.00 C ATOM 0 H THR B 720 -7.178 -8.570 8.832 1.00 0.00 H new ATOM 0 HA THR B 720 -5.769 -10.959 9.287 1.00 0.00 H new ATOM 0 HB THR B 720 -8.252 -10.558 7.567 1.00 0.00 H new ATOM 0 HG1 THR B 720 -8.637 -9.498 9.499 1.00 0.00 H new ATOM 0 HG21 THR B 720 -8.827 -12.804 8.430 1.00 0.00 H new ATOM 0 HG22 THR B 720 -7.274 -12.829 7.562 1.00 0.00 H new ATOM 0 HG23 THR B 720 -7.299 -12.846 9.341 1.00 0.00 H new ATOM 207 N ILE B 721 -5.953 -9.988 6.135 1.00 0.00 N ATOM 208 CA ILE B 721 -5.373 -10.205 4.813 1.00 0.00 C ATOM 209 C ILE B 721 -3.858 -10.011 4.857 1.00 0.00 C ATOM 210 O ILE B 721 -3.105 -10.794 4.282 1.00 0.00 O ATOM 211 CB ILE B 721 -5.988 -9.226 3.808 1.00 0.00 C ATOM 212 CG1 ILE B 721 -7.466 -9.570 3.606 1.00 0.00 C ATOM 213 CG2 ILE B 721 -5.256 -9.337 2.467 1.00 0.00 C ATOM 214 CD1 ILE B 721 -8.151 -8.441 2.833 1.00 0.00 C ATOM 0 H ILE B 721 -6.601 -9.202 6.193 1.00 0.00 H new ATOM 0 HA ILE B 721 -5.588 -11.227 4.502 1.00 0.00 H new ATOM 0 HB ILE B 721 -5.894 -8.209 4.190 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -7.561 -10.509 3.060 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -7.953 -9.712 4.571 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -5.695 -8.640 1.754 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -4.202 -9.097 2.607 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -5.349 -10.354 2.085 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -9.203 -8.685 2.689 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -8.068 -7.512 3.397 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -7.670 -8.321 1.862 1.00 0.00 H new ATOM 226 N HIS B 722 -3.422 -8.964 5.544 1.00 0.00 N ATOM 227 CA HIS B 722 -1.998 -8.675 5.657 1.00 0.00 C ATOM 228 C HIS B 722 -1.267 -9.837 6.324 1.00 0.00 C ATOM 229 O HIS B 722 -0.127 -10.147 5.977 1.00 0.00 O ATOM 230 CB HIS B 722 -1.782 -7.400 6.472 1.00 0.00 C ATOM 231 CG HIS B 722 -0.310 -7.103 6.559 1.00 0.00 C ATOM 232 ND1 HIS B 722 0.430 -6.701 5.458 1.00 0.00 N ATOM 233 CD2 HIS B 722 0.573 -7.144 7.610 1.00 0.00 C ATOM 234 CE1 HIS B 722 1.698 -6.518 5.868 1.00 0.00 C ATOM 235 NE2 HIS B 722 1.841 -6.774 7.171 1.00 0.00 N ATOM 0 H HIS B 722 -4.029 -8.304 6.029 1.00 0.00 H new ATOM 0 HA HIS B 722 -1.597 -8.534 4.653 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -2.305 -6.565 6.006 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -2.199 -7.520 7.472 1.00 0.00 H new ATOM 0 HD1 HIS B 722 0.077 -6.568 4.510 1.00 0.00 H new ATOM 0 HD2 HIS B 722 0.322 -7.421 8.623 1.00 0.00 H new ATOM 0 HE1 HIS B 722 2.503 -6.202 5.221 1.00 0.00 H new ATOM 244 N ASP B 723 -1.930 -10.470 7.285 1.00 0.00 N ATOM 245 CA ASP B 723 -1.329 -11.592 8.000 1.00 0.00 C ATOM 246 C ASP B 723 -1.214 -12.810 7.089 1.00 0.00 C ATOM 247 O ASP B 723 -0.439 -13.727 7.362 1.00 0.00 O ATOM 248 CB ASP B 723 -2.184 -11.949 9.218 1.00 0.00 C ATOM 249 CG ASP B 723 -2.053 -10.865 10.282 1.00 0.00 C ATOM 250 OD1 ASP B 723 -1.154 -10.050 10.163 1.00 0.00 O ATOM 251 OD2 ASP B 723 -2.857 -10.866 11.201 1.00 0.00 O ATOM 0 H ASP B 723 -2.875 -10.229 7.586 1.00 0.00 H new ATOM 0 HA ASP B 723 -0.331 -11.298 8.325 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -3.228 -12.055 8.922 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -1.869 -12.910 9.625 1.00 0.00 H new ATOM 256 N ARG B 724 -1.982 -12.811 6.005 1.00 0.00 N ATOM 257 CA ARG B 724 -1.952 -13.917 5.052 1.00 0.00 C ATOM 258 C ARG B 724 -0.839 -13.716 4.029 1.00 0.00 C ATOM 259 O ARG B 724 -0.532 -12.587 3.642 1.00 0.00 O ATOM 260 CB ARG B 724 -3.298 -14.028 4.333 1.00 0.00 C ATOM 261 CG ARG B 724 -4.368 -14.492 5.321 1.00 0.00 C ATOM 262 CD ARG B 724 -5.733 -14.499 4.632 1.00 0.00 C ATOM 263 NE ARG B 724 -5.735 -15.463 3.534 1.00 0.00 N ATOM 264 CZ ARG B 724 -6.014 -16.747 3.744 1.00 0.00 C ATOM 265 NH1 ARG B 724 -6.289 -17.164 4.950 1.00 0.00 N ATOM 266 NH2 ARG B 724 -6.009 -17.586 2.747 1.00 0.00 N ATOM 0 H ARG B 724 -2.631 -12.062 5.764 1.00 0.00 H new ATOM 0 HA ARG B 724 -1.760 -14.838 5.602 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -3.575 -13.064 3.907 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -3.223 -14.733 3.505 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -4.130 -15.490 5.689 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -4.390 -13.830 6.187 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -6.511 -14.754 5.352 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -5.963 -13.503 4.253 1.00 0.00 H new ATOM 0 HE ARG B 724 -5.519 -15.146 2.589 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -6.290 -16.506 5.729 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -6.503 -18.148 5.113 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -5.791 -17.258 1.806 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -6.223 -18.570 2.908 1.00 0.00 H new ATOM 280 N LYS B 725 -0.241 -14.817 3.595 1.00 0.00 N ATOM 281 CA LYS B 725 0.836 -14.762 2.613 1.00 0.00 C ATOM 282 C LYS B 725 0.317 -14.231 1.280 1.00 0.00 C ATOM 283 O LYS B 725 1.084 -13.727 0.460 1.00 0.00 O ATOM 284 CB LYS B 725 1.444 -16.151 2.415 1.00 0.00 C ATOM 285 CG LYS B 725 2.689 -16.041 1.534 1.00 0.00 C ATOM 286 CD LYS B 725 3.340 -17.419 1.393 1.00 0.00 C ATOM 287 CE LYS B 725 4.594 -17.308 0.524 1.00 0.00 C ATOM 288 NZ LYS B 725 5.432 -16.174 1.003 1.00 0.00 N ATOM 0 H LYS B 725 -0.482 -15.758 3.906 1.00 0.00 H new ATOM 0 HA LYS B 725 1.606 -14.086 2.986 1.00 0.00 H new ATOM 0 HB2 LYS B 725 1.705 -16.586 3.380 1.00 0.00 H new ATOM 0 HB3 LYS B 725 0.715 -16.816 1.952 1.00 0.00 H new ATOM 0 HG2 LYS B 725 2.419 -15.653 0.552 1.00 0.00 H new ATOM 0 HG3 LYS B 725 3.396 -15.336 1.972 1.00 0.00 H new ATOM 0 HD2 LYS B 725 3.600 -17.812 2.376 1.00 0.00 H new ATOM 0 HD3 LYS B 725 2.636 -18.121 0.945 1.00 0.00 H new ATOM 0 HE2 LYS B 725 5.162 -18.237 0.567 1.00 0.00 H new ATOM 0 HE3 LYS B 725 4.315 -17.153 -0.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 6.430 -16.361 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 5.130 -15.297 0.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 5.321 -16.071 2.032 1.00 0.00 H new ATOM 302 N GLU B 726 -0.990 -14.355 1.069 1.00 0.00 N ATOM 303 CA GLU B 726 -1.599 -13.891 -0.172 1.00 0.00 C ATOM 304 C GLU B 726 -1.332 -12.402 -0.373 1.00 0.00 C ATOM 305 O GLU B 726 -1.155 -11.943 -1.501 1.00 0.00 O ATOM 306 CB GLU B 726 -3.110 -14.138 -0.133 1.00 0.00 C ATOM 307 CG GLU B 726 -3.382 -15.643 -0.169 1.00 0.00 C ATOM 308 CD GLU B 726 -4.878 -15.905 -0.028 1.00 0.00 C ATOM 309 OE1 GLU B 726 -5.625 -14.942 0.030 1.00 0.00 O ATOM 310 OE2 GLU B 726 -5.253 -17.065 0.021 1.00 0.00 O ATOM 0 H GLU B 726 -1.642 -14.769 1.735 1.00 0.00 H new ATOM 0 HA GLU B 726 -1.160 -14.444 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -3.537 -13.702 0.770 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -3.591 -13.650 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -3.017 -16.065 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -2.840 -16.138 0.636 1.00 0.00 H new ATOM 317 N PHE B 727 -1.298 -11.656 0.725 1.00 0.00 N ATOM 318 CA PHE B 727 -1.043 -10.222 0.651 1.00 0.00 C ATOM 319 C PHE B 727 0.323 -9.951 0.027 1.00 0.00 C ATOM 320 O PHE B 727 0.457 -9.097 -0.849 1.00 0.00 O ATOM 321 CB PHE B 727 -1.098 -9.612 2.053 1.00 0.00 C ATOM 322 CG PHE B 727 -0.746 -8.145 1.980 1.00 0.00 C ATOM 323 CD1 PHE B 727 -1.639 -7.240 1.392 1.00 0.00 C ATOM 324 CD2 PHE B 727 0.472 -7.687 2.499 1.00 0.00 C ATOM 325 CE1 PHE B 727 -1.312 -5.880 1.321 1.00 0.00 C ATOM 326 CE2 PHE B 727 0.798 -6.328 2.428 1.00 0.00 C ATOM 327 CZ PHE B 727 -0.095 -5.424 1.840 1.00 0.00 C ATOM 0 H PHE B 727 -1.442 -12.015 1.669 1.00 0.00 H new ATOM 0 HA PHE B 727 -1.810 -9.766 0.025 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -2.095 -9.737 2.476 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -0.404 -10.131 2.714 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -2.579 -7.591 0.993 1.00 0.00 H new ATOM 0 HD2 PHE B 727 1.160 -8.384 2.954 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -2.000 -5.183 0.865 1.00 0.00 H new ATOM 0 HE2 PHE B 727 1.738 -5.977 2.827 1.00 0.00 H new ATOM 0 HZ PHE B 727 0.155 -4.375 1.787 1.00 0.00 H new ATOM 337 N ALA B 728 1.336 -10.684 0.483 1.00 0.00 N ATOM 338 CA ALA B 728 2.684 -10.512 -0.038 1.00 0.00 C ATOM 339 C ALA B 728 2.719 -10.821 -1.530 1.00 0.00 C ATOM 340 O ALA B 728 3.367 -10.117 -2.301 1.00 0.00 O ATOM 341 CB ALA B 728 3.649 -11.441 0.702 1.00 0.00 C ATOM 0 H ALA B 728 1.248 -11.397 1.207 1.00 0.00 H new ATOM 0 HA ALA B 728 2.988 -9.477 0.115 1.00 0.00 H new ATOM 0 HB1 ALA B 728 4.656 -11.308 0.308 1.00 0.00 H new ATOM 0 HB2 ALA B 728 3.641 -11.202 1.765 1.00 0.00 H new ATOM 0 HB3 ALA B 728 3.338 -12.476 0.561 1.00 0.00 H new ATOM 347 N LYS B 729 2.013 -11.874 -1.930 1.00 0.00 N ATOM 348 CA LYS B 729 1.971 -12.260 -3.337 1.00 0.00 C ATOM 349 C LYS B 729 1.340 -11.149 -4.179 1.00 0.00 C ATOM 350 O LYS B 729 1.815 -10.830 -5.267 1.00 0.00 O ATOM 351 CB LYS B 729 1.163 -13.550 -3.498 1.00 0.00 C ATOM 352 CG LYS B 729 1.920 -14.715 -2.858 1.00 0.00 C ATOM 353 CD LYS B 729 1.111 -16.003 -3.022 1.00 0.00 C ATOM 354 CE LYS B 729 1.876 -17.172 -2.396 1.00 0.00 C ATOM 355 NZ LYS B 729 1.090 -18.426 -2.564 1.00 0.00 N ATOM 0 H LYS B 729 1.467 -12.470 -1.308 1.00 0.00 H new ATOM 0 HA LYS B 729 2.992 -12.425 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS B 729 0.185 -13.439 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS B 729 0.990 -13.753 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS B 729 2.899 -14.826 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS B 729 2.092 -14.513 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS B 729 0.137 -15.896 -2.545 1.00 0.00 H new ATOM 0 HD3 LYS B 729 0.929 -16.198 -4.079 1.00 0.00 H new ATOM 0 HE2 LYS B 729 2.853 -17.276 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS B 729 2.053 -16.980 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 1.609 -19.221 -2.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 0.168 -18.324 -2.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 0.943 -18.611 -3.577 1.00 0.00 H new ATOM 369 N PHE B 730 0.264 -10.564 -3.665 1.00 0.00 N ATOM 370 CA PHE B 730 -0.423 -9.495 -4.376 1.00 0.00 C ATOM 371 C PHE B 730 0.518 -8.310 -4.582 1.00 0.00 C ATOM 372 O PHE B 730 0.560 -7.715 -5.658 1.00 0.00 O ATOM 373 CB PHE B 730 -1.654 -9.053 -3.586 1.00 0.00 C ATOM 374 CG PHE B 730 -2.525 -8.188 -4.462 1.00 0.00 C ATOM 375 CD1 PHE B 730 -2.168 -6.862 -4.716 1.00 0.00 C ATOM 376 CD2 PHE B 730 -3.693 -8.717 -5.025 1.00 0.00 C ATOM 377 CE1 PHE B 730 -2.972 -6.068 -5.533 1.00 0.00 C ATOM 378 CE2 PHE B 730 -4.499 -7.921 -5.842 1.00 0.00 C ATOM 379 CZ PHE B 730 -4.142 -6.594 -6.096 1.00 0.00 C ATOM 0 H PHE B 730 -0.148 -10.810 -2.765 1.00 0.00 H new ATOM 0 HA PHE B 730 -0.739 -9.866 -5.351 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -2.213 -9.924 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -1.350 -8.501 -2.697 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -1.269 -6.452 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -3.971 -9.742 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -2.692 -5.044 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -5.398 -8.331 -6.277 1.00 0.00 H new ATOM 0 HZ PHE B 730 -4.766 -5.976 -6.724 1.00 0.00 H new ATOM 389 N GLU B 731 1.271 -7.974 -3.542 1.00 0.00 N ATOM 390 CA GLU B 731 2.214 -6.859 -3.615 1.00 0.00 C ATOM 391 C GLU B 731 3.199 -7.072 -4.761 1.00 0.00 C ATOM 392 O GLU B 731 3.577 -6.124 -5.446 1.00 0.00 O ATOM 393 CB GLU B 731 2.980 -6.734 -2.291 1.00 0.00 C ATOM 394 CG GLU B 731 