USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 720 THR OG1 : rot 180:sc= 0 USER MOD Single : B 712 CYS SG : rot 180:sc= -1.87! USER MOD Single : B 722 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 725 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0481) USER MOD Single : B 729 LYS NZ :NH3+ 144:sc= -1.07 (180deg=-1.8) USER MOD Single : B 744 ASN : amide:sc= -1.25! K(o=-1.3!,f=-0.028) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 751 THR OG1 : rot 66:sc= 0.471 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 180:sc= 0 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.00448 USER MOD Single : B 756 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.3) USER MOD Single : B 758 THR OG1 : rot 139:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -22.470 -20.911 6.595 1.00 0.00 N ATOM 13 CA PRO B 710 -22.732 -20.384 7.965 1.00 0.00 C ATOM 14 C PRO B 710 -21.834 -19.198 8.307 1.00 0.00 C ATOM 15 O PRO B 710 -20.674 -19.145 7.901 1.00 0.00 O ATOM 16 CB PRO B 710 -22.444 -21.588 8.884 1.00 0.00 C ATOM 17 CG PRO B 710 -22.593 -22.789 8.004 1.00 0.00 C ATOM 18 CD PRO B 710 -22.148 -22.345 6.613 1.00 0.00 C ATOM 0 HA PRO B 710 -23.748 -20.002 8.070 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -21.441 -21.531 9.308 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -23.142 -21.622 9.721 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -21.981 -23.616 8.365 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -23.625 -23.138 7.991 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -21.084 -22.520 6.457 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -22.679 -22.886 5.829 1.00 0.00 H new ATOM 26 N GLU B 711 -22.384 -18.250 9.056 1.00 0.00 N ATOM 27 CA GLU B 711 -21.629 -17.068 9.450 1.00 0.00 C ATOM 28 C GLU B 711 -20.474 -17.450 10.369 1.00 0.00 C ATOM 29 O GLU B 711 -19.437 -16.788 10.385 1.00 0.00 O ATOM 30 CB GLU B 711 -22.546 -16.075 10.165 1.00 0.00 C ATOM 31 CG GLU B 711 -23.131 -16.726 11.421 1.00 0.00 C ATOM 32 CD GLU B 711 -24.105 -15.768 12.099 1.00 0.00 C ATOM 33 OE1 GLU B 711 -24.810 -15.071 11.390 1.00 0.00 O ATOM 34 OE2 GLU B 711 -24.130 -15.747 13.318 1.00 0.00 O ATOM 0 H GLU B 711 -23.344 -18.276 9.401 1.00 0.00 H new ATOM 0 HA GLU B 711 -21.224 -16.604 8.551 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -21.988 -15.179 10.435 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -23.349 -15.762 9.498 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -23.643 -17.651 11.156 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -22.329 -16.991 12.110 1.00 0.00 H new ATOM 41 N CYS B 712 -20.662 -18.519 11.139 1.00 0.00 N ATOM 42 CA CYS B 712 -19.628 -18.969 12.062 1.00 0.00 C ATOM 43 C CYS B 712 -18.349 -19.306 11.306 1.00 0.00 C ATOM 44 O CYS B 712 -17.262 -18.863 11.676 1.00 0.00 O ATOM 45 CB CYS B 712 -20.118 -20.203 12.827 1.00 0.00 C ATOM 46 SG CYS B 712 -20.274 -21.603 11.690 1.00 0.00 S ATOM 0 H CYS B 712 -21.512 -19.083 11.142 1.00 0.00 H new ATOM 0 HA CYS B 712 -19.416 -18.166 12.768 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -19.419 -20.448 13.627 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -21.079 -19.994 13.296 1.00 0.00 H new ATOM 0 HG CYS B 712 -20.688 -22.648 12.343 1.00 0.00 H new ATOM 52 N LEU B 713 -18.483 -20.086 10.243 1.00 0.00 N ATOM 53 CA LEU B 713 -17.329 -20.466 9.440 1.00 0.00 C ATOM 54 C LEU B 713 -16.705 -19.245 8.777 1.00 0.00 C ATOM 55 O LEU B 713 -15.482 -19.113 8.724 1.00 0.00 O ATOM 56 CB LEU B 713 -17.755 -21.486 8.373 1.00 0.00 C ATOM 57 CG LEU B 713 -17.780 -22.907 8.978 1.00 0.00 C ATOM 58 CD1 LEU B 713 -18.710 -23.801 8.159 1.00 0.00 C ATOM 59 CD2 LEU B 713 -16.364 -23.510 8.960 1.00 0.00 C ATOM 0 H LEU B 713 -19.372 -20.466 9.918 1.00 0.00 H new ATOM 0 HA LEU B 713 -16.583 -20.917 10.094 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -18.741 -21.229 7.987 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -17.064 -21.453 7.531 1.00 0.00 H new ATOM 0 HG LEU B 713 -18.138 -22.845 10.006 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -18.724 -24.802 8.589 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -19.718 -23.386 8.172 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -18.352 -23.853 7.131 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -16.390 -24.512 9.388 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -16.004 -23.564 7.932 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -15.694 -22.882 9.547 1.00 0.00 H new ATOM 71 N ILE B 714 -17.552 -18.367 8.269 1.00 0.00 N ATOM 72 CA ILE B 714 -17.073 -17.166 7.602 1.00 0.00 C ATOM 73 C ILE B 714 -16.324 -16.274 8.588 1.00 0.00 C ATOM 74 O ILE B 714 -15.262 -15.736 8.273 1.00 0.00 O ATOM 75 CB ILE B 714 -18.254 -16.400 7.001 1.00 0.00 C ATOM 76 CG1 ILE B 714 -18.862 -17.216 5.857 1.00 0.00 C ATOM 77 CG2 ILE B 714 -17.767 -15.052 6.458 1.00 0.00 C ATOM 78 CD1 ILE B 714 -20.202 -16.601 5.448 1.00 0.00 C ATOM 0 H ILE B 714 -18.567 -18.460 8.304 1.00 0.00 H new ATOM 0 HA ILE B 714 -16.389 -17.457 6.804 1.00 0.00 H new ATOM 0 HB ILE B 714 -19.007 -16.233 7.772 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -18.182 -17.231 5.005 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -19.005 -18.250 6.170 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -18.608 -14.507 6.030 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -17.332 -14.469 7.269 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -17.014 -15.220 5.688 