USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 446 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 709 SER OG : rot 71:sc= 1.15 USER MOD Single : B 712 CYS SG : rot 180:sc= 0 USER MOD Single : B 716 LYS NZ :NH3+ -163:sc= -0.0147 (180deg=-0.306) USER MOD Single : B 720 THR OG1 : rot 180:sc= 0 USER MOD Single : B 722 HIS : no HE2:sc= 0.271 K(o=0.27,f=-1.3) USER MOD Single : B 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 741 THR OG1 : rot -42:sc=0.000699 USER MOD Single : B 743 ASN : amide:sc= -1.45 K(o=-1.5,f=-2!) USER MOD Single : B 744 ASN : amide:sc= -7.22! C(o=-7.2!,f=-18!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ -164:sc= -0.0474 (180deg=-0.46) USER MOD Single : B 751 THR OG1 : rot 74:sc= 0.0951 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 77:sc= 1.15 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0 USER MOD Single : B 756 ASN : amide:sc=-0.00236 X(o=-0.0024,f=0) USER MOD Single : B 758 THR OG1 : rot 180:sc= 0 USER MOD Single : B 759 TYR OH : rot 180:sc= 0 USER MOD Single : B 762 THR OG1 : rot -7:sc= 0.413! USER MOD ----------------------------------------------------------------- ATOM 1 N SER B 709 -20.799 -5.543 18.958 1.00 0.00 N ATOM 2 CA SER B 709 -19.337 -5.764 18.774 1.00 0.00 C ATOM 3 C SER B 709 -19.105 -6.594 17.514 1.00 0.00 C ATOM 4 O SER B 709 -18.458 -7.640 17.559 1.00 0.00 O ATOM 5 CB SER B 709 -18.777 -6.496 19.992 1.00 0.00 C ATOM 6 OG SER B 709 -19.101 -7.876 19.901 1.00 0.00 O ATOM 0 HA SER B 709 -18.830 -4.805 18.669 1.00 0.00 H new ATOM 0 HB2 SER B 709 -17.696 -6.367 20.043 1.00 0.00 H new ATOM 0 HB3 SER B 709 -19.192 -6.073 20.907 1.00 0.00 H new ATOM 0 HG SER B 709 -18.569 -8.291 19.190 1.00 0.00 H new ATOM 12 N PRO B 710 -19.623 -6.145 16.400 1.00 0.00 N ATOM 13 CA PRO B 710 -19.474 -6.858 15.095 1.00 0.00 C ATOM 14 C PRO B 710 -18.025 -6.865 14.609 1.00 0.00 C ATOM 15 O PRO B 710 -17.642 -7.692 13.782 1.00 0.00 O ATOM 16 CB PRO B 710 -20.383 -6.063 14.138 1.00 0.00 C ATOM 17 CG PRO B 710 -20.496 -4.701 14.750 1.00 0.00 C ATOM 18 CD PRO B 710 -20.409 -4.907 16.261 1.00 0.00 C ATOM 0 HA PRO B 710 -19.749 -7.910 15.165 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -19.953 -6.011 13.138 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -21.361 -6.534 14.041 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -19.697 -4.048 14.399 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -21.438 -4.227 14.475 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -19.921 -4.065 16.752 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -21.398 -5.008 16.709 1.00 0.00 H new ATOM 26 N GLU B 711 -17.228 -5.938 15.128 1.00 0.00 N ATOM 27 CA GLU B 711 -15.830 -5.843 14.732 1.00 0.00 C ATOM 28 C GLU B 711 -15.098 -7.141 15.048 1.00 0.00 C ATOM 29 O GLU B 711 -14.187 -7.542 14.321 1.00 0.00 O ATOM 30 CB GLU B 711 -15.158 -4.677 15.463 1.00 0.00 C ATOM 31 CG GLU B 711 -13.733 -4.494 14.934 1.00 0.00 C ATOM 32 CD GLU B 711 -13.062 -3.324 15.642 1.00 0.00 C ATOM 33 OE1 GLU B 711 -12.623 -3.510 16.766 1.00 0.00 O ATOM 34 OE2 GLU B 711 -12.994 -2.258 15.052 1.00 0.00 O ATOM 0 H GLU B 711 -17.523 -5.247 15.818 1.00 0.00 H new ATOM 0 HA GLU B 711 -15.784 -5.668 13.657 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -15.732 -3.762 15.315 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -15.137 -4.870 16.536 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -13.157 -5.405 15.094 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -13.755 -4.315 13.859 1.00 0.00 H new ATOM 41 N CYS B 712 -15.499 -7.793 16.132 1.00 0.00 N ATOM 42 CA CYS B 712 -14.872 -9.048 16.529 1.00 0.00 C ATOM 43 C CYS B 712 -15.041 -10.101 15.435 1.00 0.00 C ATOM 44 O CYS B 712 -14.115 -10.851 15.133 1.00 0.00 O ATOM 45 CB CYS B 712 -15.491 -9.547 17.846 1.00 0.00 C ATOM 46 SG CYS B 712 -14.229 -10.392 18.834 1.00 0.00 S ATOM 0 H CYS B 712 -16.249 -7.478 16.747 1.00 0.00 H new ATOM 0 HA CYS B 712 -13.806 -8.875 16.678 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -15.903 -8.708 18.406 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -16.317 -10.226 17.636 1.00 0.00 H new ATOM 0 HG CYS B 712 -14.756 -10.810 19.946 1.00 0.00 H new ATOM 52 N LEU B 713 -16.232 -10.149 14.854 1.00 0.00 N ATOM 53 CA LEU B 713 -16.516 -11.117 13.804 1.00 0.00 C ATOM 54 C LEU B 713 -15.618 -10.875 12.601 1.00 0.00 C ATOM 55 O LEU B 713 -15.098 -11.818 12.004 1.00 0.00 O ATOM 56 CB LEU B 713 -17.985 -11.006 13.383 1.00 0.00 C ATOM 57 CG LEU B 713 -18.890 -11.490 14.527 1.00 0.00 C ATOM 58 CD1 LEU B 713 -20.332 -11.053 14.251 1.00 0.00 C ATOM 59 CD2 LEU B 713 -18.838 -13.027 14.645 1.00 0.00 C ATOM 0 H LEU B 713 -17.011 -9.534 15.089 1.00 0.00 H new ATOM 0 HA LEU B 713 -16.323 -12.118 14.189 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -18.224 -9.973 13.130 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -18.163 -11.603 12.488 1.00 0.00 H new ATOM 0 HG LEU B 713 -18.539 -11.053 15.462 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -20.977 -11.395 15.061 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -20.377 -9.966 14.186 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -20.670 -11.487 13.310 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -19.485 -13.351 15.460 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -19.178 -13.475 13.711 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -17.814 -13.342 14.847 1.00 0.00 H new ATOM 71 N ILE B 714 -15.435 -9.609 12.254 1.00 0.00 N ATOM 72 CA ILE B 714 -14.593 -9.256 11.117 1.00 0.00 C ATOM 73 C ILE B 714 -13.148 -9.664 11.376 1.00 0.00 C ATOM 74 O ILE B 714 -12.480 -10.210 10.499 1.00 0.00 O ATOM 75 CB ILE B 714 -14.664 -7.753 10.862 1.00 0.00 C ATOM 76 CG1 ILE B 714 -16.129 -7.327 10.752 1.00 0.00 C ATOM 77 CG2 ILE B 714 -13.938 -7.417 9.557 1.00 0.00 C ATOM 78 CD1 ILE B 714 -16.869 -8.167 9.700 1.00 0.00 C ATOM 0 H ILE B 714 -15.854 -8.814 12.738 1.00 0.00 H new ATOM 0 HA ILE B 714 -14.957 -9.789 10.239 1.00 0.00 H new ATOM 0 HB ILE B 714 -14.188 -7.223 11.687 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -16.617 -7.438 11.720 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -16.186 -6.272 10.485 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -13.990 -6.343 9.378 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -12.894 -7.722 9.632 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -14.412 -7.946 8.730 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -17.908 -7.844 9.642 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -16.393 -8.035 8.728 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -16.831 -9.219 9.982 1.00 0.00 H new ATOM 90 N TRP B 715 -12.671 -9.397 12.584 1.00 0.00 N ATOM 91 CA TRP B 715 -11.301 -9.741 12.940 1.00 0.00 C ATOM 92 C TRP B 715 -11.057 -11.237 12.765 1.00 0.00 C ATOM 93 O TRP B 715 -10.040 -11.650 12.205 1.00 0.00 O