USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=9 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 720 THR OG1 : rot 180:sc= 0.00576 USER MOD Single : B 722 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 729 LYS NZ :NH3+ 131:sc= -0.0223 (180deg=-0.507) USER MOD Single : B 744 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.5!) 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= 0.00109 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 180:sc= 0 USER MOD Single : B 755 THR OG1 : rot 79:sc= 1.04 USER MOD Single : B 756 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 758 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -22.896 -10.720 11.451 1.00 0.00 N ATOM 13 CA PRO B 710 -21.984 -10.982 10.296 1.00 0.00 C ATOM 14 C PRO B 710 -20.721 -10.120 10.358 1.00 0.00 C ATOM 15 O PRO B 710 -19.715 -10.428 9.716 1.00 0.00 O ATOM 16 CB PRO B 710 -22.844 -10.635 9.067 1.00 0.00 C ATOM 17 CG PRO B 710 -23.875 -9.677 9.574 1.00 0.00 C ATOM 18 CD PRO B 710 -24.155 -10.087 11.022 1.00 0.00 C ATOM 0 HA PRO B 710 -21.618 -12.009 10.280 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -22.241 -10.185 8.278 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -23.307 -11.527 8.645 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -23.513 -8.650 9.522 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -24.782 -9.726 8.972 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -24.402 -9.225 11.642 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -24.995 -10.779 11.088 1.00 0.00 H new ATOM 26 N GLU B 711 -20.781 -9.042 11.132 1.00 0.00 N ATOM 27 CA GLU B 711 -19.639 -8.145 11.265 1.00 0.00 C ATOM 28 C GLU B 711 -18.465 -8.862 11.925 1.00 0.00 C ATOM 29 O GLU B 711 -17.312 -8.666 11.538 1.00 0.00 O ATOM 30 CB GLU B 711 -20.030 -6.926 12.103 1.00 0.00 C ATOM 31 CG GLU B 711 -21.043 -6.080 11.329 1.00 0.00 C ATOM 32 CD GLU B 711 -21.508 -4.909 12.186 1.00 0.00 C ATOM 33 OE1 GLU B 711 -20.996 -4.763 13.285 1.00 0.00 O ATOM 34 OE2 GLU B 711 -22.369 -4.173 11.733 1.00 0.00 O ATOM 0 H GLU B 711 -21.602 -8.769 11.673 1.00 0.00 H new ATOM 0 HA GLU B 711 -19.337 -7.822 10.269 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -20.458 -7.246 13.053 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -19.146 -6.332 12.335 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -20.592 -5.711 10.408 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -21.897 -6.693 11.042 1.00 0.00 H new ATOM 41 N CYS B 712 -18.765 -9.691 12.919 1.00 0.00 N ATOM 42 CA CYS B 712 -17.724 -10.429 13.626 1.00 0.00 C ATOM 43 C CYS B 712 -16.990 -11.371 12.676 1.00 0.00 C ATOM 44 O CYS B 712 -15.773 -11.532 12.765 1.00 0.00 O ATOM 45 CB CYS B 712 -18.341 -11.240 14.767 1.00 0.00 C ATOM 46 SG CYS B 712 -19.009 -10.112 16.016 1.00 0.00 S ATOM 0 H CYS B 712 -19.713 -9.868 13.252 1.00 0.00 H new ATOM 0 HA CYS B 712 -17.012 -9.710 14.031 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -19.132 -11.884 14.383 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -17.589 -11.890 15.214 1.00 0.00 H new ATOM 0 HG CYS B 712 -19.536 -10.800 16.985 1.00 0.00 H new ATOM 52 N LEU B 713 -17.739 -11.986 11.769 1.00 0.00 N ATOM 53 CA LEU B 713 -17.151 -12.910 10.807 1.00 0.00 C ATOM 54 C LEU B 713 -16.163 -12.180 9.899 1.00 0.00 C ATOM 55 O LEU B 713 -15.094 -12.702 9.584 1.00 0.00 O ATOM 56 CB LEU B 713 -18.250 -13.552 9.956 1.00 0.00 C ATOM 57 CG LEU B 713 -19.117 -14.478 10.826 1.00 0.00 C ATOM 58 CD1 LEU B 713 -20.335 -14.935 10.015 1.00 0.00 C ATOM 59 CD2 LEU B 713 -18.305 -15.711 11.278 1.00 0.00 C ATOM 0 H LEU B 713 -18.748 -11.863 11.679 1.00 0.00 H new ATOM 0 HA LEU B 713 -16.619 -13.686 11.357 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -18.870 -12.778 9.505 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -17.804 -14.120 9.139 1.00 0.00 H new ATOM 0 HG LEU B 713 -19.443 -13.932 11.711 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -20.954 -15.592 10.626 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -20.918 -14.065 9.713 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -20.000 -15.473 9.128 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -18.934 -16.355 11.893 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -17.965 -16.264 10.402 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -17.442 -15.385 11.859 1.00 0.00 H new ATOM 71 N ILE B 714 -16.530 -10.971 9.479 1.00 0.00 N ATOM 72 CA ILE B 714 -15.666 -10.184 8.603 1.00 0.00 C ATOM 73 C ILE B 714 -14.356 -9.844 9.312 1.00 0.00 C ATOM 74 O ILE B 714 -13.280 -9.943 8.724 1.00 0.00 O ATOM 75 CB ILE B 714 -16.380 -8.892 8.187 1.00 0.00 C ATOM 76 CG1 ILE B 714 -17.569 -9.236 7.288 1.00 0.00 C ATOM 77 CG2 ILE B 714 -15.409 -7.990 7.418 1.00 0.00 C ATOM 78 CD1 ILE B 714 -18.439 -7.994 7.088 1.00 0.00 C ATOM 0 H ILE B 714 -17.410 -10.519 9.728 1.00 0.00 H new ATOM 0 HA ILE B 714 -15.442 -10.774 7.714 1.00 0.00 H new ATOM 0 HB ILE B 714 -16.731 -8.371 9.078 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -17.215 -9.603 6.325 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -18.158 -10.036 7.737 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -15.920 -7.073 7.124 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -14.559 -7.744 8.055 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -15.057 -8.511 6.528 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -19.285 -8.242 6.447 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -18.805 -7.647 8.054 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -17.848 -7.207 6.620 1.00 0.00 H new ATOM 90 N TRP B 715 -14.455 -9.442 10.577 1.00 0.00 N ATOM 91 CA TRP B 715 -13.267 -9.093 11.348 1.00 0.00 C ATOM 92 C TRP B 715 -12.318 -10.284 11.446 1.00 0.00 C ATOM 93 O TRP B 715 -11.111 -10.145 11.253 1.00 0.00 O ATOM 94 CB TRP B 715 -13.664 -8.633 12.759 1.00 0.00 C ATOM 95 CG TRP B 715 -14.242 -7.254 12.699 1.00 0.00 C ATOM 96 CD1 TRP B 715 -15.515 -6.926 13.017 1.00 0.00 C ATOM 97 CD2 TRP B 715 -13.586 -6.018 12.300 1.00 0.00 C ATOM 98 NE1 TRP B 715 -15.682 -5.564 12.840 1.00 0.00 N ATOM 99 CE2 TRP B 715 -14.521 -4.961 12.397 1.00 0.00 C ATOM 100 CE3 TRP B 715 -12.284 -5.714 11.867 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -14.175 -3.647 12.076 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -11.931 -4.396 11.542 1.00 0.00 C ATOM 103 CH2 TRP B 715 -12.875 -3.365 11.646 1.00 0.00 C ATOM 0 H TRP B 715 -15.335 -9.351 11.084 1.00 0.00 H new ATOM 0 HA TRP B 715 -12.757 -8.278 10.834 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -14.391 -9.324 13.185 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -12.792 -8.644 13.414 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -16.276 -7.614 13.354 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -16.555 -5.066 13.015 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -11.549 -6.501 11.784 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -14.905 -2.856 12.159 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -10.927 -4.175 11.210 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -12.598 -2.352 11.394 1.00 0.00 H new ATOM 114 N LYS B 716 -12.870 -11.454 11.746 1.00 0.00 N ATOM 115 CA LYS B 716 -12.059 -12.660 11.870 1.00 0.00 C ATOM 116 C LYS B 716 -11.374 -12.986 10.546 1.00 0.00 C ATOM 117 O LYS B 716 -10.218 -13.408 10.524 1.00 0.00 O ATOM 118 CB LYS B 716 -12.936 -13.840 12.301 1.00 0.00 C ATOM 119 CG LYS B 716 -13.431 -13.617 13.732 1.00 0.00 C ATOM 120 CD LYS B 716 -14.333 -14.783 14.144 1.00 0.00 C ATOM 121 CE LYS B 716 -14.827 -14.569 15.574 1.00 0.00 C ATOM 122 NZ LYS B 716 -15.716 -15.699 15.967 1.00 0.00 N ATOM 0 H LYS B 716 -13.868 -11.593 11.907 1.00 0.00 H new ATOM 0 HA LYS B 716 -11.294 -12.483 12.626 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -13.784 -13.942 11.624 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -12.368 -14.769 12.243 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -12.584 -13.539 14.414 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -13.980 -12.677 13.797 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -15.181 -14.858 13.463 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -13.784 -15.722 14.075 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -13.980 -14.504 16.257 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -15.367 -13.625 15.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -16.052 -15.554 16.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -16.531 -15.741 15.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -15.186 -16.592 15.914 1.00 0.00 H new ATOM 136 N LEU B 717 -12.089 -12.784 9.444 1.00 0.00 N ATOM 137 CA LEU B 717 -11.538 -13.058 8.128 1.00 0.00 C ATOM 138 C LEU B 717 -10.329 -12.167 7.877 1.00 0.00 C ATOM 139 O LEU B 717 -9.327 -12.619 7.328 1.00 0.00 O ATOM 140 CB LEU B 717 -12.604 -12.808 7.053 1.00 0.00 C ATOM 141 CG LEU B 717 -12.026 -13.062 5.652 1.00 0.00 C ATOM 142 CD1 LEU B 717 -11.494 -14.502 5.546 1.00 0.00 C ATOM 143 CD2 LEU B 717 -13.131 -12.846 4.613 1.00 0.00 C ATOM 0 H LEU B 717 -13.047 -12.433 9.439 1.00 0.00 H new ATOM 0 HA LEU B 717 -11.226 -14.101 8.083 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -13.460 -13.460 7.223 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -12.966 -11.782 7.123 1.00 0.00 H new ATOM 0 HG LEU B 717 -11.202 -12.372 5.471 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -11.088 -14.667 4.548 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -10.710 -14.656 6.287 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -12.307 -15.205 5.728 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -12.731 -13.024 3.615 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -13.951 -13.538 4.804 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -13.498 -11.822 4.680 1.00 0.00 H new ATOM 155 N LEU B 718 -10.433 -10.900 8.282 1.00 0.00 N ATOM 156 CA LEU B 718 -9.341 -9.950 8.087 1.00 0.00 C ATOM 157 C LEU B 718 -8.067 -10.463 8.748 1.00 0.00 C ATOM 158 O LEU B 718 -6.980 -10.373 8.177 1.00 0.00 O ATOM 159 CB LEU B 718 -9.715 -8.587 8.685 1.00 0.00 C ATOM 160 CG LEU B 718 -8.546 -7.596 8.535 1.00 0.00 C ATOM 161 CD1 LEU B 718 -8.140 -7.465 7.058 1.00 0.00 C ATOM 162 CD2 LEU B 718 -8.984 -6.228 9.065 1.00 0.00 C ATOM 0 H LEU B 718 -11.256 -10.512 8.743 1.00 0.00 H new ATOM 0 HA LEU B 718 -9.167 -9.839 7.017 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -10.600 -8.194 8.185 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -9.969 -8.702 9.739 1.00 0.00 H new ATOM 0 HG LEU B 718 -7.690 -7.963 9.102 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -7.313 -6.761 6.969 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -7.830 -8.439 6.678 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -8.989 -7.102 6.478 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -8.163 -5.518 8.963 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -9.842 -5.874 8.494 