USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=16 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 Set 1.1: B 752 SER OG : rot -74:sc= 0.783 USER MOD Set 1.2: B 753 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 741 THR OG1 : rot -37:sc= 0.00353 USER MOD Set 2.2: B 744 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.6!) USER MOD Single : B 709 SER OG : rot 180:sc= -0.49 USER MOD Single : B 712 CYS SG : rot 180:sc= 0.00297 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 X(o=0,f=0) USER MOD Single : B 725 LYS NZ :NH3+ -164:sc= -0.0241 (180deg=-0.293) USER MOD Single : B 729 LYS NZ :NH3+ 150:sc= -0.314 (180deg=-1.36!) USER MOD Single : B 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 743 ASN :FLIP amide:sc= -4.69! C(o=-5.8!,f=-4.7!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0193) USER MOD Single : B 751 THR OG1 : rot 70:sc= 0.183 USER MOD Single : B 755 THR OG1 : rot 79:sc= 1.01 USER MOD Single : B 756 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 758 THR OG1 : rot 62:sc= 0.713 USER MOD Single : B 759 TYR OH : rot 180:sc= 0 USER MOD Single : B 762 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER B 709 -13.800 5.182 9.018 1.00 0.00 N ATOM 2 CA SER B 709 -12.748 4.144 8.824 1.00 0.00 C ATOM 3 C SER B 709 -11.544 4.478 9.697 1.00 0.00 C ATOM 4 O SER B 709 -10.520 4.952 9.208 1.00 0.00 O ATOM 5 CB SER B 709 -12.332 4.110 7.354 1.00 0.00 C ATOM 6 OG SER B 709 -11.447 3.017 7.145 1.00 0.00 O ATOM 0 HA SER B 709 -13.138 3.166 9.108 1.00 0.00 H new ATOM 0 HB2 SER B 709 -13.211 4.009 6.717 1.00 0.00 H new ATOM 0 HB3 SER B 709 -11.845 5.046 7.079 1.00 0.00 H new ATOM 0 HG SER B 709 -11.178 2.989 6.203 1.00 0.00 H new ATOM 12 N PRO B 710 -11.652 4.235 10.977 1.00 0.00 N ATOM 13 CA PRO B 710 -10.555 4.509 11.954 1.00 0.00 C ATOM 14 C PRO B 710 -9.293 3.706 11.638 1.00 0.00 C ATOM 15 O PRO B 710 -9.362 2.614 11.076 1.00 0.00 O ATOM 16 CB PRO B 710 -11.154 4.101 13.315 1.00 0.00 C ATOM 17 CG PRO B 710 -12.636 4.065 13.104 1.00 0.00 C ATOM 18 CD PRO B 710 -12.839 3.679 11.641 1.00 0.00 C ATOM 0 HA PRO B 710 -10.237 5.551 11.930 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -10.779 3.128 13.633 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -10.885 4.816 14.092 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -13.108 3.341 13.768 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -13.085 5.035 13.318 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -12.901 2.598 11.515 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -13.760 4.100 11.238 1.00 0.00 H new ATOM 26 N GLU B 711 -8.144 4.262 12.003 1.00 0.00 N ATOM 27 CA GLU B 711 -6.873 3.593 11.756 1.00 0.00 C ATOM 28 C GLU B 711 -6.796 2.288 12.543 1.00 0.00 C ATOM 29 O GLU B 711 -6.188 1.317 12.092 1.00 0.00 O ATOM 30 CB GLU B 711 -5.714 4.505 12.162 1.00 0.00 C ATOM 31 CG GLU B 711 -4.386 3.840 11.789 1.00 0.00 C ATOM 32 CD GLU B 711 -3.225 4.767 12.130 1.00 0.00 C ATOM 33 OE1 GLU B 711 -3.460 5.752 12.811 1.00 0.00 O ATOM 34 OE2 GLU B 711 -2.119 4.478 11.705 1.00 0.00 O ATOM 0 H GLU B 711 -8.066 5.167 12.467 1.00 0.00 H new ATOM 0 HA GLU B 711 -6.801 3.369 10.692 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -5.803 5.469 11.661 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -5.748 4.698 13.234 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -4.279 2.897 12.325 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -4.374 3.605 10.725 1.00 0.00 H new ATOM 41 N CYS B 712 -7.410 2.272 13.723 1.00 0.00 N ATOM 42 CA CYS B 712 -7.393 1.078 14.562 1.00 0.00 C ATOM 43 C CYS B 712 -8.057 -0.094 13.843 1.00 0.00 C ATOM 44 O CYS B 712 -7.502 -1.190 13.782 1.00 0.00 O ATOM 45 CB CYS B 712 -8.130 1.356 15.873 1.00 0.00 C ATOM 46 SG CYS B 712 -7.270 2.664 16.782 1.00 0.00 S ATOM 0 H CYS B 712 -7.920 3.063 14.116 1.00 0.00 H new ATOM 0 HA CYS B 712 -6.356 0.818 14.773 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -9.158 1.656 15.668 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -8.176 0.449 16.476 1.00 0.00 H new ATOM 0 HG CYS B 712 -7.897 2.903 17.896 1.00 0.00 H new ATOM 52 N LEU B 713 -9.240 0.148 13.292 1.00 0.00 N ATOM 53 CA LEU B 713 -9.962 -0.893 12.569 1.00 0.00 C ATOM 54 C LEU B 713 -9.186 -1.324 11.328 1.00 0.00 C ATOM 55 O LEU B 713 -9.105 -2.511 11.015 1.00 0.00 O ATOM 56 CB LEU B 713 -11.358 -0.381 12.168 1.00 0.00 C ATOM 57 CG LEU B 713 -12.347 -0.608 13.316 1.00 0.00 C ATOM 58 CD1 LEU B 713 -11.821 0.052 14.591 1.00 0.00 C ATOM 59 CD2 LEU B 713 -13.708 -0.008 12.944 1.00 0.00 C ATOM 0 H LEU B 713 -9.717 1.049 13.331 1.00 0.00 H new ATOM 0 HA LEU B 713 -10.072 -1.758 13.224 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -11.309 0.680 11.923 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -11.702 -0.899 11.273 1.00 0.00 H new ATOM 0 HG LEU B 713 -12.459 -1.678 13.490 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -12.528 -0.112 15.404 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -10.857 -0.383 14.855 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -11.702 1.123 14.424 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -14.412 -0.169 13.760 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -13.598 1.062 12.766 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -14.083 -0.489 12.041 1.00 0.00 H new ATOM 71 N ILE B 714 -8.621 -0.351 10.627 1.00 0.00 N ATOM 72 CA ILE B 714 -7.862 -0.641 9.421 1.00 0.00 C ATOM 73 C ILE B 714 -6.636 -1.483 9.754 1.00 0.00 C ATOM 74 O ILE B 714 -6.317 -2.441 9.049 1.00 0.00 O ATOM 75 CB ILE B 714 -7.425 0.665 8.749 1.00 0.00 C ATOM 76 CG1 ILE B 714 -8.660 1.398 8.213 1.00 0.00 C ATOM 77 CG2 ILE B 714 -6.476 0.354 7.587 1.00 0.00 C ATOM 78 CD1 ILE B 714 -8.268 2.812 7.774 1.00 0.00 C ATOM 0 H ILE B 714 -8.673 0.638 10.871 1.00 0.00 H new ATOM 0 HA ILE B 714 -8.499 -1.201 8.737 1.00 0.00 H new ATOM 0 HB ILE B 714 -6.912 1.293 9.477 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -9.084 0.850 7.372 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -9.430 1.446 8.983 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -6.167 1.284 7.111 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -5.598 -0.170 7.965 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -6.987 -0.274 6.858 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -9.147 3.332 7.393 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -7.864 3.359 8.626 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -7.513 2.753 6.990 1.00 0.00 H new ATOM 90 N TRP B 715 -5.949 -1.116 10.829 1.00 0.00 N ATOM 91 CA TRP B 715 -4.755 -1.842 11.240 1.00 0.00 C ATOM 92 C TRP B 715 -5.084 -3.306 11.514 1.00 0.00 C ATOM 93 O TRP B 715 -4.351 -4.203 11.102 1.00 0.00 O ATOM 94 CB TRP B 715 -4.166 -1.204 12.504 1.00 0.00 C ATOM 95 CG