ATOM 94 CB TRP B 715 -11.030 -9.349 14.394 1.00 0.00 C ATOM 95 CG TRP B 715 -9.610 -9.663 14.738 1.00 0.00 C ATOM 96 CD1 TRP B 715 -9.208 -10.700 15.507 1.00 0.00 C ATOM 97 CD2 TRP B 715 -8.400 -8.953 14.343 1.00 0.00 C ATOM 98 NE1 TRP B 715 -7.828 -10.673 15.608 1.00 0.00 N ATOM 99 CE2 TRP B 715 -7.285 -9.615 14.907 1.00 0.00 C ATOM 100 CE3 TRP B 715 -8.166 -7.812 13.556 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -5.982 -9.160 14.698 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -6.856 -7.350 13.344 1.00 0.00 C ATOM 103 CH2 TRP B 715 -5.767 -8.024 13.914 1.00 0.00 C ATOM 0 H TRP B 715 -13.206 -8.948 13.327 1.00 0.00 H new ATOM 0 HA TRP B 715 -10.627 -9.196 12.280 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -11.224 -8.286 14.537 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -11.704 -9.888 15.059 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -9.858 -11.430 15.967 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -7.279 -11.352 16.136 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -8.999 -7.287 13.111 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -5.146 -9.682 15.139 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -6.687 -6.471 12.739 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -4.762 -7.665 13.747 1.00 0.00 H new ATOM 114 N LYS B 716 -11.997 -12.045 13.240 1.00 0.00 N ATOM 115 CA LYS B 716 -11.873 -13.495 13.132 1.00 0.00 C ATOM 116 C LYS B 716 -11.795 -13.917 11.670 1.00 0.00 C ATOM 117 O LYS B 716 -11.048 -14.831 11.318 1.00 0.00 O ATOM 118 CB LYS B 716 -13.071 -14.176 13.800 1.00 0.00 C ATOM 119 CG LYS B 716 -13.008 -13.958 15.313 1.00 0.00 C ATOM 120 CD LYS B 716 -14.211 -14.631 15.978 1.00 0.00 C ATOM 121 CE LYS B 716 -14.183 -14.359 17.483 1.00 0.00 C ATOM 122 NZ LYS B 716 -13.019 -15.063 18.092 1.00 0.00 N ATOM 0 H LYS B 716 -12.849 -11.725 13.701 1.00 0.00 H new ATOM 0 HA LYS B 716 -10.956 -13.800 13.637 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -14.001 -13.770 13.402 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -13.067 -15.243 13.576 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -12.081 -14.370 15.712 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -13.005 -12.891 15.537 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -15.137 -14.252 15.547 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -14.189 -15.705 15.792 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -14.112 -13.287 17.669 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -15.110 -14.701 17.943 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -13.151 -15.126 19.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -12.945 -16.021 17.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -12.147 -14.535 17.886 1.00 0.00 H new ATOM 136 N LEU B 717 -12.567 -13.249 10.827 1.00 0.00 N ATOM 137 CA LEU B 717 -12.577 -13.571 9.408 1.00 0.00 C ATOM 138 C LEU B 717 -11.179 -13.405 8.828 1.00 0.00 C ATOM 139 O LEU B 717 -10.747 -14.197 7.989 1.00 0.00 O ATOM 140 CB LEU B 717 -13.559 -12.657 8.664 1.00 0.00 C ATOM 141 CG LEU B 717 -13.552 -12.984 7.162 1.00 0.00 C ATOM 142 CD1 LEU B 717 -13.938 -14.456 6.941 1.00 0.00 C ATOM 143 CD2 LEU B 717 -14.550 -12.072 6.442 1.00 0.00 C ATOM 0 H LEU B 717 -13.189 -12.487 11.097 1.00 0.00 H new ATOM 0 HA LEU B 717 -12.895 -14.606 9.286 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -14.564 -12.785 9.067 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -13.284 -11.613 8.818 1.00 0.00 H new ATOM 0 HG LEU B 717 -12.552 -12.820 6.761 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -13.930 -14.678 5.874 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -13.222 -15.100 7.451 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -14.936 -14.635 7.341 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -14.548 -12.300 5.376 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -15.549 -12.235 6.846 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -14.264 -11.031 6.590 1.00 0.00 H new ATOM 155 N LEU B 718 -10.482 -12.373 9.274 1.00 0.00 N ATOM 156 CA LEU B 718 -9.137 -12.114 8.788 1.00 0.00 C ATOM 157 C LEU B 718 -8.220 -13.282 9.126 1.00 0.00 C ATOM 158 O LEU B 718 -7.354 -13.653 8.334 1.00 0.00 O ATOM 159 CB LEU B 718 -8.584 -10.826 9.410 1.00 0.00 C ATOM 160 CG LEU B 718 -7.132 -10.598 8.957 1.00 0.00 C ATOM 161 CD1 LEU B 718 -7.059 -10.556 7.422 1.00 0.00 C ATOM 162 CD2 LEU B 718 -6.626 -9.274 9.534 1.00 0.00 C ATOM 0 H LEU B 718 -10.822 -11.706 9.966 1.00 0.00 H new ATOM 0 HA LEU B 718 -9.179 -11.996 7.705 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -9.202 -9.977 9.116 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -8.628 -10.891 10.497 1.00 0.00 H new ATOM 0 HG LEU B 718 -6.509 -11.417 9.317 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -6.027 -10.394 7.111 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -7.417 -11.502 7.015 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -7.682 -9.742 7.050 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -5.597 -9.108 9.216 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -7.253 -8.458 9.175 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -6.667 -9.312 10.623 1.00 0.00 H new ATOM 174 N ILE B 719 -8.403 -13.853 10.313 1.00 0.00 N ATOM 175 CA ILE B 719 -7.566 -14.964 10.748 1.00 0.00 C ATOM 176 C ILE B 719 -7.710 -16.140 9.789 1.00 0.00 C ATOM 177 O ILE B 719 -6.721 -16.766 9.407 1.00 0.00 O ATOM 178 CB ILE B 719 -7.987 -15.401 12.149 1.00 0.00 C ATOM 179 CG1 ILE B 719 -8.029 -14.179 13.068 1.00 0.00 C ATOM 180 CG2 ILE B 719 -6.978 -16.413 12.699 1.00 0.00 C ATOM 181 CD1 ILE B 719 -6.700 -13.420 13.029 1.00 0.00 C ATOM 0 H ILE B 719 -9.116 -13.568 10.984 1.00 0.00 H new ATOM 0 HA ILE B 719 -6.526 -14.639 10.759 1.00 0.00 H new ATOM 0 HB ILE B 719 -8.973 -15.862 12.103 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -8.839 -13.517 12.763 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -8.242 -14.494 14.089 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -7.282 -16.723 13.699 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -6.943 -17.284 12.045 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -5.991 -15.954 12.746 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -6.755 -12.555 13.691 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -5.896 -14.078 13.358 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -6.502 -13.086 12.011 1.00 0.00 H new ATOM 193 N THR B 720 -8.944 -16.433 9.401 1.00 0.00 N ATOM 194 CA THR B 720 -9.198 -17.537 8.481 1.00 0.00 C ATOM 195 C THR B 720 -8.525 -17.279 7.136 1.00 0.00 C ATOM 196 O THR B 720 -7.891 -18.168 6.571 1.00 0.00 O ATOM 197 CB THR B 720 -10.705 -17.708 8.273 1.00 0.00 C ATOM 198 OG1 THR B 720 -11.352 -17.742 9.537 1.00 0.00 O ATOM 199 CG2 THR B 720 -10.973 -19.013 7.521 1.00 0.00 C ATOM 0 H THR B 720 -9.777 -15.929 