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -9.259 -6.316 10.116 1.00 0.00 H new ATOM 174 N ILE B 719 -8.208 -11.000 9.952 1.00 0.00 N ATOM 175 CA ILE B 719 -7.061 -11.527 10.684 1.00 0.00 C ATOM 176 C ILE B 719 -6.432 -12.688 9.920 1.00 0.00 C ATOM 177 O ILE B 719 -5.210 -12.805 9.843 1.00 0.00 O ATOM 178 CB ILE B 719 -7.490 -11.997 12.074 1.00 0.00 C ATOM 179 CG1 ILE B 719 -8.206 -10.852 12.794 1.00 0.00 C ATOM 180 CG2 ILE B 719 -6.250 -12.405 12.870 1.00 0.00 C ATOM 181 CD1 ILE B 719 -8.804 -11.359 14.107 1.00 0.00 C ATOM 0 H ILE B 719 -9.099 -11.083 10.442 1.00 0.00 H new ATOM 0 HA ILE B 719 -6.324 -10.731 10.789 1.00 0.00 H new ATOM 0 HB ILE B 719 -8.164 -12.849 11.986 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -7.506 -10.041 12.992 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -8.993 -10.446 12.158 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -6.549 -12.741 13.863 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -5.735 -13.215 12.352 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -5.580 -11.550 12.963 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -9.312 -10.540 14.615 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -9.518 -12.155 13.898 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -8.008 -11.744 14.745 1.00 0.00 H new ATOM 193 N THR B 720 -7.279 -13.545 9.362 1.00 0.00 N ATOM 194 CA THR B 720 -6.809 -14.703 8.610 1.00 0.00 C ATOM 195 C THR B 720 -5.884 -14.273 7.474 1.00 0.00 C ATOM 196 O THR B 720 -4.928 -14.976 7.143 1.00 0.00 O ATOM 197 CB THR B 720 -8.000 -15.463 8.024 1.00 0.00 C ATOM 198 OG1 THR B 720 -8.996 -15.626 9.023 1.00 0.00 O ATOM 199 CG2 THR B 720 -7.539 -16.836 7.530 1.00 0.00 C ATOM 0 H THR B 720 -8.294 -13.460 9.416 1.00 0.00 H new ATOM 0 HA THR B 720 -6.257 -15.349 9.293 1.00 0.00 H new ATOM 0 HB THR B 720 -8.414 -14.899 7.188 1.00 0.00 H new ATOM 0 HG1 THR B 720 -9.760 -16.111 8.647 1.00 0.00 H new ATOM 0 HG21 THR B 720 -8.389 -17.377 7.113 1.00 0.00 H new ATOM 0 HG22 THR B 720 -6.777 -16.709 6.761 1.00 0.00 H new ATOM 0 HG23 THR B 720 -7.123 -17.402 8.364 1.00 0.00 H new ATOM 207 N ILE B 721 -6.181 -13.130 6.868 1.00 0.00 N ATOM 208 CA ILE B 721 -5.372 -12.641 5.755 1.00 0.00 C ATOM 209 C ILE B 721 -3.930 -12.418 6.215 1.00 0.00 C ATOM 210 O ILE B 721 -2.983 -12.791 5.523 1.00 0.00 O ATOM 211 CB ILE B 721 -5.939 -11.316 5.239 1.00 0.00 C ATOM 212 CG1 ILE B 721 -7.458 -11.426 5.065 1.00 0.00 C ATOM 213 CG2 ILE B 721 -5.305 -10.984 3.889 1.00 0.00 C ATOM 214 CD1 ILE B 721 -7.845 -12.730 4.363 1.00 0.00 C ATOM 0 H ILE B 721 -6.965 -12.530 7.123 1.00 0.00 H new ATOM 0 HA ILE B 721 -5.392 -13.384 4.958 1.00 0.00 H new ATOM 0 HB ILE B 721 -5.714 -10.530 5.960 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -7.942 -11.378 6.040 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -7.822 -10.577 4.486 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -5.708 -10.041 3.520 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -4.225 -10.896 4.006 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -5.530 -11.778 3.177 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -8.929 -12.777 4.255 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -7.380 -12.765 3.378 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -7.502 -13.578 4.956 1.00 0.00 H new ATOM 226 N HIS B 722 -3.776 -11.808 7.390 1.00 0.00 N ATOM 227 CA HIS B 722 -2.449 -11.537 7.939 1.00 0.00 C ATOM 228 C HIS B 722 -1.672 -12.836 8.128 1.00 0.00 C ATOM 229 O HIS B 722 -0.468 -12.894 7.880 1.00 0.00 O ATOM 230 CB HIS B 722 -2.571 -10.821 9.287 1.00 0.00 C ATOM 231 CG HIS B 722 -1.196 -10.511 9.817 1.00 0.00 C ATOM 232 ND1 HIS B 722 -0.435 -9.458 9.332 1.00 0.00 N ATOM 233 CD2 HIS B 722 -0.430 -11.111 10.788 1.00 0.00 C ATOM 234 CE1 HIS B 722 0.732 -9.457 10.004 1.00 0.00 C ATOM 235 NE2 HIS B 722 0.786 -10.444 10.903 1.00 0.00 N ATOM 0 H HIS B 722 -4.549 -11.494 7.977 1.00 0.00 H new ATOM 0 HA HIS B 722 -1.914 -10.900 7.235 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -3.144 -9.901 9.172 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -3.113 -11.447 9.996 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -0.727 -11.969 11.373 1.00 0.00 H new ATOM 0 HE1 HIS B 722 1.527 -8.745 9.837 1.00 0.00 H new ATOM 0 HE2 HIS B 722 1.554 -10.662 11.538 1.00 0.00 H new ATOM 244 N ASP B 723 -2.368 -13.874 8.578 1.00 0.00 N ATOM 245 CA ASP B 723 -1.734 -15.167 8.804 1.00 0.00 C ATOM 246 C ASP B 723 -1.331 -15.802 7.478 1.00 0.00 C ATOM 247 O ASP B 723 -0.296 -16.464 7.385 1.00 0.00 O ATOM 248 CB ASP B 723 -2.696 -16.097 9.546 1.00 0.00 C ATOM 249 CG ASP B 723 -2.021 -17.436 9.824 1.00 0.00 C ATOM 250 OD1 ASP B 723 -0.918 -17.634 9.342 1.00 0.00 O ATOM 251 OD2 ASP B 723 -2.618 -18.244 10.517 1.00 0.00 O ATOM 0 H ASP B 723 -3.365 -13.846 8.792 1.00 0.00 H new ATOM 0 HA ASP B 723 -0.840 -15.013 9.408 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -3.008 -15.637 10.483 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -3.596 -16.251 8.951 1.00 0.00 H new ATOM 256 N ARG B 724 -2.151 -15.596 6.450 1.00 0.00 N ATOM 257 CA ARG B 724 -1.862 -16.157 5.132 1.00 0.00 C ATOM 258 C ARG B 724 -0.890 -15.262 4.371 1.00 0.00 C ATOM 259 O ARG B 724 -1.270 -14.217 3.845 1.00 0.00 O ATOM 260 CB ARG B 724 -3.156 -16.303 4.329 1.00 0.00 C ATOM 261 CG ARG B 724 -4.085 -17.292 5.033 1.00 0.00 C ATOM 262 CD ARG B 724 -5.403 -17.389 4.265 1.00 0.00 C ATOM 263 NE ARG B 724 -5.173 -17.981 2.951 1.00 0.00 N ATOM 