2.054 -6.181 -1.208 1.00 0.00 C ATOM 395 CD GLU B 731 2.800 -6.101 0.121 1.00 0.00 C ATOM 396 OE1 GLU B 731 3.522 -7.033 0.431 1.00 0.00 O ATOM 397 OE2 GLU B 731 2.639 -5.105 0.808 1.00 0.00 O ATOM 0 H GLU B 731 1.250 -8.453 -2.642 1.00 0.00 H new ATOM 0 HA GLU B 731 1.655 -5.941 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU B 731 3.366 -7.708 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU B 731 3.840 -6.076 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU B 731 1.695 -5.192 -1.494 1.00 0.00 H new ATOM 0 HG3 GLU B 731 1.177 -6.821 -1.105 1.00 0.00 H new ATOM 404 N GLU B 732 3.606 -8.317 -4.974 1.00 0.00 N ATOM 405 CA GLU B 732 4.536 -8.624 -6.048 1.00 0.00 C ATOM 406 C GLU B 732 3.904 -8.291 -7.397 1.00 0.00 C ATOM 407 O GLU B 732 4.581 -7.829 -8.314 1.00 0.00 O ATOM 408 CB GLU B 732 4.909 -10.105 -6.006 1.00 0.00 C ATOM 409 CG GLU B 732 5.694 -10.390 -4.728 1.00 0.00 C ATOM 410 CD GLU B 732 6.046 -11.872 -4.651 1.00 0.00 C ATOM 411 OE1 GLU B 732 5.773 -12.576 -5.609 1.00 0.00 O ATOM 412 OE2 GLU B 732 6.587 -12.281 -3.637 1.00 0.00 O ATOM 0 H GLU B 732 3.309 -9.122 -4.422 1.00 0.00 H new ATOM 0 HA GLU B 732 5.436 -8.024 -5.918 1.00 0.00 H new ATOM 0 HB2 GLU B 732 4.009 -10.720 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU B 732 5.506 -10.367 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU B 732 6.604 -9.790 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU B 732 5.104 -10.102 -3.858 1.00 0.00 H new ATOM 419 N GLU B 733 2.599 -8.526 -7.508 1.00 0.00 N ATOM 420 CA GLU B 733 1.885 -8.241 -8.749 1.00 0.00 C ATOM 421 C GLU B 733 1.823 -6.737 -8.999 1.00 0.00 C ATOM 422 O GLU B 733 1.870 -6.288 -10.145 1.00 0.00 O ATOM 423 CB GLU B 733 0.466 -8.809 -8.684 1.00 0.00 C ATOM 424 CG GLU B 733 0.528 -10.336 -8.594 1.00 0.00 C ATOM 425 CD GLU B 733 1.086 -10.915 -9.890 1.00 0.00 C ATOM 426 OE1 GLU B 733 1.054 -10.218 -10.890 1.00 0.00 O ATOM 427 OE2 GLU B 733 1.539 -12.048 -9.864 1.00 0.00 O ATOM 0 H GLU B 733 2.019 -8.909 -6.761 1.00 0.00 H new ATOM 0 HA GLU B 733 2.425 -8.713 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -0.059 -8.405 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -0.097 -8.509 -9.568 1.00 0.00 H new ATOM 0 HG2 GLU B 733 1.156 -10.633 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -0.468 -10.738 -8.406 1.00 0.00 H new ATOM 434 N ARG B 734 1.711 -5.959 -7.921 1.00 0.00 N ATOM 435 CA ARG B 734 1.638 -4.514 -8.044 1.00 0.00 C ATOM 436 C ARG B 734 2.892 -3.965 -8.714 1.00 0.00 C ATOM 437 O ARG B 734 2.806 -3.154 -9.635 1.00 0.00 O ATOM 438 CB ARG B 734 1.481 -3.892 -6.653 1.00 0.00 C ATOM 439 CG ARG B 734 0.063 -4.116 -6.135 1.00 0.00 C ATOM 440 CD ARG B 734 -0.085 -3.460 -4.759 1.00 0.00 C ATOM 441 NE ARG B 734 -1.444 -3.646 -4.257 1.00 0.00 N ATOM 442 CZ ARG B 734 -2.407 -2.764 -4.518 1.00 0.00 C ATOM 443 NH1 ARG B 734 -2.148 -1.707 -5.237 1.00 0.00 N ATOM 444 NH2 ARG B 734 -3.614 -2.964 -4.062 1.00 0.00 N ATOM 0 H ARG B 734 1.670 -6.308 -6.963 1.00 0.00 H new ATOM 0 HA ARG B 734 0.777 -4.258 -8.662 1.00 0.00 H new ATOM 0 HB2 ARG B 734 2.202 -4.334 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG B 734 1.696 -2.824 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -0.661 -3.694 -6.831 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -0.146 -5.183 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG B 734 0.631 -3.895 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG B 734 0.143 -2.396 -4.828 1.00 0.00 H new ATOM 0 HE ARG B 734 -1.660 -4.469 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -1.207 -1.555 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -2.887 -1.032 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -3.818 -3.795 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -4.353 -2.289 -4.261 1.00 0.00 H new ATOM 458 N ALA B 735 4.054 -4.414 -8.256 1.00 0.00 N ATOM 