9.704 1.00 0.00 H new ATOM 0 HA THR B 720 -8.785 -18.448 8.914 1.00 0.00 H new ATOM 0 HB THR B 720 -11.091 -16.872 7.690 1.00 0.00 H new ATOM 0 HG1 THR B 720 -12.317 -17.850 9.408 1.00 0.00 H new ATOM 0 HG21 THR B 720 -12.046 -19.134 7.373 1.00 0.00 H new ATOM 0 HG22 THR B 720 -10.474 -18.984 6.552 1.00 0.00 H new ATOM 0 HG23 THR B 720 -10.590 -19.852 8.101 1.00 0.00 H new ATOM 207 N ILE B 721 -8.668 -16.059 6.628 1.00 0.00 N ATOM 208 CA ILE B 721 -8.072 -15.701 5.346 1.00 0.00 C ATOM 209 C ILE B 721 -6.550 -15.797 5.419 1.00 0.00 C ATOM 210 O ILE B 721 -5.906 -16.312 4.506 1.00 0.00 O ATOM 211 CB ILE B 721 -8.480 -14.275 4.964 1.00 0.00 C ATOM 212 CG1 ILE B 721 -9.986 -14.234 4.688 1.00 0.00 C ATOM 213 CG2 ILE B 721 -7.721 -13.842 3.703 1.00 0.00 C ATOM 214 CD1 ILE B 721 -10.451 -12.779 4.610 1.00 0.00 C ATOM 0 H ILE B 721 -9.187 -15.307 7.080 1.00 0.00 H new ATOM 0 HA ILE B 721 -8.432 -16.397 4.588 1.00 0.00 H new ATOM 0 HB ILE B 721 -8.238 -13.598 5.783 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -10.209 -14.749 3.754 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -10.526 -14.758 5.477 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -8.013 -12.827 3.433 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -6.649 -13.872 3.896 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -7.962 -14.519 2.883 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -11.523 -12.750 4.414 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -10.242 -12.279 5.556 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -9.921 -12.270 3.805 1.00 0.00 H new ATOM 226 N HIS B 722 -5.985 -15.297 6.512 1.00 0.00 N ATOM 227 CA HIS B 722 -4.539 -15.328 6.695 1.00 0.00 C ATOM 228 C HIS B 722 -4.031 -16.766 6.682 1.00 0.00 C ATOM 229 O HIS B 722 -2.951 -17.049 6.164 1.00 0.00 O ATOM 230 CB HIS B 722 -4.163 -14.666 8.021 1.00 0.00 C ATOM 231 CG HIS B 722 -2.665 -14.629 8.155 1.00 0.00 C ATOM 232 ND1 HIS B 722 -1.881 -13.736 7.441 1.00 0.00 N ATOM 233 CD2 HIS B 722 -1.793 -15.367 8.918 1.00 0.00 C ATOM 234 CE1 HIS B 722 -0.598 -13.958 7.785 1.00 0.00 C ATOM 235 NE2 HIS B 722 -0.490 -14.942 8.682 1.00 0.00 N ATOM 0 H HIS B 722 -6.502 -14.868 7.280 1.00 0.00 H new ATOM 0 HA HIS B 722 -4.076 -14.781 5.874 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -4.568 -13.655 8.063 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -4.600 -15.219 8.853 1.00 0.00 H new ATOM 0 HD1 HIS B 722 -2.215 -13.038 6.776 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -2.076 -16.157 9.598 1.00 0.00 H new ATOM 0 HE1 HIS B 722 0.241 -13.408 7.385 1.00 0.00 H new ATOM 244 N ASP B 723 -4.815 -17.671 7.258 1.00 0.00 N ATOM 245 CA ASP B 723 -4.429 -19.077 7.313 1.00 0.00 C ATOM 246 C ASP B 723 -4.486 -19.704 5.924 1.00 0.00 C ATOM 247 O ASP B 723 -3.865 -20.737 5.672 1.00 0.00 O ATOM 248 CB ASP B 723 -5.369 -19.838 8.251 1.00 0.00 C ATOM 249 CG ASP B 723 -5.110 -19.426 9.696 1.00 0.00 C ATOM 250 OD1 ASP B 723 -4.117 -18.760 9.932 1.00 0.00 O ATOM 251 OD2 ASP B 723 -5.911 -19.784 10.545 1.00 0.00 O ATOM 0 H ASP B 723 -5.714 -17.459 7.690 1.00 0.00 H new ATOM 0 HA ASP B 723 -3.407 -19.139 7.687 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -6.406 -19.632 7.986 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -5.218 -20.912 8.138 1.00 0.00 H new ATOM 256 N ARG B 724 -5.229 -19.068 5.022 1.00 0.00 N ATOM 257 CA ARG B 724 -5.353 -19.563 3.654 1.00 0.00 C ATOM 258 C ARG B 724 -4.206 -19.047 2.792 1.00 0.00 C ATOM 259 O ARG B 724 -3.666 -17.969 3.038 1.00 0.00 O ATOM 260 CB ARG B 724 -6.686 -19.116 3.054 1.00 0.00 C ATOM 261 CG ARG B 724 -7.830 -19.857 3.748 1.00 0.00 C ATOM 262 CD ARG B 724 -9.169 -19.326 3.233 1.00 0.00 C ATOM 263 NE ARG B 724 -9.300 -19.593 1.803 1.00 0.00 N ATOM 264 CZ ARG B 724 -9.775 -20.753 1.357 1.00 0.00 C ATOM 265 NH1 ARG B 724 -10.133 -21.680 2.203 1.00 0.00 N ATOM 266 NH2 ARG B 724 -9.882 -20.964 0.074 1.00 0.00 N ATOM 0 H ARG B 724 -5.752 -18.213 5.212 1.00 0.00 H new ATOM 0 HA ARG B 724 -5.314 -20.652 3.677 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -6.809 -18.040 3.175 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -6.702 -19.320 1.983 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -7.753 -20.927 3.556 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -7.764 -19.721 4.827 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -9.989 -19.798 3.775 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -9.239 -18.254 3.418 1.00 0.00 H new ATOM 0 HE ARG B 724 -9.022 -18.876 1.133 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -10.049 -21.515 3.206 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -10.497 -22.569 1.861 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -9.601 -20.240 -0.587 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -10.246 -21.853 -0.268 1.00 0.00 H new ATOM 280 N LYS B 725 -3.843 -19.824 1.780 1.00 0.00 N ATOM 281 CA LYS B 725 -2.761 -19.441 0.880 1.00 0.00 C ATOM 282 C LYS B 725 -3.168 -18.241 0.032 1.00 0.00 C ATOM 283 O LYS B 725 -2.318 -17.538 -0.514 1.00 0.00 O ATOM 284 CB LYS B 725 -2.401 -20.611 -0.031 1.00 0.00 C ATOM 285 CG LYS B 725 -1.730 -21.713 0.792 1.00 0.00 C ATOM 286 CD LYS B 725 -1.502 -22.952 -0.085 1.00 0.00 C ATOM 287 CE LYS B 725 -0.308 -22.724 -1.019 1.00 0.00 C ATOM 288 NZ LYS B 725 0.060 -24.009 -1.674 1.00 0.00 N ATOM 0 H LYS B 725 -4.279 -20.720 1.561 1.00 0.00 H new ATOM 0 HA LYS B 725 -1.894 -19.169 1.482 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -3.298 -20.999 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -1.732 -20.276 -0.823 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -0.779 -21.356 1.187 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -2.354 -21.972 1.647 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -1.321 -23.824 0.544 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -2.397 -23.162 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -0.559 -21.978 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS B 725 0.540 -22.335 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 0.870 -23.856 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 0.316 -24.708 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -0.749 -24.362 -2.224 1.00 0.00 H new ATOM 302 N GLU B 726 -4.472 -18.017 -0.080 1.00 0.00 N ATOM 303 CA GLU B 726 -4.982 -16.904 -0.872 1.00 0.00 C ATOM 304 C GLU B 726 -4.428 -15.583 -0.350 1.00 0.00 C ATOM 305 O GLU B 726 -4.173 -14.657 -1.121 1.00 0.00 O ATOM 306 CB GLU B 726 -6.511 -16.879 -0.808 1.00 0.00 C ATOM 307 CG GLU B 726 -7.075 -18.148 -1.452 1.00 0.00 C ATOM 308 CD GLU B 726 -6.764 -18.161 -2.944 1.00 0.00 C ATOM 309 OE1 GLU B 726 -6.494 -17.099 -3.482 1.00 0.00 O ATOM 310 OE2 GLU B 726 -6.797 -19.231 -3.527 1.00 0.00 O ATOM 0 H GLU B 726 -5.192 -18.587 0.364 1.00 0.00 H new ATOM 0 HA GLU B 726 -4.663 -17.037 