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 USER MOD Single : B 722 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=-0.035) USER MOD Single : B 725 LYS NZ :NH3+ -162:sc= -0.0454 (180deg=-0.334) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.7!) 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 87:sc= 0.835 USER MOD Single : B 752 SER OG : rot -29:sc= 1.04 USER MOD Single : B 753 THR OG1 : rot 180:sc= 0 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.00821 USER MOD Single : B 756 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.3!) USER MOD Single : B 758 THR OG1 : rot 132:sc= 0.337 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -12.956 0.618 15.474 1.00 0.00 N ATOM 13 CA PRO B 710 -11.575 1.023 15.872 1.00 0.00 C ATOM 14 C PRO B 710 -10.511 0.374 14.988 1.00 0.00 C ATOM 15 O PRO B 710 -10.742 -0.674 14.384 1.00 0.00 O ATOM 16 CB PRO B 710 -11.459 0.546 17.328 1.00 0.00 C ATOM 17 CG PRO B 710 -12.447 -0.573 17.450 1.00 0.00 C ATOM 18 CD PRO B 710 -13.592 -0.231 16.495 1.00 0.00 C ATOM 0 HA PRO B 710 -11.412 2.095 15.763 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -10.448 0.206 17.552 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -11.687 1.351 18.026 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -11.991 -1.527 17.186 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -12.808 -0.665 18.474 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -14.027 -1.128 16.055 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -14.397 0.295 17.008 1.00 0.00 H new ATOM 26 N GLU B 711 -9.342 0.998 14.932 1.00 0.00 N ATOM 27 CA GLU B 711 -8.244 0.473 14.131 1.00 0.00 C ATOM 28 C GLU B 711 -7.943 -0.972 14.524 1.00 0.00 C ATOM 29 O GLU B 711 -7.430 -1.749 13.718 1.00 0.00 O ATOM 30 CB GLU B 711 -6.990 1.327 14.333 1.00 0.00 C ATOM 31 CG GLU B 711 -6.722 1.508 15.835 1.00 0.00 C ATOM 32 CD GLU B 711 -7.626 2.600 16.401 1.00 0.00 C ATOM 33 OE1 GLU B 711 -7.855 3.574 15.703 1.00 0.00 O ATOM 34 OE2 GLU B 711 -8.085 2.440 17.519 1.00 0.00 O ATOM 0 H GLU B 711 -9.130 1.863 15.429 1.00 0.00 H new ATOM 0 HA GLU B 711 -8.538 0.504 13.082 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -6.133 0.851 13.856 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -7.120 2.299 13.857 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -6.900 0.569 16.360 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -5.676 1.770 15.997 1.00 0.00 H new ATOM 41 N CYS B 712 -8.268 -1.325 15.765 1.00 0.00 N ATOM 42 CA CYS B 712 -8.030 -2.680 16.246 1.00 0.00 C ATOM 43 C CYS B 712 -8.900 -3.676 15.488 1.00 0.00 C ATOM 44 O CYS B 712 -8.435 -4.746 15.091 1.00 0.00 O ATOM 45 CB CYS B 712 -8.341 -2.764 17.743 1.00 0.00 C ATOM 46 SG CYS B 712 -7.116 -1.804 18.666 1.00 0.00 S ATOM 0 H CYS B 712 -8.692 -0.698 16.448 1.00 0.00 H new ATOM 0 HA CYS B 712 -6.982 -2.928 16.078 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -9.342 -2.381 17.940 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -8.327 -3.803 18.071 1.00 0.00 H new ATOM 0 HG CYS B 712 -7.379 -1.872 19.937 1.00 0.00 H new ATOM 52 N LEU B 713 -10.164 -3.321 15.291 1.00 0.00 N ATOM 53 CA LEU B 713 -11.084 -4.199 14.585 1.00 0.00 C ATOM 54 C LEU B 713 -10.615 -4.414 13.145 1.00 0.00 C ATOM 55 O LEU B 713 -10.591 -5.538 12.643 1.00 0.00 O ATOM 56 CB LEU B 713 -12.496 -3.577 14.583 1.00 0.00 C ATOM 57 CG LEU B 713 -13.549 -4.684 14.477 1.00 0.00 C ATOM 58 CD1 LEU B 713 -14.943 -4.075 14.572 1.00 0.00 C ATOM 59 CD2 LEU B 713 -13.400 -5.421 13.133 1.00 0.00 C ATOM 0 H LEU B 713 -10.571 -2.441 15.607 1.00 0.00 H new ATOM 0 HA LEU B 713 -11.111 -5.163 15.094 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -12.651 -3.001 15.495 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -12.597 -2.884 13.747 1.00 0.00 H new ATOM 0 HG LEU B 713 -13.406 -5.393 15.293 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -15.691 -4.864 14.496 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -15.052 -3.562 15.528 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -15.085 -3.362 13.760 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -14.152 -6.207 13.064 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -13.537 -4.715 12.314 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -12.406 -5.863 13.069 1.00 0.00 H new ATOM 71 N ILE B 714 -10.234 -3.328 12.486 1.00 0.00 N ATOM 72 CA ILE B 714 -9.768 -3.410 11.106 1.00 0.00 C ATOM 73 C ILE B 714 -8.495 -4.246 11.026 1.00 0.00 C ATOM 74 O ILE B 714 -8.343 -5.079 10.133 1.00 0.00 O ATOM 75 CB ILE B 714 -9.503 -2.006 10.558 1.00 0.00 C ATOM 76 CG1 ILE B 714 -10.827 -1.249 10.436 1.00 0.00 C ATOM 77 CG2 ILE B 714 -8.849 -2.111 9.177 1.00 0.00 C ATOM 78 CD1 ILE B 714 -10.545 0.228 10.151 1.00 0.00 C ATOM 0 H ILE B 714 -10.238 -2.387 12.879 1.00 0.00 H new ATOM 0 HA ILE B 714 -10.541 -3.888 10.505 1.00 0.00 H new ATOM 0 HB ILE B 714 -8.838 -1.472 11.236 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -11.430 -1.676 9.635 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -11.402 -1.350 11.356 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -8.660 -1.111 8.787 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -7.906 -2.652 9.261 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -9.514 -2.645 8.499 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -11.488 0.768 10.064 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -9.959 0.651 10.967 