459 CA ALA B 735 5.316 -3.963 -8.831 1.00 0.00 C ATOM 460 C ALA B 735 5.516 -4.542 -10.227 1.00 0.00 C ATOM 461 O ALA B 735 5.930 -3.836 -11.143 1.00 0.00 O ATOM 462 CB ALA B 735 6.476 -4.384 -7.928 1.00 0.00 C ATOM 0 H ALA B 735 4.149 -5.085 -7.494 1.00 0.00 H new ATOM 0 HA ALA B 735 5.288 -2.876 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA B 735 7.417 -4.045 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA B 735 6.350 -3.938 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA B 735 6.490 -5.470 -7.836 1.00 0.00 H new ATOM 468 N ARG B 736 5.221 -5.830 -10.384 1.00 0.00 N ATOM 469 CA ARG B 736 5.378 -6.480 -11.670 1.00 0.00 C ATOM 470 C ARG B 736 4.483 -5.821 -12.705 1.00 0.00 C ATOM 471 O ARG B 736 4.902 -5.583 -13.839 1.00 0.00 O ATOM 472 CB ARG B 736 5.025 -7.963 -11.539 1.00 0.00 C ATOM 473 CG ARG B 736 6.150 -8.700 -10.810 1.00 0.00 C ATOM 474 CD ARG B 736 5.761 -10.166 -10.606 1.00 0.00 C ATOM 475 NE ARG B 736 4.743 -10.279 -9.568 1.00 0.00 N ATOM 476 CZ ARG B 736 4.252 -11.461 -9.214 1.00 0.00 C ATOM 477 NH1 ARG B 736 4.676 -12.548 -9.801 1.00 0.00 N ATOM 478 NH2 ARG B 736 3.349 -11.538 -8.275 1.00 0.00 N ATOM 0 H ARG B 736 4.875 -6.435 -9.639 1.00 0.00 H new ATOM 0 HA ARG B 736 6.414 -6.383 -11.995 1.00 0.00 H new ATOM 0 HB2 ARG B 736 4.089 -8.077 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG B 736 4.872 -8.399 -12.526 1.00 0.00 H new ATOM 0 HG2 ARG B 736 7.073 -8.636 -11.387 1.00 0.00 H new ATOM 0 HG3 ARG B 736 6.342 -8.228 -9.847 1.00 0.00 H new ATOM 0 HD2 ARG B 736 5.385 -10.583 -11.540 1.00 0.00 H new ATOM 0 HD3 ARG B 736 6.640 -10.747 -10.328 1.00 0.00 H new ATOM 0 HE ARG B 736 4.402 -9.436 -9.106 1.00 0.00 H new ATOM 0 HH11 ARG B 736 5.385 -12.489 -10.532 1.00 0.00 H new ATOM 0 HH12 ARG B 736 4.298 -13.455 -9.528 1.00 0.00 H new ATOM 0 HH21 ARG B 736 3.020 -10.690 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG B 736 2.972 -12.446 -8.003 1.00 0.00 H new ATOM 598 N ASN B 744 -2.455 5.111 -8.759 1.00 0.00 N ATOM 599 CA ASN B 744 -3.349 6.182 -8.376 1.00 0.00 C ATOM 600 C ASN B 744 -2.545 7.447 -8.016 1.00 0.00 C ATOM 601 O ASN B 744 -1.439 7.362 -7.489 1.00 0.00 O ATOM 602 CB ASN B 744 -4.235 5.744 -7.180 1.00 0.00 C ATOM 603 CG ASN B 744 -4.190 6.783 -6.064 1.00 0.00 C ATOM 604 OD1 ASN B 744 -3.136 6.982 -5.466 1.00 0.00 O ATOM 605 ND2 ASN B 744 -5.257 7.471 -5.766 1.00 0.00 N ATOM 0 HA ASN B 744 -3.998 6.413 -9.221 1.00 0.00 H new ATOM 0 HB2 ASN B 744 -5.263 5.607 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN B 744 -3.892 4.781 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN B 744 -5.219 8.179 -5.033 1.00 0.00 H new ATOM 0 HD22 ASN B 744 -6.130 7.301 -6.266 1.00 0.00 H new ATOM 612 N PRO B 745 -3.086 8.608 -8.277 1.00 0.00 N ATOM 613 CA PRO B 745 -2.405 9.893 -7.955 1.00 0.00 C ATOM 614 C PRO B 745 -1.856 9.939 -6.532 1.00 0.00 C ATOM 615 O PRO B 745 -0.731 10.381 -6.301 1.00 0.00 O ATOM 616 CB PRO B 745 -3.519 10.942 -8.133 1.00 0.00 C ATOM 617 CG PRO B 745 -4.507 10.336 -9.080 1.00 0.00 C ATOM 618 CD PRO B 745 -4.392 8.823 -8.917 1.00 0.00 C ATOM 0 HA PRO B 745 -1.535 10.054 -8.592 1.00 0.00 H new ATOM 0 HB2 PRO B 745 -3.988 11.179 -7.178 1.00 0.00 H new ATOM 0 HB3 PRO B 745 -3.118 11.874 -8.531 1.00 0.00 H new ATOM 0 HG2 PRO B 745 -5.518 10.675 -8.855 1.00 0.00 H new ATOM 0 HG3 PRO B 745 -4.293 10.633 -10.107 1.00 0.00 H new ATOM 0 HD2 PRO B 745 -5.202 8.429 -8.303 1.00 0.00 H new ATOM 0 HD3 PRO B 745 -4.448 8.317 -9.881 1.00 0.00 H new ATOM 626 N LEU B 746 -2.656 9.488 -5.591 1.00 0.00 N ATOM 627 CA LEU B 746 -2.247 9.492 -4.190 1.00 0.00 C ATOM 628 C LEU B 746 -1.027 8.593 -3.990 1.00 0.00 C ATOM 629 O LEU B 746 -0.234 8.805 -3.072 1.00 0.00 O ATOM 630 CB LEU B 746 -3.408 9.021 -3.293 1.00 0.00 C ATOM 631 CG LEU B 746 -4.358 10.185 -3.016 1.00 0.00 C ATOM 632 CD1 LEU B 746 -4.846 10.769 -4.341 