TRP B 715 -3.003 -2.016 12.979 1.00 0.00 C ATOM 96 CD1 TRP B 715 -2.989 -2.769 14.103 1.00 0.00 C ATOM 97 CD2 TRP B 715 -1.693 -2.173 12.364 1.00 0.00 C ATOM 98 NE1 TRP B 715 -1.751 -3.376 14.218 1.00 0.00 N ATOM 99 CE2 TRP B 715 -0.918 -3.039 13.169 1.00 0.00 C ATOM 100 CE3 TRP B 715 -1.108 -1.651 11.196 1.00 0.00 C ATOM 101 CZ2 TRP B 715 0.393 -3.377 12.829 1.00 0.00 C ATOM 102 CZ3 TRP B 715 0.211 -1.989 10.851 1.00 0.00 C ATOM 103 CH2 TRP B 715 0.960 -2.850 11.666 1.00 0.00 C ATOM 0 H TRP B 715 -6.196 -0.327 11.427 1.00 0.00 H new ATOM 0 HA TRP B 715 -4.026 -1.791 10.432 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -3.848 -0.183 12.294 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -4.926 -1.148 13.283 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -3.810 -2.878 14.797 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -1.486 -3.996 14.983 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -1.676 -0.987 10.561 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 0.965 -4.041 13.460 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 0.651 -1.583 9.952 1.00 0.00 H new ATOM 0 HH2 TRP B 715 1.974 -3.105 11.395 1.00 0.00 H new ATOM 114 N LYS B 716 -6.192 -3.541 12.207 1.00 0.00 N ATOM 115 CA LYS B 716 -6.603 -4.901 12.533 1.00 0.00 C ATOM 116 C LYS B 716 -6.857 -5.704 11.262 1.00 0.00 C ATOM 117 O LYS B 716 -6.488 -6.875 11.172 1.00 0.00 O ATOM 118 CB LYS B 716 -7.874 -4.868 13.379 1.00 0.00 C ATOM 119 CG LYS B 716 -7.554 -4.293 14.761 1.00 0.00 C ATOM 120 CD LYS B 716 -8.851 -4.121 15.563 1.00 0.00 C ATOM 121 CE LYS B 716 -9.363 -5.485 16.041 1.00 0.00 C ATOM 122 NZ LYS B 716 -10.407 -5.284 17.082 1.00 0.00 N ATOM 0 H LYS B 716 -6.818 -2.813 12.552 1.00 0.00 H new ATOM 0 HA LYS B 716 -5.801 -5.379 13.096 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -8.634 -4.261 12.888 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -8.284 -5.873 13.478 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -6.872 -4.957 15.292 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -7.049 -3.333 14.658 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -8.674 -3.470 16.419 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -9.607 -3.636 14.946 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -9.774 -6.046 15.202 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -8.539 -6.074 16.445 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -10.755 -6.208 17.407 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -10.000 -4.765 17.886 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -11.196 -4.738 16.681 1.00 0.00 H new ATOM 136 N LEU B 717 -7.482 -5.066 10.283 1.00 0.00 N ATOM 137 CA LEU B 717 -7.778 -5.726 9.018 1.00 0.00 C ATOM 138 C LEU B 717 -6.490 -6.138 8.325 1.00 0.00 C ATOM 139 O LEU B 717 -6.420 -7.196 7.699 1.00 0.00 O ATOM 140 CB LEU B 717 -8.579 -4.790 8.110 1.00 0.00 C ATOM 141 CG LEU B 717 -9.994 -4.607 8.680 1.00 0.00 C ATOM 142 CD1 LEU B 717 -10.711 -3.491 7.910 1.00 0.00 C ATOM 143 CD2 LEU B 717 -10.800 -5.922 8.567 1.00 0.00 C ATOM 0 H LEU B 717 -7.793 -4.096 10.339 1.00 0.00 H new ATOM 0 HA LEU B 717 -8.371 -6.618 9.222 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -8.079 -3.825 8.034 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -8.632 -5.202 7.102 1.00 0.00 H new ATOM 0 HG LEU B 717 -9.919 -4.338 9.734 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -11.715 -3.359 8.312 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -10.153 -2.560 8.014 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -10.775 -3.760 6.856 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -11.799 -5.773 8.976 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -10.876 -6.213 7.519 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -10.293 -6.709 9.126 1.00 0.00 H new ATOM 155 N LEU B 718 -5.473 -5.296 8.433 1.00 0.00 N ATOM 156 CA LEU B 718 -4.194 -5.586 7.805 1.00 0.00 C ATOM 157 C LEU B 718 -3.613 -6.881 8.360 1.00 0.00 C ATOM 158 O LEU B 718 -3.068 -7.696 7.614 1.00 0.00 O ATOM 159 CB LEU B 718 -3.213 -4.434 8.054 1.00 0.00 C ATOM 160 CG LEU B 718 -1.855 -4.747 7.403 1.00 0.00 C ATOM 161 CD1 LEU B 718 -2.027 -4.927 5.885 1.00 0.00 C ATOM 162 CD2 LEU B 718 -0.886 -3.592 7.681 1.00 0.00 C ATOM 0 H LEU B 718 -5.508 -4.414 8.945 1.00 0.00 H new ATOM 0 HA LEU B 718 -4.352 -5.699 6.732 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -3.616 -3.508 7.645 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -3.085 -4.280 9.125 1.00 0.00 H new ATOM 0 HG LEU B 718 -1.456 -5.670 7.823 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -1.060 -5.148 5.433 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -2.715 -5.750 5.692 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -2.428 -4.010 5.453 1.00 0.00 H new ATOM 0 HD21 LEU B 718 0.079 -3.808 7.222 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -1.289 -2.670 7.262 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -0.758 -3.476 8.757 1.00 0.00 H new ATOM 174 N ILE B 719 -3.724 -7.064 9.669 1.00 0.00 N ATOM 175 CA ILE B 719 -3.196 -8.263 10.308 1.00 0.00 C ATOM 176 C ILE B 719 -3.878 -9.507 9.752 1.00 0.00 C ATOM 177 O ILE B 719 -3.220 -10.492 9.418 1.00 0.00 O ATOM 178 CB ILE B 719 -3.413 -8.189 11.820 1.00 0.00 C ATOM 179 CG1 ILE B 719 -2.791 -6.902 12.363 1.00 0.00 C ATOM 180 CG2 ILE B 719 -2.761 -9.395 12.496 1.00 0.00 C ATOM 181 CD1 ILE B 719 -3.166 -6.732 13.836 1.00 0.00 C ATOM 0 H ILE B 719 -4.171 -6.404 10.305 1.00 0.00 H new ATOM 0 HA ILE B 719 -2.128 -8.324 10.100 1.00 0.00 H new ATOM 0 HB ILE B 719 -4.483 -8.194 12.030 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -1.707 -6.937 12.255 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -3.142 -6.046 11.787 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -2.918 -9.338 13.573 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -3.207 -10.312 12.112 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -1.692 -9.396 12.285 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -2.722 -5.814 14.221 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -4.250 -6.678 13.931 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -2.793 -7.583 14.407 1.00 0.00 H new ATOM 193 N THR B 720 -5.202 -9.456 9.658 1.00 0.00 N ATOM 194 CA THR B 720 -5.963 -10.587 9.140 1.00 0.00 C ATOM 195 C THR B 720 -5.579 -10.876 7.694 1.00 0.00 C ATOM 196 O THR B 720 -5.376 -12.029 7.314 1.00 0.00 O ATOM 197 CB THR B 720 -7.462 -10.288 9.222 1.00 0.00 C ATOM 198 OG1 THR B 720 -7.832 -10.104 10.581 1.00 0.00 O ATOM 199 CG2 THR B 720 -8.252 -11.457 8.629 1.00 0.00 C ATOM 0 H THR B 720 -5.767 -8.652 9.931 1.00 0.00 H new ATOM 0 HA THR B 720 -5.733 -11.463 9.746 1.00 0.00 H new ATOM 0 HB THR B 720 -7.683 -9.382 8.659 1.00 0.00 H new ATOM 0 HG1 THR B 720 -8.791 -9.911 10.636 1.00 0.00 H new ATOM 0 HG21 THR B 720 -9.319 -11.242 8.688 1.00 0.00 H new ATOM 0 HG22 THR B 720 -7.967 -11.597 7.586 1.00 0.00 H new ATOM 0 HG23 THR B 720 -8.033 -12.366 9.190 1.00 0.00 H new ATOM 207 N ILE B 721 -5.483 -9.824 6.889 1.00 0.00 N ATOM 208 CA ILE B 721 -5.126 -9.979 5.483 1.00 0.00 C ATOM 209 C ILE B 721 -3.722 -10.565 5.351 1.00 0.00 C ATOM 210 O ILE B 721 -3.484 -11.455 4.535 1.00 0.00 O ATOM 211 CB ILE B 721 -5.186 -8.621 4.778 1.00 0.00 C ATOM 212 CG1 ILE B 721 -6.639 -8.141 4.716 1.00 0.00 C ATOM 213 CG2 ILE B 721 -4.634 -8.753 3.354 1.00 0.00 C ATOM 214 CD1 ILE B 721 -6.674 -6.672 4.291 1.00 0.00 C ATOM 0 H ILE B 721 -5.646 -8.861 7.183 1.00 0.00 H new ATOM 0 HA ILE B 721 -5.837 -10.661 5.017 1.00 0.00 H new ATOM 0 HB ILE B 721 -4.586 -7.901 5.334 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -7.204 -8.749 4.009 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -7.114 -8.260 5.690 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -4.678 -7.785 2.855 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -3.599 -9.093 3.395 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -5.231 -9.475 2.798 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -7.708 -6.331 4.247 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -6.124 -6.071 5.015 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -6.215 -6.567 3.308 1.00 0.00 H new ATOM 226 N HIS B 722 -2.799 -10.057 6.158 1.00 0.00 N ATOM 227 CA HIS B 722 -1.422 -10.533 6.124 1.00 0.00 C ATOM 228 C HIS B 722 -1.363 -12.021 6.459 1.00 0.00 C ATOM 229 O HIS B 722 -0.557 -12.762 5.898 1.00 0.00 O ATOM 230 CB HIS B 722 -0.568 -9.748 7.120 1.00 0.00 C ATOM 231 CG HIS B 722 0.863 -10.195 7.015 1.00 0.00 C ATOM 232 ND1 HIS B 722 1.680 -9.821 5.959 1.00 0.00 N ATOM 233 CD2 HIS B 722 1.639 -10.987 7.825 1.00 0.00 C ATOM 234 CE1 HIS B 722 2.887 -10.381 6.162 1.00 0.00 C ATOM 235 NE2 HIS B 722 2.916 -11.103 7.285 1.00 0.00 N ATOM 0 H HIS B 722 -2.977 -9.320 6.840 1.00 0.00 H new ATOM 0 HA HIS B 722 -1.031 -10.381 5.118 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -0.642 -8.680 6.916 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -0.936 -9.905 8.134 1.00 0.00 H new ATOM 0 HD2 HIS B 722 1.308 -11.450 8.743 1.00 0.00 H new ATOM 0 HE1 HIS B 722 3.730 -10.261 5.497 1.00 0.00 H new ATOM 0 HE2 HIS B 722 3.704 -11.627 7.665 1.00 0.00 H new ATOM 244 N ASP B 723 -2.219 -12.448 7.383 1.00 0.00 N ATOM 245 CA ASP B 723 -2.251 -13.847 7.790 1.00 0.00 C ATOM 246 C ASP B 723 -2.818 -14.717 6.675 1.00 0.00 C ATOM 247 O ASP B 723 -2.623 -15.934 6.664 1.00 0.00 O ATOM 248 CB ASP B 723 -3.109 -14.004 9.046 1.00 0.00 C ATOM 249 CG ASP B 723 -2.398 -13.386 10.244 1.00 0.00 C ATOM 250 OD1 ASP B 723 -1.238 -13.036 10.102 1.00 0.00 O ATOM 251 OD2 ASP B 723 -3.023 -13.271 11.285 1.00 0.00 O ATOM 0 H ASP B 723 -2.894 -11.850 7.860 1.00 0.00 H new ATOM 0 HA ASP B 723 -1.231 -14.167 8.002 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -4.076 -13.523 8.898 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -3.304 -15.060 9.233 1.00 0.00 H new ATOM 256 N ARG B 724 -3.520 -14.089 5.734 1.00 0.00 N ATOM 257 CA ARG B 724 -4.109 -14.815 4.611 1.00 0.00 C ATOM 258 C ARG B 724 -3.147 -14.844 3.428 1.00 0.00 C ATOM 259 O ARG B 724 -2.971 -13.844 2.732 1.00 0.00 O ATOM 260 CB ARG B 724 -5.417 -14.148 4.186 1.00 0.00 C ATOM 261 CG ARG B 724 -6.476 -14.370 5.266 1.00 0.00 C ATOM 262 CD ARG B 724 -7.779 -13.685 4.851 1.00 0.00 C ATOM 263 NE ARG B 724 -8.799 -13.875 5.879 1.00 0.00 N ATOM 264 CZ ARG B 724 -9.565 -14.962 5.900 1.00 0.00 C ATOM 265 NH1 ARG B 724 -9.410 -15.886 4.991 1.00 0.00 N ATOM 266 NH2 ARG B 724 -10.469 -15.106 6.829 1.00 0.00 N ATOM 0 H ARG B 724 -3.694 -13.084 5.726 1.00 0.00 H new ATOM 0 HA ARG B 724 -4.308 -15.838 4.930 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -5.260 -13.081 4.030 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -5.757 -14.562 3.237 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -6.644 -15.437 5.412 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -6.129 -13.969 6.218 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -7.605 -12.621 4.694 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -8.127 -14.094 3.903 1.00 0.00 H new ATOM 0 HE ARG B 724 -8.926 -13.160 6.595 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -8.702 -15.774 4.265 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -9.997 -16.720 5.006 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -10.589 -14.385 7.540 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -11.056 -15.940 6.844 1.00 0.00 H new ATOM 280 N LYS B 725 -2.530 -16.000 3.208 1.00 0.00 N ATOM 281 CA LYS B 725 -1.590 -16.159 2.104 1.00 0.00 C ATOM 282 C LYS B 725 -2.302 -16.003 0.766 1.00 0.00 C ATOM 283 O LYS B 725 -1.746 -15.455 -0.185 1.00 0.00 O ATOM 284 CB LYS B 725 -0.920 -17.533 2.176 1.00 0.00 C ATOM 285 CG LYS B 725 -0.014 -17.598 3.407 1.00 0.00 C ATOM 286 CD LYS B 725 0.626 -18.985 3.497 1.00 0.00 C ATOM 287 CE LYS B 725 1.465 -19.079 4.773 1.00 0.00 C ATOM 288 NZ LYS B 725 2.626 -18.150 4.675 1.00 0.00 N ATOM 0 H LYS B 725 -2.663 -16.837 3.776 1.00 0.00 H new ATOM 0 HA LYS B 725 -0.829 -15.383 2.188 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -1.677 -18.316 2.227 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -0.337 -17.712 1.273 1.00 0.00 H new ATOM 0 HG2 LYS B 725 0.759 -16.832 3.343 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -0.592 -17.393 4.308 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -0.147 -19.754 3.500 1.00 0.00 H new ATOM 0 HD3 LYS B 725 1.252 -19.165 2.623 1.00 0.00 H new ATOM 0 HE2 LYS B 725 0.856 -18.826 5.641 1.00 0.00 H new ATOM 0 HE3 LYS B 725 1.815 -20.101 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 3.332 -18.400 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 3.054 -18.227 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 2.303 -17.174 4.830 1.00 0.00 H new ATOM 302 N GLU B 726 -3.534 -16.494 0.697 1.00 0.00 N ATOM 303 CA GLU B 726 -4.311 -16.409 -0.533 1.00 0.00 C ATOM 304 C GLU B 726 -4.478 -14.954 -0.961 1.00 0.00 C ATOM 305 O GLU B 726 -4.389 -14.631 -2.144 1.00 0.00 O ATOM 306 CB GLU B 726 -5.690 -17.041 -0.320 1.00 0.00 C ATOM 307 CG GLU B 726 -5.531 -18.532 -0.013 1.00 0.00 C ATOM 308 CD GLU B 726 -5.037 -19.272 -1.252 1.00 0.00 C ATOM 309 OE1 GLU B 726 -5.016 -18.669 -2.312 1.00 0.00 O ATOM 310 OE2 GLU B 726 -4.694 -20.437 -1.124 1.00 0.00 O ATOM 0 H GLU B 726 -4.013 -16.952 1.472 1.00 0.00 H new ATOM 0 HA GLU B 726 -3.779 -16.948 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -6.206 -16.544 0.501 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -6.304 -16.906 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -4.826 -18.669 