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -20.635 -17.182 4.634 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -20.881 -16.609 6.300 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -20.045 -15.574 5.118 1.00 0.00 H new ATOM 90 N TRP B 715 -16.887 -16.121 9.782 1.00 0.00 N ATOM 91 CA TRP B 715 -16.269 -15.290 10.806 1.00 0.00 C ATOM 92 C TRP B 715 -14.888 -15.819 11.161 1.00 0.00 C ATOM 93 O TRP B 715 -13.933 -15.054 11.297 1.00 0.00 O ATOM 94 CB TRP B 715 -17.146 -15.262 12.058 1.00 0.00 C ATOM 95 CG TRP B 715 -16.526 -14.365 13.081 1.00 0.00 C ATOM 96 CD1 TRP B 715 -15.974 -14.779 14.245 1.00 0.00 C ATOM 97 CD2 TRP B 715 -16.382 -12.915 13.051 1.00 0.00 C ATOM 98 NE1 TRP B 715 -15.502 -13.675 14.932 1.00 0.00 N ATOM 99 CE2 TRP B 715 -15.730 -12.504 14.239 1.00 0.00 C ATOM 100 CE3 TRP B 715 -16.751 -11.927 12.120 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -15.454 -11.160 14.493 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -16.474 -10.573 12.373 1.00 0.00 C ATOM 103 CH2 TRP B 715 -15.827 -10.191 13.558 1.00 0.00 C ATOM 0 H TRP B 715 -17.765 -16.559 10.062 1.00 0.00 H new ATOM 0 HA TRP B 715 -16.168 -14.278 10.413 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -18.146 -14.908 11.807 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -17.256 -16.269 12.461 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -15.912 -15.803 14.582 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -15.041 -13.721 15.841 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -17.250 -12.211 11.205 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -14.955 -10.871 15.406 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -16.761 -9.822 11.651 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -15.617 -9.149 13.747 1.00 0.00 H new ATOM 114 N LYS B 716 -14.788 -17.131 11.308 1.00 0.00 N ATOM 115 CA LYS B 716 -13.519 -17.748 11.649 1.00 0.00 C ATOM 116 C LYS B 716 -12.481 -17.458 10.578 1.00 0.00 C ATOM 117 O LYS B 716 -11.299 -17.287 10.874 1.00 0.00 O ATOM 118 CB LYS B 716 -13.698 -19.262 11.807 1.00 0.00 C ATOM 119 CG LYS B 716 -12.366 -19.917 12.263 1.00 0.00 C ATOM 120 CD LYS B 716 -11.678 -20.587 11.070 1.00 0.00 C ATOM 121 CE LYS B 716 -10.357 -21.195 11.523 1.00 0.00 C ATOM 122 NZ LYS B 716 -9.708 -21.870 10.367 1.00 0.00 N ATOM 0 H LYS B 716 -15.564 -17.783 11.197 1.00 0.00 H new ATOM 0 HA LYS B 716 -13.172 -17.328 12.593 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -14.481 -19.468 12.537 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -14.020 -19.698 10.861 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -11.709 -19.162 12.696 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -12.561 -20.654 13.042 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -12.322 -21.360 10.652 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -11.503 -19.857 10.280 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -9.703 -20.419 11.921 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -10.529 -21.910 12.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -8.805 -22.287 10.671 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -10.332 -22.620 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -9.532 -21.175 9.613 1.00 0.00 H new ATOM 136 N LEU B 717 -12.923 -17.419 9.332 1.00 0.00 N ATOM 137 CA LEU B 717 -12.014 -17.167 8.229 1.00 0.00 C ATOM 138 C LEU B 717 -11.392 -15.778 8.360 1.00 0.00 C ATOM 139 O LEU B 717 -10.205 -15.585 8.103 1.00 0.00 O ATOM 140 CB LEU B 717 -12.772 -17.285 6.890 1.00 0.00 C ATOM 141 CG LEU B 717 -11.832 -17.826 5.796 1.00 0.00 C ATOM 142 CD1 LEU B 717 -10.582 -16.930 5.697 1.00 0.00 C ATOM 143 CD2 LEU B 717 -11.418 -19.288 6.131 1.00 0.00 C ATOM 0 H LEU B 717 -13.897 -17.557 9.061 1.00 0.00 H new ATOM 0 HA LEU B 717 -11.215 -17.908 8.254 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -13.629 -17.949 7.005 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -13.161 -16.310 6.596 1.00 0.00 H new ATOM 0 HG LEU B 717 -12.352 -17.818 4.838 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -9.919 -17.315 4.922 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -10.882 -15.913 5.445 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -10.059 -16.927 6.654 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -10.753 -19.665 5.354 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -10.902 -19.309 7.091 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -12.308 -19.915 6.183 1.00 0.00 H new ATOM 155 N LEU B 718 -12.207 -14.815 8.751 1.00 0.00 N ATOM 156 CA LEU B 718 -11.736 -13.448 8.895 1.00 0.00 C ATOM 157 C LEU B 718 -10.624 -13.382 9.929 1.00 0.00 C ATOM 158 O LEU B 718 -9.638 -12.669 9.748 1.00 0.00 O ATOM 159 CB LEU B 718 -12.893 -12.545 9.321 1.00 0.00 C ATOM 160 CG LEU B 718 -13.926 -12.458 8.187 1.00 0.00 C ATOM 161 CD1 LEU B 718 -15.176 -11.731 8.694 1.00 0.00 C ATOM 162 CD2 LEU B 718 -13.338 -11.702 6.974 1.00 0.00 C ATOM 0 H LEU B 718 -13.193 -14.952 8.974 1.00 0.00 H new ATOM 0 HA LEU B 718 -11.346 -13.106 7.936 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -13.361 -12.939 10.223 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -12.520 -11.550 9.564 1.00 0.00 H new ATOM 0 HG LEU B 718 -14.190 -13.467 7.871 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -15.911 -11.668 7.891 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -15.602 -12.281 9.533 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -14.906 -10.726 