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -6.840 -16.809 0.229 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -6.892 -15.998 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -6.645 -19.029 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -8.153 -18.196 -1.297 1.00 0.00 H new ATOM 317 N PHE B 727 -4.240 -15.502 0.962 1.00 0.00 N ATOM 318 CA PHE B 727 -3.709 -14.289 1.574 1.00 0.00 C ATOM 319 C PHE B 727 -2.317 -13.979 1.031 1.00 0.00 C ATOM 320 O PHE B 727 -2.014 -12.836 0.690 1.00 0.00 O ATOM 321 CB PHE B 727 -3.642 -14.457 3.092 1.00 0.00 C ATOM 322 CG PHE B 727 -3.049 -13.212 3.710 1.00 0.00 C ATOM 323 CD1 PHE B 727 -3.823 -12.052 3.827 1.00 0.00 C ATOM 324 CD2 PHE B 727 -1.724 -13.218 4.166 1.00 0.00 C ATOM 325 CE1 PHE B 727 -3.274 -10.898 4.400 1.00 0.00 C ATOM 326 CE2 PHE B 727 -1.176 -12.064 4.739 1.00 0.00 C ATOM 327 CZ PHE B 727 -1.951 -10.904 4.856 1.00 0.00 C ATOM 0 H PHE B 727 -4.445 -16.255 1.618 1.00 0.00 H new ATOM 0 HA PHE B 727 -4.374 -13.460 1.330 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -4.640 -14.636 3.493 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -3.036 -15.326 3.346 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -4.844 -12.047 3.475 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -1.126 -14.113 4.075 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -3.872 -10.003 4.490 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -0.155 -12.069 5.091 1.00 0.00 H new ATOM 0 HZ PHE B 727 -1.528 -10.014 5.298 1.00 0.00 H new ATOM 337 N ALA B 728 -1.473 -15.004 0.955 1.00 0.00 N ATOM 338 CA ALA B 728 -0.117 -14.826 0.454 1.00 0.00 C ATOM 339 C ALA B 728 -0.140 -14.355 -0.996 1.00 0.00 C ATOM 340 O ALA B 728 0.660 -13.509 -1.395 1.00 0.00 O ATOM 341 CB ALA B 728 0.652 -16.146 0.553 1.00 0.00 C ATOM 0 H ALA B 728 -1.703 -15.958 1.232 1.00 0.00 H new ATOM 0 HA ALA B 728 0.380 -14.069 1.061 1.00 0.00 H new ATOM 0 HB1 ALA B 728 1.665 -16.006 0.177 1.00 0.00 H new ATOM 0 HB2 ALA B 728 0.693 -16.466 1.594 1.00 0.00 H new ATOM 0 HB3 ALA B 728 0.146 -16.907 -0.041 1.00 0.00 H new ATOM 347 N LYS B 729 -1.059 -14.907 -1.780 1.00 0.00 N ATOM 348 CA LYS B 729 -1.173 -14.534 -3.187 1.00 0.00 C ATOM 349 C LYS B 729 -1.544 -13.063 -3.324 1.00 0.00 C ATOM 350 O LYS B 729 -0.964 -12.342 -4.136 1.00 0.00 O ATOM 351 CB LYS B 729 -2.239 -15.394 -3.860 1.00 0.00 C ATOM 352 CG LYS B 729 -1.847 -16.874 -3.774 1.00 0.00 C ATOM 353 CD LYS B 729 -0.597 -17.149 -4.621 1.00 0.00 C ATOM 354 CE LYS B 729 -0.482 -18.646 -4.898 1.00 0.00 C ATOM 355 NZ LYS B 729 0.699 -18.889 -5.771 1.00 0.00 N ATOM 0 H LYS B 729 -1.731 -15.609 -1.470 1.00 0.00 H new ATOM 0 HA LYS B 729 -0.209 -14.698 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -3.204 -15.236 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -2.352 -15.099 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -1.657 -17.146 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -2.672 -17.496 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -0.654 -16.599 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS B 729 0.293 -16.797 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -0.377 -19.195 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -1.389 -19.010 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 0.784 -19.907 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 0.580 -18.375 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 1.559 -18.554 -5.292 1.00 0.00 H new ATOM 369 N PHE B 730 -2.506 -12.622 -2.521 1.00 0.00 N ATOM 370 CA PHE B 730 -2.943 -11.235 -2.553 1.00 0.00 C ATOM 371 C PHE B 730 -1.791 -10.305 -2.185 1.00 0.00 C ATOM 372 O PHE B 730 -1.600 -9.260 -2.809 1.00 0.00 O ATOM 373 CB PHE B 730 -4.105 -11.030 -1.585 1.00 0.00 C ATOM 374 CG PHE B 730 -4.560 -9.593 -1.647 1.00 0.00 C ATOM 375 CD1 PHE B 730 -5.432 -9.178 -2.660 1.00 0.00 C ATOM 376 CD2 PHE B 730 -4.107 -8.675 -0.695 1.00 0.00 C ATOM 377 CE1 PHE B 730 -5.854 -7.846 -2.718 1.00 0.00 C ATOM 378 CE2 PHE B 730 -4.527 -7.344 -0.751 1.00 0.00 C ATOM 379 CZ PHE B 730 -5.400 -6.926 -1.763 1.00 0.00 C ATOM 0 H PHE B 730 -2.996 -13.205 -1.842 1.00 0.00 H new ATOM 0 HA PHE B 730 -3.274 -10.999 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -4.929 -11.695 -1.842 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -3.797 -11.282 -0.570 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -5.779 -9.887 -3.397 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -3.432 -8.995 0.085 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -6.529 -7.526 -3.498 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -4.178 -6.637 -0.013 1.00 0.00 H new ATOM 0 HZ PHE B 730 -5.723 -5.896 -1.808 1.00 0.00 H new ATOM 389 N GLU B 731 -1.030 -10.690 -1.165 1.00 0.00 N ATOM 390 CA GLU B 731 0.095 -9.878 -0.718 1.00 0.00 C ATOM 391 C GLU B 731 1.077 -9.638 -1.862 1.00 0.00 C ATOM 392 O GLU B 731 1.545 -8.517 -2.061 1.00 0.00 O ATOM 393 CB GLU B 731 0.814 -10.578 0.434 1.00 0.00 C ATOM 394 CG GLU B 731 -0.028 -10.472 1.706 1.00 0.00 C ATOM 395 CD GLU B 731 -0.066 -9.027 2.196 1.00 0.00 C ATOM 396 OE1 GLU B 731 0.683 -8.222 1.666 1.00 0.00 O ATOM 397 OE2 GLU B 731 -0.839 -8.748 3.097 1.00 0.00 O ATOM 0 H GLU B 731 -1.170 -11.551 -0.637 1.00 0.00 H new ATOM 0 HA GLU B 731 -0.289 -8.916 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU B 731 0.985 -11.625 0.186 1.00 0.00 H new ATOM 0 HB3 GLU B 731 1.792 -10.124 0.595 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -1.041 -10.824 1.510 1.00 0.00 H new ATOM 0 HG3 GLU B 731 0.389 -11.115 2.481 1.00 0.00 H new ATOM 404 N GLU B 732 1.382 -10.693 -2.611 1.00 0.00 N ATOM 405 CA GLU B 732 2.304 -10.577 -3.730 1.00 0.00 C ATOM 406 C GLU B 732 1.727 -9.658 -4.803 1.00 0.00 C ATOM 407 O GLU B 732 2.448 -8.859 -5.402 1.00 0.00 O ATOM 408 CB GLU B 732 2.569 -11.959 -4.325 1.00 0.00 C ATOM 409 CG GLU B 732 3.301 -12.822 -3.297 1.00 0.00 C ATOM 410 CD GLU B 732 3.560 -14.211 -3.871 1.00 0.00 C ATOM 411 OE1 GLU B 732 3.244 -14.419 -5.031 1.00 0.00 O ATOM 412 OE2 GLU B 732 4.073 -15.045 -3.144 1.00 0.00 O ATOM 0 H GLU B 732 1.006 -11.630 -2.463 1.00 0.00 H new ATOM 0 HA GLU B 732 3.240 -10.150 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU B 732 1.629 -12.431 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU B 732 3.167 -11.868 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU B 732 4.245 -12.352 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU B 732 2.706 -12.901 -2.387 1.00 0.00 H new ATOM 419 N GLU B 733 0.425 -9.775 -5.040 1.00 0.00 N ATOM 420 CA GLU B 733 -0.238 -8.947 -6.041 1.00 0.00 C ATOM 421 C GLU B 733 -0.280 -7.491 -5.589 1.00 0.00 C ATOM 422 O GLU B 733 -0.149 -6.576 -6.400 1.00 0.00 O ATOM 423 CB GLU B 733 -1.664 -9.455 -6.280 1.00 0.00 C ATOM 424 CG GLU B 733 -1.615 -10.832 -6.948 1.00 0.00 C ATOM 425 CD GLU B 733 -1.057 -10.706 -8.363 1.00 0.00 C ATOM 426 OE1 GLU