0.807 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -6.484 -18.948 0.313 1.00 0.00 H new ATOM 317 N PHE B 727 -4.719 -14.083 0.010 1.00 0.00 N ATOM 318 CA PHE B 727 -4.897 -12.666 -0.281 1.00 0.00 C ATOM 319 C PHE B 727 -3.619 -12.084 -0.886 1.00 0.00 C ATOM 320 O PHE B 727 -3.668 -11.321 -1.851 1.00 0.00 O ATOM 321 CB PHE B 727 -5.254 -11.905 1.000 1.00 0.00 C ATOM 322 CG PHE B 727 -5.875 -10.574 0.640 1.00 0.00 C ATOM 323 CD1 PHE B 727 -5.064 -9.492 0.284 1.00 0.00 C ATOM 324 CD2 PHE B 727 -7.268 -10.427 0.666 1.00 0.00 C ATOM 325 CE1 PHE B 727 -5.645 -8.262 -0.048 1.00 0.00 C ATOM 326 CE2 PHE B 727 -7.848 -9.199 0.335 1.00 0.00 C ATOM 327 CZ PHE B 727 -7.037 -8.116 -0.022 1.00 0.00 C ATOM 0 H PHE B 727 -4.795 -14.329 0.997 1.00 0.00 H new ATOM 0 HA PHE B 727 -5.710 -12.560 -0.999 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -5.948 -12.491 1.602 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -4.360 -11.750 1.604 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -3.990 -9.605 0.265 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -7.894 -11.263 0.942 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -5.019 -7.426 -0.324 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -8.922 -9.086 0.355 1.00 0.00 H new ATOM 0 HZ PHE B 727 -7.485 -7.167 -0.278 1.00 0.00 H new ATOM 337 N ALA B 728 -2.476 -12.446 -0.308 1.00 0.00 N ATOM 338 CA ALA B 728 -1.193 -11.951 -0.790 1.00 0.00 C ATOM 339 C ALA B 728 -1.009 -12.295 -2.262 1.00 0.00 C ATOM 340 O ALA B 728 -0.479 -11.496 -3.033 1.00 0.00 O ATOM 341 CB ALA B 728 -0.056 -12.571 0.026 1.00 0.00 C ATOM 0 H ALA B 728 -2.414 -13.077 0.491 1.00 0.00 H new ATOM 0 HA ALA B 728 -1.174 -10.867 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA B 728 0.900 -12.197 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -0.173 -12.303 1.076 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -0.084 -13.656 -0.077 1.00 0.00 H new ATOM 347 N LYS B 729 -1.455 -13.484 -2.651 1.00 0.00 N ATOM 348 CA LYS B 729 -1.334 -13.914 -4.038 1.00 0.00 C ATOM 349 C LYS B 729 -2.109 -12.975 -4.958 1.00 0.00 C ATOM 350 O LYS B 729 -1.623 -12.594 -6.023 1.00 0.00 O ATOM 351 CB LYS B 729 -1.874 -15.334 -4.188 1.00 0.00 C ATOM 352 CG LYS B 729 -0.948 -16.314 -3.458 1.00 0.00 C ATOM 353 CD LYS B 729 -1.547 -17.730 -3.491 1.00 0.00 C ATOM 354 CE LYS B 729 -1.227 -18.406 -4.828 1.00 0.00 C ATOM 355 NZ LYS B 729 0.250 -18.449 -5.017 1.00 0.00 N ATOM 0 H LYS B 729 -1.900 -14.162 -2.032 1.00 0.00 H new ATOM 0 HA LYS B 729 -0.281 -13.892 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -2.882 -15.396 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -1.942 -15.599 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS B 729 0.036 -16.316 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -0.808 -15.994 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -1.145 -18.323 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -2.627 -17.680 -3.349 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -1.637 -19.416 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -1.694 -17.858 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 0.503 -19.283 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 0.562 -17.588 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 0.717 -18.506 -4.090 1.00 0.00 H new ATOM 369 N PHE B 730 -3.314 -12.602 -4.536 1.00 0.00 N ATOM 370 CA PHE B 730 -4.145 -11.699 -5.319 1.00 0.00 C ATOM 371 C PHE B 730 -3.457 -10.349 -5.477 1.00 0.00 C ATOM 372 O PHE B 730 -3.472 -9.755 -6.555 1.00 0.00 O ATOM 373 CB PHE B 730 -5.503 -11.516 -4.641 1.00 0.00 C ATOM 374 CG PHE B 730 -6.330 -10.536 -5.436 1.00 0.00 C ATOM 375 CD1 PHE B 730 -6.889 -10.922 -6.659 1.00 0.00 C ATOM 376 CD2 PHE B 730 -6.535 -9.239 -4.951 1.00 0.00 C ATOM 377 CE1 PHE B 730 -7.655 -10.012 -7.396 1.00 0.00 C ATOM 378 CE2 PHE B 730 -7.299 -8.330 -5.688 1.00 0.00 C ATOM 379 CZ PHE B 730 -7.860 -8.715 -6.911 1.00 0.00 C ATOM 0 H PHE B 730 -3.734 -12.911 -3.659 1.00 0.00 H new ATOM 0 HA PHE B 730 -4.296 -12.133 -6.307 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -6.020 -12.473 -4.572 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -5.368 -11.153 -3.622 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -6.729 -11.922 -7.034 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -6.103 -8.941 -4.007 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -8.088 -10.310 -8.339 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -7.457 -7.329 -5.313 1.00 0.00 H new ATOM 0 HZ PHE B 730 -8.450 -8.012 -7.480 1.00 0.00 H new ATOM 389 N GLU B 731 -2.858 -9.867 -4.392 1.00 0.00 N ATOM 390 CA GLU B 731 -2.170 -8.583 -4.417 1.00 0.00 C ATOM 391 C GLU B 731 -1.085 -8.576 -5.489 1.00 0.00 C ATOM 392 O GLU B 731 -0.934 -7.598 -6.224 1.00 0.00 O ATOM 393 CB GLU B 731 -1.540 -8.303 -3.050 1.00 0.00 C ATOM 394 CG GLU B 731 -2.639 -8.035 -2.020 1.00 0.00 C ATOM 395 CD GLU B 731 -2.019 -7.843 -0.639 1.00 0.00 C ATOM 396 OE1 GLU B 731 -0.809 -7.963 -0.533 1.00 0.00 O ATOM 397 OE2 GLU B 731 -2.762 -7.583 0.292 1.00 0.00 O ATOM 0 H GLU B 731 -2.836 -10.344 -3.490 1.00 0.00 H new ATOM 0 HA GLU B 731 -2.898 -7.806 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -0.935 -9.154 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -0.873 -7.444 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -3.205 -7.147 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -3.342 -8.868 -2.000 1.00 0.00 H new ATOM 404 N GLU B 732 -0.332 -9.669 -5.578 1.00 0.00 N ATOM 405 CA GLU B 732 0.731 -9.769 -6.567 1.00 0.00 C ATOM 406 C GLU B 732 0.159 -9.666 -7.977 1.00 0.00 C ATOM 407 O GLU B 732 0.723 -8.990 -8.838 1.00 0.00 O ATOM 408 CB GLU B 732 1.459 -11.103 -6.409 1.00 0.00 C ATOM 409 CG GLU B 732 2.175 -11.134 -5.059 1.00 0.00 C ATOM 410 CD GLU B 732 2.889 -12.471 -4.878 1.00 0.00 C ATOM 411 OE1 GLU B 732 2.821 -13.284 -5.784 1.00 0.00 O ATOM 412 OE2 GLU B 732 3.494 -12.660 -3.836 1.00 0.00 O ATOM 0 H GLU B 732 -0.438 -10.490 -4.982 1.00 0.00 H new ATOM 0 HA GLU B 732 1.431 -8.949 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU B 732 0.749 -11.927 -6.475 1.00 0.00 H new ATOM 0 HB3 GLU B 732 2.178 -11.235 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU B 732 2.894 -10.317 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU B 732 1.456 -10.984 -4.253 1.00 0.00 H new ATOM 419 N GLU B 733 -0.965 -10.337 -8.206 1.00 0.00 N ATOM 420 CA GLU B 733 -1.607 -10.308 -9.514 1.00 0.00 C ATOM 421 C GLU B 733 -2.120 -8.908 -9.821 1.00 0.00 C ATOM 422 O GLU B 733 -2.029 -8.447 -10.950 1.00 0.00 O ATOM 423 CB GLU B 733 -2.770 -11.303 -9.551 1.00 0.00 C ATOM 424 CG GLU B 733 -2.227 -12.731 -9.466 1.00 0.00 C ATOM 425 CD GLU B 733 -3.383 -13.724 -9.413 1.00 0.00 C ATOM 426 OE1 GLU B 733 -4.520 -13.285 -9.484 1.00 0.00 O ATOM 427 OE2 GLU B 733 -3.115 -14.909 -9.302 1.00 0.00 O ATOM 0 H GLU B 733 -1.447 -10.904 -7.508 1.00 0.00 H new ATOM 0 HA GLU B 733 -0.871 -10.588 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -3.451 -11.112 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -3.342 -11.175 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -1.595 -12.941 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -1.602 -12.840 -8.580 1.00 0.00 H new ATOM 434 N ARG B 734 -2.666 -8.230 -8.815 1.00 0.00 N ATOM 435 CA ARG B 734 -3.181 -6.885 -9.012 1.00 0.00 C ATOM 436 C ARG B 734 -2.038 -5.900 -9.240 1.00 0.00 C ATOM 437 O ARG B 734 -2.128 -5.011 -10.086 1.00 0.00 O ATOM 438 CB ARG B 734 -3.982 -6.468 -7.785 1.00 0.00 C ATOM 439 CG ARG B 734 -4.615 -5.103 -8.030 1.00 0.00 C ATOM 440 CD ARG B 734 -5.444 -4.701 -6.817 1.00 0.00 C ATOM 441 NE ARG B 734 -4.583 -4.469 -5.664 1.00 0.00 N ATOM 442 CZ ARG B 734 -5.092 -4.186 -4.468 1.00 0.00 C ATOM 443 NH1 ARG B 734 -6.386 -4.103 -4.312 1.00 0.00 N ATOM 444 NH2 ARG B 734 -4.299 -3.984 -3.453 1.00 0.00 N ATOM 0 H ARG B 734 -2.761 -8.589 -7.865 1.00 0.00 H new ATOM 0 HA ARG B 734 -3.823 -6.878 -9.892 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -4.755 -7.207 -7.574 1.00 0.00 H new ATOM 0 HB3 ARG B 734 -3.333 -6.428 -6.910 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -3.840 -4.359 -8.217 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -5.245 -5.137 -8.919 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -6.013 -3.799 -7.041 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -6.166 -5.484 -6.587 1.00 0.00 H new ATOM 0 HE ARG B 734 -3.571 -4.525 -5.776 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -7.006 -4.255 -5.107 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -6.776 -3.886 -3.395 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -3.288 -4.043 -3.576 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -4.689 -3.767 -2.536 1.00 0.00 H new ATOM 458 N ALA B 735 -0.972 -6.061 -8.466 1.00 0.00 N ATOM 459 CA ALA B 735 0.184 -5.177 -8.576 1.00 0.00 C ATOM 460 C ALA B 735 0.830 -5.279 -9.956 1.00 0.00 C ATOM 461 O ALA B 735 1.477 -4.340 -10.415 1.00 0.00 O ATOM 462 CB ALA B 735 1.222 -5.525 -7.505 1.00 0.00 C ATOM 0 H ALA B 735 -0.883 -6.791 -7.759 1.00 0.00 H new ATOM 0 HA ALA B 735 -0.167 -4.155 -8.430 1.00 0.00 H new ATOM 0 HB1 ALA B 735 2.079 -4.858 -7.599 1.00 0.00 H new ATOM 0 HB2 ALA B 735 0.778 -5.409 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA B 735 1.549 -6.556 -7.637 1.00 0.00 H new ATOM 468 N ARG B 736 0.658 -6.423 -10.608 1.00 0.00 N ATOM 469 CA ARG B 736 1.238 -6.634 -11.921 1.00 0.00 C ATOM 470 C ARG B 736 0.747 -5.562 -12.895 1.00 0.00 C ATOM 471 O ARG B 736 1.445 -5.197 -13.839 1.00 0.00 O ATOM 472 CB ARG B 736 0.849 -8.041 -12.425 1.00 0.00 C ATOM 473 CG ARG B 736 -0.448 -7.985 -13.250 1.00 0.00 C ATOM 474 CD ARG B 736 -0.978 -9.395 -13.490 1.00 0.00 C ATOM 475 NE ARG B 736 -2.254 -9.325 -14.186 1.00 0.00 N ATOM 476 CZ ARG B 736 -2.868 -10.423 -14.597 1.00 0.00 C ATOM 477 NH1 ARG B 736 -2.324 -11.587 -14.381 1.00 0.00 N ATOM 478 NH2 ARG B 736 -4.013 -10.339 -15.216 1.00 0.00 N ATOM 0 H ARG B 736 0.123 -7.213 -10.248 1.00 0.00 H new ATOM 0 HA ARG B 736 2.324 -6.562 -11.856 1.00 0.00 H new ATOM 0 HB2 ARG B 736 1.655 -8.450 -13.034 1.00 0.00 H new ATOM 0 HB3 ARG B 736 0.717 -8.713 -11.577 1.00 0.00 H new ATOM 0 HG2 ARG B 736 -1.197 -7.391 -12.725 1.00 0.00 H new ATOM 0 HG3 ARG B 736 -0.261 -7.491 -14.204 1.00 0.00 H new ATOM 0 HD2 ARG B 736 -0.262 -9.968 -14.079 1.00 0.00 H new ATOM 0 HD3 ARG B 736 -1.099 -9.916 -12.540 1.00 0.00 H new ATOM 0 HE ARG B 736 -2.682 -8.416 -14.360 1.00 0.00 H new ATOM 0 HH11 ARG B 736 -1.428 -11.649 -13.897 1.00 0.00 H new ATOM 0 HH12 ARG B 736 -2.794 -12.436 -14.696 1.00 0.00 H new ATOM 0 HH21 ARG B 736 -4.436 -9.426 -15.384 1.00 0.00 H new ATOM 0 HH22 ARG B 736 -4.485 -11.186 -15.532 1.00 0.00 H new ATOM 492 N ALA B 737 -0.476 -5.089 -12.670 1.00 0.00 N ATOM 493 CA ALA B 737 -1.071 -4.081 -13.543 1.00 0.00 C ATOM 494 C ALA B 737 -0.687 -2.686 -13.091 1.00 0.00 C ATOM 495 O ALA B 737 -1.257 -1.693 -13.544 1.00 0.00 O ATOM 496 CB ALA B 737 -2.594 -4.222 -13.547 1.00 0.00 C ATOM 0 H ALA B 737 -1.071 -5.385 -11.896 1.00 0.00 H new ATOM 0 HA ALA B 737 -0.692 -4.237 -14.553 1.00 0.00 H new ATOM 0 HB1 ALA B 737 -3.028 -3.466 -14.201 1.00 0.00 H new ATOM 0 HB2 ALA B 737 -2.867 -5.214 -13.908 1.00 0.00 H new ATOM 0 HB3 ALA B 737 -2.975 -4.087 -12.534 1.00 0.00 H new ATOM 502 N LYS B 738 0.286 -2.617 -12.189 1.00 0.00 N ATOM 503 CA LYS B 738 0.750 -1.330 -11.665 1.00 0.00 C ATOM 504 C LYS B 738 1.940 -0.819 -12.462 1.00 0.00 C ATOM 505 O LYS B 738 2.709 0.013 -11.989 1.00 0.00 O ATOM 506 CB LYS B 738 1.138 -1.470 -10.187 1.00 0.00 C ATOM 507 CG LYS B 738 1.046 -0.107 -9.488 1.00 0.00 C ATOM 508 CD LYS B 738 1.319 -0.274 -7.994 1.00 0.00 C ATOM 509 CE LYS B 738 1.218 1.088 -7.308 1.00 0.00 C ATOM 510 NZ LYS B 738 1.466 0.927 -5.848 1.00 0.00 N ATOM 0 H LYS B 738 0.768 -3.430 -11.805 1.00 0.00 H new ATOM 0 HA LYS B 738 -0.065 -0.612 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS B 738 0.478 -2.185 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS B 738 2.152 -1.863 -10.104 1.00 0.00 H new ATOM 0 HG2 LYS B 738 1.766 0.585 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS B 738 0.057 0.325 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS B 738 0.602 -0.969 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS B 738 2.310 -0.700 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS B 738 1.944 1.778 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS B 738 0.231 1.519 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 738 1.398 1.853 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 738 0.757 0.282 -5.