9.019 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -14.084 -11.650 6.181 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -13.058 -10.693 7.275 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -12.456 -12.229 6.609 1.00 0.00 H new ATOM 174 N ILE B 719 -10.788 -14.128 11.013 1.00 0.00 N ATOM 175 CA ILE B 719 -9.787 -14.145 12.071 1.00 0.00 C ATOM 176 C ILE B 719 -8.462 -14.689 11.544 1.00 0.00 C ATOM 177 O ILE B 719 -7.397 -14.148 11.839 1.00 0.00 O ATOM 178 CB ILE B 719 -10.270 -15.014 13.233 1.00 0.00 C ATOM 179 CG1 ILE B 719 -11.634 -14.509 13.710 1.00 0.00 C ATOM 180 CG2 ILE B 719 -9.267 -14.933 14.387 1.00 0.00 C ATOM 181 CD1 ILE B 719 -12.190 -15.458 14.773 1.00 0.00 C ATOM 0 H ILE B 719 -11.598 -14.725 11.182 1.00 0.00 H new ATOM 0 HA ILE B 719 -9.636 -13.123 12.420 1.00 0.00 H new ATOM 0 HB ILE B 719 -10.357 -16.048 12.901 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -11.538 -13.504 14.120 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -12.324 -14.445 12.869 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -9.613 -15.553 15.214 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -8.294 -15.289 14.049 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -9.179 -13.899 14.721 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -13.161 -15.097 15.111 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -12.302 -16.455 14.348 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -11.504 -15.499 15.619 1.00 0.00 H new ATOM 193 N THR B 720 -8.536 -15.763 10.765 1.00 0.00 N ATOM 194 CA THR B 720 -7.335 -16.374 10.206 1.00 0.00 C ATOM 195 C THR B 720 -6.595 -15.380 9.317 1.00 0.00 C ATOM 196 O THR B 720 -5.368 -15.278 9.370 1.00 0.00 O ATOM 197 CB THR B 720 -7.710 -17.614 9.390 1.00 0.00 C ATOM 198 OG1 THR B 720 -8.589 -18.430 10.151 1.00 0.00 O ATOM 199 CG2 THR B 720 -6.446 -18.404 9.048 1.00 0.00 C ATOM 0 H THR B 720 -9.408 -16.226 10.508 1.00 0.00 H new ATOM 0 HA THR B 720 -6.681 -16.666 11.028 1.00 0.00 H new ATOM 0 HB THR B 720 -8.204 -17.307 8.468 1.00 0.00 H new ATOM 0 HG1 THR B 720 -8.832 -19.224 9.630 1.00 0.00 H new ATOM 0 HG21 THR B 720 -6.714 -19.286 8.467 1.00 0.00 H new ATOM 0 HG22 THR B 720 -5.772 -17.777 8.465 1.00 0.00 H new ATOM 0 HG23 THR B 720 -5.950 -18.713 9.968 1.00 0.00 H new ATOM 207 N ILE B 721 -7.347 -14.651 8.500 1.00 0.00 N ATOM 208 CA ILE B 721 -6.751 -13.667 7.601 1.00 0.00 C ATOM 209 C ILE B 721 -6.061 -12.563 8.401 1.00 0.00 C ATOM 210 O ILE B 721 -4.955 -12.140 8.066 1.00 0.00 O ATOM 211 CB ILE B 721 -7.832 -13.058 6.704 1.00 0.00 C ATOM 212 CG1 ILE B 721 -8.362 -14.131 5.750 1.00 0.00 C ATOM 213 CG2 ILE B 721 -7.233 -11.904 5.889 1.00 0.00 C ATOM 214 CD1 ILE B 721 -9.621 -13.616 5.052 1.00 0.00 C ATOM 0 H ILE B 721 -8.363 -14.721 8.441 1.00 0.00 H new ATOM 0 HA ILE B 721 -6.008 -14.168 6.980 1.00 0.00 H new ATOM 0 HB ILE B 721 -8.647 -12.681 7.322 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -7.601 -14.384 5.011 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -8.587 -15.044 6.301 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -8.003 -11.471 5.251 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -6.851 -11.140 6.566 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -6.418 -12.280 5.270 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -9.999 -14.380 4.372 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -10.382 -13.385 5.798 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -9.381 -12.715 4.488 1.00 0.00 H new ATOM 226 N HIS B 722 -6.725 -12.101 9.455 1.00 0.00 N ATOM 227 CA HIS B 722 -6.168 -11.047 10.295 1.00 0.00 C ATOM 228 C HIS B 722 -4.849 -11.496 10.916 1.00 0.00 C ATOM 229 O HIS B 722 -3.933 -10.693 11.099 1.00 0.00 O ATOM 230 CB HIS B 722 -7.159 -10.681 11.400 1.00 0.00 C ATOM 231 CG HIS B 722 -6.566 -9.604 12.269 1.00 0.00 C ATOM 232 ND1 HIS B 722 -6.521 -8.276 11.877 1.00 0.00 N ATOM 233 CD2 HIS B 722 -5.986 -9.650 13.513 1.00 0.00 C ATOM 234 CE1 HIS B 722 -5.933 -7.581 12.869 1.00 0.00 C ATOM 235 NE2 HIS B 722 -5.588 -8.371 13.889 1.00 0.00 N ATOM 0 H HIS B 722 -7.643 -12.437 9.747 1.00 0.00 H new ATOM 0 HA HIS B 722 -5.982 -10.172 9.672 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -8.096 -10.336 10.963 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -7.392 -11.560 12.000 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -5.858 -10.542 14.108 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -5.761 -6.515 12.843 1.00 0.00 H new ATOM 0 HE2 HIS B 722 -5.130 -8.096 14.758 1.00 0.00 H new ATOM 244 N ASP B 723 -4.762 -12.780 11.243 1.00 0.00 N ATOM 245 CA ASP B 723 -3.553 -13.324 11.848 1.00 0.00 C ATOM 246 C ASP B 723 -2.412 -13.346 10.833 1.00 0.00 C ATOM 247 O ASP B 723 -1.252 -13.136 11.187 1.00 0.00 O ATOM 248 CB ASP B 723 -3.814 -14.744 12.353 1.00 0.00 C ATOM 249 CG ASP B 723 -2.595 -15.261 13.109 1.00 0.00 C ATOM 250 OD1 ASP B 723 -1.586 -14.576 13.104 1.00 0.00 O ATOM 251 OD2 ASP B 723 -2.689 -16.335 13.682 1.00 0.00 O ATOM 0 H ASP B 723 -5.509 -13.460 11.100 1.00 0.00 H new ATOM 0 HA ASP B 723 -3.270 -12.687 12.686 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -4.687 -14.752 13.005 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -4.037 -15.402 11.513 1.00 0.00 H new ATOM 256 N ARG B 724 -2.752 -13.601 9.574 1.00 0.00 N ATOM 257 CA ARG B 724 -1.746 -13.645 8.518 1.00 0.00 C ATOM 258 C ARG B 724 -1.318 -12.235 8.127 1.00 0.00 C ATOM 259 O ARG B 724 -2.015 -11.545 7.384 1.00 0.00 O