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -9.987 0.319 9.219 1.00 0.00 H new ATOM 90 N TRP B 715 -7.582 -4.012 11.963 1.00 0.00 N ATOM 91 CA TRP B 715 -6.324 -4.746 11.988 1.00 0.00 C ATOM 92 C TRP B 715 -6.581 -6.246 12.072 1.00 0.00 C ATOM 93 O TRP B 715 -5.915 -7.042 11.408 1.00 0.00 O ATOM 94 CB TRP B 715 -5.482 -4.301 13.185 1.00 0.00 C ATOM 95 CG TRP B 715 -4.179 -5.034 13.177 1.00 0.00 C ATOM 96 CD1 TRP B 715 -3.210 -4.884 12.247 1.00 0.00 C ATOM 97 CD2 TRP B 715 -3.685 -6.019 14.130 1.00 0.00 C ATOM 98 NE1 TRP B 715 -2.154 -5.719 12.563 1.00 0.00 N ATOM 99 CE2 TRP B 715 -2.398 -6.439 13.716 1.00 0.00 C ATOM 100 CE3 TRP B 715 -4.223 -6.586 15.299 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -1.671 -7.387 14.438 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -3.493 -7.540 16.028 1.00 0.00 C ATOM 103 CH2 TRP B 715 -2.220 -7.940 15.597 1.00 0.00 C ATOM 0 H TRP B 715 -7.689 -3.325 12.709 1.00 0.00 H new ATOM 0 HA TRP B 715 -5.783 -4.533 11.066 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -5.307 -3.226 13.141 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -6.017 -4.499 14.114 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -3.253 -4.220 11.396 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -1.299 -5.794 12.012 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -5.203 -6.286 15.639 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -0.690 -7.691 14.103 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -3.915 -7.968 16.926 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -1.665 -8.675 16.161 1.00 0.00 H new ATOM 114 N LYS B 716 -7.556 -6.627 12.890 1.00 0.00 N ATOM 115 CA LYS B 716 -7.894 -8.038 13.055 1.00 0.00 C ATOM 116 C LYS B 716 -8.373 -8.630 11.734 1.00 0.00 C ATOM 117 O LYS B 716 -8.056 -9.773 11.404 1.00 0.00 O ATOM 118 CB LYS B 716 -8.990 -8.191 14.113 1.00 0.00 C ATOM 119 CG LYS B 716 -9.244 -9.676 14.373 1.00 0.00 C ATOM 120 CD LYS B 716 -10.299 -9.830 15.471 1.00 0.00 C ATOM 121 CE LYS B 716 -10.541 -11.316 15.742 1.00 0.00 C ATOM 122 NZ LYS B 716 -11.564 -11.465 16.815 1.00 0.00 N ATOM 0 H LYS B 716 -8.123 -5.986 13.445 1.00 0.00 H new ATOM 0 HA LYS B 716 -7.001 -8.573 13.378 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -8.691 -7.695 15.036 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -9.907 -7.708 13.775 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -9.582 -10.163 13.459 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -8.318 -10.167 14.672 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -9.966 -9.333 16.382 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -11.229 -9.349 15.167 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -10.878 -11.812 14.832 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -9.611 -11.798 16.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -11.729 -12.475 17.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -11.225 -11.005 17.684 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -12.453 -11.019 16.511 1.00 0.00 H new ATOM 136 N LEU B 717 -9.139 -7.847 10.984 1.00 0.00 N ATOM 137 CA LEU B 717 -9.656 -8.305 9.702 1.00 0.00 C ATOM 138 C LEU B 717 -8.518 -8.604 8.738 1.00 0.00 C ATOM 139 O LEU B 717 -8.580 -9.563 7.968 1.00 0.00 O ATOM 140 CB LEU B 717 -10.576 -7.238 9.097 1.00 0.00 C ATOM 141 CG LEU B 717 -11.840 -7.103 9.954 1.00 0.00 C ATOM 142 CD1 LEU B 717 -12.684 -5.934 9.442 1.00 0.00 C ATOM 143 CD2 LEU B 717 -12.666 -8.405 9.881 1.00 0.00 C ATOM 0 H LEU B 717 -9.414 -6.899 11.240 1.00 0.00 H new ATOM 0 HA LEU B 717 -10.222 -9.221 9.869 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -10.056 -6.282 9.045 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -10.844 -7.511 8.076 1.00 0.00 H new ATOM 0 HG LEU B 717 -11.552 -6.919 10.989 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -13.582 -5.839 10.052 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -12.105 -5.013 9.503 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -12.967 -6.116 8.405 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -13.563 -8.302 10.492 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -12.952 -8.597 8.847 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -12.067 -9.237 10.252 1.00 0.00 H new ATOM 155 N LEU B 718 -7.484 -7.777 8.781 1.00 0.00 N ATOM 156 CA LEU B 718 -6.337 -7.962 7.903 1.00 0.00 C ATOM 157 C LEU B 718 -5.675 -9.307 8.161 1.00 0.00 C ATOM 158 O LEU B 718 -5.279 -10.004 7.225 1.00 0.00 O ATOM 159 CB LEU B 718 -5.318 -6.842 8.137 1.00 0.00 C ATOM 160 CG LEU B 718 -5.917 -5.501 7.697 1.00 0.00 C ATOM 161 CD1 LEU B 718 -4.965 -4.363 8.077 1.00 0.00 C ATOM 162 CD2 LEU B 718 -6.136 -5.500 6.171 1.00 0.00 C ATOM 0 H LEU B 718 -7.415 -6.977 9.409 1.00 0.00 H new ATOM 0 HA LEU B 718 -6.686 -7.933 6.871 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -5.044 -6.801 9.191 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -4.405 -7.045 7.578 1.00 0.00 H new ATOM 0 HG LEU B 718 -6.875 -5.357 8.197 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -5.393 -3.411 7.763 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -4.818 -4.357 9.157 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -4.005 -4.511 7.581 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -6.562 -4.544 5.865 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -5.182 -5.650 5.666 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -6.820 -6.305 5.901 1.00 0.00 H new