264 CZ ARG B 724 -5.158 -19.300 2.782 1.00 0.00 C ATOM 265 NH1 ARG B 724 -5.350 -20.090 3.803 1.00 0.00 N ATOM 266 NH2 ARG B 724 -4.949 -19.805 1.597 1.00 0.00 N ATOM 0 H ARG B 724 -3.012 -15.051 6.502 1.00 0.00 H new ATOM 0 HA ARG B 724 -1.407 -17.138 5.269 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -3.646 -15.335 4.230 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -2.933 -16.652 3.321 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -3.613 -18.273 5.091 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -4.271 -16.967 6.057 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -6.116 -17.993 4.825 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -5.843 -16.398 4.154 1.00 0.00 H new ATOM 0 HE ARG B 724 -5.021 -17.372 2.147 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -5.511 -19.696 4.730 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -5.339 -21.102 3.674 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -4.797 -19.188 0.799 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -4.938 -20.817 1.469 1.00 0.00 H new ATOM 280 N LYS B 725 0.367 -15.688 4.315 1.00 0.00 N ATOM 281 CA LYS B 725 1.396 -14.929 3.616 1.00 0.00 C ATOM 282 C LYS B 725 1.090 -14.855 2.123 1.00 0.00 C ATOM 283 O LYS B 725 1.403 -13.864 1.464 1.00 0.00 O ATOM 284 CB LYS B 725 2.766 -15.577 3.831 1.00 0.00 C ATOM 285 CG LYS B 725 3.174 -15.434 5.300 1.00 0.00 C ATOM 286 CD LYS B 725 4.540 -16.086 5.519 1.00 0.00 C ATOM 287 CE LYS B 725 4.947 -15.940 6.988 1.00 0.00 C ATOM 288 NZ LYS B 725 6.274 -16.584 7.203 1.00 0.00 N ATOM 0 H LYS B 725 0.697 -16.553 4.744 1.00 0.00 H new ATOM 0 HA LYS B 725 1.409 -13.917 4.021 1.00 0.00 H new ATOM 0 HB2 LYS B 725 2.729 -16.630 3.554 1.00 0.00 H new ATOM 0 HB3 LYS B 725 3.509 -15.104 3.189 1.00 0.00 H new ATOM 0 HG2 LYS B 725 3.214 -14.380 5.576 1.00 0.00 H new ATOM 0 HG3 LYS B 725 2.429 -15.903 5.942 1.00 0.00 H new ATOM 0 HD2 LYS B 725 4.500 -17.140 5.245 1.00 0.00 H new ATOM 0 HD3 LYS B 725 5.285 -15.618 4.876 1.00 0.00 H new ATOM 0 HE2 LYS B 725 4.994 -14.886 7.260 1.00 0.00 H new ATOM 0 HE3 LYS B 725 4.198 -16.402 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 6.550 -16.485 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 6.214 -17.593 6.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 6.985 -16.124 6.599 1.00 0.00 H new ATOM 302 N GLU B 726 0.487 -15.916 1.594 1.00 0.00 N ATOM 303 CA GLU B 726 0.157 -15.962 0.175 1.00 0.00 C ATOM 304 C GLU B 726 -0.749 -14.794 -0.200 1.00 0.00 C ATOM 305 O GLU B 726 -0.537 -14.136 -1.219 1.00 0.00 O ATOM 306 CB GLU B 726 -0.547 -17.284 -0.148 1.00 0.00 C ATOM 307 CG GLU B 726 -0.793 -17.384 -1.655 1.00 0.00 C ATOM 308 CD GLU B 726 -1.446 -18.721 -1.986 1.00 0.00 C ATOM 309 OE1 GLU B 726 -1.432 -19.593 -1.133 1.00 0.00 O ATOM 310 OE2 GLU B 726 -1.951 -18.854 -3.088 1.00 0.00 O ATOM 0 H GLU B 726 0.220 -16.747 2.121 1.00 0.00 H new ATOM 0 HA GLU B 726 1.079 -15.889 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU B 726 0.063 -18.123 0.187 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -1.494 -17.344 0.389 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -1.434 -16.565 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU B 726 0.150 -17.286 -2.194 1.00 0.00 H new ATOM 317 N PHE B 727 -1.752 -14.532 0.632 1.00 0.00 N ATOM 318 CA PHE B 727 -2.671 -13.433 0.376 1.00 0.00 C ATOM 319 C PHE B 727 -1.925 -12.097 0.406 1.00 0.00 C ATOM 320 O PHE B 727 -2.147 -11.235 -0.443 1.00 0.00 O ATOM 321 CB PHE B 727 -3.791 -13.438 1.432 1.00 0.00 C ATOM 322 CG PHE B 727 -4.909 -14.366 0.997 1.00 0.00 C ATOM 323 CD1 PHE B 727 -4.650 -15.727 0.800 1.00 0.00 C ATOM 324 CD2 PHE B 727 -6.201 -13.862 0.787 1.00 0.00 C ATOM 325 CE1 PHE B 727 -5.680 -16.583 0.393 1.00 0.00 C ATOM 326 CE2 PHE B 727 -7.229 -14.720 0.379 1.00 0.00 C ATOM 327 CZ PHE B 727 -6.969 -16.080 0.183 1.00 0.00 C ATOM 0 H PHE B 727 -1.947 -15.062 1.482 1.00 0.00 H new ATOM 0 HA PHE B 727 -3.110 -13.562 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -3.393 -13.760 2.394 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -4.178 -12.428 1.569 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -3.656 -16.117 0.962 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -6.403 -12.812 0.940 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -5.480 -17.633 0.241 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -8.223 -14.332 0.216 1.00 0.00 H new ATOM 0 HZ PHE B 727 -7.763 -16.742 -0.130 1.00 0.00 H new ATOM 337 N ALA B 728 -1.047 -11.931 1.391 1.00 0.00 N ATOM 338 CA ALA B 728 -0.288 -10.694 1.520 1.00 0.00 C ATOM 339 C ALA B 728 0.539 -10.432 0.266 1.00 0.00 C ATOM 340 O ALA B 728 0.585 -9.310 -0.229 1.00 0.00 O ATOM 341 CB ALA B 728 0.638 -10.776 2.737 1.00 0.00 C ATOM 0 H ALA B 728 -0.846 -12.631 2.105 1.00 0.00 H new ATOM 0 HA ALA B 728 -0.992 -9.872 1.651 1.00 0.00 H new ATOM 0 HB1 ALA B 728 1.203 -9.848 2.828 1.00 0.00 H new ATOM 0 HB2 ALA B 728 0.043 -10.928 3.637 1.00 0.00 H new ATOM 0 HB3 ALA B 728 1.329 -11.610 2.613 1.00 0.00 H new ATOM 347 N LYS B 729 1.187 -11.473 -0.249 1.00 0.00 N ATOM 348 CA LYS B 729 1.997 -11.336 -1.436 1.00 0.00 C ATOM 349 C LYS B 729 1.139 -10.893 -2.617 1.00 0.00 C ATOM 350 O LYS B 729 1.526 -10.010 -3.380 1.00 0.00 O ATOM 351 CB LYS B 729 2.657 -12.679 -1.737 1.00 0.00 C ATOM 352 CG LYS B 729 3.604 -12.508 -2.907 1.00 0.00 C ATOM 353 CD LYS B 729 4.316 -13.831 -3.195 1.00 0.00 C ATOM 354 CE LYS B 729 5.276 -13.646 -4.371 1.00 0.00 C ATOM 355 NZ LYS B 729 6.347 -12.680 -3.993 1.00 0.00 N ATOM 0 H LYS B 729 1.162 -12.415 0.142 1.00 0.00 H new ATOM 0 HA LYS B 729 2.763 -10.578 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS B 729 3.199 -13.037 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS B 729 1.900 -13.427 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS B 729 3.052 -12.182 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS B 729 4.336 -11.732 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS B 729 4.864 -14.161 -2.313 1.00 0.00 H new ATOM 0 HD3 LYS B 729 3.586 -14.607 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS B 729 5.717 -14.604 -4.648 1.00 0.00 H new ATOM 0 HE3 LYS B 729 4.733 -13.281 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 7.276 -13.079 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 6.207 -11.788 -4.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 6.306 -12.499 -2.970 1.00 0.00 H new ATOM 369 N PHE B 730 -0.032 -11.508 -2.758 1.00 0.00 N ATOM 370 CA PHE B 730 -0.938 -11.167 -3.841 1.00 0.00 C ATOM 371 C PHE B 730 -1.355 -9.702 -3.747 1.00 0.00 C ATOM 372 O PHE B 730 -1.375 -8.986 -4.748 1.00 0.00 O ATOM 373 CB PHE B 730 -2.175 -12.061 -3.782 1.00 0.00 C ATOM 374 CG PHE B 730 -3.112 -11.684 -4.901 1.00 0.00 C ATOM 375 CD1 PHE B 730 -2.830 -12.084 -6.210 1.00 0.00 C ATOM 376 CD2 PHE B 730 -4.259 -10.929 -4.630 1.00 0.00 C ATOM 377 CE1 PHE B 730 -3.693 -11.730 -7.251 1.00 0.00 C ATOM 378 CE2 PHE B 730 -5.123 -10.575 -5.670 1.00 0.00 C ATOM 379 CZ PHE B 730 -4.841 -10.974 -6.981 1.00 0.00 C ATOM 0 H PHE B 730 -0.371 -12.242 -2.136 1.00 0.00 H new ATOM 0 HA PHE B 730 -0.423 -11.324 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -1.886 -13.108 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -2.674 -11.948 -2.820 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -1.945 -12.667 -6.417 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -4.476 -10.620 -3.618 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -3.475 -12.039 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -6.009 -9.993 -5.462 1.00 0.00 H new ATOM 0 HZ PHE B 730 -5.508 -10.699 -7.785 1.00 0.00 H new ATOM 389 N GLU B 731 -1.687 -9.263 -2.535 1.00 0.00 N ATOM 390 CA GLU B 731 -2.103 -7.881 -2.321 1.00 0.00 C ATOM 391 C GLU B 731 -1.017 -6.911 -2.773 1.00 0.00 C ATOM 392 O GLU B 731 -1.301 -5.921 -3.446 1.00 0.00 O ATOM 393 CB GLU B 731 -2.413 -7.654 -0.840 1.00 0.00 C ATOM 394 CG GLU B 731 -3.703 -8.385 -0.464 1.00 0.00 C ATOM 395 CD GLU B 731 -3.963 -8.240 1.031 1.00 0.00 C ATOM 396 OE1 GLU B 731 -3.166 -7.596 1.692 1.00 0.00 O ATOM 397 OE2 GLU B 731 -4.959 -8.774 1.493 1.00 0.00 O ATOM 0 H GLU B 731 -1.676 -9.839 -1.693 1.00 0.00 H new ATOM 0 HA GLU B 731 -3.000 -7.698 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -1.587 -8.015 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -2.517 -6.588 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -4.541 -7.977 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -3.624 -9.440 -0.728 1.00 0.00 H new ATOM 404 N GLU B 732 0.229 -7.196 -2.404 1.00 0.00 N ATOM 405 CA GLU B 732 1.337 -6.334 -2.784 1.00 0.00 C ATOM 406 C GLU B 732 1.477 -6.281 -4.302 1.00 0.00 C ATOM 407 O GLU B 732 1.677 -5.213 -4.881 1.00 0.00 O ATOM 408 CB GLU B 732 2.636 -6.857 -2.172 1.00 0.00 C ATOM 409 CG GLU B 732 2.566 -6.724 -0.653 1.00 0.00 C ATOM 410 CD GLU B 732 3.842 -7.269 -0.020 1.00 0.00 C ATOM 411 OE1 GLU B 732 4.723 -7.672 -0.763 1.00 0.00 O ATOM 412 OE2 GLU B 732 3.921 -7.277 1.197 1.00 0.00 O ATOM 0 H GLU B 732 0.492 -8.010 -1.848 1.00 0.00 H new ATOM 0 HA GLU B 732 1.136 -5.329 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU B 732 2.789 -7.900 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU B 732 3.486 -6.295 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU B 732 2.432 -5.678 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU B 732 1.701 -7.267 -0.272 1.00 0.00 H new ATOM 419 N GLU B 733 1.368 -7.441 -4.941 1.00 0.00 N ATOM 420 CA GLU B 733 1.483 -7.515 -6.393 1.00 0.00 C ATOM 421 C GLU B 733 0.310 -6.806 -7.064 1.00 0.00 C ATOM 422 O GLU B 733 0.474 -6.164 -8.099 1.00 0.00 O ATOM 423 CB GLU B 733 1.527 -8.979 -6.843 1.00 0.00 C ATOM 424 CG GLU B 733 2.804 -9.644 -6.320 1.00 0.00 C ATOM 425 CD GLU B 733 4.033 -9.019 -6.975 1.00 0.00 C ATOM 426 OE1 GLU B 733 3.878 -8.411 -8.021 1.00 0.00 O ATOM 427 OE2 GLU B 733 5.110 -9.157 -6.418 1.00 0.00 O ATOM 0 H GLU B 733 1.202 -8.336 -4.481 1.00 0.00 H new ATOM 0 HA GLU B 733 2.407 -7.018 -6.689 1.00 0.00 H new ATOM 0 HB2 GLU B 733 0.651 -9.510 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU B 733 1.496 -9.036 -7.931 1.00 0.00 H new ATOM 0 HG2 GLU B 733 2.864 -9.531 -5.237 1.00 0.00 H new ATOM 0 HG3 GLU B 733 2.777 -10.714 -6.528 1.00 0.00 H new ATOM 434 N ARG B 734 -0.875 -6.930 -6.472 1.00 0.00 N ATOM 435 CA ARG B 734 -2.058 -6.300 -7.027 1.00 0.00 C ATOM 436 C ARG B 734 -1.891 -4.785 -7.064 1.00 0.00 C ATOM 437 O ARG B 734 -2.236 -4.137 -8.051 1.00 0.00 O ATOM 438 CB ARG B 734 -3.262 -6.659 -6.164 1.00 0.00 C ATOM 439 CG ARG B 734 -4.530 -6.095 -6.794 1.00 0.00 C ATOM 440 CD ARG B 734 -5.733 -6.524 -5.963 1.00 0.00 C ATOM 441 NE ARG B 734 -5.695 -5.895 -4.648 1.00 0.00 N ATOM 442 CZ ARG B 734 -6.608 -6.180 -3.725 1.00 0.00 C ATOM 443 NH1 ARG B 734 -7.563 -7.027 -3.995 1.00 0.00 N ATOM 444 NH2 ARG B 734 -6.552 -5.610 -2.552 1.00 0.00 N ATOM 0 H ARG B 734 -1.036 -7.458 -5.614 