ATOM 260 CB ARG B 724 -2.306 -14.368 7.294 1.00 0.00 C ATOM 261 CG ARG B 724 -2.435 -15.861 7.594 1.00 0.00 C ATOM 262 CD ARG B 724 -3.030 -16.577 6.380 1.00 0.00 C ATOM 263 NE ARG B 724 -3.159 -18.005 6.651 1.00 0.00 N ATOM 264 CZ ARG B 724 -2.136 -18.836 6.466 1.00 0.00 C ATOM 265 NH1 ARG B 724 -0.993 -18.375 6.038 1.00 0.00 N ATOM 266 NH2 ARG B 724 -2.276 -20.109 6.715 1.00 0.00 N ATOM 0 H ARG B 724 -3.707 -13.779 9.261 1.00 0.00 H new ATOM 0 HA ARG B 724 -0.877 -14.185 8.892 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -3.279 -13.955 7.029 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -1.650 -14.214 6.437 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -1.458 -16.280 7.834 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -3.070 -16.014 8.467 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -4.006 -16.155 6.142 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -2.394 -16.421 5.509 1.00 0.00 H new ATOM 0 HE ARG B 724 -4.049 -18.373 6.988 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -0.884 -17.379 5.846 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -0.208 -19.010 5.896 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -3.170 -20.468 7.052 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -1.492 -20.746 6.573 1.00 0.00 H new ATOM 280 N LYS B 725 -0.165 -11.813 8.632 1.00 0.00 N ATOM 281 CA LYS B 725 0.352 -10.484 8.330 1.00 0.00 C ATOM 282 C LYS B 725 0.654 -10.346 6.841 1.00 0.00 C ATOM 283 O LYS B 725 0.527 -9.264 6.268 1.00 0.00 O ATOM 284 CB LYS B 725 1.623 -10.215 9.144 1.00 0.00 C ATOM 285 CG LYS B 725 1.893 -8.709 9.199 1.00 0.00 C ATOM 286 CD LYS B 725 3.091 -8.435 10.107 1.00 0.00 C ATOM 287 CE LYS B 725 3.387 -6.934 10.122 1.00 0.00 C ATOM 288 NZ LYS B 725 2.375 -6.237 10.966 1.00 0.00 N ATOM 0 H LYS B 725 0.427 -12.369 9.249 1.00 0.00 H new ATOM 0 HA LYS B 725 -0.410 -9.752 8.600 1.00 0.00 H new ATOM 0 HB2 LYS B 725 1.510 -10.611 10.153 1.00 0.00 H new ATOM 0 HB3 LYS B 725 2.471 -10.730 8.693 1.00 0.00 H new ATOM 0 HG2 LYS B 725 2.089 -8.328 8.197 1.00 0.00 H new ATOM 0 HG3 LYS B 725 1.013 -8.185 9.573 1.00 0.00 H new ATOM 0 HD2 LYS B 725 2.882 -8.785 11.118 1.00 0.00 H new ATOM 0 HD3 LYS B 725 3.963 -8.985 9.753 1.00 0.00 H new ATOM 0 HE2 LYS B 725 4.388 -6.754 10.513 1.00 0.00 H new ATOM 0 HE3 LYS B 725 3.365 -6.538 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 2.651 -5.242 11.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 1.445 -6.284 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 2.322 -6.698 11.897 1.00 0.00 H new ATOM 302 N GLU B 726 1.064 -11.447 6.226 1.00 0.00 N ATOM 303 CA GLU B 726 1.396 -11.439 4.807 1.00 0.00 C ATOM 304 C GLU B 726 0.200 -10.981 3.983 1.00 0.00 C ATOM 305 O GLU B 726 0.354 -10.270 2.992 1.00 0.00 O ATOM 306 CB GLU B 726 1.818 -12.844 4.361 1.00 0.00 C ATOM 307 CG GLU B 726 3.063 -13.286 5.150 1.00 0.00 C ATOM 308 CD GLU B 726 2.658 -13.858 6.509 1.00 0.00 C ATOM 309 OE1 GLU B 726 1.481 -13.817 6.824 1.00 0.00 O ATOM 310 OE2 GLU B 726 3.534 -14.341 7.210 1.00 0.00 O ATOM 0 H GLU B 726 1.174 -12.352 6.683 1.00 0.00 H new ATOM 0 HA GLU B 726 2.221 -10.745 4.649 1.00 0.00 H new ATOM 0 HB2 GLU B 726 1.003 -13.548 4.525 1.00 0.00 H new ATOM 0 HB3 GLU B 726 2.032 -12.848 3.292 1.00 0.00 H new ATOM 0 HG2 GLU B 726 3.614 -14.036 4.582 1.00 0.00 H new ATOM 0 HG3 GLU B 726 3.732 -12.437 5.290 1.00 0.00 H new ATOM 317 N PHE B 727 -0.994 -11.385 4.400 1.00 0.00 N ATOM 318 CA PHE B 727 -2.206 -11.001 3.697 1.00 0.00 C ATOM 319 C PHE B 727 -2.392 -9.488 3.743 1.00 0.00 C ATOM 320 O PHE B 727 -2.786 -8.873 2.754 1.00 0.00 O ATOM 321 CB PHE B 727 -3.418 -11.702 4.336 1.00 0.00 C ATOM 322 CG PHE B 727 -3.589 -13.083 3.740 1.00 0.00 C ATOM 323 CD1 PHE B 727 -2.520 -13.987 3.752 1.00 0.00 C ATOM 324 CD2 PHE B 727 -4.814 -13.457 3.169 1.00 0.00 C ATOM 325 CE1 PHE B 727 -2.673 -15.260 3.195 1.00 0.00 C ATOM 326 CE2 PHE B 727 -4.966 -14.730 2.612 1.00 0.00 C ATOM 327 CZ PHE B 727 -3.896 -15.632 2.627 1.00 0.00 C ATOM 0 H PHE B 727 -1.146 -11.976 5.218 1.00 0.00 H new ATOM 0 HA PHE B 727 -2.122 -11.307 2.654 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -3.279 -11.777 5.414 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -4.319 -11.111 4.171 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -1.576 -13.701 4.192 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -5.640 -12.761 3.160 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -1.847 -15.956 3.203 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -5.909 -15.017 2.170 1.00 0.00 H new ATOM 0 HZ PHE B 727 -4.015 -16.617 2.199 1.00 0.00 H new ATOM 337 N ALA B 728 -2.114 -8.898 4.899 1.00 0.00 N ATOM 338 CA ALA B 728 -2.262 -7.460 5.064 1.00 0.00 C ATOM 339 C ALA B 728 -1.333 -6.716 4.115 1.00 0.00 C ATOM 340 O ALA B 728 -1.700 -5.677 3.569 1.00 0.00 O ATOM 341 CB ALA B 728 -1.945 -7.064 6.506 1.00 0.00 C ATOM 0 H ALA B 728 -1.787 -9.390 5.730 1.00 0.00 H new ATOM 0 HA ALA B 728 -3.292 -7.190 4.833 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -2.058 -5.986 6.621 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -2.630 -7.575 7.183 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -0.920 -7.348 6.745 1.00 0.00 H new ATOM 347 N LYS B 729 -0.133 -7.258 3.919 1.00 0.00 N ATOM 348 CA LYS B 729 0.840 -6.634 3.027 1.00 0.00 C ATOM 349 C LYS B 729 0.293 -6.563 1.604 1.00 0.00 C ATOM 350 O LYS B 729 0.475 -5.565 0.909 1.00 0.00 O ATOM 351 CB LYS B 729 2.146 -7.431 