ATOM 174 N ILE B 719 -5.559 -9.669 9.432 1.00 0.00 N ATOM 175 CA ILE B 719 -4.944 -10.940 9.799 1.00 0.00 C ATOM 176 C ILE B 719 -5.738 -12.108 9.218 1.00 0.00 C ATOM 177 O ILE B 719 -5.165 -13.032 8.640 1.00 0.00 O ATOM 178 CB ILE B 719 -4.885 -11.071 11.322 1.00 0.00 C ATOM 179 CG1 ILE B 719 -4.145 -9.867 11.908 1.00 0.00 C ATOM 180 CG2 ILE B 719 -4.148 -12.358 11.697 1.00 0.00 C ATOM 181 CD1 ILE B 719 -4.235 -9.901 13.434 1.00 0.00 C ATOM 0 H ILE B 719 -5.879 -9.107 10.221 1.00 0.00 H new ATOM 0 HA ILE B 719 -3.933 -10.963 9.392 1.00 0.00 H new ATOM 0 HB ILE B 719 -5.898 -11.105 11.723 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -3.101 -9.882 11.595 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -4.578 -8.942 11.529 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -4.106 -12.450 12.782 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -4.677 -13.215 11.280 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -3.135 -12.327 11.296 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -3.707 -9.042 13.849 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -5.281 -9.865 13.738 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -3.781 -10.820 13.805 1.00 0.00 H new ATOM 193 N THR B 720 -7.056 -12.060 9.379 1.00 0.00 N ATOM 194 CA THR B 720 -7.915 -13.121 8.867 1.00 0.00 C ATOM 195 C THR B 720 -7.814 -13.206 7.348 1.00 0.00 C ATOM 196 O THR B 720 -7.695 -14.294 6.782 1.00 0.00 O ATOM 197 CB THR B 720 -9.368 -12.857 9.270 1.00 0.00 C ATOM 198 OG1 THR B 720 -9.469 -12.853 10.689 1.00 0.00 O ATOM 199 CG2 THR B 720 -10.267 -13.953 8.697 1.00 0.00 C ATOM 0 H THR B 720 -7.549 -11.305 9.856 1.00 0.00 H new ATOM 0 HA THR B 720 -7.586 -14.068 9.295 1.00 0.00 H new ATOM 0 HB THR B 720 -9.684 -11.890 8.878 1.00 0.00 H new ATOM 0 HG1 THR B 720 -10.398 -12.682 10.950 1.00 0.00 H new ATOM 0 HG21 THR B 720 -11.301 -13.763 8.985 1.00 0.00 H new ATOM 0 HG22 THR B 720 -10.188 -13.957 7.610 1.00 0.00 H new ATOM 0 HG23 THR B 720 -9.954 -14.921 9.087 1.00 0.00 H new ATOM 207 N ILE B 721 -7.863 -12.053 6.690 1.00 0.00 N ATOM 208 CA ILE B 721 -7.772 -12.009 5.235 1.00 0.00 C ATOM 209 C ILE B 721 -6.399 -12.487 4.772 1.00 0.00 C ATOM 210 O ILE B 721 -6.286 -13.246 3.816 1.00 0.00 O ATOM 211 CB ILE B 721 -8.015 -10.581 4.740 1.00 0.00 C ATOM 212 CG1 ILE B 721 -9.466 -10.185 5.022 1.00 0.00 C ATOM 213 CG2 ILE B 721 -7.752 -10.511 3.233 1.00 0.00 C ATOM 214 CD1 ILE B 721 -9.642 -8.685 4.781 1.00 0.00 C ATOM 0 H ILE B 721 -7.965 -11.142 7.137 1.00 0.00 H new ATOM 0 HA ILE B 721 -8.533 -12.670 4.819 1.00 0.00 H new ATOM 0 HB ILE B 721 -7.343 -9.897 5.258 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -10.140 -10.749 4.377 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -9.728 -10.432 6.051 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -7.925 -9.494 2.880 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -6.719 -10.795 3.030 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -8.424 -11.194 2.714 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -10.676 -8.403 4.982 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -8.979 -8.130 5.444 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -9.397 -8.452 3.745 1.00 0.00 H new ATOM 226 N HIS B 722 -5.357 -12.025 5.449 1.00 0.00 N ATOM 227 CA HIS B 722 -3.994 -12.402 5.091 1.00 0.00 C ATOM 228 C HIS B 722 -3.800 -13.906 5.248 1.00 0.00 C ATOM 229 O HIS B 722 -2.962 -14.505 4.572 1.00 0.00 O ATOM 230 CB HIS B 722 -2.995 -11.655 5.976 1.00 0.00 C ATOM 231 CG HIS B 722 -1.595 -12.049 5.592 1.00 0.00 C ATOM 232 ND1 HIS B 722 -1.042 -11.711 4.365 1.00 0.00 N ATOM 233 CD2 HIS B 722 -0.622 -12.751 6.260 1.00 0.00 C ATOM 234 CE1 HIS B 722 0.210 -12.206 4.335 1.00 0.00 C ATOM 235 NE2 HIS B 722 0.516 -12.849 5.466 1.00 0.00 N ATOM 0 H HIS B 722 -5.427 -11.392 6.245 1.00 0.00 H new ATOM 0 HA HIS B 722 -3.821 -12.133 4.049 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -3.126 -10.579 5.863 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -3.176 -11.889 7.025 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -0.725 -13.165 7.252 1.00 0.00 H new ATOM 0 HE1 HIS B 722 0.885 -12.097 3.499 1.00 0.00 H new ATOM 0 HE2 HIS B 722 1.395 -13.312 5.697 1.00 0.00 H new ATOM 244 N ASP B 723 -4.568 -14.505 6.149 1.00 0.00 N ATOM 245 CA ASP B 723 -4.466 -15.939 6.392 1.00 0.00 C ATOM 246 C ASP B 723 -5.050 -16.723 5.223 1.00 0.00 C ATOM 247 O ASP B 723 -4.910 -17.944 5.151 1.00 0.00 O ATOM 248 CB ASP B 723 -5.210 -16.306 7.678 1.00 0.00 C ATOM 249 CG ASP B 723 -4.474 -15.735 8.885 1.00 0.00 C ATOM 250 OD1 ASP B 723 -3.328 -15.347 8.726 1.00 0.00 O ATOM 251 OD2 ASP B 723 -5.067 -15.693 9.950 1.00 0.00 O ATOM 0 H ASP B 723 -5.264 -14.025 6.720 1.00 0.00 H new ATOM 0 HA ASP B 723 -3.412 -16.196 6.497 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -6.227 -15.916 7.644 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -5.287 -17.390 7.767 1.00 0.00 H new ATOM 256 N ARG B 724 -5.701 -16.014 4.305 1.00 0.00 N ATOM 257 CA ARG B 724 -6.299 -16.659 3.138 1.00 0.00 C ATOM 258 C ARG B 724 -5.294 -16.715 1.991 1.00 0.00 C ATOM 259 O ARG B 724 -4.703 -15.701 1.620 1.00 0.00 O ATOM 260 CB ARG B 724 -7.540 -15.883 2.692 1.00 0.00 C ATOM 261 CG ARG B 724 -8.602 -15.942 3.792 1.00 0.00 C ATOM 262 CD ARG B 724 -9.820 -15.121 3.371 1.00 0.00 C ATOM 263 NE ARG B 724 -10.844 -15.168 4.410 1.00 0.00 N ATOM 264 CZ ARG B 724 -12.001 -14.531 4.264 1.00 0.00 C