B 733 -1.111 -9.614 -8.905 1.00 0.00 O ATOM 427 OE2 GLU B 733 -0.582 -11.703 -8.882 1.00 0.00 O ATOM 0 H GLU B 733 -0.189 -10.430 -4.556 1.00 0.00 H new ATOM 0 HA GLU B 733 0.328 -9.009 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -2.202 -9.518 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -2.210 -8.753 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -0.993 -11.508 -6.362 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -2.614 -11.266 -6.980 1.00 0.00 H new ATOM 434 N ARG B 734 -0.469 -7.285 -4.289 1.00 0.00 N ATOM 435 CA ARG B 734 -0.533 -5.934 -3.746 1.00 0.00 C ATOM 436 C ARG B 734 0.776 -5.197 -3.999 1.00 0.00 C ATOM 437 O ARG B 734 0.779 -4.034 -4.404 1.00 0.00 O ATOM 438 CB ARG B 734 -0.805 -5.993 -2.241 1.00 0.00 C ATOM 439 CG ARG B 734 -0.975 -4.573 -1.692 1.00 0.00 C ATOM 440 CD ARG B 734 -1.263 -4.635 -0.192 1.00 0.00 C ATOM 441 NE ARG B 734 -1.595 -3.307 0.310 1.00 0.00 N ATOM 442 CZ ARG B 734 -1.561 -3.036 1.611 1.00 0.00 C ATOM 443 NH1 ARG B 734 -1.224 -3.966 2.462 1.00 0.00 N ATOM 444 NH2 ARG B 734 -1.863 -1.840 2.036 1.00 0.00 N ATOM 0 H ARG B 734 -0.579 -8.028 -3.599 1.00 0.00 H new ATOM 0 HA ARG B 734 -1.342 -5.397 -4.242 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -1.704 -6.579 -2.047 1.00 0.00 H new ATOM 0 HB3 ARG B 734 0.018 -6.494 -1.732 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -0.072 -3.991 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -1.791 -4.068 -2.209 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -2.088 -5.321 -0.000 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -0.394 -5.025 0.337 1.00 0.00 H new ATOM 0 HE ARG B 734 -1.858 -2.573 -0.348 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -0.987 -4.900 2.129 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -1.198 -3.759 3.460 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -2.125 -1.113 1.370 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -1.837 -1.632 3.034 1.00 0.00 H new ATOM 458 N ALA B 735 1.887 -5.882 -3.757 1.00 0.00 N ATOM 459 CA ALA B 735 3.201 -5.282 -3.966 1.00 0.00 C ATOM 460 C ALA B 735 3.406 -4.947 -5.436 1.00 0.00 C ATOM 461 O ALA B 735 3.995 -3.926 -5.769 1.00 0.00 O ATOM 462 CB ALA B 735 4.298 -6.240 -3.499 1.00 0.00 C ATOM 0 H ALA B 735 1.906 -6.844 -3.419 1.00 0.00 H new ATOM 0 HA ALA B 735 3.255 -4.362 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA B 735 5.274 -5.782 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA B 735 4.168 -6.453 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA B 735 4.235 -7.169 -4.066 1.00 0.00 H new ATOM 468 N ARG B 736 2.919 -5.813 -6.316 1.00 0.00 N ATOM 469 CA ARG B 736 3.051 -5.589 -7.744 1.00 0.00 C ATOM 470 C ARG B 736 2.177 -4.420 -8.189 1.00 0.00 C ATOM 471 O ARG B 736 2.547 -3.657 -9.082 1.00 0.00 O ATOM 472 CB ARG B 736 2.648 -6.849 -8.501 1.00 0.00 C ATOM 473 CG ARG B 736 3.703 -7.934 -8.286 1.00 0.00 C ATOM 474 CD ARG B 736 3.305 -9.195 -9.055 1.00 0.00 C ATOM 475 NE ARG B 736 4.293 -10.249 -8.839 1.00 0.00 N ATOM 476 CZ ARG B 736 5.389 -10.332 -9.588 1.00 0.00 C ATOM 477 NH1 ARG B 736 5.599 -9.460 -10.536 1.00 0.00 N ATOM 478 NH2 ARG B 736 6.255 -11.285 -9.375 1.00 0.00 N ATOM 0 H ARG B 736 2.431 -6.673 -6.064 1.00 0.00 H new ATOM 0 HA ARG B 736 4.091 -5.348 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG B 736 1.676 -7.199 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG B 736 2.547 -6.631 -9.564 1.00 0.00 H new ATOM 0 HG2 ARG B 736 4.677 -7.581 -8.625 1.00 0.00 H new ATOM 0 HG3 ARG B 736 3.798 -8.158 -7.224 1.00 0.00 H new ATOM 0 HD2 ARG B 736 2.322 -9.535 -8.728 1.00 0.00 H new ATOM 0 HD3 ARG B 736 3.227 -8.972 -10.119 1.00 0.00 H new ATOM 0 HE ARG B 736 4.139 -10.935 -8.100 1.00 0.00 H new ATOM 0 HH11 ARG B 736 4.923 -8.715 -10.702 1.00 0.00 H new ATOM 0 HH12 ARG B 736 6.439 -9.524 -11.110 1.00 0.00 H new ATOM 0 HH21 ARG B 736 6.091 -11.967 -8.634 1.00 0.00 H new ATOM 0 HH22 ARG B 736 7.095 -11.348 -9.950 1.00 0.00 H new ATOM 492 N ALA B 737 1.007 -4.299 -7.571 1.00 0.00 N ATOM 493 CA ALA B 737 0.073 -3.231 -7.920 1.00 0.00 C ATOM 494 C ALA B 737 0.555 -1.887 -7.392 1.00 0.00 C ATOM 495 O ALA B 737 -0.182 -0.900 -7.410 1.00 0.00 O ATOM 496 CB ALA B 737 -1.314 -3.542 -7.359 1.00 0.00 C ATOM 0 H ALA B 737 0.683 -4.922 -6.831 1.00 0.00 H new ATOM 0 HA ALA B 737 0.018 -3.172 -9.007 1.00 0.00 H new ATOM 0 HB1 ALA B 737 -2.002 -2.740 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA B 737 -1.673 -4.482 -7.778 1.00 0.00 H new ATOM 0 HB3 ALA B 737 -1.257 -3.626 -6.274 1.00 0.00 H new ATOM 502 N LYS B 738 1.796 -1.856 -6.933 1.00 0.00 N ATOM 503 CA LYS B 738 2.377 -0.623 -6.409 1.00 0.00 C ATOM 504 C LYS B 738 2.845 0.276 -7.541 1.00 0.00 C ATOM 505 O LYS B 738 3.658 1.177 -7.337 1.00 0.00 O ATOM 506 CB LYS B 738 3.555 -0.933 -5.480 1.00 0.00 C ATOM 507 CG LYS B 738 3.042 -1.438 -4.131 1.00 0.00 C ATOM 508 CD LYS B 738 4.232 -1.729 -3.212 1.00 0.00 C ATOM 509 CE LYS B 738 3.725 -1.959 -1.786 1.00 0.00 C ATOM 510 NZ LYS B 738 4.852 -2.410 -0.923 1.00 0.00 N ATOM 0 H LYS B 738 2.420 -2.663 -6.911 1.00 0.00 H new ATOM 0 HA LYS B 738 1.603 -0.105 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS B 738 4.200 -1.684 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS B 738 4.160 -0.038 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS B 738 2.390 -0.693 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS B 738 2.447 -2.340 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS B 738 4.772 -2.608 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS B 738 4.933 -0.895 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS B 738 3.295 -1.039 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS B 738 2.932 -2.707 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 738 4.507 -2.566 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS B 738 5.243 -3.298 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 738 5.594 -1.682 -0.913 1.00 0.00 H new ATOM 524 N TRP B 739 2.323 0.025 -8.730 1.00 0.00 N ATOM 525 CA TRP B 739 2.686 0.815 -9.908 1.00 0.00 C ATOM 526 C TRP B 739 1.630 1.878 -10.193 1.00 0.00 C ATOM 527 O TRP B 739 1.618 2.488 -11.263 1.00 0.00 O ATOM 528 CB TRP B 739 2.831 -0.101 -11.123 1.00 0.00 C ATOM 529 CG TRP B 739 3.240 0.711 -12.308 1.00 0.00 C ATOM 530 CD1 TRP B 739 2.413 1.083 -13.306 1.00 0.00 C ATOM 531 CD2 TRP B 739 4.551 1.255 -12.637 1.00 0.00 C ATOM 532 NE1 TRP B 739 3.128 1.828 -14.229 1.00 0.00 N ATOM 533 CE2 TRP B 739 4.454 1.959 -13.861 1.00 0.00 C ATOM 534 CE3 TRP B 739 5.803 1.205 -11.998 1.00 0.00 C ATOM 535 CZ2 TRP B 739 5.560 2.594 -14.429 1.00 0.00 C ATOM 536 CZ3 TRP B 739 6.918 1.842 -12.567 1.00 0.00 C ATOM 537 CH2 TRP B 739 6.797 2.535 -13.781 1.00 0.00 C ATOM 0 H TRP B 739 1.647 -0.717 -8.911 1.00 0.00 H new ATOM 0 HA TRP B 739 3.636 1.311 -9.709 1.00 0.00 H new ATOM 0 HB2 TRP B 739 3.573 -0.874 -10.924 1.00 0.00 H new ATOM 0 HB3 TRP B 739 1.888 -0.609 -11.324 1.00 0.00 H new ATOM 0 HD1 TRP B 739 1.363 0.839 -13.374 1.00 0.00 H new ATOM 0 HE1 TRP B 739 2.726 2.230 -15.076 1.00 0.00 H new ATOM 0 HE3 TRP B 739 5.908 0.673 -11.064 1.00 0.00 H new ATOM 0 HZ2 TRP B 739 5.460 3.127 -15.363 1.00 0.00 H new ATOM 0 HZ3 TRP B 739 7.874 1.798 -12.067 1.00 0.00 H new ATOM 0 HH2 TRP B 739 7.658 3.022 -14.214 1.00 0.00 H new ATOM 548 N ASP B 740 0.750 2.103 -9.228 1.00 0.00 N ATOM 549 CA ASP B 740 -0.298 3.093 -9.381 1.00 0.00 C ATOM 550 C ASP B 740 0.301 4.441 -9.763 1.00 0.00 C ATOM 551 O ASP B 740 1.516 4.579 -9.907 1.00 0.00 O ATOM 552 CB ASP B 740 -1.085 3.225 -8.073 1.00 0.00 C ATOM 553 CG ASP B 740 -0.147 3.604 -6.934 1.00 0.00 C ATOM 554 OD1 ASP B 740 1.052 3.525 -7.134 1.00 0.00 O ATOM 555 OD2 ASP B 740 -0.642 3.963 -5.879 1.00 0.00 O ATOM 0 H ASP B 740 0.743 1.613 -8.334 1.00 0.00 H new ATOM 0 HA ASP B 740 -0.972 2.771 -10.174 1.00 0.00 H new ATOM 0 HB2 ASP B 740 -1.862 3.982 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP B 740 -1.586 2.284 -7.844 1.00 0.00 H new ATOM 560 N THR B 741 -0.563 5.427 -9.920 1.00 0.00 N ATOM 561 CA THR B 741 -0.122 6.774 -10.284 1.00 0.00 C ATOM 562 C THR B 741 0.994 7.238 -9.358 1.00 0.00 C ATOM 563 O THR B 741 1.700 8.193 -9.656 1.00 0.00 O ATOM 564 CB THR B 741 -1.302 7.753 -10.214 1.00 0.00 C ATOM 565 OG1 THR B 741 -1.021 8.882 -11.032 1.00 0.00 O ATOM 566 CG2 THR B 741 -1.538 8.207 -8.767 1.00 0.00 C ATOM 0 H THR B 741 -1.571 5.328 -9.803 1.00 0.00 H new ATOM 0 HA THR B 741 0.259 6.749 -11.305 1.00 0.00 H new ATOM 0 HB THR B 741 -2.202 7.253 -10.571 1.00 0.00 H new ATOM 0 HG1 THR B 741 -0.089 9.156 -10.903 1.00 0.00 H new ATOM 0 HG21 THR B 741 -2.378 8.901 -8.736 1.00 0.00 H new ATOM 0 HG22 THR B 741 -1.760 7.340 -8.145 1.00 0.00 H new ATOM 0 HG23 THR B 741 -0.643 8.703 -8.391 1.00 0.00 H new ATOM 574 N ALA B 742 1.132 6.557 -8.233 1.00 0.00 N ATOM 575 CA ALA B 742 2.155 6.916 -7.258 1.00 0.00 C ATOM 576 C ALA B 742 3.538 6.860 -7.888 1.00 0.00 C ATOM 577 O ALA B 742 4.488 7.459 -7.381 1.00 0.00 O ATOM 578 CB ALA B 742 2.102 5.969 -6.054 1.00 0.00 C ATOM 0 H ALA B 742 0.555 5.758 -7.971 1.00 0.00 H new ATOM 0 HA ALA B 742 1.959 7.934 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA B 742 2.872 6.250 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA B 742 1.122 6.036 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA B 742 2.274 4.946 -6.388 1.00 0.00 H new ATOM 584 N ASN B 743 3.650 6.131 -8.991 1.00 0.00 N ATOM 585 CA ASN B 743 4.924 5.994 -9.687 1.00 0.00 C ATOM 586 C ASN B 743 5.020 6.999 -10.831 1.00 0.00 C ATOM 587 O ASN B 743 6.012 7.032 -11.560 1.00 0.00 O ATOM 588 CB ASN B 743 5.048 4.577 -10.239 1.00 0.00 C ATOM 589 CG ASN B 743 4.787 3.566 -9.131 1.00 0.00 C ATOM 590 OD1 ASN B 743 3.689 3.522 -8.579 1.00 0.00 O ATOM 591 ND2 ASN B 743 5.725 2.741 -8.776 1.00 0.00 N ATOM 0 H ASN B 743 2.876 5.626 -9.423 1.00 0.00 H new ATOM 0 HA ASN B 743 5.733 6.189 -8.983 1.00 0.00 H new ATOM 0 HB2 ASN B 743 4.337 4.430 -11.052 1.00 0.00 H new ATOM 0 HB3 ASN B 743 6.044 4.425 -10.655 1.00 0.00 H new ATOM 0 HD21 ASN B 743 5.551 2.057 -8.040 1.00 0.00 H new ATOM 0 HD22 ASN B 743 6.636 2.777 -9.234 1.00 0.00 H new ATOM 598 N ASN B 744 3.982 7.816 -10.983 1.00 0.00 N ATOM 599 CA ASN B 744 3.955 8.814 -12.043 1.00 0.00 C ATOM 600 C ASN B 744 5.087 9.829 -11.846 1.00 0.00 C ATOM 601 O ASN B 744 5.455 10.145 -10.714 1.00 0.00 O ATOM 602 CB ASN B 744 2.602 9.534 -12.056 1.00 0.00 C ATOM 603 CG ASN B 744 2.483 10.423 -10.834 1.00 0.00 C ATOM 604 OD1 ASN B 744 2.993 10.080 -9.774 1.00 0.00 O ATOM 605 ND2 ASN B 744 1.848 11.553 -10.921 1.00 0.00 N ATOM 0 H ASN B 744 3.153 7.806 -10.388 1.00 0.00 H new ATOM 0 HA ASN B 744 4.097 8.311 -12.999 1.00 0.00 H new ATOM 0 HB2 ASN B 744 2.506 10.131 -12.963 1.00 0.00 H new ATOM 0 HB3 ASN B 744 1.792 8.805 -12.067 1.00 0.00 H new ATOM 0 HD21 ASN B 744 1.772 12.160 -10.104 1.00 0.00 H new ATOM 0 HD22 ASN B 744 1.425 11.834 -11.806 1.00 0.00 H new ATOM 612 N PRO B 745 5.658 10.320 -12.914 1.00 0.00 N ATOM 613 CA PRO B 745 6.785 11.299 -12.848 1.00 0.00 C ATOM 614 C PRO B 745 6.377 12.638 -12.255 1.00 0.00 C ATOM 615 O PRO B 745 7.190 13.338 -11.647 1.00 0.00 O ATOM 616 CB PRO B 745 7.227 11.440 -14.317 1.00 0.00 C ATOM 617 CG PRO B 745 6.031 11.053 -15.126 1.00 0.00 C ATOM 618 CD PRO B 745 5.291 10.005 -14.303 1.00 0.00 C ATOM 0 HA PRO B 745 7.582 10.955 -12.189 1.00 0.00 H new ATOM 0 HB2 PRO B 745 7.538 12.461 -14.538 1.00 0.00 H new ATOM 0 HB3 PRO B 745 8.077 10.793 -14.536 1.00 0.00 H new ATOM 0 HG2 PRO B 745 5.395 11.917 -15.321 1.00 0.00 H new ATOM 0 HG3 PRO B 745 6.328 10.651 -16.094 1.00 0.00 H new ATOM 0 HD2 PRO B 745 4.213 10.066 -14.455 1.00 0.00 H new ATOM 0 HD3 PRO B 745 5.595 8.995 -14.577 1.00 0.00 H new ATOM 626 N LEU B 746 5.122 12.983 -12.434 1.00 0.00 N ATOM 627 CA LEU B 746 4.608 14.238 -11.921 1.00 0.00 C ATOM 628 C LEU B 746 4.727 14.276 -10.407 1.00 0.00 C ATOM 629 O LEU B 746 5.017 15.319 -9.823 1.00 0.00 O ATOM 630 CB LEU B 746 3.144 14.406 -12.330 1.00 0.00 C ATOM 631 CG LEU B 746 3.051 14.616 -13.850 1.00 0.00 C ATOM 632 CD1 LEU B 746 1.582 14.554 -14.281 1.00 0.00 C ATOM 633 CD2 LEU B 746 3.656 15.981 -14.247 1.00 0.00 C ATOM 0 H LEU B 746 4.436 12.414 -12.931 1.00 0.00 H new ATOM 0 HA LEU B 746 5.195 15.055 -12.341 1.00 0.00 H new ATOM 0 HB2 LEU B 746 2.572 13.525 -12.039 1.00 0.00 H new ATOM 0 HB3 LEU B 746 2.706 15.257 -11.808 1.00 0.00 H new ATOM 0 HG LEU B 746 3.615 13.830 -14.352 1.00 0.00 H new ATOM 0 HD11 LEU B 746 1.512 14.703 -15.359 1.00 0.00 H new ATOM 0 HD12 LEU B 746 1.167 13.580 -14.021 1.00 0.00 H new ATOM 0 HD13 LEU B 746 1.020 15.335 -13.770 1.00 0.00 H new ATOM 0 HD21 LEU B 746 3.581 16.112 -15.327 1.00 0.00 H new ATOM 0 HD22 LEU B 746 3.110 16.780 -13.746 1.00 0.00 H new ATOM 0 HD23 LEU B 746 4.704 16.015 -13.949 1.00 0.00 H new ATOM 645 N TYR B 747 4.497 13.137 -9.776 1.00 0.00 N ATOM 646 CA TYR B 747 4.577 13.060 -8.323 1.00 0.00 C ATOM 647 C TYR B 747 6.009 13.250 -7.846 1.00 0.00 C ATOM 648 O TYR B 747 6.266 13.968 -6.880 1.00 0.00 O ATOM 649 CB TYR B 747 4.044 11.714 -7.838 1.00 0.00 C ATOM 650 CG TYR B 747 4.230 11.585 -6.341 1.00 0.00 C ATOM 651 CD1 TYR B 747 3.718 12.565 -5.477 1.00 0.00 C ATOM 652 CD2 TYR B 747 4.923 10.485 -5.815 1.00 0.00 C ATOM 653 CE1 TYR B 747 3.903 12.447 -4.099 1.00 0.00 C ATOM 654 CE2 TYR B 747 5.102 10.367 -4.433 1.00 0.00 C ATOM 655 CZ TYR B 747 4.593 11.348 -3.576 1.00 0.00 C ATOM 656 OH TYR B 747 4.775 11.238 -2.215 1.00 0.00 O ATOM 0 H TYR B 747 4.256 12.261 -10.239 1.00 0.00 H new ATOM 0 HA TYR B 747 3.966 13.861 -7.907 1.00 0.00 H new ATOM 0 HB2 TYR B 747 2.987 11.621 -8.090 1.00 0.00 H new ATOM 0 HB3 TYR B 747 4.565 10.904 -8.347 1.00 0.00 H new ATOM 0 HD1 TYR B 747 3.180 13.411 -5.879 1.00 0.00 H new ATOM 0 HD2 