3.039 1.00 0.00 C ATOM 352 CG LYS B 729 2.846 -7.251 4.387 1.00 0.00 C ATOM 353 CD LYS B 729 4.159 -8.037 4.390 1.00 0.00 C ATOM 354 CE LYS B 729 4.906 -7.779 5.700 1.00 0.00 C ATOM 355 NZ LYS B 729 4.084 -8.265 6.843 1.00 0.00 N ATOM 0 H LYS B 729 0.186 -8.120 4.361 1.00 0.00 H new ATOM 0 HA LYS B 729 1.032 -5.621 3.379 1.00 0.00 H new ATOM 0 HB2 LYS B 729 1.941 -8.487 2.863 1.00 0.00 H new ATOM 0 HB3 LYS B 729 2.797 -7.094 2.232 1.00 0.00 H new ATOM 0 HG2 LYS B 729 3.042 -6.194 4.569 1.00 0.00 H new ATOM 0 HG3 LYS B 729 2.200 -7.598 5.193 1.00 0.00 H new ATOM 0 HD2 LYS B 729 3.958 -9.102 4.278 1.00 0.00 H new ATOM 0 HD3 LYS B 729 4.776 -7.738 3.542 1.00 0.00 H new ATOM 0 HE2 LYS B 729 5.870 -8.288 5.688 1.00 0.00 H new ATOM 0 HE3 LYS B 729 5.110 -6.714 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 4.707 -8.663 7.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 3.543 -7.472 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 3.427 -9.000 6.511 1.00 0.00 H new ATOM 369 N PHE B 730 -0.377 -7.627 1.176 1.00 0.00 N ATOM 370 CA PHE B 730 -0.956 -7.670 -0.156 1.00 0.00 C ATOM 371 C PHE B 730 -2.094 -6.660 -0.283 1.00 0.00 C ATOM 372 O PHE B 730 -2.232 -5.994 -1.309 1.00 0.00 O ATOM 373 CB PHE B 730 -1.476 -9.073 -0.455 1.00 0.00 C ATOM 374 CG PHE B 730 -2.127 -9.088 -1.818 1.00 0.00 C ATOM 375 CD1 PHE B 730 -1.335 -9.115 -2.972 1.00 0.00 C ATOM 376 CD2 PHE B 730 -3.521 -9.072 -1.927 1.00 0.00 C ATOM 377 CE1 PHE B 730 -1.939 -9.128 -4.234 1.00 0.00 C ATOM 378 CE2 PHE B 730 -4.125 -9.084 -3.187 1.00 0.00 C ATOM 379 CZ PHE B 730 -3.335 -9.112 -4.342 1.00 0.00 C ATOM 0 H PHE B 730 -0.531 -8.468 1.732 1.00 0.00 H new ATOM 0 HA PHE B 730 -0.179 -7.412 -0.876 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -0.656 -9.791 -0.424 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -2.194 -9.376 0.307 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -0.258 -9.126 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -4.131 -9.050 -1.036 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -1.329 -9.150 -5.125 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -5.202 -9.072 -3.270 1.00 0.00 H new ATOM 0 HZ PHE B 730 -3.802 -9.121 -5.316 1.00 0.00 H new ATOM 389 N GLU B 731 -2.917 -6.566 0.760 1.00 0.00 N ATOM 390 CA GLU B 731 -4.051 -5.649 0.742 1.00 0.00 C ATOM 391 C GLU B 731 -3.586 -4.215 0.503 1.00 0.00 C ATOM 392 O GLU B 731 -4.120 -3.517 -0.366 1.00 0.00 O ATOM 393 CB GLU B 731 -4.796 -5.726 2.079 1.00 0.00 C ATOM 394 CG GLU B 731 -5.516 -7.070 2.192 1.00 0.00 C ATOM 395 CD GLU B 731 -6.187 -7.189 3.557 1.00 0.00 C ATOM 396 OE1 GLU B 731 -6.078 -6.251 4.331 1.00 0.00 O ATOM 397 OE2 GLU B 731 -6.799 -8.213 3.808 1.00 0.00 O ATOM 0 H GLU B 731 -2.820 -7.108 1.619 1.00 0.00 H new ATOM 0 HA GLU B 731 -4.716 -5.940 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -4.094 -5.608 2.905 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -5.515 -4.910 2.153 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -6.262 -7.160 1.402 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -4.806 -7.885 2.054 1.00 0.00 H new ATOM 404 N GLU B 732 -2.588 -3.784 1.266 1.00 0.00 N ATOM 405 CA GLU B 732 -2.061 -2.433 1.119 1.00 0.00 C ATOM 406 C GLU B 732 -1.320 -2.283 -0.203 1.00 0.00 C ATOM 407 O GLU B 732 -1.388 -1.239 -0.852 1.00 0.00 O ATOM 408 CB GLU B 732 -1.138 -2.093 2.286 1.00 0.00 C ATOM 409 CG GLU B 732 -0.024 -3.108 2.335 1.00 0.00 C ATOM 410 CD GLU B 732 0.885 -2.844 3.531 1.00 0.00 C ATOM 411 OE1 GLU B 732 0.368 -2.472 4.573 1.00 0.00 O ATOM 412 OE2 GLU B 732 2.084 -3.025 3.392 1.00 0.00 O ATOM 0 H GLU B 732 -2.131 -4.344 1.986 1.00 0.00 H new ATOM 0 HA GLU B 732 -2.900 -1.737 1.122 1.00 0.00 H new ATOM 0 HB2 GLU B 732 -0.730 -1.090 2.164 1.00 0.00 H new ATOM 0 HB3 GLU B 732 -1.696 -2.099 3.223 1.00 0.00 H new ATOM 0 HG2 GLU B 732 -0.442 -4.113 2.403 1.00 0.00 H new ATOM 0 HG3 GLU B 732 0.556 -3.065 1.413 1.00 0.00 H new ATOM 419 N GLU B 733 -0.614 -3.335 -0.597 1.00 0.00 N ATOM 420 CA GLU B 733 0.137 -3.311 -1.840 1.00 0.00 C ATOM 421 C GLU B 733 -0.804 -3.236 -3.035 1.00 0.00 C ATOM 422 O GLU B 733 -0.511 -2.567 -4.025 1.00 0.00 O ATOM 423 CB GLU B 733 1.012 -4.566 -1.944 1.00 0.00 C ATOM 424 CG GLU B 733 2.030 -4.404 -3.078 1.00 0.00 C ATOM 425 CD GLU B 733 1.334 -4.539 -4.427 1.00 0.00 C ATOM 426 OE1 GLU B 733 0.350 -5.257 -4.495 1.00 0.00 O ATOM 427 OE2 GLU B 733 1.792 -3.919 -5.373 1.00 0.00 O ATOM 0 H GLU B 733 -0.547 -4.209 -0.076 1.00 0.00 H new ATOM 0 HA GLU B 733 0.773 -2.426 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU B 733 1.531 -4.737 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU B 733 0.387 -5.440 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU B 733 2.515 -3.431 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU B 733 2.812 -5.158 -2.986 1.00 0.00 H new ATOM 434 N ARG B 734 -1.934 -3.927 -2.934 1.00 0.00 N ATOM 435 CA ARG B 734 -2.909 -3.932 -4.016 1.00 0.00 C ATOM 436 C ARG B 734 -3.418 -2.520 -4.277 1.00 0.00 C ATOM 437 O ARG B 734 -3.554 -2.100 -5.426 1.00 0.00 O ATOM 438 CB ARG B 734 -4.082 -4.845 -3.656 1.00 0.00 C ATOM 439 CG ARG B 734 -5.050 -4.923 -4.837 1.00 0.00 C ATOM 440 CD ARG B 734 -6.153 -5.937 -4.528 1.00 0.00 C ATOM 441 NE ARG B 734 -6.996 -6.138 -5.701 1.00 0.00 N ATOM 442 CZ ARG B 734 -7.999 -7.010 -5.685 1.00 0.00 C ATOM 443 NH1 ARG B 734 -8.241 -7.706 -4.608 1.00 0.00 N ATOM 444 NH2 ARG B 734 -8.741 -7.171 -6.747 1.00 0.00 N ATOM 0 H ARG B 734 -2.195 -4.486 -2.122 1.00 0.00 H new ATOM 0 HA ARG B 734 -2.426 -4.305 -4.919 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -3.717 -5.841 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG B 734 -4.597 -4.462 -2.775 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -5.486 -3.943 -5.028 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -4.515 -5.216 -5.740 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -5.710 -6.885 -4.223 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -6.758 -5.584 -3.693 1.00 0.00 H new ATOM 0 HE ARG B 734 -6.813 -5.600 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -7.661 -7.581 -3.779 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -9.011 -8.375 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -8.551 -6.628 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -9.511 -7.840 -6.735 1.00 0.00 H new ATOM 458 N ALA B 735 -3.694 -1.793 -3.201 1.00 0.00 N ATOM 459 CA ALA B 735 -4.185 -0.425 -3.324 1.00 0.00 C ATOM 460 C ALA B 735 -3.177 0.439 -4.075 1.00 0.00 C ATOM 461 O ALA B 735 -3.555 1.277 -4.894 1.00 0.00 O ATOM 462 CB ALA B 735 -4.435 0.171 -1.936 1.00 0.00 C ATOM 0 H ALA B 735 -3.588 -2.123 -2.242 1.00 0.00 H new ATOM 0 HA ALA B 735 -5.121 -0.445 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA B 735 -4.801 1.192 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA B 735 -5.178 -0.429 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA B 735 -3.504 0.175 -1.369 1.00 0.00 H new ATOM 468 N ARG B 736 -1.893 0.228 -3.796 1.00 0.00 N ATOM 469 CA ARG B 736 -0.846 0.988 -4.454 1.00 0.00 C ATOM 470 C ARG B 736 -0.773 0.638 -5.935 1.00 0.00 C ATOM 471 O ARG B 736 -0.198 1.376 -6.731 1.00 0.00 O ATOM 472 CB ARG B 736 0.498 0.696 -3.793 1.00 0.00 C ATOM 473 CG ARG B 736 0.542 1.347 -2.416 1.00 0.00 C ATOM 474 CD ARG B 736 1.912 1.103 -1.776 1.00 0.00 C ATOM 475 NE ARG B 736 1.979 1.742 -0.465 1.00 0.00 N ATOM 476 CZ ARG B 736 1.574 1.112 0.634 1.00 0.00 C ATOM 477 NH1 ARG B 736 1.103 -0.101 0.552 1.00 0.00 N ATOM 478 NH2 ARG B 736 1.645 1.707 1.793 1.00 0.00 N ATOM 0 H ARG B 736 -1.559 -0.460 -3.122 1.00 0.00 H new ATOM 0 HA ARG B 736 -1.079 2.049 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG B 736 0.644 -0.380 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG B 736 1.310 1.077 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG B 736 0.355 2.417 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG B 736 -0.245 0.936 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG B 736 2.089 0.032 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG B 736 2.698 1.497 -2.421 1.00 0.00 H new ATOM 0 HE ARG B 736 2.344 2.692 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG B 736 1.046 -0.566 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG B 736 0.792 -0.585 1.394 1.00 0.00 H new ATOM 0 HH21 ARG B 736 2.012 2.657 1.857 1.00 0.00 H new ATOM 0 HH22 ARG B 736 1.334 1.222 2.635 1.00 0.00 H new ATOM 598 N ASN B 744 3.341 6.905 -8.931 1.00 0.00 N ATOM 599 CA ASN B 744 4.037 7.181 -10.176 1.00 0.00 C ATOM 600 C ASN B 744 5.446 7.713 -9.901 1.00 0.00 C ATOM 601 O ASN B 744 5.670 8.414 -8.916 1.00 0.00 O ATOM 602 CB ASN B 744 3.265 8.208 -11.006 1.00 0.00 C ATOM 603 CG ASN B 744 2.010 7.567 -11.584 1.00 0.00 C ATOM 604 OD1 ASN B 744 1.284 8.202 -12.349 1.00 0.00 O ATOM 605 ND2 ASN B 744 1.714 6.337 -11.265 1.00 0.00 N ATOM 0 HA ASN B 744 4.109 6.247 -10.733 1.00 0.00 H new ATOM 0 HB2 ASN B 744 2.995 9.062 -10.385 1.00 0.00 H new ATOM 0 HB3 ASN B 744 3.895 8.586 -11.811 1.00 0.00 H new ATOM 0 HD21 ASN B 744 0.878 5.897 -11.650 1.00 0.00 H new ATOM 0 HD22 ASN B 744 2.319 5.815 -10.631 1.00 0.00 H new ATOM 612 N PRO B 745 6.395 7.383 -10.739 1.00 0.00 N ATOM 613 CA PRO B 745 7.810 7.834 -10.573 1.00 0.00 C ATOM 614 C PRO B 745 7.974 9.338 -10.751 1.00 0.00 C ATOM 615 O PRO B 745 8.920 9.938 -10.243 1.00 0.00 O ATOM 616 CB PRO B 745 8.566 7.051 -11.661 1.00 0.00 C ATOM 617 CG PRO B 745 7.540 6.720 -12.697 1.00 0.00 C ATOM 618 CD PRO B 745 6.224 6.554 -11.944 1.00 0.00 C ATOM 0 HA PRO B 745 8.184 7.644 -9.567 1.00 0.00 H new ATOM 0 HB2 PRO B 745 9.374 7.648 -12.085 1.00 0.00 H new ATOM 0 HB3 PRO B 745 9.018 6.147 -11.252 1.00 0.00 H new ATOM 0 HG2 PRO B 745 7.467 7.513 -13.441 1.00 0.00 H new ATOM 0 HG3 PRO B 745 7.803 5.806 -13.229 1.00 0.00 H new ATOM 0 HD2 PRO B 745 5.377 6.890 -12.542 1.00 0.00 H new ATOM 0 HD3 PRO B 745 6.040 5.511 -11.688 1.00 0.00 H new ATOM 626 N LEU B 746 7.046 9.931 -11.470 1.00 0.00 N ATOM 627 CA LEU B 746 7.084 11.362 -11.718 1.00 0.00 C ATOM 628 C LEU B 746 6.979 12.129 -10.410 1.00 0.00 C ATOM 629 O LEU B 746 7.583 13.188 -10.253 1.00 0.00 O ATOM 630 CB LEU B 746 5.937 11.764 -12.647 1.00 0.00 C ATOM 631 CG LEU B 746 6.157 11.155 -14.040 1.00 0.00 C ATOM 632 CD1 LEU B 746 4.900 11.365 -14.890 1.00 0.00 C ATOM 633 CD2 LEU B 746 7.369 11.813 -14.738 1.00 0.00 C ATOM 0 H LEU B 746 6.255 9.447 -11.895 1.00 0.00 H new ATOM 0 HA LEU B 746 8.033 11.606 -12.194 1.00 0.00 H new ATOM 0 HB2 LEU B 746 4.987 11.421 -12.236 1.00 0.00 H new ATOM 0 HB3 LEU B 746 5.880 12.850 -12.720 1.00 0.00 H new ATOM 0 HG LEU B 746 6.357 10.089 -13.929 1.00 0.00 H new ATOM 0 HD11 LEU B 746 5.053 10.934 -15.879 1.00 0.00 H new ATOM 0 HD12 LEU B 746 4.051 10.879 -14.410 1.00 0.00 H new ATOM 0 HD13 LEU B 746 4.700 12.432 -14.987 1.00 0.00 H new ATOM 0 HD21 LEU B 746 7.508 11.367 -15.723 1.00 0.00 H new ATOM 0 HD22 LEU B 746 7.190 12.883 -14.846 1.00 0.00 H new ATOM 