ATOM 265 NH1 ARG B 724 -12.237 -13.849 3.176 1.00 0.00 N ATOM 266 NH2 ARG B 724 -12.901 -14.589 5.207 1.00 0.00 N ATOM 0 H ARG B 724 -5.828 -15.003 4.344 1.00 0.00 H new ATOM 0 HA ARG B 724 -6.585 -17.675 3.410 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -7.277 -14.846 2.481 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -7.934 -16.307 1.768 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -8.893 -16.976 3.975 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -8.195 -15.555 4.726 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -9.525 -14.088 3.187 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -10.223 -15.509 2.435 1.00 0.00 H new ATOM 0 HE ARG B 724 -10.668 -15.699 5.263 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -11.533 -13.805 2.439 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -13.125 -13.360 3.063 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -12.716 -15.123 6.056 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -13.789 -14.100 5.095 1.00 0.00 H new ATOM 280 N LYS B 725 -5.104 -17.909 1.440 1.00 0.00 N ATOM 281 CA LYS B 725 -4.166 -18.088 0.338 1.00 0.00 C ATOM 282 C LYS B 725 -4.651 -17.352 -0.907 1.00 0.00 C ATOM 283 O LYS B 725 -3.849 -16.816 -1.673 1.00 0.00 O ATOM 284 CB LYS B 725 -4.005 -19.578 0.025 1.00 0.00 C ATOM 285 CG LYS B 725 -2.926 -19.765 -1.043 1.00 0.00 C ATOM 286 CD LYS B 725 -2.698 -21.258 -1.285 1.00 0.00 C ATOM 287 CE LYS B 725 -1.594 -21.444 -2.326 1.00 0.00 C ATOM 288 NZ LYS B 725 -2.063 -20.925 -3.644 1.00 0.00 N ATOM 0 H LYS B 725 -5.582 -18.760 1.735 1.00 0.00 H new ATOM 0 HA LYS B 725 -3.203 -17.674 0.636 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -3.734 -20.123 0.929 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -4.952 -19.991 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -3.229 -19.278 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -1.997 -19.292 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -2.420 -21.750 -0.353 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -3.620 -21.726 -1.630 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -0.693 -20.916 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -1.332 -22.499 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -1.466 -21.312 -4.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -3.050 -21.213 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -2.001 -19.887 -3.650 1.00 0.00 H new ATOM 302 N GLU B 726 -5.964 -17.340 -1.108 1.00 0.00 N ATOM 303 CA GLU B 726 -6.542 -16.677 -2.272 1.00 0.00 C ATOM 304 C GLU B 726 -6.159 -15.201 -2.293 1.00 0.00 C ATOM 305 O GLU B 726 -5.740 -14.677 -3.325 1.00 0.00 O ATOM 306 CB GLU B 726 -8.066 -16.804 -2.238 1.00 0.00 C ATOM 307 CG GLU B 726 -8.463 -18.264 -2.466 1.00 0.00 C ATOM 308 CD GLU B 726 -9.977 -18.415 -2.353 1.00 0.00 C ATOM 309 OE1 GLU B 726 -10.640 -17.412 -2.144 1.00 0.00 O ATOM 310 OE2 GLU B 726 -10.453 -19.532 -2.480 1.00 0.00 O ATOM 0 H GLU B 726 -6.644 -17.778 -0.486 1.00 0.00 H new ATOM 0 HA GLU B 726 -6.153 -17.157 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -8.449 -16.458 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -8.511 -16.171 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -8.129 -18.591 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -7.970 -18.903 -1.733 1.00 0.00 H new ATOM 317 N PHE B 727 -6.284 -14.541 -1.147 1.00 0.00 N ATOM 318 CA PHE B 727 -5.932 -13.134 -1.047 1.00 0.00 C ATOM 319 C PHE B 727 -4.425 -12.944 -1.185 1.00 0.00 C ATOM 320 O PHE B 727 -3.966 -11.984 -1.801 1.00 0.00 O ATOM 321 CB PHE B 727 -6.403 -12.576 0.301 1.00 0.00 C ATOM 322 CG PHE B 727 -7.895 -12.339 0.258 1.00 0.00 C ATOM 323 CD1 PHE B 727 -8.778 -13.418 0.384 1.00 0.00 C ATOM 324 CD2 PHE B 727 -8.393 -11.041 0.092 1.00 0.00 C ATOM 325 CE1 PHE B 727 -10.158 -13.199 0.343 1.00 0.00 C ATOM 326 CE2 PHE B 727 -9.774 -10.822 0.050 1.00 0.00 C ATOM 327 CZ PHE B 727 -10.657 -11.900 0.176 1.00 0.00 C ATOM 0 H PHE B 727 -6.625 -14.957 -0.280 1.00 0.00 H new ATOM 0 HA PHE B 727 -6.425 -12.595 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -6.159 -13.275 1.101 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -5.883 -11.644 0.522 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -8.393 -14.419 0.513 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -7.711 -10.209 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -10.840 -14.031 0.440 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -10.158 -9.821 -0.080 1.00 0.00 H new ATOM 0 HZ PHE B 727 -11.723 -11.731 0.145 1.00 0.00 H new ATOM 337 N ALA B 728 -3.661 -13.860 -0.602 1.00 0.00 N ATOM 338 CA ALA B 728 -2.208 -13.779 -0.659 1.00 0.00 C ATOM 339 C ALA B 728 -1.731 -13.766 -2.108 1.00 0.00 C ATOM 340 O ALA B 728 -0.841 -12.999 -2.465 1.00 0.00 O ATOM 341 CB ALA B 728 -1.590 -14.971 0.072 1.00 0.00 C ATOM 0 H ALA B 728 -4.022 -14.663 -0.087 1.00 0.00 H new ATOM 0 HA ALA B 728 -1.894 -12.854 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -0.503 -14.903 0.025 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -1.909 -14.964 1.114 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -1.917 -15.897 -0.401 1.00 0.00 H new ATOM 347 N LYS B 729 -2.326 -14.619 -2.946 1.00 0.00 N ATOM 348 CA LYS B 729 -1.950 -14.693 -4.340 1.00 0.00 C ATOM 349 C LYS B 729 -2.223 -13.367 -5.042 1.00 0.00 C ATOM 350 O LYS B 729 -1.386 -12.876 -5.798 1.00 0.00 O ATOM 351 CB LYS B 729 -2.739 -15.813 -5.024 1.00 0.00 C ATOM 352 CG LYS B 729 -2.260 -15.962 -6.460 1.00 0.00 C ATOM 353 CD LYS B 729 -2.990 -17.125 -7.136 1.00 0.00 C ATOM 354 CE LYS B 729 -2.493 -17.287 -8.574 1.00 0.00 C ATOM 355 NZ LYS B 729 -3.161 -18.462 -9.203 1.00 0.00 N ATOM 0 H LYS B 729 -3.068 -15.263 -2.673 1.00 0.00 H new ATOM 0 HA LYS B 729 -0.883 -14.905 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -2.604 -16.750 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -3.805 -15.586 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -2.441 -15.039 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -1.184 -16.138 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -2.821 -18.046 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -4.065 -16.943 -7.132 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -2.706 -16.385 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -1.411 -17.423 -8.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -2.823 -18.572 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -2.936 -19.320 -8.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -4.191 -18.315 -9.207 1.00 0.00 H new ATOM 369 N PHE B 730 -3.396 -12.795 -4.789 1.00 0.00 N ATOM 370 CA PHE B 730 -3.765 -11.529 -5.403 1.00 0.00 C ATOM 371 C PHE B 730 -2.778 -10.437 -5.006 1.00 0.00 C ATOM 372 O PHE B 730 -2.343 -9.647 -5.845 1.00 0.00 O ATOM 373 CB PHE B 730 -5.176 -11.130 -4.968 1.00 0.00 C ATOM 374 CG PHE B 730 -5.552 -9.821 -5.620 1.00 0.00 C ATOM 375 CD1 PHE B 730 -5.966 -9.798 -6.955 1.00 0.00 C ATOM 376 CD2 PHE B 730 -5.486 -8.630 -4.886 1.00 0.00 C ATOM 377 CE1 PHE B 730 -6.314 -8.584 -7.559 1.00 0.00 C ATOM 378 CE2 PHE B 730 -5.832 -7.417 -5.490 1.00 0.00 C ATOM 379 CZ PHE B 730 -6.248 -7.393 -6.827 1.00 0.00 C ATOM 0 H PHE B 730 -4.102 -13.187 -4.166 1.00 0.00 H new ATOM 0 HA PHE B 730 -3.741 -11.649 -6.486 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -5.888 -11.906 -5.249 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -5.220 -11.034 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -6.017 -10.717 -7.520 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -5.168 -8.648 -3.854 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -6.634 -8.566 -8.590 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -5.778 -6.498 -4.925 1.00 0.00 H new ATOM 0 HZ PHE B 730 -6.518 -6.457 -7.293 1.00 0.00 H new ATOM 389 N GLU B 731 -2.434 -10.394 -3.723 1.00 0.00 N ATOM 390 CA GLU B 731 -1.499 -9.390 -3.228 1.00 0.00 C ATOM 391 C GLU B 731 -0.166 -9.486 -3.963 1.00 0.00 C ATOM 392 O GLU B 731 0.385 -8.475 -4.399 1.00 0.00 O ATOM 393 CB GLU B 731 -1.271 -9.586 -1.727 1.00 0.00 C ATOM 394 CG GLU B 731 -2.535 -9.193 -0.961 1.00 0.00 C ATOM 395 CD GLU B 731 -2.344 -9.457 0.529 1.00 0.00 C ATOM 396 OE1 GLU B 731 -1.275 -9.915 0.897 1.00 0.00 O ATOM 397 OE2 GLU B 731 -3.268 -9.193 1.280 1.00 0.00 O ATOM 0 H GLU B 731 -2.785 -11.036 -3.013 1.00 0.00 H new ATOM 0 HA GLU B 731 -1.927 -8.404 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -1.017 -10.626 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -0.429 -8.979 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -2.758 -8.139 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -3.387 -9.761 -1.333 1.00 0.00 H new ATOM 404 N GLU B 732 0.345 -10.706 -4.103 1.00 0.00 N ATOM 405 CA GLU B 732 1.610 -10.918 -4.788 1.00 0.00 C ATOM 406 C GLU B 732 1.495 -10.521 -6.257 1.00 0.00 C ATOM 407 O GLU B 732 2.442 -9.995 -6.843 1.00 0.00 O ATOM 408 CB GLU B 732 2.016 -12.390 -4.688 1.00 0.00 C ATOM 409 CG GLU B 732 2.323 -12.734 -3.229 1.00 0.00 C ATOM 410 CD GLU B 732 2.722 -14.202 -3.113 1.00 0.00 C ATOM 411 OE1 GLU B 732 2.088 -15.021 -3.758 1.00 0.00 O ATOM 412 OE2 GLU B 732 3.656 -14.486 -2.381 1.00 0.00 O ATOM 0 H GLU B 732 -0.096 -11.556 -3.753 1.00 0.00 H new ATOM 0 HA GLU B 732 2.369 -10.297 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU B 732 1.214 -13.026 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU B 732 2.891 -12.581 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU B 732 3.128 -12.099 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU B 732 1.449 -12.536 -2.608 1.00 0.00 H new ATOM 419 N GLU B 733 0.334 -10.780 -6.846 1.00 0.00 N ATOM 420 CA GLU B 733 0.109 -10.448 -8.248 1.00 0.00 C ATOM 421 C GLU B 733 0.137 -8.936 -8.450 1.00 0.00 C ATOM 422 O GLU B 733 0.635 -8.446 -9.464 1.00 0.00 O ATOM 423 CB GLU B 733 -1.241 -11.002 -8.706 1.00 0.00 C ATOM 424 CG GLU B 733 -1.412 -10.758 -10.208 1.00 0.00 C ATOM 425 CD GLU B 733 -2.721 -11.374 -10.691 1.00 0.00 C ATOM 426 OE1 GLU B 733 -3.264 -12.199 -9.975 1.00 0.00 O ATOM 427 OE2 GLU B 733 -3.157 -11.016 -11.772 1.00 0.00 O ATOM 0 H GLU B 733 -0.461 -11.216 -6.379 1.00 0.00 H new ATOM 0 HA GLU B 733 0.905 -10.898 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -1.300 -12.069 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -2.049 -10.521 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -1.407 -9.688 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -0.574 -11.192 -10.753 1.00 0.00 H new ATOM 434 N ARG B 734 -0.411 -8.196 -7.484 1.00 0.00 N ATOM 435 CA ARG B 734 -0.447 -6.747 -7.577 1.00 0.00 C ATOM 436 C ARG B 734 0.964 -6.175 -7.625 1.00 0.00 C ATOM 437 O ARG B 734 1.257 -5.282 -8.420 1.00 0.00 O ATOM 438 CB ARG B 734 -1.191 -6.172 -6.371 1.00 0.00 C ATOM 439 CG ARG B 734 -1.317 -4.657 -6.524 1.00 0.00 C ATOM 440 CD ARG B 734 -2.194 -4.103 -5.405 1.00 0.00 C ATOM 