1.00 0.00 H new ATOM 0 HA ARG B 734 -2.207 -6.657 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -3.343 -7.742 -6.067 1.00 0.00 H new ATOM 0 HB3 ARG B 734 -3.134 -6.258 -5.159 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -4.475 -5.007 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -4.633 -6.454 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -6.654 -6.250 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -5.739 -7.609 -5.854 1.00 0.00 H new ATOM 0 HE ARG B 734 -4.956 -5.226 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -7.608 -7.469 -4.913 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -8.265 -7.247 -3.288 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -5.807 -4.945 -2.343 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -7.253 -5.829 -1.844 1.00 0.00 H new ATOM 458 N ALA B 735 -1.362 -4.230 -5.979 1.00 0.00 N ATOM 459 CA ALA B 735 -1.158 -2.788 -5.888 1.00 0.00 C ATOM 460 C ALA B 735 -0.202 -2.309 -6.974 1.00 0.00 C ATOM 461 O ALA B 735 -0.375 -1.225 -7.532 1.00 0.00 O ATOM 462 CB ALA B 735 -0.591 -2.424 -4.515 1.00 0.00 C ATOM 0 H ALA B 735 -1.068 -4.753 -5.154 1.00 0.00 H new ATOM 0 HA ALA B 735 -2.122 -2.298 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA B 735 -0.442 -1.346 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA B 735 -1.289 -2.736 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA B 735 0.363 -2.930 -4.370 1.00 0.00 H new ATOM 468 N ARG B 736 0.802 -3.122 -7.272 1.00 0.00 N ATOM 469 CA ARG B 736 1.770 -2.772 -8.292 1.00 0.00 C ATOM 470 C ARG B 736 1.080 -2.629 -9.644 1.00 0.00 C ATOM 471 O ARG B 736 1.444 -1.773 -10.452 1.00 0.00 O ATOM 472 CB ARG B 736 2.845 -3.856 -8.363 1.00 0.00 C ATOM 473 CG ARG B 736 3.725 -3.780 -7.113 1.00 0.00 C ATOM 474 CD ARG B 736 4.806 -4.860 -7.177 1.00 0.00 C ATOM 475 NE ARG B 736 5.643 -4.807 -5.982 1.00 0.00 N ATOM 476 CZ ARG B 736 6.816 -5.431 -5.936 1.00 0.00 C ATOM 477 NH1 ARG B 736 7.241 -6.101 -6.971 1.00 0.00 N ATOM 478 NH2 ARG B 736 7.543 -5.373 -4.853 1.00 0.00 N ATOM 0 H ARG B 736 0.964 -4.023 -6.822 1.00 0.00 H new ATOM 0 HA ARG B 736 2.234 -1.819 -8.037 1.00 0.00 H new ATOM 0 HB2 ARG B 736 2.381 -4.840 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG B 736 3.453 -3.723 -9.258 1.00 0.00 H new ATOM 0 HG2 ARG B 736 4.186 -2.795 -7.040 1.00 0.00 H new ATOM 0 HG3 ARG B 736 3.116 -3.914 -6.219 1.00 0.00 H new ATOM 0 HD2 ARG B 736 4.343 -5.843 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG B 736 5.420 -4.718 -8.066 1.00 0.00 H new ATOM 0 HE ARG B 736 5.322 -4.282 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG B 736 6.673 -6.147 -7.817 1.00 0.00 H new ATOM 0 HH12 ARG B 736 8.141 -6.579 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG B 736 7.211 -4.849 -4.043 1.00 0.00 H new ATOM 0 HH22 ARG B 736 8.443 -5.851 -4.817 1.00 0.00 H new ATOM 598 N ASN B 744 0.662 7.162 -6.363 1.00 0.00 N ATOM 599 CA ASN B 744 -0.254 7.919 -5.520 1.00 0.00 C ATOM 600 C ASN B 744 0.186 9.387 -5.434 1.00 0.00 C ATOM 601 O ASN B 744 1.380 9.681 -5.462 1.00 0.00 O ATOM 602 CB ASN B 744 -0.310 7.316 -4.114 1.00 0.00 C ATOM 603 CG ASN B 744 -1.095 6.005 -4.139 1.00 0.00 C ATOM 604 OD1 ASN B 744 -1.520 5.556 -5.204 1.00 0.00 O ATOM 605 ND2 ASN B 744 -1.322 5.366 -3.024 1.00 0.00 N ATOM 0 HA ASN B 744 -1.247 7.870 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN B 744 0.700 7.138 -3.745 1.00 0.00 H new ATOM 0 HB3 ASN B 744 -0.781 8.019 -3.426 1.00 0.00 H new ATOM 0 HD21 ASN B 744 -1.852 4.494 -3.034 1.00 0.00 H new ATOM 0 HD22 ASN B 744 -0.970 5.738 -2.142 1.00 0.00 H new ATOM 612 N PRO B 745 -0.744 10.308 -5.331 1.00 0.00 N ATOM 613 CA PRO B 745 -0.429 11.760 -5.244 1.00 0.00 C ATOM 614 C PRO B 745 0.702 12.046 -4.271 1.00 0.00 C ATOM 615 O PRO B 745 1.484 12.979 -4.457 1.00 0.00 O ATOM 616 CB PRO B 745 -1.736 12.388 -4.736 1.00 0.00 C ATOM 617 CG PRO B 745 -2.827 11.446 -5.141 1.00 0.00 C ATOM 618 CD PRO B 745 -2.193 10.060 -5.299 1.00 0.00 C ATOM 0 HA PRO B 745 -0.095 12.158 -6.202 1.00 0.00 H new ATOM 0 HB2 PRO B 745 -1.713 12.517 -3.654 1.00 0.00 H new ATOM 0 HB3 PRO B 745 -1.890 13.375 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO B 745 -3.616 11.425 -4.389 1.00 0.00 H new ATOM 0 HG3 PRO B 745 -3.286 11.768 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO B 745 -2.463 9.405 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO B 745 -2.531 9.573 -6.214 1.00 0.00 H new ATOM 626 N LEU B 746 0.760 11.249 -3.228 1.00 0.00 N ATOM 627 CA LEU B 746 1.781 11.428 -2.209 1.00 0.00 C ATOM 628 C LEU B 746 3.168 11.309 -2.843 1.00 0.00 C ATOM 629 O LEU B 746 4.107 12.001 -2.444 1.00 0.00 O ATOM 630 CB LEU B 746 1.602 10.367 -1.105 1.00 0.00 C ATOM 631 CG LEU B 746 2.041 10.936 0.249 1.00 0.00 C ATOM 632 CD1 LEU B 746 1.924 9.851 1.322 1.00 0.00 C ATOM 633 CD2 LEU B 746 3.493 11.432 0.172 1.00 0.00 C ATOM 0 H LEU B 746 0.119 10.474 -3.059 1.00 0.00 H new ATOM 0 HA LEU B 746 1.683 12.418 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU B 746 0.559 10.055 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU B 746 2.189 9.480 -1.343 1.00 0.00 H new ATOM 0 HG LEU B 746 1.395 11.776 0.507 1.00 0.00 H new ATOM 0 HD11 LEU B 746 2.236 10.256 2.285 1.00 0.00 H new ATOM 0 HD12 LEU B 746 0.889 9.515 1.388 1.00 0.00 H new ATOM 0 HD13 LEU B 746 2.563 9.008 1.058 1.00 0.00 H new ATOM 0 HD21 LEU B 746 3.792 11.834 1.140 1.00 0.00 H new ATOM 0 HD22 LEU B 746 4.147 10.602 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU B 746 3.571 12.213 -0.584 1.00 0.00 H new ATOM 645 N TYR B 747 3.290 10.432 -3.831 1.00 0.00 N ATOM 646 CA TYR B 747 4.570 10.237 -4.505 1.00 0.00 C ATOM 647 C TYR B 747 5.037 11.532 -5.156 1.00 0.00 C ATOM 648 O TYR B 747 6.198 11.921 -5.037 1.00 0.00 O ATOM 649 CB TYR B 747 4.432 9.158 -5.579 1.00 0.00 C ATOM 650 CG TYR B 747 5.741 9.010 -6.322 1.00 0.00 C ATOM 651 CD1 TYR B 747 6.803 8.310 -5.735 1.00 0.00 C ATOM 652 CD2 TYR B 747 5.894 9.572 -7.596 1.00 0.00 C ATOM 653 CE1 TYR B 747 8.016 8.173 -6.420 1.00 0.00 C ATOM 654 CE2 TYR B 747 7.108 9.434 -8.281 1.00 0.00 C ATOM 655 CZ TYR B 747 8.168 8.734 -7.693 1.00 0.00 C ATOM 656 OH TYR B 747 9.363 8.597 -8.369 1.00 0.00 O ATOM 0 H TYR B 747 2.529 9.850 -4.181 1.00 0.00 H new ATOM 0 HA TYR B 747 5.305 9.928 -3.762 1.00 0.00 H new ATOM 0 HB2 TYR B 747 4.153 8.209 -5.121 1.00 0.00 H new ATOM 0 HB3 TYR B 747 3.636 9.423 -6.274 1.00 0.00 H new ATOM 0 HD1 TYR B 747 6.686 7.876 -4.753 1.00 0.00 H new ATOM 0 HD2 TYR B 747 5.076 10.112 -8.050 1.00 0.00 H new ATOM 0 HE1 TYR B 747 8.835 7.634 -5.966 1.00 0.00 H new ATOM 0 HE2 TYR B 747 7.226 9.868 -9.263 1.00 0.00 H new ATOM 0 HH TYR B 747 9.300 9.044 -9.239 1.00 0.00 H new ATOM 666 N LYS B 748 4.119 12.185 -5.849 1.00 0.00 N ATOM 667 CA LYS B 748 4.430 13.438 -6.533 1.00 0.00 C ATOM 668 C LYS B 748 4.829 14.506 -5.527 1.00 0.00 C ATOM 669 O LYS B 748 5.753 15.286 -5.762 1.00 0.00 O ATOM 670 CB LYS B 748 3.211 13.917 -7.325 1.00 0.00 C ATOM 671 CG LYS B 748 2.889 12.898 -8.417 1.00 0.00 C ATOM 672 CD LYS B 748 1.610 13.309 -9.159 1.00 0.00 C ATOM 673 CE LYS B 748 1.907 14.443 -10.147 1.00 0.00 C ATOM 674 NZ LYS B 748 0.737 14.631 -11.048 1.00 0.00 N ATOM 0 H LYS B 748 3.154 11.873 -5.955 1.00 0.00 H new ATOM 0 HA LYS B 748 5.262 13.262 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS B 748 2.355 14.038 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS B 748 3.411 14.892 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS B 748 3.720 12.830 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS B 748 2.762 11.909 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS B 748 1.200 12.451 -9.692 1.00 0.00 H new ATOM 0 HD3 LYS B 748 0.854 13.631 -8.443 1.00 0.00 H new ATOM 0 HE2 LYS B 748 2.116 15.366 -9.606 1.00 0.00 H new ATOM 0 HE3 LYS B 748 2.796 14.208 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 0.936 15.400 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 0.558 13.751 -11.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 -0.101 14.874 -10.482 1.00 0.00 H new ATOM 688 N GLU B 749 4.120 14.539 -4.410 1.00 0.00 N ATOM 689 CA GLU B 749 4.400 15.523 -3.368 1.00 0.00 C ATOM 690 C GLU B 749 5.822 15.361 -2.846 1.00 0.00 C ATOM 691 O GLU B 749 6.518 16.344 -2.590 1.00 0.00 O ATOM 692 CB GLU B 749 3.405 15.355 -2.214 1.00 0.00 C ATOM 693 CG GLU B 749 3.406 16.610 -1.332 1.00 0.00 C ATOM 694 CD GLU B 749 4.723 16.717 -0.571 1.00 0.00 C ATOM 695 OE1 GLU B 749 5.267 15.683 -0.217 1.00 0.00 O ATOM 696 OE2 GLU B 749 5.170 17.831 -0.352 1.00 0.00 O ATOM 0 H GLU B 749 3.351 13.902 -4.199 1.00 0.00 H new ATOM 0 HA GLU B 749 4.296 16.520 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU B 749 2.404 15.179 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU B 749 3.671 14.482 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU B 749 3.261 17.497 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU B 749 2.574 16.570 -0.629 1.00 0.00 H new ATOM 703 N ALA B 750 6.247 14.116 -2.694 1.00 0.00 N ATOM 704 CA ALA B 750 7.591 13.832 -2.205 1.00 0.00 C ATOM 705 C ALA B 750 8.637 14.302 -3.211 1.00 0.00 C ATOM 706 O ALA B 750 9.697 14.798 -2.836 1.00 0.00 O ATOM 707 CB ALA B 750 7.754 12.331 -1.957 1.00 0.00 C ATOM 0 H ALA B 750 5.686 13.289 -2.900 1.00 0.00 H new ATOM 0 HA ALA B 750 7.737 14.370 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA B 750 8.761 12.130 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA B 750 7.027 12.004 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA B 750 7.590 11.788 -2.888 1.00 0.00 H new ATOM 713 N THR B 751 8.326 14.138 -4.491 1.00 0.00 N ATOM 714 CA THR B 751 9.240 14.542 -5.553 1.00 0.00 C ATOM 715 C THR B 751 9.501 16.041 -5.494 1.00 0.00 C ATOM 716 O THR B 751 10.633 16.492 -5.669 1.00 0.00 O ATOM 717 CB THR B 751 8.656 14.171 -6.915 1.00 0.00 C ATOM 718 OG1 THR B 751 8.192 12.829 -6.878 1.00 0.00 O ATOM 719 CG2 THR B 751 9.733 14.310 -7.990 1.00 0.00 C ATOM 0 H THR B 751 7.451 13.729 -4.819 1.00 0.00 H new ATOM 0 HA THR B 751 10.185 14.018 -5.412 1.00 0.00 H new ATOM 0 HB THR B 751 7.826 14.838 -7.149 1.00 0.00 H new ATOM 0 HG1 THR B 751 7.815 12.589 -7.750 1.00 0.00 H new ATOM 0 HG21 THR B 751 9.314 14.045 -8.961 1.00 0.00 H new ATOM 0 HG22 THR B 751 10.089 15.340 -8.017 1.00 0.00 H new ATOM 0 HG23 THR B 751 10.565 13.645 -7.760 1.00 0.00 H new ATOM 727 N SER B 752 8.447 16.808 -5.251 1.00 0.00 N ATOM 728 CA SER B 752 8.575 18.256 -5.177 1.00 0.00 C ATOM 729 C SER B 752 9.579 18.648 -4.101 1.00 0.00 C ATOM 730 O SER B 752 10.404 19.540 -4.300 1.00 0.00 O ATOM 731 CB SER B 752 7.216 18.882 -4.860 1.00 0.00 C ATOM 732 OG SER B 752 7.403 20.234 -4.461 1.00 0.00 O ATOM 0 H SER B 752 7.501 16.455 -5.103 1.00 0.00 H new ATOM 0 HA SER B 752 8.929 18.622 -6.141 1.00 0.00 H new ATOM 0 HB2 SER B 752 6.568 18.835 -5.735 1.00 0.00 H new ATOM 0 HB3 SER B 752 6.721 18.322 -4.067 1.00 0.00 H new ATOM 0 HG SER B 752 6.534 20.639 -4.259 1.00 0.00 H