1.00 0.00 C ATOM 633 CD2 LEU B 746 -5.554 9.681 -2.205 1.00 0.00 C ATOM 0 H LEU B 746 -3.590 9.114 -5.761 1.00 0.00 H new ATOM 0 HA LEU B 746 -1.979 10.511 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU B 746 -3.947 8.208 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU B 746 -3.017 8.628 -2.354 1.00 0.00 H new ATOM 0 HG LEU B 746 -3.836 10.957 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU B 746 -5.524 11.600 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU B 746 -3.993 11.126 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU B 746 -5.370 9.999 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU B 746 -6.234 10.510 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU B 746 -6.078 8.910 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU B 746 -5.204 9.264 -1.261 1.00 0.00 H new ATOM 645 N TYR B 747 -0.892 7.591 -4.844 1.00 0.00 N ATOM 646 CA TYR B 747 0.228 6.667 -4.744 1.00 0.00 C ATOM 647 C TYR B 747 1.544 7.383 -5.028 1.00 0.00 C ATOM 648 O TYR B 747 2.528 7.213 -4.309 1.00 0.00 O ATOM 649 CB TYR B 747 0.044 5.514 -5.731 1.00 0.00 C ATOM 650 CG TYR B 747 1.071 4.444 -5.458 1.00 0.00 C ATOM 651 CD1 TYR B 747 0.802 3.440 -4.521 1.00 0.00 C ATOM 652 CD2 TYR B 747 2.291 4.457 -6.141 1.00 0.00 C ATOM 653 CE1 TYR B 747 1.755 2.447 -4.268 1.00 0.00 C ATOM 654 CE2 TYR B 747 3.244 3.464 -5.889 1.00 0.00 C ATOM 655 CZ TYR B 747 2.976 2.459 -4.951 1.00 0.00 C ATOM 656 OH TYR B 747 3.917 1.481 -4.702 1.00 0.00 O ATOM 0 H TYR B 747 -1.538 7.397 -5.609 1.00 0.00 H new ATOM 0 HA TYR B 747 0.258 6.272 -3.729 1.00 0.00 H new ATOM 0 HB2 TYR B 747 -0.960 5.100 -5.639 1.00 0.00 H new ATOM 0 HB3 TYR B 747 0.146 5.878 -6.753 1.00 0.00 H new ATOM 0 HD1 TYR B 747 -0.140 3.432 -3.994 1.00 0.00 H new ATOM 0 HD2 TYR B 747 2.498 5.233 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR B 747 1.548 1.671 -3.546 1.00 0.00 H new ATOM 0 HE2 TYR B 747 4.186 3.472 -6.418 1.00 0.00 H new ATOM 0 HH TYR B 747 4.706 1.637 -5.261 1.00 0.00 H new ATOM 666 N LYS B 748 1.544 8.186 -6.084 1.00 0.00 N ATOM 667 CA LYS B 748 2.740 8.933 -6.469 1.00 0.00 C ATOM 668 C LYS B 748 3.105 9.938 -5.382 1.00 0.00 C ATOM 669 O LYS B 748 4.275 10.142 -5.072 1.00 0.00 O ATOM 670 CB LYS B 748 2.503 9.672 -7.788 1.00 0.00 C ATOM 671 CG LYS B 748 2.243 8.654 -8.895 1.00 0.00 C ATOM 672 CD LYS B 748 2.014 9.384 -10.220 1.00 0.00 C ATOM 673 CE LYS B 748 1.759 8.364 -11.333 1.00 0.00 C ATOM 674 NZ LYS B 748 1.525 9.079 -12.619 1.00 0.00 N ATOM 0 H LYS B 748 0.736 8.338 -6.688 1.00 0.00 H new ATOM 0 HA LYS B 748 3.561 8.227 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS B 748 1.653 10.348 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS B 748 3.370 10.284 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS B 748 3.091 7.974 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS B 748 1.372 8.047 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS B 748 1.164 10.060 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS B 748 2.883 9.995 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS B 748 2.613 7.693 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS B 748 0.895 7.748 -11.085 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 1.352 8.386 -13.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 0.698 9.702 -12.