TYR B 747 5.318 9.729 -6.477 1.00 0.00 H new ATOM 0 HE1 TYR B 747 3.513 13.205 -3.436 1.00 0.00 H new ATOM 0 HE2 TYR B 747 5.633 9.519 -4.028 1.00 0.00 H new ATOM 0 HH TYR B 747 5.272 10.417 -2.017 1.00 0.00 H new ATOM 666 N LYS B 748 6.929 12.590 -8.525 1.00 0.00 N ATOM 667 CA LYS B 748 8.341 12.673 -8.163 1.00 0.00 C ATOM 668 C LYS B 748 8.839 14.105 -8.306 1.00 0.00 C ATOM 669 O LYS B 748 9.595 14.597 -7.470 1.00 0.00 O ATOM 670 CB LYS B 748 9.172 11.750 -9.056 1.00 0.00 C ATOM 671 CG LYS B 748 8.751 10.300 -8.819 1.00 0.00 C ATOM 672 CD LYS B 748 9.572 9.373 -9.719 1.00 0.00 C ATOM 673 CE LYS B 748 9.102 7.928 -9.533 1.00 0.00 C ATOM 674 NZ LYS B 748 9.324 7.510 -8.120 1.00 0.00 N ATOM 0 H LYS B 748 6.730 11.992 -9.327 1.00 0.00 H new ATOM 0 HA LYS B 748 8.450 12.359 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS B 748 9.030 12.015 -10.104 1.00 0.00 H new ATOM 0 HB3 LYS B 748 10.233 11.873 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS B 748 8.901 10.034 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS B 748 7.688 10.180 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS B 748 9.462 9.671 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS B 748 10.631 9.456 -9.474 1.00 0.00 H new ATOM 0 HE2 LYS B 748 8.045 7.843 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS B 748 9.646 7.268 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 9.266 6.474 -8.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 10.265 7.825 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 8.596 7.939 -7.513 1.00 0.00 H new ATOM 688 N GLU B 749 8.405 14.767 -9.368 1.00 0.00 N ATOM 689 CA GLU B 749 8.811 16.150 -9.610 1.00 0.00 C ATOM 690 C GLU B 749 8.395 17.046 -8.451 1.00 0.00 C ATOM 691 O GLU B 749 9.164 17.894 -7.999 1.00 0.00 O ATOM 692 CB GLU B 749 8.177 16.664 -10.907 1.00 0.00 C ATOM 693 CG GLU B 749 8.875 16.030 -12.111 1.00 0.00 C ATOM 694 CD GLU B 749 8.154 16.420 -13.397 1.00 0.00 C ATOM 695 OE1 GLU B 749 7.190 17.163 -13.311 1.00 0.00 O ATOM 696 OE2 GLU B 749 8.575 15.969 -14.449 1.00 0.00 O ATOM 0 H GLU B 749 7.778 14.377 -10.072 1.00 0.00 H new ATOM 0 HA GLU B 749 9.897 16.175 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU B 749 7.114 16.424 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU B 749 8.259 17.750 -10.957 1.00 0.00 H new ATOM 0 HG2 GLU B 749 9.914 16.357 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU B 749 8.886 14.945 -12.005 1.00 0.00 H new ATOM 703 N ALA B 750 7.177 16.848 -7.972 1.00 0.00 N ATOM 704 CA ALA B 750 6.666 17.646 -6.862 1.00 0.00 C ATOM 705 C ALA B 750 7.495 17.406 -5.606 1.00 0.00 C ATOM 706 O ALA B 750 7.800 18.340 -4.863 1.00 0.00 O ATOM 707 CB ALA B 750 5.204 17.287 -6.586 1.00 0.00 C ATOM 0 H ALA B 750 6.526 16.148 -8.329 1.00 0.00 H new ATOM 0 HA ALA B 750 6.735 18.699 -7.136 1.00 0.00 H new ATOM 0 HB1 ALA B 750 4.832 17.888 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA B 750 4.606 17.487 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA B 750 5.131 16.230 -6.330 1.00 0.00 H new ATOM 713 N THR B 751 7.860 16.150 -5.378 1.00 0.00 N ATOM 714 CA THR B 751 8.659 15.797 -4.211 1.00 0.00 C ATOM 715 C THR B 751 10.030 16.461 -4.278 1.00 0.00 C ATOM 716 O THR B 751 10.515 17.008 -3.288 1.00 0.00 O ATOM 717 CB THR B 751 8.824 14.279 -4.130 1.00 0.00 C ATOM 718 OG1 THR B 751 7.550 13.673 -3.963 1.00 0.00 O ATOM 719 CG2 THR B 751 9.721 13.921 -2.945 1.00 0.00 C ATOM 0 H THR B 751 7.618 15.364 -5.981 1.00 0.00 H new ATOM 0 HA THR B 751 8.142 16.152 -3.319 1.00 0.00 H new ATOM 0 HB THR B 751 9.282 13.915 -5.050 1.00 0.00 H new ATOM 0 HG1 THR B 751 7.058 13.708 -4.810 1.00 0.00 H new ATOM 0 HG21 THR B 751 9.837 12.839 -2.890 1.00 0.00 H new ATOM 0 HG22 THR B 751 10.699 14.384 -3.076 1.00 0.00 H new ATOM 0 HG23 THR B 751 9.268 14.285 -2.023 1.00 0.00 H new ATOM 727 N SER B 752 10.647 16.409 -5.452 1.00 0.00 N ATOM 728 CA SER B 752 11.963 17.008 -5.644 1.00 0.00 C ATOM 729 C SER B 752 11.910 18.508 -5.380 1.00 0.00 C ATOM 730 O SER B 752 12.871 19.099 -4.888 1.00 0.00 O ATOM 731 CB SER B 752 12.457 16.746 -7.067 1.00 0.00 C ATOM 732 OG SER B 752 12.811 15.375 -7.194 1.00 0.00 O ATOM 0 H SER B 752 10.260 15.961 -6.282 1.00 0.00 H new ATOM 0 HA SER B 752 12.657 16.553 -4.937 1.00 0.00 H new ATOM 0 HB2 SER B 752 11.680 17.001 -7.787 1.00 0.00 H new ATOM 0 HB3 SER B 752 13.317 17.378 -7.288 1.00 0.00 H new ATOM 0 HG SER B 752 13.127 15.202 -8.105 1.00 0.00 H new ATOM 738 N THR B 753 10.782 19.118 -5.721 1.00 0.00 N ATOM 739 CA THR B 753 10.607 20.554 -5.521 1.00 0.00 C ATOM 740 C THR B 753 10.656 20.906 -4.041 1.00 0.00 C ATOM 741 O THR B 753 11.313 21.866 -3.646 1.00 0.00 O ATOM 742 CB THR B 753 9.275 21.012 -6.117 1.00 0.00 C ATOM 743 OG1 THR B 753 9.155 20.513 -7.442 1.00 0.00 O ATOM 744 CG2 THR B 753 9.224 22.541 -6.140 1.00 0.00 C ATOM 0 H THR B 753 9.978 18.646 -6.135 1.00 0.00 H new ATOM 0 HA THR B 753 11.424 21.068 -6.027 1.00 0.00 H new ATOM 0 HB THR B 753 8.454 20.632 -5.509 1.00 0.00 H new ATOM 0 HG1 THR B 753 8.911 19.564 -7.413 1.00 0.00 H new ATOM 0 HG21 THR B 753 8.275 22.867 -6.565 1.00 0.00 H new ATOM 0 HG22 THR B 753 9.317 22.923 -5.124 1.00 0.00 H new ATOM 0 HG23 THR B 753 10.044 22.923 -6.748 1.00 0.00 H new ATOM 752 N PHE B 754 9.955 20.119 -3.232 1.00 0.00 N ATOM 753 CA PHE B 754 9.913 20.343 -1.787 1.00 0.00 C ATOM 754 C PHE B 754 11.317 20.272 -1.197 1.00 0.00 C ATOM 755 O PHE B 754 11.694 21.087 -0.357 1.00 0.00 O ATOM 756 CB PHE B 754 9.023 19.299 -1.116 1.00 0.00 C ATOM 757 CG PHE B 754 8.945 19.585 0.366 1.00 0.00 C ATOM 758 CD1 PHE B 754 8.079 20.577 0.843 1.00 0.00 C ATOM 759 CD2 PHE B 754 9.741 18.862 1.262 1.00 0.00 C ATOM 760 CE1 PHE B 754 8.008 20.843 2.217 1.00 0.00 C ATOM 761 CE2 PHE B 754 9.670 19.128 2.634 1.00 0.00 C ATOM 762 CZ PHE B 754 8.804 20.119 3.111 1.00 0.00 C ATOM 0 H PHE B 754 9.407 19.320 -3.550 1.00 0.00 H new ATOM 0 HA PHE B 754 9.501 21.336 -1.606 1.00 0.00 H new ATOM 0 HB2 PHE B 754 8.025 19.319 -1.555 1.00 0.00 H new ATOM 0 HB3 PHE B 754 9.425 18.300 -1.284 1.00 0.00 H new ATOM 0 HD1 PHE B 754 7.466 21.137 0.152 1.00 0.00 H new ATOM 0 HD2 PHE B 754 10.410 18.098 0.894 1.00 0.00 H new ATOM 0 HE1 PHE B 754 7.339 21.607 2.586 1.00 0.00 H new ATOM 0 HE2 PHE B 754 10.283 18.569 3.325 1.00 0.00 H new ATOM 0 HZ PHE B 754 8.750 20.325 4.170 1.00 0.00 H new ATOM 772 N THR B 755 12.086 19.286 -1.643 1.00 0.00 N ATOM 773 CA THR B 755 13.448 19.111 -1.153 1.00 0.00 C ATOM 774 C THR B 755 14.301 20.334 -1.477 1.00 0.00 C ATOM 775 O THR B 755 15.171 20.725 -0.703 1.00 0.00 O ATOM 776 CB THR B 755 14.080 17.866 -1.776 1.00 0.00 C ATOM 777 OG1 THR B 755 13.161 16.785 -1.700 1.00 0.00 O ATOM 778 CG2 THR B 755 15.358 17.504 -1.015 1.00 0.00 C ATOM 0 H THR B 755 11.793 18.600 -2.338 1.00 0.00 H new ATOM 0 HA THR B 755 13.405 18.990 -0.071 1.00 0.00 H new ATOM 0 HB THR B 755 