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 738 2.417 0.533 -5.699 1.00 0.00 H new ATOM 524 N TRP B 739 2.080 -1.325 -13.674 1.00 0.00 N ATOM 525 CA TRP B 739 3.182 -0.917 -14.542 1.00 0.00 C ATOM 526 C TRP B 739 2.869 0.410 -15.227 1.00 0.00 C ATOM 527 O TRP B 739 3.571 0.833 -16.146 1.00 0.00 O ATOM 528 CB TRP B 739 3.444 -1.996 -15.593 1.00 0.00 C ATOM 529 CG TRP B 739 4.546 -1.549 -16.497 1.00 0.00 C ATOM 530 CD1 TRP B 739 4.367 -1.072 -17.746 1.00 0.00 C ATOM 531 CD2 TRP B 739 5.981 -1.521 -16.248 1.00 0.00 C ATOM 532 NE1 TRP B 739 5.600 -0.750 -18.286 1.00 0.00 N ATOM 533 CE2 TRP B 739 6.628 -1.012 -17.401 1.00 0.00 C ATOM 534 CE3 TRP B 739 6.775 -1.886 -15.148 1.00 0.00 C ATOM 535 CZ2 TRP B 739 8.017 -0.868 -17.455 1.00 0.00 C ATOM 536 CZ3 TRP B 739 8.172 -1.744 -15.201 1.00 0.00 C ATOM 537 CH2 TRP B 739 8.791 -1.236 -16.352 1.00 0.00 C ATOM 0 H TRP B 739 1.451 -2.016 -14.083 1.00 0.00 H new ATOM 0 HA TRP B 739 4.074 -0.787 -13.929 1.00 0.00 H new ATOM 0 HB2 TRP B 739 3.714 -2.934 -15.108 1.00 0.00 H new ATOM 0 HB3 TRP B 739 2.539 -2.185 -16.170 1.00 0.00 H new ATOM 0 HD1 TRP B 739 3.415 -0.960 -18.244 1.00 0.00 H new ATOM 0 HE1 TRP B 739 5.733 -0.367 -19.222 1.00 0.00 H new ATOM 0 HE3 TRP B 739 6.309 -2.278 -14.256 1.00 0.00 H new ATOM 0 HZ2 TRP B 739 8.489 -0.475 -18.343 1.00 0.00 H new ATOM 0 HZ3 TRP B 739 8.773 -2.028 -14.350 1.00 0.00 H new ATOM 0 HH2 TRP B 739 9.865 -1.129 -16.386 1.00 0.00 H new ATOM 548 N ASP B 740 1.813 1.065 -14.771 1.00 0.00 N ATOM 549 CA ASP B 740 1.415 2.341 -15.340 1.00 0.00 C ATOM 550 C ASP B 740 2.355 3.445 -14.872 1.00 0.00 C ATOM 551 O ASP B 740 3.308 3.196 -14.133 1.00 0.00 O ATOM 552 CB ASP B 740 -0.021 2.674 -14.925 1.00 0.00 C ATOM 553 CG ASP B 740 -0.537 3.858 -15.737 1.00 0.00 C ATOM 554 OD1 ASP B 740 -0.008 4.087 -16.812 1.00 0.00 O ATOM 555 OD2 ASP B 740 -1.452 4.516 -15.271 1.00 0.00 O ATOM 0 H ASP B 740 1.218 0.735 -14.011 1.00 0.00 H new ATOM 0 HA ASP B 740 1.467 2.270 -16.426 1.00 0.00 H new ATOM 0 HB2 ASP B 740 -0.664 1.808 -15.081 1.00 0.00 H new ATOM 0 HB3 ASP B 740 -0.056 2.909 -13.861 1.00 0.00 H new ATOM 560 N THR B 741 2.077 4.661 -15.310 1.00 0.00 N ATOM 561 CA THR B 741 2.900 5.811 -14.934 1.00 0.00 C ATOM 562 C THR B 741 3.161 5.816 -13.430 1.00 0.00 C ATOM 563 O THR B 741 4.015 6.545 -12.935 1.00 0.00 O ATOM 564 CB THR B 741 2.200 7.113 -15.349 1.00 0.00 C ATOM 565 OG1 THR B 741 3.162 8.156 -15.442 1.00 0.00 O ATOM 566 CG2 THR B 741 1.124 7.494 -14.324 1.00 0.00 C ATOM 0 H THR B 741 1.293 4.883 -15.924 1.00 0.00 H new ATOM 0 HA THR B 741 3.857 5.737 -15.451 1.00 0.00 H new ATOM 0 HB THR B 741 1.722 6.965 -16.317 1.00 0.00 H new ATOM 0 HG1 THR B 741 3.832 8.047 -14.735 1.00 0.00 H new ATOM 0 HG21 THR B 741 0.638 8.419 -14.634 1.00 0.00 H new ATOM 0 HG22 THR B 741 0.382 6.698 -14.262 1.00 0.00 H new ATOM 0 HG23 THR B 741 1.586 7.636 -13.347 1.00 0.00 H new ATOM 574 N ALA B 742 2.406 5.004 -12.716 1.00 0.00 N ATOM 575 CA ALA B 742 2.551 4.923 -11.269 1.00 0.00 C ATOM 576 C ALA B 742 3.917 4.368 -10.894 1.00 0.00 C ATOM 577 O ALA B 742 4.377 4.531 -9.762 1.00 0.00 O ATOM 578 CB ALA B 742 1.456 4.038 -10.673 1.00 0.00 C ATOM 0 H ALA B 742 1.689 4.393 -13.108 1.00 0.00 H new ATOM 0 HA ALA B 742 2.458 5.931 -10.864 1.00 0.00 H new ATOM 0 HB1 ALA B 742 1.578 3.987 -9.591 1.00 0.00 H new ATOM 0 HB2 ALA B 742 0.479 4.460 -10.909 1.00 0.00 H new ATOM 0 HB3 ALA B 742 1.529 3.035 -11.094 1.00 0.00 H new ATOM 584 N ASN B 743 4.564 3.706 -11.847 1.00 0.00 N ATOM 585 CA ASN B 743 5.882 3.123 -11.616 1.00 0.00 C ATOM 586 C ASN B 743 6.970 3.995 -12.233 1.00 0.00 C ATOM 587 O ASN B 743 8.144 3.622 -12.245 1.00 0.00 O ATOM 588 CB ASN B 743 5.936 1.723 -12.229 1.00 0.00 C ATOM 589 CG ASN B 743 5.134 0.753 -11.380 1.00 0.00 C ATOM 590 OD1 ASN B 743 4.524 1.187 -10.319 1.00 0.00 O flip ATOM 591 ND2 ASN B 743 5.053 -0.432 -11.700 1.00 0.00 N flip ATOM 0 H ASN B 743 4.198 3.559 -12.788 1.00 0.00 H new ATOM 0 HA ASN B 743 6.054 3.061 -10.541 1.00 0.00 H new ATOM 0 HB2 ASN B 743 5.538 1.746 -13.244 1.00 0.00 H new ATOM 0 HB3 ASN B 743 6.971 1.388 -12.300 1.00 0.00 H new ATOM 0 HD21 ASN B 743 5.534 -0.769 -12.534 1.00 0.00 H new ATOM 0 HD22 ASN B 743 4.505 -1.078 -11.131 1.00 0.00 H new ATOM 598 N ASN B 744 6.574 5.156 -12.746 1.00 0.00 N ATOM 599 CA ASN B 744 7.527 6.066 -13.362 1.00 0.00 C ATOM 600 C ASN B 744 8.334 6.812 -12.292 1.00 0.00 C ATOM 601 O ASN B 744 7.819 7.107 -11.215 1.00 0.00 O ATOM 602 CB ASN B 744 6.806 7.078 -14.254 1.00 0.00 C ATOM 603 CG ASN B 744 6.349 6.400 -15.540 1.00 0.00 C ATOM 604 OD1 ASN B 744 6.587 5.208 -15.733 1.00 0.00 O ATOM 605 ND2 ASN B 744 5.706 7.094 -16.437 1.00 0.00 N ATOM 0 H ASN B 744 5.608 5.485 -12.747 1.00 0.00 H new ATOM 0 HA ASN B 744 8.208 5.473 -13.972 1.00 0.00 H new ATOM 0 HB2 ASN B 744 5.948 7.494 -13.727 1.00 0.00 H new ATOM 0 HB3 ASN B 744 7.471 7.910 -14.487 1.00 0.00 H new ATOM 0 HD21 ASN B 744 5.399 6.649 -17.302 1.00 0.00 H new ATOM 0 HD22 ASN B 744 5.510 8.082 -16.274 1.00 0.00 H new ATOM 612 N PRO B 745 9.575 7.122 -12.567 1.00 0.00 N ATOM 613 CA PRO B 745 10.453 7.849 -11.610 1.00 0.00 C ATOM 614 C PRO B 745 9.752 9.040 -10.968 1.00 0.00 C ATOM 615 O PRO B 745 9.981 9.359 -9.801 1.00 0.00 O ATOM 616 CB PRO B 745 11.629 8.319 -12.483 1.00 0.00 C ATOM 617 CG PRO B 745 11.686 7.367 -13.636 1.00 0.00 C ATOM 618 CD PRO B 745 10.275 6.800 -13.819 1.00 0.00 C ATOM 0 HA PRO B 745 10.755 7.216 -10.776 1.00 0.00 H new ATOM 0 HB2 PRO B 745 11.476 9.342 -12.827 1.00 0.00 H new ATOM 0 HB3 PRO B 745 12.563 8.308 -11.920 1.00 0.00 H new ATOM 0 HG2 PRO B 745 12.017 7.877 -14.541 1.00 0.00 H new ATOM 0 HG3 PRO B 745 12.401 6.567 -13.441 1.00 0.00 H new ATOM 0 HD2 PRO B 745 9.776 7.250 -14.678 1.00 0.00 H new ATOM 0 HD3 PRO B 745 10.301 5.724 -13.992 1.00 0.00 H new ATOM 626 N LEU B 746 8.906 9.686 -11.739 1.00 0.00 N ATOM 627 CA LEU B 746 8.174 10.847 -11.246 1.00 0.00 C ATOM 628 C LEU B 746 7.292 10.449 -10.065 1.00 0.00 C ATOM 629 O LEU B 746 7.058 11.243 -9.155 1.00 0.00 O ATOM 630 CB LEU B 746 7.306 11.443 -12.366 1.00 0.00 C ATOM 631 CG LEU B 746 8.160 12.342 -13.261 1.00 0.00 C ATOM 632 CD1 LEU B 746 9.291 11.516 -13.872 1.00 0.00 C ATOM 633 CD2 LEU B 746 7.289 12.926 -14.377 1.00 0.00 C ATOM 0 H LEU B 746 8.704 9.434 -12.706 1.00 0.00 H new ATOM 0 HA LEU B 746 8.893 11.598 -10.917 1.00 0.00 H new ATOM 0 HB2 LEU B 746 6.860 10.643 -12.958 1.00 0.00 H new ATOM 0 HB3 LEU B 746 6.485 12.017 -11.936 1.00 0.00 H new ATOM 0 HG LEU B 746 8.581 13.155 -12.670 1.00 0.00 H new ATOM 0 HD11 LEU B 746 9.903 12.153 -14.511 1.00 0.00 H new ATOM 0 HD12 LEU B 746 9.909 11.100 -13.076 1.00 0.00 H new ATOM 0 HD13 LEU B 746 8.869 10.705 -14.465 1.00 0.00 H new ATOM 0 HD21 LEU B 746 7.897 13.567 -15.015 1.00 0.00 H new ATOM 0 HD22 LEU B 746 6.868 12.115 -14.972 1.00 0.00 H new ATOM 0 HD23 LEU B 746 6.481 13.512 -13.939 1.00 0.00 H new ATOM 645 N TYR B 747 6.799 9.217 -10.091 1.00 0.00 N ATOM 646 CA TYR B 747 5.936 8.733 -9.021 1.00 0.00 C ATOM 647 C TYR B 747 6.669 8.753 -7.684 1.00 0.00 C ATOM 648 O TYR B 747 6.130 9.211 -6.675 1.00 0.00 O ATOM 649 CB TYR B 747 5.473 7.312 -9.330 1.00 0.00 C ATOM 650 CG TYR B 747 4.625 6.794 -8.192 1.00 0.00 C ATOM 651 CD1 TYR B 747 3.283 7.182 -8.081 1.00 0.00 C ATOM 652 CD2 TYR B 747 5.181 5.927 -7.246 1.00 0.00 C ATOM 653 CE1 TYR B 747 2.499 6.701 -7.024 1.00 0.00 C ATOM 654 CE2 TYR B 747 4.399 5.447 -6.189 1.00 0.00 C ATOM 655 CZ TYR B 747 3.058 5.834 -6.079 1.00 0.00 C ATOM 656 OH TYR B 747 2.287 5.361 -5.036 1.00 0.00 O ATOM 0 H TYR B 747 6.979 8.541 -10.833 1.00 0.00 H new ATOM 0 HA TYR B 747 5.070 9.392 -8.954 1.00 0.00 H new ATOM 0 HB2 TYR B 747 4.901 7.299 -10.258 1.00 0.00 H new ATOM 0 HB3 TYR B 747 6.336 6.662 -9.479 1.00 0.00 H new ATOM 0 HD1 TYR B 747 2.853 7.852 -8.811 1.00 0.00 H new ATOM 0 HD2 TYR B 747 6.215 5.627 -7.331 1.00 0.00 H new ATOM 0 HE1 TYR B 747 1.464 6.999 -6.939 1.00 0.00 H new ATOM 0 HE2 TYR B 747 4.830 4.778 -5.459 1.00 0.00 H new ATOM 0 HH TYR B 747 2.828 4.770 -4.472 1.00 0.00 H new ATOM 666 N LYS B 748 7.902 8.259 -7.681 1.00 0.00 N ATOM 667 CA LYS B 748 8.696 8.228 -6.475 1.00 0.00 C ATOM 668 C LYS B 748 8.999 9.651 -6.011 1.00 0.00 C ATOM 669 O LYS B 748 8.965 9.946 -4.816 1.00 0.00 O ATOM 670 CB LYS B 748 9.999 7.444 -6.740 1.00 0.00 C ATOM 671 CG LYS B 748 11.080 7.901 -5.765 1.00 0.00 C ATOM 672 CD LYS B 748 12.241 6.907 -5.746 1.00 0.00 C ATOM 673 CE LYS B 748 13.341 7.423 -4.812 1.00 0.00 C ATOM 674 NZ LYS B 748 12.938 7.202 -3.393 1.00 0.00 N ATOM 0 H LYS B 748 8.367 7.876 -8.504 1.00 0.00 H new ATOM 0 HA LYS B 748 8.141 7.726 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS B 748 9.821 6.375 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS B 748 10.329 7.605 -7.766 1.00 0.00 H new ATOM 0 HG2 LYS B 748 11.443 8.888 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS B 748 10.659 7.996 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS B 748 11.892 5.931 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS B 748 12.637 6.775 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS B 748 14.279 6.907 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS B 748 13.515 8.484 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 13.726 7.458 -2.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 12.111 7.793 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 12.695 6.200 -3.253 1.00 0.00 H new ATOM 688 N GLU B 749 9.318 10.519 -6.960 1.00 0.00 N ATOM 689 CA GLU B 749 9.651 11.894 -6.629 1.00 0.00 C ATOM 690 C GLU B 749 8.489 12.564 -5.914 1.00 0.00 C ATOM 691 O GLU B 749 8.683 13.330 -4.969 1.00 0.00 O ATOM 692 CB GLU B 749 9.994 12.669 -7.905 1.00 0.00 C ATOM 693 CG GLU B 749 10.572 14.039 -7.538 1.00 0.00 C ATOM 694 CD GLU B 749 11.962 13.873 -6.933 1.00 0.00 C ATOM 695 OE1 GLU B 749 12.469 12.764 -6.961 1.00 0.00 O ATOM 696 OE2 GLU B 749 12.497 14.857 -6.449 1.00 0.00 O ATOM 0 H GLU B 749 9.353 10.298 -7.955 1.00 0.00 H new ATOM 0 HA GLU B 749 10.516 11.894 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU B 749 10.714 12.108 -8.500 1.00 0.00 H new ATOM 0 HB3 GLU B 749 9.101 12.793 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU B 749 10.625 14.670 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU B 749 9.915 14.542 -6.828 1.00 0.00 H new ATOM 703 N ALA B 750 7.283 12.269 -6.369 1.00 0.00 N ATOM 704 CA ALA B 750 6.086 12.846 -5.766 1.00 0.00 C ATOM 705 C ALA B 750 5.910 12.347 -4.336 1.00 0.00 C ATOM 706 O ALA B 750 5.498 13.097 -3.453 1.00 0.00 O ATOM 707 CB ALA B 750 4.852 12.482 -6.592 1.00 0.00 C ATOM 0 H ALA B 750 7.104 11.637 -7.149 1.00 0.00 H new ATOM 0 HA ALA B 750 6.201 13.930 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA B 750 3.965 12.918 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA B 750 4.964 12.870 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA B 750 4.746 11.398 -6.629 1.00 0.00 H new ATOM 713 N THR B 751 6.228 11.075 -4.116 1.00 0.00 N ATOM 714 CA THR B 751 6.101 10.480 -2.791 1.00 0.00 C ATOM 715 C THR B 751 6.987 11.210 -1.791 1.00 0.00 C ATOM 716 O THR B 751 6.573 11.482 -0.665 1.00 0.00 O ATOM 717 CB THR B 751 6.492 9.002 -2.843 1.00 0.00 C ATOM 718 OG1 THR B 751 5.605 8.305 -3.708 1.00 0.00 O ATOM 719 CG2 THR B 751 6.414 8.399 -1.441 1.00 0.00 C ATOM 0 H THR B 751 6.574 10.439 -4.835 1.00 0.00 H new ATOM 0 HA THR B 751 5.063 10.568 -2.470 1.00 0.00 H new ATOM 0 HB THR B 751 7.511 8.913 -3.219 1.00 0.00 H new ATOM 0 HG1 THR B 751 5.774 8.573 -4.635 1.00 0.00 H new ATOM 0 HG21 THR B 751 6.693 7.346 -1.482 1.00 0.00 H new ATOM 0 HG22 THR B 751 7.097 8.930 -0.778 1.00 0.00 H new ATOM 0 HG23 THR B 751 5.396 8.490 -1.062 1.00 0.00 H new ATOM 727 N SER B 752 8.210 11.521 -2.205 1.00 0.00 N ATOM 728 CA SER B 752 9.141 12.216 -1.328 1.00 0.00 C ATOM 729 C SER B 752 8.524 13.515 -0.821 1.00 0.00 C ATOM 730 O SER B 752 8.663 13.866 0.352 1.00 0.00 O ATOM 731 CB SER B 752 10.436 12.523 -2.084 1.00 0.00 C ATOM 732 OG SER B 752 10.163 13.453 -3.124 1.00 0.00 O ATOM 0 H SER B 752 8.576 11.305 -3.132 1.00 0.00 H new ATOM 0 HA SER B 752 9.362 11.574 -0.475 1.00 0.00 H new ATOM 0 HB2 SER B 752 11.181 12.932 -1.401 1.00 0.00 H new ATOM 0 HB3 SER B 752 10.854 11.606 -2.500 1.00 0.00 H new ATOM 0 HG SER B 752 9.685 13.001 -3.850 1.00 0.00 H new ATOM 738 N THR B 753 7.835 14.219 -1.709 1.00 0.00 N ATOM 739 CA THR B 753 7.189 15.476 -1.339 1.00 0.00 C ATOM 740 C THR B 753 6.088 15.230 -0.314 1.00 0.00 C ATOM 741 O THR B 753 5.986 15.942 0.683 1.00 0.00 O ATOM 742 CB THR B 753 6.605 16.156 -2.579 1.00 0.00 C ATOM 743 OG1 THR B 753 7.593 16.204 -3.599 1.00 0.00 O ATOM 744 CG2 THR B 753 6.165 17.579 -2.224 1.00 0.00 C ATOM 0 H THR B 753 7.708 13.946 -2.684 1.00 0.00 H new ATOM 0 HA THR B 753 7.939 16.131 -0.895 1.00 0.00 H new ATOM 0 HB THR B 753 5.743 15.590 -2.933 1.00 0.00 H new ATOM 0 HG1 THR B 753 7.221 16.638 -4.395 1.00 0.00 H new ATOM 0 HG21 THR B 753 5.749 18.062 -3.108 1.00 0.00 H new ATOM 0 HG22 THR B 753 5.408 17.541 -1.441 1.00 0.00 H new ATOM 0 HG23 THR B 753 7.025 18.148 -1.870 1.00 0.00 H new ATOM 752 N PHE B 754 5.275 14.208 -0.563 1.00 0.00 N ATOM 753 CA PHE B 754 4.189 13.860 0.341 1.00 0.00 C ATOM 754 C PHE B 754 4.740 13.438 1.690 1.00 0.00 C ATOM 755 O PHE B 754 4.142 13.710 2.717 1.00 0.00 O ATOM 756 CB PHE B 754 3.356 12.724 -0.266 1.00 0.00 C ATOM 757 CG PHE B 754 2.459 13.268 -1.360 1.00 0.00 C ATOM 758 CD1 PHE B 754 1.442 14.177 -1.043 1.00 0.00 C ATOM 759 CD2 PHE B 754 2.645 12.864 -2.689 1.00 0.00 C ATOM 760 CE1 PHE B 754 0.614 14.683 -2.052 1.00 0.00 C ATOM 761 CE2 PHE B 754 1.818 13.371 -3.697 1.00 0.00 C ATOM 762 CZ PHE B 754 0.802 14.279 -3.379 1.00 0.00 C ATOM 0 H PHE B 754 5.349 13.607 -1.384 1.00 0.00 H new ATOM 0 HA PHE B 754 3.554 14.734 0.484 1.00 0.00 H new ATOM 0 HB2 PHE B 754 4.014 11.956 -0.672 1.00 0.00 H new ATOM 0 HB3 PHE B 754 2.753 12.250 0.508 1.00 0.00 H new ATOM 0 HD1 PHE B 754 1.296 14.488 -0.019 1.00 0.00 H new ATOM 0 HD2 PHE B 754 3.427 12.161 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE B 754 -0.169 15.385 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE B 754 1.964 13.061 -4.721 1.00 0.00 H new ATOM 0 HZ PHE B 754 0.163 14.668 -4.158 1.00 0.00 H new ATOM 772 N THR B 755 5.882 12.774 1.681 1.00 0.00 N ATOM 773 CA THR B 755 6.489 12.323 2.923 1.00 0.00 C ATOM 774 C THR B 755 6.765 13.502 3.847 1.00 0.00 C ATOM 775 O THR B 755 6.566 13.418 5.054 1.00 0.00 O ATOM 776 CB THR B 755 7.794 11.587 2.627 1.00 0.00 C ATOM 777 OG1 THR B 755 7.579 10.653 