0 HD23 LEU B 746 8.265 11.653 -14.138 1.00 0.00 H new ATOM 645 N TYR B 747 6.205 11.591 -9.480 1.00 0.00 N ATOM 646 CA TYR B 747 6.023 12.244 -8.190 1.00 0.00 C ATOM 647 C TYR B 747 7.355 12.370 -7.459 1.00 0.00 C ATOM 648 O TYR B 747 7.688 13.429 -6.928 1.00 0.00 O ATOM 649 CB TYR B 747 5.048 11.435 -7.337 1.00 0.00 C ATOM 650 CG TYR B 747 4.915 12.075 -5.975 1.00 0.00 C ATOM 651 CD1 TYR B 747 4.132 13.224 -5.814 1.00 0.00 C ATOM 652 CD2 TYR B 747 5.575 11.521 -4.871 1.00 0.00 C ATOM 653 CE1 TYR B 747 4.009 13.820 -4.553 1.00 0.00 C ATOM 654 CE2 TYR B 747 5.452 12.115 -3.610 1.00 0.00 C ATOM 655 CZ TYR B 747 4.670 13.265 -3.451 1.00 0.00 C ATOM 656 OH TYR B 747 4.551 13.852 -2.208 1.00 0.00 O ATOM 0 H TYR B 747 5.697 10.713 -9.591 1.00 0.00 H new ATOM 0 HA TYR B 747 5.621 13.243 -8.360 1.00 0.00 H new ATOM 0 HB2 TYR B 747 4.074 11.389 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR B 747 5.403 10.409 -7.235 1.00 0.00 H new ATOM 0 HD1 TYR B 747 3.622 13.652 -6.664 1.00 0.00 H new ATOM 0 HD2 TYR B 747 6.180 10.634 -4.993 1.00 0.00 H new ATOM 0 HE1 TYR B 747 3.405 14.707 -4.431 1.00 0.00 H new ATOM 0 HE2 TYR B 747 5.961 11.686 -2.759 1.00 0.00 H new ATOM 0 HH TYR B 747 5.072 13.341 -1.554 1.00 0.00 H new ATOM 666 N LYS B 748 8.107 11.282 -7.438 1.00 0.00 N ATOM 667 CA LYS B 748 9.407 11.273 -6.768 1.00 0.00 C ATOM 668 C LYS B 748 10.370 12.227 -7.466 1.00 0.00 C ATOM 669 O LYS B 748 11.115 12.963 -6.818 1.00 0.00 O ATOM 670 CB LYS B 748 9.996 9.860 -6.773 1.00 0.00 C ATOM 671 CG LYS B 748 9.096 8.937 -5.956 1.00 0.00 C ATOM 672 CD LYS B 748 9.676 7.519 -5.956 1.00 0.00 C ATOM 673 CE LYS B 748 8.781 6.595 -5.127 1.00 0.00 C ATOM 674 NZ LYS B 748 9.361 5.222 -5.114 1.00 0.00 N ATOM 0 H LYS B 748 7.847 10.397 -7.873 1.00 0.00 H new ATOM 0 HA LYS B 748 9.264 11.599 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS B 748 10.081 9.492 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS B 748 11.002 9.871 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS B 748 9.012 9.306 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS B 748 8.090 8.929 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS B 748 9.752 7.147 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS B 748 10.685 7.529 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS B 748 8.693 6.974 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS B 748 7.775 6.573 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 8.753 4.594 -4.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 9.423 4.862 -6.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 10.312 5.251 -4.694 1.00 0.00 H new ATOM 688 N GLU B 749 10.350 12.204 -8.792 1.00 0.00 N ATOM 689 CA GLU B 749 11.230 13.069 -9.575 1.00 0.00 C ATOM 690 C GLU B 749 10.903 14.535 -9.317 1.00 0.00 C ATOM 691 O GLU B 749 11.794 15.383 -9.253 1.00 0.00 O ATOM 692 CB GLU B 749 11.081 12.761 -11.068 1.00 0.00 C ATOM 693 CG GLU B 749 12.092 13.591 -11.866 1.00 0.00 C ATOM 694 CD GLU B 749 12.006 13.233 -13.346 1.00 0.00 C ATOM 695 OE1 GLU B 749 11.047 12.578 -13.723 1.00 0.00 O ATOM 696 OE2 GLU B 749 12.900 13.618 -14.081 1.00 0.00 O ATOM 0 H GLU B 749 9.741 11.602 -9.346 1.00 0.00 H new ATOM 0 HA GLU B 749 12.259 12.879 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU B 749 11.244 11.698 -11.249 1.00 0.00 H new ATOM 0 HB3 GLU B 749 10.067 12.989 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU B 749 11.893 14.654 -11.728 1.00 0.00 H new ATOM 0 HG3 GLU B 749 13.100 13.405 -11.496 1.00 0.00 H new ATOM 703 N ALA B 750 9.620 14.824 -9.165 1.00 0.00 N ATOM 704 CA ALA B 750 9.175 16.190 -8.906 1.00 0.00 C ATOM 705 C ALA B 750 9.665 16.662 -7.540 1.00 0.00 C ATOM 706 O ALA B 750 10.008 17.831 -7.361 1.00 0.00 O ATOM 707 CB ALA B 750 7.648 16.270 -8.959 1.00 0.00 C ATOM 0 H ALA B 750 8.869 14.136 -9.216 1.00 0.00 H new ATOM 0 HA ALA B 750 9.595 16.837 -9.676 1.00 0.00 H new ATOM 0 HB1 ALA B 750 7.330 17.294 -8.764 1.00 0.00 H new ATOM 0 HB2 ALA B 750 7.302 15.964 -9.946 1.00 0.00 H new ATOM 0 HB3 ALA B 750 7.223 15.608 -8.204 1.00 0.00 H new ATOM 713 N THR B 751 9.692 15.743 -6.578 1.00 0.00 N ATOM 714 CA THR B 751 10.136 16.073 -5.228 1.00 0.00 C ATOM 715 C THR B 751 11.583 16.557 -5.246 1.00 0.00 C ATOM 716 O THR B 751 11.922 17.551 -4.605 1.00 0.00 O ATOM 717 CB THR B 751 10.019 14.846 -4.327 1.00 0.00 C ATOM 718 OG1 THR B 751 8.731 14.265 -4.483 1.00 0.00 O ATOM 719 CG2 THR B 751 10.217 15.259 -2.870 1.00 0.00 C ATOM 0 H THR B 751 9.413 14.770 -6.707 1.00 0.00 H new ATOM 0 HA THR B 751 9.502 16.870 -4.840 1.00 0.00 H new ATOM 0 HB THR B 751 10.783 14.120 -4.604 1.00 0.00 H new ATOM 0 HG1 THR B 751 8.641 13.908 -5.391 1.00 0.00 H new ATOM 0 HG21 THR B 751 10.133 14.382 -2.229 1.00 0.00 H new ATOM 0 HG22 THR B 751 11.205 15.704 -2.749 1.00 0.00 H new ATOM 0 HG23 THR B 751 9.455 15.987 -2.591 1.00 0.00 H new ATOM 727 N SER B 752 12.429 15.850 -5.987 1.00 0.00 N ATOM 728 CA SER B 752 13.839 16.218 -6.084 1.00 0.00 C ATOM 729 C SER B 752 13.988 17.632 -6.632 1.00 0.00 C ATOM 730 O SER B 752 14.908 18.360 -6.260 1.00 0.00 O ATOM 731 CB SER B 752 14.577 15.232 -6.990 1.00 0.00 C ATOM 732 OG SER B 752 14.713 13.988 -6.316 1.00 0.00 O ATOM 0 H SER B 752 12.167 15.025 -6.526 1.00 0.00 H new ATOM 0 HA SER B 752 14.273 16.183 -5.085 1.00 0.00 H new ATOM 0 HB2 SER B 752 14.029 15.096 -7.922 1.00 0.00 H new ATOM 0 HB3 SER B 752 15.559 15.626 -7.253 1.00 0.00 H new ATOM 0 HG SER B 752 15.184 13.352 -6.894 1.00 0.00 