14.325 18.065 -2.819 1.00 0.00 H new ATOM 0 HG1 THR B 755 13.562 15.986 -2.100 1.00 0.00 H new ATOM 0 HG21 THR B 755 15.807 16.616 -1.460 1.00 0.00 H new ATOM 0 HG22 THR B 755 16.062 18.334 -1.071 1.00 0.00 H new ATOM 0 HG23 THR B 755 15.116 17.303 0.029 1.00 0.00 H new ATOM 786 N ASN B 756 14.056 20.925 -2.639 1.00 0.00 N ATOM 787 CA ASN B 756 14.816 22.099 -3.059 1.00 0.00 C ATOM 788 C ASN B 756 14.545 23.295 -2.145 1.00 0.00 C ATOM 789 O ASN B 756 15.475 23.968 -1.696 1.00 0.00 O ATOM 790 CB ASN B 756 14.445 22.466 -4.496 1.00 0.00 C ATOM 791 CG ASN B 756 15.179 23.735 -4.918 1.00 0.00 C ATOM 792 OD1 ASN B 756 14.552 24.698 -5.360 1.00 0.00 O ATOM 793 ND2 ASN B 756 16.478 23.794 -4.803 1.00 0.00 N ATOM 0 H ASN B 756 13.345 20.617 -3.303 1.00 0.00 H new ATOM 0 HA ASN B 756 15.876 21.853 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN B 756 14.703 21.647 -5.167 1.00 0.00 H new ATOM 0 HB3 ASN B 756 13.368 22.616 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN B 756 16.977 24.640 -5.080 1.00 0.00 H new ATOM 0 HD22 ASN B 756 16.994 22.994 -4.436 1.00 0.00 H new ATOM 800 N ILE B 757 13.271 23.554 -1.877 1.00 0.00 N ATOM 801 CA ILE B 757 12.885 24.667 -1.023 1.00 0.00 C ATOM 802 C ILE B 757 13.264 24.408 0.430 1.00 0.00 C ATOM 803 O ILE B 757 13.750 25.299 1.123 1.00 0.00 O ATOM 804 CB ILE B 757 11.381 24.907 -1.143 1.00 0.00 C ATOM 805 CG1 ILE B 757 10.633 23.610 -0.896 1.00 0.00 C ATOM 806 CG2 ILE B 757 11.042 25.429 -2.538 1.00 0.00 C ATOM 807 CD1 ILE B 757 9.119 23.844 -1.015 1.00 0.00 C ATOM 0 H ILE B 757 12.489 23.008 -2.239 1.00 0.00 H new ATOM 0 HA ILE B 757 13.423 25.556 -1.352 1.00 0.00 H new ATOM 0 HB ILE B 757 11.083 25.647 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE B 757 10.950 22.855 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE B 757 10.873 23.226 0.095 1.00 0.00 H new ATOM 0 HG21 ILE B 757 9.968 25.597 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE B 757 11.569 26.367 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE B 757 11.348 24.696 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE B 757 8.591 22.907 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE B 757 8.806 24.584 -0.278 1.00 0.00 H new ATOM 0 HD13 ILE B 757 8.885 24.207 -2.016 1.00 0.00 H new ATOM 819 N THR B 758 13.032 23.188 0.881 1.00 0.00 N ATOM 820 CA THR B 758 13.340 22.818 2.254 1.00 0.00 C ATOM 821 C THR B 758 14.848 22.770 2.477 1.00 0.00 C ATOM 822 O THR B 758 15.331 22.932 3.596 1.00 0.00 O ATOM 823 CB THR B 758 12.705 21.453 2.581 1.00 0.00 C ATOM 824 OG1 THR B 758 12.325 21.429 3.948 1.00 0.00 O ATOM 825 CG2 THR B 758 13.696 20.311 2.308 1.00 0.00 C ATOM 0 H THR B 758 12.632 22.437 0.319 1.00 0.00 H new ATOM 0 HA THR B 758 12.924 23.574 2.921 1.00 0.00 H new ATOM 0 HB THR B 758 11.830 21.314 1.946 1.00 0.00 H new ATOM 0 HG1 THR B 758 11.919 20.562 4.160 1.00 0.00 H new ATOM 0 HG21 THR B 758 13.226 19.357 2.546 1.00 0.00 H new ATOM 0 HG22 THR B 758 13.983 20.322 1.257 1.00 0.00 H new ATOM 0 HG23 THR B 758 14.583 20.443 2.928 1.00 0.00 H new ATOM 833 N TYR B 759 15.575 22.529 1.398 1.00 0.00 N ATOM 834 CA TYR B 759 17.030 22.438 1.464 1.00 0.00 C ATOM 835 C TYR B 759 17.662 23.804 1.246 1.00 0.00 C ATOM 836 O TYR B 759 18.887 23.932 1.200 1.00 0.00 O ATOM 837 CB TYR B 759 17.548 21.460 0.408 1.00 0.00 C ATOM 838 CG TYR B 759 19.055 21.383 0.496 1.00 0.00 C ATOM 839 CD1 TYR B 759 19.661 20.652 1.525 1.00 0.00 C ATOM 840 CD2 TYR B 759 19.847 22.043 -0.452 1.00 0.00 C ATOM 841 CE1 TYR B 759 21.057 20.582 1.607 1.00 0.00 C ATOM 842 CE2 TYR B 759 21.243 21.974 -0.370 1.00 0.00 C ATOM 843 CZ TYR B 759 21.847 21.242 0.659 1.00 0.00 C ATOM 844 OH TYR B 759 23.224 21.174 0.741 1.00 0.00 O ATOM 0 H TYR B 759 15.185 22.393 0.466 1.00 0.00 H new ATOM 0 HA TYR B 759 17.304 22.076 2.455 1.00 0.00 H new ATOM 0 HB2 TYR B 759 17.112 20.473 0.564 1.00 0.00 H new ATOM 0 HB3 TYR B 759 17.246 21.788 -0.587 1.00 0.00 H new ATOM 0 HD1 TYR B 759 19.051 20.142 2.256 1.00 0.00 H new ATOM 0 HD2 TYR B 759 19.380 22.606 -1.247 1.00 0.00 H new ATOM 0 HE1 TYR B 759 21.524 20.019 2.402 1.00 0.00 H new ATOM 0 HE2 TYR B 759 21.853 22.485 -1.100 1.00 0.00 H new ATOM 0 HH TYR B 759 23.621 21.686 0.006 1.00 0.00 H new ATOM 854 N ARG B 760 16.819 24.819 1.114 1.00 0.00 N ATOM 855 CA ARG B 760 17.301 26.176 0.905 1.00 0.00 C ATOM 856 C ARG B 760 18.108 26.262 -0.385 1.00 0.00 C ATOM 857 O ARG B 760 19.124 25.583 -0.541 1.00 0.00 O ATOM 858 CB ARG B 760 18.178 26.608 2.083 1.00 0.00 C ATOM 859 CG ARG B 760 18.377 28.135 2.059 1.00 0.00 C ATOM 860 CD ARG B 760 17.235 28.823 2.814 1.00 0.00 C ATOM 861 NE ARG B 760 17.407 30.268 2.778 1.00 0.00 N ATOM 862 CZ ARG B 760 17.015 30.980 1.728 1.00 0.00 C ATOM 863 NH1 ARG B 760 16.467 30.384 0.703 1.00 0.00 N ATOM 864 NH2 ARG B 760 17.178 32.273 1.721 1.00 0.00 N ATOM 0 H ARG B 760 15.804 24.729 1.148 1.00 0.00 H new ATOM 0 HA ARG B 760 16.439 26.840 0.830 1.00 0.00 H new ATOM 0 HB2 ARG B 760 17.713 26.308 3.022 1.00 0.00 H new ATOM 0 HB3 ARG B 760 19.144 26.106 2.031 1.00 0.00 H new ATOM 0 HG2 ARG B 760 19.333 28.393 2.515 1.00 0.00 H new ATOM 0 HG3 ARG B 760 18.409 28.490 1.029 1.00 0.00 H new ATOM 0 HD2 ARG B 760 16.279 28.552 2.367 1.00 0.00 H new ATOM 0 HD3 ARG B 760 17.213 28.478 3.848 1.00 0.00 H new ATOM 0 HE ARG B 760 17.836 30.742 3.573 1.00 0.00 H new ATOM 0 HH11 ARG B 760 16.340 29.372 0.709 1.00 0.00 H new ATOM 0 HH12 ARG B 760 16.166 30.931 -0.104 1.00 0.00 H new ATOM 0 HH21 ARG B 760 17.606 32.737 2.522 1.00 0.00 H new ATOM 0 HH22 ARG B 760 16.877 32.821 0.915 1.00 0.00 H new ATOM 878 N GLY B 761 17.649 27.101 -1.305 1.00 0.00 N ATOM 879 CA GLY B 761 18.335 27.272 -2.580 1.00 0.00 C ATOM 880 C GLY B 761 19.734 27.844 -2.378 1.00 0.00 C ATOM 881 O GLY B 761 20.690 27.417 -3.026 1.00 0.00 O ATOM 0 H GLY B 761 16.810 27.670 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY B 761 18.402 26.312 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY B 761 17.756 27.936 -3.222 1.00 0.00 H new ATOM 885 N THR B 762 19.848 28.813 -1.473 1.00 0.00 N ATOM 886 CA THR B 762 21.138 29.439 -1.189 1.00 0.00 C ATOM 887 C THR B 762 21.891 28.652 -0.123 1.00 0.00 C ATOM 888 O THR B 762 21.257 27.862 0.559 1.00 0.00 O ATOM 889 CB THR B 762 20.926 30.877 -0.712 1.00 0.00 C ATOM 890 OG1 THR B 762 22.146 31.385 -0.192 1.00 0.00 O ATOM 891 CG2 THR B 762 19.853 30.905 0.377 1.00 0.00 C ATOM 892 OXT THR B 762 23.088 28.850 -0.002 1.00 0.00 O ATOM 0 H THR B 762 19.069 29.180 -0.927 1.00 0.00 H new ATOM 0 HA THR B 762 21.729 29.444 -2.105 1.00 0.00 H new ATOM 0 HB THR B 762 20.602 31.494 -1.550 1.00 0.00 H new ATOM 0 HG1 THR B 762 22.810 30.665 -0.152 1.00 0.00 H new ATOM 0 HG21 THR B 762 19.704 31.931 0.715 1.00 0.00 H new ATOM 0 HG22 THR B 762 18.917 30.516 -0.024 1.00 0.00 H new ATOM 0 HG23 THR B 762 20.172 30.289 1.218 1.00 0.00 H new TER 900 THR B 762