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 2.362 9.649 -12.857 1.00 0.00 H new ATOM 688 N GLU B 749 2.089 10.567 -4.813 1.00 0.00 N ATOM 689 CA GLU B 749 2.314 11.555 -3.761 1.00 0.00 C ATOM 690 C GLU B 749 2.917 10.900 -2.524 1.00 0.00 C ATOM 691 O GLU B 749 3.698 11.517 -1.799 1.00 0.00 O ATOM 692 CB GLU B 749 0.995 12.240 -3.385 1.00 0.00 C ATOM 693 CG GLU B 749 1.258 13.352 -2.364 1.00 0.00 C ATOM 694 CD GLU B 749 -0.044 14.071 -2.029 1.00 0.00 C ATOM 695 OE1 GLU B 749 -1.090 13.568 -2.405 1.00 0.00 O ATOM 696 OE2 GLU B 749 0.024 15.115 -1.400 1.00 0.00 O ATOM 0 H GLU B 749 1.110 10.416 -5.056 1.00 0.00 H new ATOM 0 HA GLU B 749 3.013 12.300 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU B 749 0.524 12.656 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU B 749 0.301 11.509 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU B 749 1.693 12.930 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU B 749 1.982 14.061 -2.765 1.00 0.00 H new ATOM 703 N ALA B 750 2.544 9.653 -2.286 1.00 0.00 N ATOM 704 CA ALA B 750 3.050 8.927 -1.127 1.00 0.00 C ATOM 705 C ALA B 750 4.575 8.874 -1.140 1.00 0.00 C ATOM 706 O ALA B 750 5.227 9.227 -0.159 1.00 0.00 O ATOM 707 CB ALA B 750 2.496 7.498 -1.130 1.00 0.00 C ATOM 0 H ALA B 750 1.899 9.124 -2.873 1.00 0.00 H new ATOM 0 HA ALA B 750 2.725 9.451 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA B 750 2.876 6.959 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA B 750 1.407 7.530 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA B 750 2.810 6.988 -2.041 1.00 0.00 H new ATOM 713 N THR B 751 5.134 8.436 -2.261 1.00 0.00 N ATOM 714 CA THR B 751 6.585 8.342 -2.397 1.00 0.00 C ATOM 715 C THR B 751 7.214 9.732 -2.436 1.00 0.00 C ATOM 716 O THR B 751 8.299 9.952 -1.900 1.00 0.00 O ATOM 717 CB THR B 751 6.951 7.570 -3.666 1.00 0.00 C ATOM 718 OG1 THR B 751 8.346 7.686 -3.903 1.00 0.00 O ATOM 719 CG2 THR B 751 6.184 8.137 -4.858 1.00 0.00 C ATOM 0 H THR B 751 4.610 8.142 -3.085 1.00 0.00 H new ATOM 0 HA THR B 751 6.974 7.807 -1.531 1.00 0.00 H new ATOM 0 HB THR B 751 6.687 6.520 -3.536 1.00 0.00 H new ATOM 0 HG1 THR B 751 8.582 7.191 -4.715 1.00 0.00 H new ATOM 0 HG21 THR B 751 6.449 7.583 -5.758 1.00 0.00 H new ATOM 0 HG22 THR B 751 5.113 8.046 -4.678 1.00 0.00 H new ATOM 0 HG23 THR B 751 6.442 9.188 -4.990 1.00 0.00 H new ATOM 727 N SER B 752 6.523 10.662 -3.084 1.00 0.00 N ATOM 728 CA SER B 752 7.019 12.027 -3.204 1.00 0.00 C ATOM 729 C SER B 752 7.269 12.628 -1.827 1.00 0.00 C ATOM 730 O SER B 752 8.205 13.404 -1.637 1.00 0.00 O ATOM 731 CB SER B 752 6.009 12.888 -3.966 1.00 0.00 C ATOM 732 OG SER B 752 5.676 12.246 -5.192 1.00 0.00 O ATOM 0 H SER B 752 5.622 10.497 -3.532 1.00 0.00 H new ATOM 0 HA SER B 752 7.960 12.004 -3.754 1.00 0.00 H new ATOM 0 HB2 SER B 752 5.112 13.036 -3.364 1.00 0.00 H new ATOM 0 HB3 SER B 752 6.429 13.875 -4.161 1.00 0.00 H new ATOM 0 HG SER B 752 4.855 11.724 -5.075 1.00 0.00 H new ATOM 738 N THR B 753 6.429 12.260 -0.872 1.00 0.00 N ATOM 739 CA THR B 753 6.567 12.762 0.492 1.00 0.00 C ATOM 740 C THR B 753 7.883 12.295 1.102 1.00 0.00 C ATOM 741 O THR B 753 8.595 13.071 1.716 1.00 0.00 O ATOM 742 CB THR B 753 5.399 12.271 1.353 1.00 0.00 C ATOM 743 OG1 THR B 753 4.179 12.774 0.825 1.00 0.00 O ATOM 744 CG2 THR B 753 5.578 12.763 2.789 1.00 0.00 C ATOM 0 H THR B 753 5.648 11.619 -1.012 1.00 0.00 H new ATOM 0 HA THR B 753 6.560 13.852 0.460 1.00 0.00 H new ATOM 0 HB THR B 753 5.376 11.181 1.346 1.00 0.00 H new ATOM 0 HG1 THR B 753 4.000 12.353 -0.042 1.00 0.00 H new ATOM 0 HG21 THR B 753 4.746 12.413 3.400 1.00 0.00 H new ATOM 0 HG22 THR B 753 6.513 12.375 3.193 1.00 0.00 H new ATOM 0 HG23 THR B 753 5.603 13.853 2.800 1.00 0.00 H new ATOM 752 N PHE B 754 8.203 11.028 0.917 1.00 0.00 N ATOM 753 CA PHE B 754 9.443 10.479 1.467 1.00 0.00 C ATOM 754 C PHE B 754 10.641 11.257 0.939 1.00 0.00 C ATOM 755 O PHE B 754 11.561 11.583 1.692 1.00 0.00 O ATOM 756 CB PHE B 754 9.570 9.004 1.079 1.00 0.00 C ATOM 757 CG PHE B 754 10.797 8.413 1.732 1.00 0.00 C ATOM 758 CD1 PHE B 754 10.776 8.093 3.093 1.00 0.00 C ATOM 759 CD2 PHE B 754 11.954 8.188 0.975 1.00 0.00 C ATOM 760 CE1 PHE B 754 11.913 7.546 3.701 1.00 0.00 C ATOM 761 CE2 PHE B 754 13.091 7.641 1.583 1.00 0.00 C ATOM 762 CZ PHE B 754 13.071 7.321 2.946 1.00 0.00 C ATOM 0 H PHE B 754 7.633 10.360 0.397 1.00 0.00 H new ATOM 0 HA PHE B 754 9.418 10.566 2.553 1.00 