H new ATOM 738 N THR B 753 13.078 18.012 -7.515 1.00 0.00 N ATOM 739 CA THR B 753 13.111 19.342 -8.114 1.00 0.00 C ATOM 740 C THR B 753 12.928 20.414 -7.048 1.00 0.00 C ATOM 741 O THR B 753 13.554 21.468 -7.102 1.00 0.00 O ATOM 742 CB THR B 753 12.014 19.474 -9.173 1.00 0.00 C ATOM 743 OG1 THR B 753 12.033 18.331 -10.016 1.00 0.00 O ATOM 744 CG2 THR B 753 12.259 20.732 -10.010 1.00 0.00 C ATOM 0 H THR B 753 12.309 17.423 -7.834 1.00 0.00 H new ATOM 0 HA THR B 753 14.083 19.479 -8.587 1.00 0.00 H new ATOM 0 HB THR B 753 11.043 19.549 -8.684 1.00 0.00 H new ATOM 0 HG1 THR B 753 11.330 18.413 -10.694 1.00 0.00 H new ATOM 0 HG21 THR B 753 11.477 20.825 -10.764 1.00 0.00 H new ATOM 0 HG22 THR B 753 12.245 21.609 -9.362 1.00 0.00 H new ATOM 0 HG23 THR B 753 13.230 20.659 -10.501 1.00 0.00 H new ATOM 752 N PHE B 754 12.067 20.132 -6.080 1.00 0.00 N ATOM 753 CA PHE B 754 11.798 21.081 -5.001 1.00 0.00 C ATOM 754 C PHE B 754 13.089 21.437 -4.272 1.00 0.00 C ATOM 755 O PHE B 754 13.304 22.591 -3.899 1.00 0.00 O ATOM 756 CB PHE B 754 10.802 20.477 -4.009 1.00 0.00 C ATOM 757 CG PHE B 754 10.500 21.483 -2.925 1.00 0.00 C ATOM 758 CD1 PHE B 754 9.521 22.464 -3.130 1.00 0.00 C ATOM 759 CD2 PHE B 754 11.200 21.438 -1.714 1.00 0.00 C ATOM 760 CE1 PHE B 754 9.242 23.397 -2.124 1.00 0.00 C ATOM 761 CE2 PHE B 754 10.922 22.371 -0.708 1.00 0.00 C ATOM 762 CZ PHE B 754 9.942 23.350 -0.913 1.00 0.00 C ATOM 0 H PHE B 754 11.543 19.259 -6.017 1.00 0.00 H new ATOM 0 HA PHE B 754 11.374 21.986 -5.435 1.00 0.00 H new ATOM 0 HB2 PHE B 754 9.884 20.195 -4.525 1.00 0.00 H new ATOM 0 HB3 PHE B 754 11.214 19.568 -3.572 1.00 0.00 H new ATOM 0 HD1 PHE B 754 8.981 22.501 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE B 754 11.955 20.683 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE B 754 8.487 24.153 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE B 754 11.463 22.336 0.226 1.00 0.00 H new ATOM 0 HZ PHE B 754 9.726 24.069 -0.136 1.00 0.00 H new ATOM 772 N THR B 755 13.942 20.444 -4.077 1.00 0.00 N ATOM 773 CA THR B 755 15.214 20.662 -3.396 1.00 0.00 C ATOM 774 C THR B 755 16.024 21.737 -4.117 1.00 0.00 C ATOM 775 O THR B 755 16.688 22.557 -3.489 1.00 0.00 O ATOM 776 CB THR B 755 16.017 19.361 -3.341 1.00 0.00 C ATOM 777 OG1 THR B 755 15.180 18.313 -2.877 1.00 0.00 O ATOM 778 CG2 THR B 755 17.205 19.531 -2.390 1.00 0.00 C ATOM 0 H THR B 755 13.781 19.483 -4.378 1.00 0.00 H new ATOM 0 HA THR B 755 15.007 20.995 -2.379 1.00 0.00 H new ATOM 0 HB THR B 755 16.387 19.117 -4.337 1.00 0.00 H new ATOM 0 HG1 THR B 755 15.691 17.477 -2.842 1.00 0.00 H new ATOM 0 HG21 THR B 755 17.776 18.603 -2.352 1.00 0.00 H new ATOM 0 HG22 THR B 755 17.845 20.337 -2.748 1.00 0.00 H new ATOM 0 HG23 THR B 755 16.840 19.774 -1.392 1.00 0.00 H new ATOM 786 N ASN B 756 15.975 21.718 -5.438 1.00 0.00 N ATOM 787 CA ASN B 756 16.709 22.702 -6.226 1.00 0.00 C ATOM 788 C ASN B 756 16.120 24.099 -6.034 1.00 0.00 C ATOM 789 O ASN B 756 16.845 25.059 -5.775 1.00 0.00 O ATOM 790 CB ASN B 756 16.653 22.328 -7.708 1.00 0.00 C ATOM 791 CG ASN B 756 17.361 23.389 -8.546 1.00 0.00 C ATOM 792 OD1 ASN B 756 18.253 24.078 -8.052 1.00 0.00 O ATOM 793 ND2 ASN B 756 17.013 23.562 -9.793 1.00 0.00 N ATOM 0 H ASN B 756 15.442 21.042 -5.985 1.00 0.00 H new ATOM 0 HA ASN B 756 17.745 22.708 -5.887 1.00 0.00 H new ATOM 0 HB2 ASN B 756 17.124 21.357 -7.864 1.00 0.00 H new ATOM 0 HB3 ASN B 756 15.615 22.234 -8.028 1.00 0.00 H new ATOM 0 HD21 ASN B 756 17.481 24.269 -10.360 1.00 0.00 H new ATOM 0 HD22 ASN B 756 16.273 22.990 -10.200 1.00 0.00 H new ATOM 800 N ILE B 757 14.800 24.206 -6.175 1.00 0.00 N ATOM 801 CA ILE B 757 14.132 25.498 -6.028 1.00 0.00 C ATOM 802 C ILE B 757 14.265 26.020 -4.606 1.00 0.00 C ATOM 803 O ILE B 757 14.642 27.168 -4.380 1.00 0.00 O ATOM 804 CB ILE B 757 12.648 25.358 -6.377 1.00 0.00 C ATOM 805 CG1 ILE B 757 12.521 24.617 -7.709 1.00 0.00 C ATOM 806 CG2 ILE B 757 12.023 26.754 -6.511 1.00 0.00 C ATOM 807 CD1 ILE B 757 11.089 24.749 -8.258 1.00 0.00 C ATOM 0 H ILE B 757 14.179 23.425 -6.388 1.00 0.00 H new ATOM 0 HA ILE B 757 14.608 26.205 -6.707 1.00 0.00 H new ATOM 0 HB ILE B 757 12.133 24.803 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE B 757 13.233 25.023 -8.428 1.00 0.00 H new ATOM 0 HG13 ILE B 757 12.770 23.565 -7.573 1.00 0.00 H new ATOM 0 HG21 ILE B 757 10.966 26.657 -6.760 1.00 0.00 H new ATOM 0 HG22 ILE B 757 12.126 27.291 -5.568 1.00 0.00 H new ATOM 0 HG23 ILE B 757 12.532 27.306 -7.301 1.00 0.00 H new ATOM 0 HD11 ILE B 757 11.012 24.217 -9.206 1.00 0.00 H new ATOM 0 HD12 ILE B 757 10.385 24.321 -7.544 1.00 0.00 H new ATOM 0 HD13 ILE B 757 10.854 25.802 -8.413 1.00 0.00 H new ATOM 819 N THR B 758 13.952 25.161 -3.656 1.00 0.00 N ATOM 820 CA THR B 758 14.028 25.532 -2.241 1.00 0.00 C ATOM 821 C THR B 758 15.462 25.859 -1.856 1.00 0.00 C ATOM 822 O THR B 758 15.724 26.403 -0.784 1.00 0.00 O ATOM 823 CB THR B 758 13.498 24.388 -1.361 1.00 0.00 C ATOM 824 OG1 THR B 758 12.960 24.924 -0.159 1.00 0.00 O ATOM 825 CG2 THR B 758 14.622 23.401 -1.014 1.00 0.00 C ATOM 0 H THR B 758 13.643 24.204 -3.828 1.00 0.00 H new ATOM 0 HA THR B 758 13.410 26.416 -2.082 1.00 0.00 H new ATOM 0 HB THR B 758 12.723 23.857 -1.915 1.00 0.00 H new ATOM 0 HG1 THR B 758 12.131 24.453 0.067 1.00 0.00 H new ATOM 0 HG21 THR B 758 14.224 22.600 -0.391 1.00 0.00 H new ATOM 0 HG22 THR B 758 15.031 22.978 -1.932 1.00 0.00 H new ATOM 0 HG23 THR B 758 15.411 23.924 -0.473 1.00 0.00 H new