1.578 1.00 0.00 O ATOM 778 CG2 THR B 755 8.264 10.849 3.882 1.00 0.00 C ATOM 0 H THR B 755 6.404 12.536 0.838 1.00 0.00 H new ATOM 0 HA THR B 755 5.794 11.646 3.419 1.00 0.00 H new ATOM 0 HB THR B 755 8.557 12.305 2.326 1.00 0.00 H new ATOM 0 HG1 THR B 755 7.586 11.121 0.717 1.00 0.00 H new ATOM 0 HG21 THR B 755 9.195 10.325 3.668 1.00 0.00 H new ATOM 0 HG22 THR B 755 8.428 11.566 4.686 1.00 0.00 H new ATOM 0 HG23 THR B 755 7.504 10.129 4.187 1.00 0.00 H new ATOM 786 N ASN B 756 7.236 14.597 3.271 1.00 0.00 N ATOM 787 CA ASN B 756 7.547 15.784 4.059 1.00 0.00 C ATOM 788 C ASN B 756 6.299 16.336 4.738 1.00 0.00 C ATOM 789 O ASN B 756 6.340 16.730 5.903 1.00 0.00 O ATOM 790 CB ASN B 756 8.144 16.866 3.157 1.00 0.00 C ATOM 791 CG ASN B 756 8.431 18.127 3.968 1.00 0.00 C ATOM 792 OD1 ASN B 756 7.708 19.117 3.857 1.00 0.00 O ATOM 793 ND2 ASN B 756 9.451 18.149 4.780 1.00 0.00 N ATOM 0 H ASN B 756 7.411 14.691 2.270 1.00 0.00 H new ATOM 0 HA ASN B 756 8.266 15.498 4.826 1.00 0.00 H new ATOM 0 HB2 ASN B 756 9.064 16.502 2.699 1.00 0.00 H new ATOM 0 HB3 ASN B 756 7.453 17.096 2.346 1.00 0.00 H new ATOM 0 HD21 ASN B 756 9.651 18.988 5.325 1.00 0.00 H new ATOM 0 HD22 ASN B 756 10.049 17.327 4.870 1.00 0.00 H new ATOM 800 N ILE B 757 5.189 16.374 4.002 1.00 0.00 N ATOM 801 CA ILE B 757 3.937 16.903 4.550 1.00 0.00 C ATOM 802 C ILE B 757 3.127 15.802 5.229 1.00 0.00 C ATOM 803 O ILE B 757 2.684 15.945 6.367 1.00 0.00 O ATOM 804 CB ILE B 757 3.100 17.532 3.424 1.00 0.00 C ATOM 805 CG1 ILE B 757 4.040 18.138 2.377 1.00 0.00 C ATOM 806 CG2 ILE B 757 2.201 18.632 4.007 1.00 0.00 C ATOM 807 CD1 ILE B 757 3.244 19.021 1.408 1.00 0.00 C ATOM 0 H ILE B 757 5.129 16.050 3.037 1.00 0.00 H new ATOM 0 HA ILE B 757 4.185 17.660 5.294 1.00 0.00 H new ATOM 0 HB ILE B 757 2.478 16.768 2.958 1.00 0.00 H new ATOM 0 HG12 ILE B 757 4.813 18.728 2.868 1.00 0.00 H new ATOM 0 HG13 ILE B 757 4.546 17.344 1.827 1.00 0.00 H new ATOM 0 HG21 ILE B 757 1.608 19.078 3.209 1.00 0.00 H new ATOM 0 HG22 ILE B 757 1.536 18.200 4.755 1.00 0.00 H new ATOM 0 HG23 ILE B 757 2.820 19.400 4.471 1.00 0.00 H new ATOM 0 HD11 ILE B 757 3.919 19.448 0.667 1.00 0.00 H new ATOM 0 HD12 ILE B 757 2.487 18.419 0.905 1.00 0.00 H new ATOM 0 HD13 ILE B 757 2.759 19.824 1.963 1.00 0.00 H new ATOM 819 N THR B 758 2.942 14.710 4.509 1.00 0.00 N ATOM 820 CA THR B 758 2.180 13.581 5.029 1.00 0.00 C ATOM 821 C THR B 758 2.765 13.106 6.350 1.00 0.00 C ATOM 822 O THR B 758 2.217 12.214 6.996 1.00 0.00 O ATOM 823 CB THR B 758 2.188 12.424 4.022 1.00 0.00 C ATOM 824 OG1 THR B 758 1.763 12.896 2.754 1.00 0.00 O ATOM 825 CG2 THR B 758 1.246 11.310 4.494 1.00 0.00 C ATOM 0 H THR B 758 3.306 14.578 3.565 1.00 0.00 H new ATOM 0 HA THR B 758 1.154 13.910 5.192 1.00 0.00 H new ATOM 0 HB THR B 758 3.200 12.027 3.945 1.00 0.00 H new ATOM 0 HG1 THR B 758 2.389 13.577 2.432 1.00 0.00 H new ATOM 0 HG21 THR B 758 1.258 10.493 3.773 1.00 0.00 H new ATOM 0 HG22 THR B 758 1.576 10.942 5.465 1.00 0.00 H new ATOM 0 HG23 THR B 758 0.233 11.702 4.580 1.00 0.00 H new ATOM 833 N TYR B 759 3.879 13.710 6.756 1.00 0.00 N ATOM 834 CA TYR B 759 4.524 13.338 8.012 1.00 0.00 C ATOM 835 C TYR B 759 5.204 14.548 8.638 1.00 0.00 C ATOM 836 O TYR B 759 6.425 14.687 8.577 1.00 0.00 O ATOM 837 CB TYR B 759 5.561 12.244 7.764 1.00 0.00 C ATOM 838 CG TYR B 759 6.030 11.688 9.086 1.00 0.00 C ATOM 839 CD1 TYR B 759 5.223 10.787 9.787 1.00 0.00 C ATOM 840 CD2 TYR B 759 7.272 12.071 9.608 1.00 0.00 C ATOM 841 CE1 TYR B 759 5.657 10.267 11.012 1.00 0.00 C ATOM 842 CE2 TYR B 759 7.705 11.552 10.832 1.00 0.00 C ATOM 843 CZ TYR B 759 6.898 10.650 11.534 1.00 0.00 C ATOM 844 OH TYR B 759 7.325 10.138 12.742 1.00 0.00 O ATOM 0 H TYR B 759 4.350 14.452 6.239 1.00 0.00 H new ATOM 0 HA TYR B 759 3.760 12.966 8.695 1.00 0.00 H new ATOM 0 HB2 TYR B 759 5.129 11.449 7.156 1.00 0.00 H new ATOM 0 HB3 TYR B 759 6.406 12.648 7.207 1.00 0.00 H new ATOM 0 HD1 TYR B 759 4.265 10.492 9.384 1.00 0.00 H new ATOM 0 HD2 TYR B 759 7.895 12.767 9.065 1.00 0.00 H new ATOM 0 HE1 TYR B 759 5.035 9.571 11.554 1.00 0.00 H new ATOM 0 HE2 TYR B 759 8.662 11.847 11.236 1.00 0.00 H new ATOM 0 HH TYR B 759 8.207 10.505 12.959 1.00 0.00 H new ATOM 854 N ARG B 760 4.404 15.424 9.240 1.00 0.00 N ATOM 855 CA ARG B 760 4.933 16.629 9.879 1.00 0.00 C ATOM 856 C ARG B 760 5.135 16.400 11.369 1.00 0.00 C ATOM 857 O ARG B 760 5.464 17.325 12.111 1.00 0.00 O ATOM 858 CB ARG B 760 3.969 17.797 9.660 1.00 0.00 C ATOM 859 CG ARG B 760 3.988 18.225 8.182 1.00 0.00 C ATOM 860 CD ARG B 760 5.103 19.252 7.938 1.00 0.00 C ATOM 861 NE ARG B 760 4.704 20.555 8.479 1.00 0.00 N ATOM 862 CZ ARG B 760 5.166 21.017 9.646 1.00 0.00 C ATOM 863 NH1 ARG B 760 5.994 20.302 10.361 1.00 0.00 N ATOM 864 NH2 ARG B 760 4.778 22.184 10.081 1.00 0.00 N ATOM 0 H ARG B 760 3.391 15.324 9.300 1.00 0.00 H new ATOM 0 HA ARG B 760 5.898 16.866 9.430 1.00 0.00 H new ATOM 0 HB2 ARG B 760 2.960 17.505 9.950 1.00 0.00 H new ATOM 0 HB3 ARG B 760 4.252 18.637 10.294 1.00 0.00 H new ATOM 0 HG2 ARG B 760 4.142 17.353 7.546 1.00 0.00 H new ATOM 0 HG3 ARG B 760 3.024 18.653 7.908 1.00 0.00 H new ATOM 0 HD2 ARG B 760 6.027 18.919 8.411 1.00 0.00 H new ATOM 0 HD3 ARG B 760 5.304 19.337 6.870 1.00 0.00 H new ATOM 0 HE ARG B 760 4.051 21.130 7.946 1.00 0.00 H new ATOM 0 HH11 ARG B 760 6.292 19.384 10.030 1.00 0.00 H new ATOM 0 HH12 ARG B 760 6.342 20.662 11.250 1.00 0.00 H new ATOM 0 HH21 ARG B 760 4.124 22.741 9.532 1.00 0.00 H new ATOM 0 HH22 ARG B 760 5.129 22.539 10.971 1.00 0.00 H new ATOM 878 N GLY B 761 4.941 15.160 11.801 1.00 0.00 N ATOM 879 CA GLY B 761 5.108 14.816 13.208 1.00 0.00 C ATOM 880 C GLY B 761 3.839 15.118 13.995 1.00 0.00 C ATOM 881 O GLY B 761 3.855 15.153 15.224 1.00 0.00 O ATOM 0 H GLY B 761 4.670 14.380 11.202 1.00 0.00 H new ATOM 0 HA2 GLY B 761 5.356 13.759 13.301 1.00 0.00 H new ATOM 0 HA3 GLY B 761 5.943 15.377 13.627 1.00 0.00 H new ATOM 885 N THR B 762 2.742 15.335 13.278 1.00 0.00 N ATOM 886 CA THR B 762 1.466 15.633 13.921 1.00 0.00 C ATOM 887 C THR B 762 0.803 14.349 14.412 1.00 0.00 C ATOM 888 O THR B 762 0.445 14.300 15.578 1.00 0.00 O ATOM 889 CB THR B 762 0.537 16.346 12.937 1.00 0.00 C ATOM 890 OG1 THR B 762 1.174 17.519 12.451 1.00 0.00 O ATOM 891 CG2 THR B 762 -0.765 16.726 13.645 1.00 0.00 C ATOM 892 OXT THR B 762 0.664 13.436 13.617 1.00 0.00 O ATOM 0 H THR B 762 2.709 15.311 12.259 1.00 0.00 H new ATOM 0 HA THR B 762 1.654 16.283 14.776 1.00 0.00 H new ATOM 0 HB THR B 762 0.313 15.682 12.102 1.00 0.00 H new ATOM 0 HG1 THR B 762 0.580 17.976 11.819 1.00 0.00 H new ATOM 0 HG21 THR B 762 -1.426 17.234 12.943 1.00 0.00 H new ATOM 0 HG22 THR B 762 -1.253 15.825 14.017 1.00 0.00 H new ATOM 0 HG23 THR B 762 -0.544 17.390 14.481 1.00 0.00 H new TER 900 THR B 762