441 NE ARG B 734 -1.542 -4.280 -4.111 1.00 0.00 N ATOM 442 CZ ARG B 734 -0.666 -3.391 -3.652 1.00 0.00 C ATOM 443 NH1 ARG B 734 -0.377 -2.334 -4.361 1.00 0.00 N ATOM 444 NH2 ARG B 734 -0.096 -3.576 -2.494 1.00 0.00 N ATOM 0 H ARG B 734 -0.831 -8.579 -6.637 1.00 0.00 H new ATOM 0 HA ARG B 734 -0.966 -6.472 -8.495 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -2.180 -6.624 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG B 734 -0.656 -6.412 -5.452 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -0.331 -4.194 -6.490 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -1.750 -4.414 -7.494 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -2.390 -3.045 -5.578 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -3.159 -4.610 -5.406 1.00 0.00 H new ATOM 0 HE ARG B 734 -1.763 -5.101 -3.548 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -0.823 -2.190 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG B 734 0.295 -1.652 -4.009 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -0.322 -4.402 -1.941 1.00 0.00 H new ATOM 0 HH22 ARG B 734 0.576 -2.894 -2.142 1.00 0.00 H new ATOM 458 N ALA B 735 1.836 -6.694 -6.769 1.00 0.00 N ATOM 459 CA ALA B 735 3.217 -6.224 -6.720 1.00 0.00 C ATOM 460 C ALA B 735 3.916 -6.475 -8.053 1.00 0.00 C ATOM 461 O ALA B 735 4.713 -5.654 -8.509 1.00 0.00 O ATOM 462 CB ALA B 735 3.976 -6.944 -5.603 1.00 0.00 C ATOM 0 H ALA B 735 1.615 -7.435 -6.104 1.00 0.00 H new ATOM 0 HA ALA B 735 3.208 -5.152 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA B 735 5.005 -6.587 -5.574 1.00 0.00 H new ATOM 0 HB2 ALA B 735 3.494 -6.741 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA B 735 3.969 -8.017 -5.792 1.00 0.00 H new ATOM 468 N ARG B 736 3.619 -7.614 -8.672 1.00 0.00 N ATOM 469 CA ARG B 736 4.225 -7.961 -9.945 1.00 0.00 C ATOM 470 C ARG B 736 3.805 -6.975 -11.028 1.00 0.00 C ATOM 471 O ARG B 736 4.605 -6.603 -11.886 1.00 0.00 O ATOM 472 CB ARG B 736 3.811 -9.375 -10.349 1.00 0.00 C ATOM 473 CG ARG B 736 4.500 -10.391 -9.440 1.00 0.00 C ATOM 474 CD ARG B 736 4.068 -11.806 -9.831 1.00 0.00 C ATOM 475 NE ARG B 736 4.724 -12.788 -8.973 1.00 0.00 N ATOM 476 CZ ARG B 736 5.937 -13.250 -9.258 1.00 0.00 C ATOM 477 NH1 ARG B 736 6.564 -12.822 -10.320 1.00 0.00 N ATOM 478 NH2 ARG B 736 6.502 -14.129 -8.477 1.00 0.00 N ATOM 0 H ARG B 736 2.964 -8.308 -8.311 1.00 0.00 H new ATOM 0 HA ARG B 736 5.308 -7.917 -9.834 1.00 0.00 H new ATOM 0 HB2 ARG B 736 2.729 -9.482 -10.276 1.00 0.00 H new ATOM 0 HB3 ARG B 736 4.081 -9.561 -11.389 1.00 0.00 H new ATOM 0 HG2 ARG B 736 5.582 -10.294 -9.524 1.00 0.00 H new ATOM 0 HG3 ARG B 736 4.243 -10.196 -8.399 1.00 0.00 H new ATOM 0 HD2 ARG B 736 2.986 -11.901 -9.743 1.00 0.00 H new ATOM 0 HD3 ARG B 736 4.321 -11.996 -10.874 1.00 0.00 H new ATOM 0 HE ARG B 736 4.243 -13.126 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG B 736 6.123 -12.134 -10.930 1.00 0.00 H new ATOM 0 HH12 ARG B 736 7.495 -13.176 -10.540 1.00 0.00 H new ATOM 0 HH21 ARG B 736 6.013 -14.462 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG B 736 7.433 -14.483 -8.697 1.00 0.00 H new ATOM 598 N ASN B 744 5.288 5.606 -12.831 1.00 0.00 N ATOM 599 CA ASN B 744 5.451 6.827 -13.587 1.00 0.00 C ATOM 600 C ASN B 744 6.301 7.834 -12.809 1.00 0.00 C ATOM 601 O ASN B 744 6.237 7.890 -11.579 1.00 0.00 O ATOM 602 CB ASN B 744 4.091 7.451 -13.905 1.00 0.00 C ATOM 603 CG ASN B 744 3.387 6.634 -14.981 1.00 0.00 C ATOM 604 OD1 ASN B 744 3.925 5.632 -15.452 1.00 0.00 O ATOM 605 ND2 ASN B 744 2.209 7.005 -15.400 1.00 0.00 N ATOM 0 HA ASN B 744 5.956 6.577 -14.520 1.00 0.00 H new ATOM 0 HB2 ASN B 744 3.478 7.488 -13.004 1.00 0.00 H new ATOM 0 HB3 ASN B 744 4.222 8.479 -14.244 1.00 0.00 H new ATOM 0 HD21 ASN B 744 1.730 6.464 -16.120 1.00 0.00 H new ATOM 0 HD22 ASN B 744 1.766 7.836 -15.007 1.00 0.00 H new ATOM 612 N PRO B 745 7.083 8.628 -13.497 1.00 0.00 N ATOM 613 CA PRO B 745 7.963 9.644 -12.854 1.00 0.00 C ATOM 614 C PRO B 745 7.167 10.741 -12.158 1.00 0.00 C ATOM 615 O PRO B 745 7.664 11.402 -11.249 1.00 0.00 O ATOM 616 CB PRO B 745 8.786 10.205 -14.029 1.00 0.00 C ATOM 617 CG PRO B 745 7.979 9.914 -15.253 1.00 0.00 C ATOM 618 CD PRO B 745 7.215 8.632 -14.961 1.00 0.00 C ATOM 0 HA PRO B 745 8.581 9.214 -12.066 1.00 0.00 H new ATOM 0 HB2 PRO B 745 8.954 11.276 -13.915 1.00 0.00 H new ATOM 0 HB3 PRO B 745 9.767 9.732 -14.083 1.00 0.00 H new ATOM 0 HG2 PRO B 745 7.295 10.734 -15.472 1.00 0.00 H new ATOM 0 HG3 PRO B 745 8.623 9.794 -16.124 1.00 0.00 H new ATOM 0 HD2 PRO B 745 6.241 8.626 -15.450 1.00 0.00 H new ATOM 0 HD3 PRO B 745 7.755 7.755 -15.316 1.00 0.00 H new ATOM 626 N LEU B 746 5.939 10.925 -12.592 1.00 0.00 N ATOM 627 CA LEU B 746 5.074 11.941 -12.006 1.00 0.00 C ATOM 628 C LEU B 746 4.783 11.614 -10.552 1.00 0.00 C ATOM 629 O LEU B 746 4.609 12.509 -9.723 1.00 0.00 O ATOM 630 CB LEU B 746 3.761 12.036 -12.801 1.00 0.00 C ATOM 631 CG LEU B 746 3.979 12.866 -14.071 1.00 0.00 C ATOM 632 CD1 LEU B 746 4.257 14.339 -13.699 1.00 0.00 C ATOM 633 CD2 LEU B 746 5.174 12.298 -14.844 1.00 0.00 C ATOM 0 H LEU B 746 5.512 10.388 -13.347 1.00 0.00 H new ATOM 0 HA LEU B 746 5.585 12.903 -12.050 1.00 0.00 H new ATOM 0 HB2 LEU B 746 3.412 11.037 -13.064 1.00 0.00 H new ATOM 0 HB3 LEU B 746 2.986 12.493 -12.186 1.00 0.00 H new ATOM 0 HG LEU B 746 3.083 12.820 -14.690 1.00 0.00 H new ATOM 0 HD11 LEU B 746 4.411 14.921 -14.608 1.00 0.00 H new ATOM 0 HD12 LEU B 746 3.406 