new ATOM 738 N THR B 753 9.506 17.975 -2.960 1.00 0.00 N ATOM 739 CA THR B 753 10.418 18.261 -1.857 1.00 0.00 C ATOM 740 C THR B 753 11.855 17.942 -2.247 1.00 0.00 C ATOM 741 O THR B 753 12.763 18.736 -2.012 1.00 0.00 O ATOM 742 CB THR B 753 10.025 17.444 -0.624 1.00 0.00 C ATOM 743 OG1 THR B 753 8.721 17.824 -0.204 1.00 0.00 O ATOM 744 CG2 THR B 753 11.025 17.704 0.502 1.00 0.00 C ATOM 0 H THR B 753 8.831 17.233 -2.773 1.00 0.00 H new ATOM 0 HA THR B 753 10.348 19.323 -1.624 1.00 0.00 H new ATOM 0 HB THR B 753 10.032 16.383 -0.872 1.00 0.00 H new ATOM 0 HG1 THR B 753 8.466 17.301 0.585 1.00 0.00 H new ATOM 0 HG21 THR B 753 10.744 17.122 1.380 1.00 0.00 H new ATOM 0 HG22 THR B 753 12.023 17.412 0.177 1.00 0.00 H new ATOM 0 HG23 THR B 753 11.022 18.764 0.754 1.00 0.00 H new ATOM 752 N PHE B 754 12.048 16.776 -2.850 1.00 0.00 N ATOM 753 CA PHE B 754 13.369 16.352 -3.281 1.00 0.00 C ATOM 754 C PHE B 754 13.917 17.320 -4.325 1.00 0.00 C ATOM 755 O PHE B 754 15.118 17.580 -4.375 1.00 0.00 O ATOM 756 CB PHE B 754 13.283 14.927 -3.857 1.00 0.00 C ATOM 757 CG PHE B 754 13.485 13.903 -2.756 1.00 0.00 C ATOM 758 CD1 PHE B 754 12.563 13.814 -1.706 1.00 0.00 C ATOM 759 CD2 PHE B 754 14.593 13.045 -2.788 1.00 0.00 C ATOM 760 CE1 PHE B 754 12.749 12.870 -0.689 1.00 0.00 C ATOM 761 CE2 PHE B 754 14.777 12.101 -1.772 1.00 0.00 C ATOM 762 CZ PHE B 754 13.855 12.013 -0.723 1.00 0.00 C ATOM 0 H PHE B 754 11.304 16.108 -3.051 1.00 0.00 H new ATOM 0 HA PHE B 754 14.047 16.351 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE B 754 12.313 14.776 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE B 754 14.039 14.794 -4.631 1.00 0.00 H new ATOM 0 HD1 PHE B 754 11.708 14.474 -1.681 1.00 0.00 H new ATOM 0 HD2 PHE B 754 15.305 13.113 -3.597 1.00 0.00 H new ATOM 0 HE1 PHE B 754 12.039 12.803 0.122 1.00 0.00 H new ATOM 0 HE2 PHE B 754 15.631 11.440 -1.797 1.00 0.00 H new ATOM 0 HZ PHE B 754 13.997 11.284 0.061 1.00 0.00 H new ATOM 772 N THR B 755 13.029 17.852 -5.155 1.00 0.00 N ATOM 773 CA THR B 755 13.445 18.787 -6.189 1.00 0.00 C ATOM 774 C THR B 755 14.139 19.987 -5.559 1.00 0.00 C ATOM 775 O THR B 755 15.157 20.465 -6.057 1.00 0.00 O ATOM 776 CB THR B 755 12.232 19.254 -6.998 1.00 0.00 C ATOM 777 OG1 THR B 755 11.452 18.127 -7.373 1.00 0.00 O ATOM 778 CG2 THR B 755 12.708 19.984 -8.254 1.00 0.00 C ATOM 0 H THR B 755 12.029 17.655 -5.133 1.00 0.00 H new ATOM 0 HA THR B 755 14.143 18.282 -6.857 1.00 0.00 H new ATOM 0 HB THR B 755 11.628 19.929 -6.392 1.00 0.00 H new ATOM 0 HG1 THR B 755 10.906 17.839 -6.612 1.00 0.00 H new ATOM 0 HG21 THR B 755 11.845 20.317 -8.831 1.00 0.00 H new ATOM 0 HG22 THR B 755 13.308 20.848 -7.967 1.00 0.00 H new ATOM 0 HG23 THR B 755 13.311 19.309 -8.861 1.00 0.00 H new ATOM 786 N ASN B 756 13.581 20.472 -4.462 1.00 0.00 N ATOM 787 CA ASN B 756 14.159 21.618 -3.776 1.00 0.00 C ATOM 788 C ASN B 756 15.555 21.294 -3.233 1.00 0.00 C ATOM 789 O ASN B 756 16.474 22.099 -3.363 1.00 0.00 O ATOM 790 CB ASN B 756 13.251 22.042 -2.617 1.00 0.00 C ATOM 791 CG ASN B 756 13.868 23.224 -1.876 1.00 0.00 C ATOM 792 OD1 ASN B 756 14.398 23.061 -0.777 1.00 0.00 O ATOM 793 ND2 ASN B 756 13.832 24.413 -2.416 1.00 0.00 N ATOM 0 H ASN B 756 12.737 20.095 -4.030 1.00 0.00 H new ATOM 0 HA ASN B 756 14.248 22.431 -4.496 1.00 0.00 H new ATOM 0 HB2 ASN B 756 12.266 22.314 -2.997 1.00 0.00 H new ATOM 0 HB3 ASN B 756 13.109 21.207 -1.931 1.00 0.00 H new ATOM 0 HD21 ASN B 756 14.243 25.208 -1.927 1.00 0.00 H new ATOM 0 HD22 ASN B 756 13.392 24.546 -3.327 1.00 0.00 H new ATOM 800 N ILE B 757 15.705 20.129 -2.607 1.00 0.00 N ATOM 801 CA ILE B 757 16.999 19.740 -2.037 1.00 0.00 C ATOM 802 C ILE B 757 18.009 19.423 -3.127 1.00 0.00 C ATOM 803 O ILE B 757 19.161 19.853 -3.081 1.00 0.00 O ATOM 804 CB ILE B 757 16.815 18.507 -1.155 1.00 0.00 C ATOM 805 CG1 ILE B 757 15.650 18.778 -0.206 1.00 0.00 C ATOM 806 CG2 ILE B 757 18.096 18.257 -0.345 1.00 0.00 C ATOM 807 CD1 ILE B 757 15.607 17.725 0.907 1.00 0.00 C ATOM 0 H ILE B 757 14.960 19.444 -2.481 1.00 0.00 H new ATOM 0 HA ILE B 757 17.376 20.576 -1.448 1.00 0.00 H new ATOM 0 HB ILE B 757 16.610 17.628 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE B 757 15.752 19.772 0.230 1.00 0.00 H new ATOM 0 HG13 ILE B 757 14.712 18.768 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE B 757 17.963 17.377 0.284 1.00 0.00 H new ATOM 0 HG22 ILE B 757 18.931 18.093 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE B 757 18.304 19.123 0.283 1.00 0.00 H new ATOM 0 HD11 ILE B 757 14.770 17.934 1.574 1.00 0.00 H new ATOM 0 HD12 ILE B 757 15.482 16.736 0.467 1.00 0.00 H new ATOM 0 HD13 ILE B 757 16.538 17.755 1.473 1.00 0.00 H new ATOM 819 N THR B 758 17.557 18.651 -4.097 1.00 0.00 N ATOM 820 CA THR B 758 18.409 18.243 -5.209 1.00 0.00 C ATOM 821 C THR B 758 18.781 19.448 -6.056 1.00 0.00 C ATOM 822 O THR B 758 19.633 19.369 -6.944 1.00 0.00 O ATOM 823 CB THR B 758 17.686 17.174 -6.048 1.00 0.00 C ATOM 824 OG1 THR B 758 18.642 16.256 -6.559 1.00 0.00 O ATOM 825 CG2 THR B 758 16.911 17.805 -7.213 1.00 0.00 C ATOM 0 H THR B 758 16.604 18.291 -4.142 1.00 0.00 H new ATOM 0 HA THR B 758 19.332 17.811 -4.821 1.00 0.00 H new ATOM 0 HB THR B 758 16.972 16.659 -5.405 1.00 0.00 H new ATOM 0 HG1 THR B 758 18.186 15.572 -7.093 1.00 0.00 H new ATOM 0 HG21 THR B 758 16.412 17.022 -7.785 1.00 0.00 H new ATOM 0 HG22 THR B 758 16.167 18.498 -6.822 1.00 0.00 H new ATOM 0 HG23 THR B 758 17.603 18.343 -7.861 1.00 0.00 H new