0.00 H new ATOM 0 HB2 PHE B 754 8.680 8.457 1.391 1.00 0.00 H new ATOM 0 HB3 PHE B 754 9.640 8.907 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE B 754 9.883 8.268 3.675 1.00 0.00 H new ATOM 0 HD2 PHE B 754 11.969 8.436 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE B 754 11.897 7.298 4.752 1.00 0.00 H new ATOM 0 HE2 PHE B 754 13.983 7.466 1.000 1.00 0.00 H new ATOM 0 HZ PHE B 754 13.948 6.901 3.415 1.00 0.00 H new ATOM 772 N THR B 755 10.619 11.562 -0.349 1.00 0.00 N ATOM 773 CA THR B 755 11.703 12.316 -0.962 1.00 0.00 C ATOM 774 C THR B 755 11.810 13.700 -0.327 1.00 0.00 C ATOM 775 O THR B 755 12.902 14.238 -0.162 1.00 0.00 O ATOM 776 CB THR B 755 11.470 12.452 -2.467 1.00 0.00 C ATOM 777 OG1 THR B 755 11.126 11.183 -3.006 1.00 0.00 O ATOM 778 CG2 THR B 755 12.745 12.966 -3.141 1.00 0.00 C ATOM 0 H THR B 755 9.868 11.301 -0.988 1.00 0.00 H new ATOM 0 HA THR B 755 12.636 11.777 -0.796 1.00 0.00 H new ATOM 0 HB THR B 755 10.659 13.158 -2.647 1.00 0.00 H new ATOM 0 HG1 THR B 755 10.974 11.267 -3.971 1.00 0.00 H new ATOM 0 HG21 THR B 755 12.576 13.062 -4.214 1.00 0.00 H new ATOM 0 HG22 THR B 755 13.009 13.939 -2.727 1.00 0.00 H new ATOM 0 HG23 THR B 755 13.559 12.263 -2.963 1.00 0.00 H new ATOM 786 N ASN B 756 10.668 14.280 0.019 1.00 0.00 N ATOM 787 CA ASN B 756 10.653 15.598 0.630 1.00 0.00 C ATOM 788 C ASN B 756 11.324 15.561 2.003 1.00 0.00 C ATOM 789 O ASN B 756 12.144 16.422 2.325 1.00 0.00 O ATOM 790 CB ASN B 756 9.199 16.081 0.764 1.00 0.00 C ATOM 791 CG ASN B 756 8.714 16.678 -0.549 1.00 0.00 C ATOM 792 OD1 ASN B 756 9.268 17.669 -1.022 1.00 0.00 O ATOM 793 ND2 ASN B 756 7.702 16.135 -1.163 1.00 0.00 N ATOM 0 H ASN B 756 9.748 13.860 -0.113 1.00 0.00 H new ATOM 0 HA ASN B 756 11.209 16.290 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN B 756 8.557 15.248 1.051 1.00 0.00 H new ATOM 0 HB3 ASN B 756 9.128 16.825 1.557 1.00 0.00 H new ATOM 0 HD21 ASN B 756 7.365 16.531 -2.040 1.00 0.00 H new ATOM 0 HD22 ASN B 756 7.246 15.313 -0.767 1.00 0.00 H new ATOM 800 N ILE B 757 10.963 14.569 2.811 1.00 0.00 N ATOM 801 CA ILE B 757 11.534 14.453 4.148 1.00 0.00 C ATOM 802 C ILE B 757 13.000 14.056 4.084 1.00 0.00 C ATOM 803 O ILE B 757 13.853 14.662 4.729 1.00 0.00 O ATOM 804 CB ILE B 757 10.763 13.402 4.954 1.00 0.00 C ATOM 805 CG1 ILE B 757 9.260 13.683 4.837 1.00 0.00 C ATOM 806 CG2 ILE B 757 11.186 13.478 6.430 1.00 0.00 C ATOM 807 CD1 ILE B 757 8.486 12.966 5.957 1.00 0.00 C ATOM 0 H ILE B 757 10.288 13.844 2.568 1.00 0.00 H new ATOM 0 HA ILE B 757 11.456 15.426 4.633 1.00 0.00 H new ATOM 0 HB ILE B 757 10.982 12.407 4.566 1.00 0.00 H new ATOM 0 HG12 ILE B 757 9.080 14.757 4.893 1.00 0.00 H new ATOM 0 HG13 ILE B 757 8.897 13.349 3.865 1.00 0.00 H new ATOM 0 HG21 ILE B 757 10.638 12.731 7.004 1.00 0.00 H new ATOM 0 HG22 ILE B 757 12.256 13.286 6.512 1.00 0.00 H new ATOM 0 HG23 ILE B 757 10.964 14.471 6.821 1.00 0.00 H new ATOM 0 HD11 ILE B 757 7.421 13.178 5.857 1.00 0.00 H new ATOM 0 HD12 ILE B 757 8.651 11.891 5.883 1.00 0.00 H new ATOM 0 HD13 ILE B 757 8.837 13.321 6.926 1.00 0.00 H new ATOM 819 N THR B 758 13.276 13.034 3.300 1.00 0.00 N ATOM 820 CA THR B 758 14.646 12.542 3.151 1.00 0.00 C ATOM 821 C THR B 758 15.543 13.633 2.585 1.00 0.00 C ATOM 822 O THR B 758 16.768 13.509 2.568 1.00 0.00 O ATOM 823 CB THR B 758 14.666 11.305 2.231 1.00 0.00 C ATOM 824 OG1 THR B 758 15.700 10.423 2.649 1.00 0.00 O ATOM 825 CG2 THR B 758 14.909 11.710 0.769 1.00 0.00 C ATOM 0 H THR B 758 12.580 12.525 2.755 1.00 0.00 H new ATOM 0 HA THR B 758 15.024 12.258 4.133 1.00 0.00 H new ATOM 0 HB THR B 758 13.697 10.810 2.299 1.00 0.00 H new ATOM 0 HG1 THR B 758 15.713 9.635 2.066 1.00 0.00 H new ATOM 0 HG21 THR B 758 14.918 10.819 0.141 1.00 0.00 H new ATOM 0 HG22 THR B 758 14.113 12.378 0.439 1.00 0.00 H new ATOM 0 HG23 THR B 758 15.868 12.221 0.688 1.00 0.00 H new