14.742 -13.149 1.00 0.00 H new ATOM 0 HD13 LEU B 746 5.150 14.395 -13.077 1.00 0.00 H new ATOM 0 HD21 LEU B 746 5.334 12.884 -15.749 1.00 0.00 H new ATOM 0 HD22 LEU B 746 6.066 12.344 -14.219 1.00 0.00 H new ATOM 0 HD23 LEU B 746 4.973 11.261 -15.114 1.00 0.00 H new ATOM 645 N TYR B 747 4.696 10.327 -10.255 1.00 0.00 N ATOM 646 CA TYR B 747 4.414 9.883 -8.895 1.00 0.00 C ATOM 647 C TYR B 747 5.659 9.997 -8.024 1.00 0.00 C ATOM 648 O TYR B 747 5.584 10.422 -6.869 1.00 0.00 O ATOM 649 CB TYR B 747 3.918 8.442 -8.908 1.00 0.00 C ATOM 650 CG TYR B 747 3.484 8.044 -7.513 1.00 0.00 C ATOM 651 CD1 TYR B 747 2.358 8.645 -6.934 1.00 0.00 C ATOM 652 CD2 TYR B 747 4.207 7.081 -6.799 1.00 0.00 C ATOM 653 CE1 TYR B 747 1.953 8.277 -5.645 1.00 0.00 C ATOM 654 CE2 TYR B 747 3.801 6.712 -5.511 1.00 0.00 C ATOM 655 CZ TYR B 747 2.677 7.313 -4.933 1.00 0.00 C ATOM 656 OH TYR B 747 2.280 6.951 -3.662 1.00 0.00 O ATOM 0 H TYR B 747 4.816 9.573 -10.932 1.00 0.00 H new ATOM 0 HA TYR B 747 3.638 10.524 -8.476 1.00 0.00 H new ATOM 0 HB2 TYR B 747 3.084 8.340 -9.603 1.00 0.00 H new ATOM 0 HB3 TYR B 747 4.708 7.778 -9.258 1.00 0.00 H new ATOM 0 HD1 TYR B 747 1.803 9.392 -7.482 1.00 0.00 H new ATOM 0 HD2 TYR B 747 5.079 6.622 -7.242 1.00 0.00 H new ATOM 0 HE1 TYR B 747 1.083 8.737 -5.200 1.00 0.00 H new ATOM 0 HE2 TYR B 747 4.355 5.964 -4.964 1.00 0.00 H new ATOM 0 HH TYR B 747 2.890 6.270 -3.310 1.00 0.00 H new ATOM 666 N LYS B 748 6.810 9.599 -8.569 1.00 0.00 N ATOM 667 CA LYS B 748 8.052 9.655 -7.832 1.00 0.00 C ATOM 668 C LYS B 748 8.426 11.093 -7.504 1.00 0.00 C ATOM 669 O LYS B 748 8.741 11.409 -6.358 1.00 0.00 O ATOM 670 CB LYS B 748 9.167 8.998 -8.662 1.00 0.00 C ATOM 671 CG LYS B 748 10.503 9.224 -7.980 1.00 0.00 C ATOM 672 CD LYS B 748 11.590 8.382 -8.652 1.00 0.00 C ATOM 673 CE LYS B 748 12.932 8.600 -7.948 1.00 0.00 C ATOM 674 NZ LYS B 748 13.976 7.759 -8.600 1.00 0.00 N ATOM 0 H LYS B 748 6.897 9.236 -9.518 1.00 0.00 H new ATOM 0 HA LYS B 748 7.926 9.116 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS B 748 8.976 7.930 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS B 748 9.184 9.419 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS B 748 10.770 10.280 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS B 748 10.430 8.961 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS B 748 11.318 7.327 -8.616 1.00 0.00 H new ATOM 0 HD3 LYS B 748 11.674 8.654 -9.704 1.00 0.00 H new ATOM 0 HE2 LYS B 748 13.214 9.652 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS B 748 12.848 8.341 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 14.888 7.906 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 13.707 6.757 -8.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 14.062 8.027 -9.601 1.00 0.00 H new ATOM 688 N GLU B 749 8.397 11.949 -8.510 1.00 0.00 N ATOM 689 CA GLU B 749 8.747 13.350 -8.317 1.00 0.00 C ATOM 690 C GLU B 749 7.763 14.009 -7.358 1.00 0.00 C ATOM 691 O GLU B 749 8.140 14.855 -6.549 1.00 0.00 O ATOM 692 CB GLU B 749 8.735 14.083 -9.663 1.00 0.00 C ATOM 693 CG GLU B 749 7.296 14.146 -10.198 1.00 0.00 C ATOM 694 CD GLU B 749 6.553 15.337 -9.593 1.00 0.00 C ATOM 695 OE1 GLU B 749 7.161 16.072 -8.832 1.00 0.00 O ATOM 696 OE2 GLU B 749 5.383 15.489 -9.888 1.00 0.00 O ATOM 0 H GLU B 749 8.137 11.703 -9.465 1.00 0.00 H new ATOM 0 HA GLU B 749 9.748 13.407 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU B 749 9.135 15.090 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU B 749 9.377 13.567 -10.376 1.00 0.00 H new ATOM 0 HG2 GLU B 749 7.309 14.231 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU B 749 6.771 13.222 -9.957 1.00 0.00 H new ATOM 703 N ALA B 750 6.500 13.615 -7.457 1.00 0.00 N ATOM 704 CA ALA B 750 5.463 14.171 -6.590 1.00 0.00 C ATOM 705 C ALA B 750 5.678 13.727 -5.148 1.00 0.00 C ATOM 706 O ALA B 750 5.460 14.495 -4.212 1.00 0.00 O ATOM 707 CB ALA B 750 4.080 13.723 -7.069 1.00 0.00 C ATOM 0 H ALA B 750 6.168 12.918 -8.123 1.00 0.00 H new ATOM 0 HA ALA B 750 5.523 15.258 -6.635 1.00 0.00 H new ATOM 0 HB1 ALA B 750 3.315 14.143 -6.416 1.00 0.00 H new ATOM 0 HB2 ALA B 750 3.918 14.072 -8.089 1.00 0.00 H new ATOM 0 HB3 ALA B 750 4.021 12.635 -7.044 1.00 0.00 H new ATOM 713 N THR B 751 6.104 12.478 -4.978 1.00 0.00 N ATOM 714 CA THR B 751 6.344 11.937 -3.645 1.00 0.00 C ATOM 715 C THR B 751 7.448 12.718 -2.942 1.00 0.00 C ATOM 716 O THR B 751 7.330 13.056 -1.764 1.00 0.00 O ATOM 717 CB THR B 751 6.734 10.462 -3.741 1.00 0.00 C ATOM 718 OG1 THR B 751 5.811 9.782 -4.581 1.00 0.00 O ATOM 719 CG2 THR B 751 6.716 9.835 -2.349 1.00 0.00 C ATOM 0 H THR B 751 6.289 11.827 -5.741 1.00 0.00 H new ATOM 0 HA THR B 751 5.426 12.029 -3.064 1.00 0.00 H new ATOM 0 HB THR B 751 7.737 10.379 -4.161 1.00 0.00 H new ATOM 0 HG1 THR B 751 6.098 9.862 -5.515 1.00 0.00 H new ATOM 0 HG21 THR B 751 6.994 8.784 -2.420 1.00 0.00 H new ATOM 0 HG22 THR B 751 7.426 10.356 -1.706 1.00 0.00 H new ATOM 0 HG23 THR B 751 5.715 9.918 -1.926 1.00 0.00 H new ATOM 727 N SER B 752 8.521 12.999 -3.672 1.00 0.00 N ATOM 728 CA SER B 752 9.642 13.743 -3.110 1.00 0.00 C ATOM 729 C SER B 752 9.190 15.122 -2.644 1.00 0.00 C ATOM 730 O SER B 752 9.731 15.675 -1.687 1.00 0.00 O ATOM 731 CB SER B 752 10.749 13.890 -4.154 1.00 0.00 C ATOM 732 OG SER B 752 10.255 14.636 -5.258 1.00 0.00 O ATOM 0 H SER B 752 8.639 12.725 -4.648 1.00 0.00 H new ATOM 0 HA SER B 752 10.026 13.191 -2.252 1.00 0.00 H new ATOM 0 HB2 SER B 752 11.612 14.392 -3.718 1.00 0.00 H new ATOM 0 HB3 SER B 752 11.086 12.908 -4.485 1.00 0.00 H new ATOM 0 HG SER B 752 9.289 14.497 -5.341 1.00 0.00 H new ATOM 738 N THR B 753 8.196 15.674 -3.331 1.00 0.00 N ATOM 739 CA THR B 753 7.677 16.993 -2.982 1.00 0.00 C ATOM 740 C THR B 753 7.065 16.978 -1.587 1.00 0.00 C ATOM 741 O THR B 753 7.307 17.873 -0.785 1.00 0.00 O ATOM 742 CB THR B 753 6.622 17.428 -4.001 1.00 0.00 C ATOM 743 OG1 THR B 753 7.124 17.227 -5.314 1.00 0.00 O ATOM 744 CG2 THR B 753 6.296 18.909 -3.800 1.00 0.00 C ATOM 0 H THR B 753 7.736 15.233 -4.127 1.00 0.00 H new ATOM 0 HA THR B 753 8.505 17.701 -2.994 1.00 0.00 H new ATOM 0 HB THR B 753 5.717 16.837 -3.862 1.00 0.00 H new ATOM 0 HG1 THR B 753 6.449 17.504 -5.968 1.00 0.00 H new ATOM 0 HG21 THR B 753 5.544 19.218 -4.526 1.00 0.00 H new ATOM 0 HG22 THR B 753 5.911 19.063 -2.792 1.00 0.00 H new ATOM 0 HG23 THR B 753 7.200 19.503 -3.938 1.00 0.00 H new ATOM 752 N PHE B 754 6.279 15.948 -1.305 1.00 0.00 N ATOM 753 CA PHE B 754 5.634 15.819 -0.001 1.00 0.00 C ATOM 754 C PHE B 754 6.677 15.782 1.109 1.00 0.00 C ATOM 755 O PHE B 754 6.494 16.384 2.165 1.00 0.00 O ATOM 756 CB PHE B 754 4.791 14.543 0.043 1.00 0.00 C ATOM 757 CG PHE B 754 4.107 14.439 1.386 1.00 0.00 C ATOM 758 CD1 PHE B 754 2.953 15.190 1.645 1.00 0.00 C ATOM 759 CD2 PHE B 754 4.626 13.592 2.373 1.00 0.00 C ATOM 760 CE1 PHE B 754 2.320 15.093 2.891 1.00 0.00 C ATOM 761 CE2 PHE B 754 3.993 13.496 3.617 1.00 0.00 C ATOM 762 CZ PHE B 754 2.841 14.246 3.877 1.00 0.00 C ATOM 0 H PHE B 754 6.072 15.191 -1.957 1.00 0.00 H new ATOM 0 HA PHE B 754 4.988 16.684 0.151 1.00 0.00 H new ATOM 0 HB2 PHE B 754 4.049 14.557 -0.755 1.00 0.00 H new ATOM 0 HB3 PHE B 754 5.423 13.671 -0.124 1.00 0.00 H new ATOM 0 HD1 PHE B 754 2.552 15.843 0.884 1.00 0.00 H new ATOM 0 HD2 PHE B 754 5.515 13.013 2.174 1.00 0.00 H new ATOM 0 HE1 PHE B 754 1.430 15.671 3.091 1.00 0.00 H new ATOM 0 HE2 PHE B 754 4.394 12.842 4.377 1.00 0.00 H new ATOM 0 HZ PHE B 754 2.354 14.172 4.838 1.00 0.00 H new ATOM 772 N THR B 755 7.767 15.068 0.863 1.00 0.00 N ATOM 773 CA THR B 755 8.835 14.956 1.849 1.00 0.00 C ATOM 774 C THR B 755 9.332 16.339 2.255 1.00 0.00 C ATOM 775 O THR B 755 9.624 16.593 3.421 1.00 0.00 O ATOM 776 CB THR B 755 9.995 14.139 1.279 1.00 0.00 C ATOM 777 OG1 THR B 755 9.486 12.970 0.652 1.00 0.00 O ATOM 778 CG2 THR B 755 10.947 13.738 2.409 1.00 0.00 C ATOM 0 H THR B 755 7.935 14.560 -0.005 1.00 0.00 H new ATOM 0 HA THR B 755 8.439 14.450 2.730 1.00 0.00 H new ATOM 0 HB THR B 755 10.536 14.740 0.548 1.00 0.00 H new ATOM 0 HG1 THR B 755 10.228 12.446 0.285 1.00 0.00 H new ATOM 0 HG21 THR B 755 11.773 13.156 2.000 1.00 0.00 H new ATOM 0 HG22 THR B 755 11.338 14.634 2.890 1.00 0.00 H new ATOM 0 HG23 THR B 755 10.409 13.138 3.143 1.00 0.00 H new ATOM 786 N ASN B 756 9.443 17.228 1.282 1.00 0.00 N ATOM 787 CA ASN B 756 9.914 18.583 1.551 1.00 0.00 C ATOM 788 C ASN B 756 8.928 19.326 2.447 1.00 0.00 C ATOM 789 O ASN B 756 9.319 19.964 3.426 1.00 0.00 O ATOM 790 CB ASN B 756 10.082 19.349 0.237 1.00 0.00 C ATOM 791 CG ASN B 756 10.634 20.745 0.510 1.00 0.00 C ATOM 792 OD1 ASN B 756 10.694 21.176 1.661 1.00 0.00 O ATOM 793 ND2 ASN B 756 11.044 21.483 -0.487 1.00 0.00 N ATOM 0 H ASN B 756 9.216 17.042 0.305 1.00 0.00 H new ATOM 0 HA ASN B 756 10.875 18.517 2.061 1.00 0.00 H new ATOM 0 HB2 ASN B 756 10.756 18.806 -0.426 1.00 0.00 H new ATOM 0 HB3 ASN B 756 9.123 19.423 -0.275 1.00 0.00 H new ATOM 0 HD21 ASN B 756 11.414 22.417 -0.312 1.00 0.00 H new ATOM 0 HD22 ASN B 756 10.994 21.125 -1.441 1.00 0.00 H new ATOM 800 N ILE B 757 7.644 19.247 2.102 1.00 0.00 N ATOM 801 CA ILE B 757 6.614 19.927 2.881 1.00 0.00 C ATOM 802 C ILE B 757 6.460 19.287 4.255 1.00 0.00 C ATOM 803 O ILE B 757 6.465 19.971 5.277 1.00 0.00 O ATOM 804 CB ILE B 757 5.277 19.867 2.140 1.00 0.00 C ATOM 805 CG1 ILE B 757 5.488 20.291 0.687 1.00 0.00 C ATOM 806 CG2 ILE B 757 4.278 20.819 2.810 1.00 0.00 C ATOM 807 CD1 ILE B 757 4.133 20.601 0.030 1.00 0.00 C ATOM 0 H ILE B 757 7.296 18.725 1.298 1.00 0.00 H new ATOM 0 HA ILE B 757 6.916 20.966 3.012 1.00 0.00 H new ATOM 0 HB ILE B 757 4.886 18.850 2.172 1.00 0.00 H new ATOM 0 HG12 ILE B 757 6.132 21.170 0.645 1.00 0.00 H new ATOM 0 HG13 ILE B 757 5.995 19.498 0.138 1.00 0.00 H new ATOM 0 HG21 ILE B 757 3.325 20.777 2.282 1.00 0.00 H new ATOM 0 HG22 ILE B 757 4.132 20.521 3.848 1.00 0.00 H new ATOM 0 HG23 ILE B 757 4.667 21.837 2.776 1.00 0.00 H new ATOM 0 HD11 ILE B 757 4.291 20.903 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE B 757 3.504 19.711 0.057 1.00 0.00 H new ATOM 0 HD13 ILE B 757 3.642 21.409 0.572 1.00 0.00 H new ATOM 819 N THR B 758 6.330 17.977 4.267 1.00 0.00 N ATOM 820 CA THR B 758 6.171 17.243 5.523 1.00 0.00 C ATOM 821 C THR B 758 7.402 17.427 6.402 1.00 0.00 C ATOM 822 O THR B 758 7.392 17.085 7.585 1.00 0.00 O ATOM 823 CB THR B 758 5.937 15.750 5.237 1.00 0.00 C ATOM 824 OG1 THR B 758 5.089 15.206 6.241 1.00 0.00 O ATOM 825 CG2 THR B 758 7.267 14.992 5.227 1.00 0.00 C ATOM 0 H THR B 758 6.330 17.393 3.431 1.00 0.00 H new ATOM 0 HA THR B 758 5.304 17.638 6.053 1.00 0.00 H new ATOM 0 HB THR B 758 5.468 15.647 4.259 1.00 0.00 H new ATOM 0 HG1 THR B 758 4.372 14.688 5.818 1.00 0.00 H new ATOM 0 HG21 THR B 758 7.083 13.937 5.023 1.00 0.00 H new ATOM 0 HG22 THR B 758 7.915 15.404 4.453 1.00 0.00 H new ATOM 0 HG23 THR B 758 7.752 15.095 6.198 1.00 0.00 H new