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 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 712 CYS SG : rot 180:sc= 0 USER MOD Single : B 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 720 THR OG1 : rot 180:sc= 0 USER MOD Single : B 722 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 744 ASN :FLIP amide:sc= -0.0464 F(o=-1.7!,f=-0.046) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ -164:sc= -0.0191 (180deg=-0.279) USER MOD Single : B 751 THR OG1 : rot 180:sc= 0 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 77:sc= 1.15 USER MOD Single : B 755 THR OG1 : rot 1:sc= 0.269 USER MOD Single : B 756 ASN : amide:sc= -2.29! C(o=-2.3!,f=-4.7!) USER MOD Single : B 758 THR OG1 : rot 175:sc= 0.261! USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -20.756 -10.849 17.254 1.00 0.00 N ATOM 13 CA PRO B 710 -20.163 -11.807 18.237 1.00 0.00 C ATOM 14 C PRO B 710 -18.646 -11.933 18.078 1.00 0.00 C ATOM 15 O PRO B 710 -18.118 -11.874 16.967 1.00 0.00 O ATOM 16 CB PRO B 710 -20.866 -13.145 17.921 1.00 0.00 C ATOM 17 CG PRO B 710 -22.109 -12.775 17.175 1.00 0.00 C ATOM 18 CD PRO B 710 -21.773 -11.501 16.408 1.00 0.00 C ATOM 0 HA PRO B 710 -20.311 -11.479 19.266 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -20.226 -13.793 17.322 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -21.104 -13.689 18.835 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -22.408 -13.573 16.495 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -22.941 -12.611 17.860 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -21.386 -11.722 15.413 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -22.651 -10.869 16.276 1.00 0.00 H new ATOM 26 N GLU B 711 -17.957 -12.112 19.199 1.00 0.00 N ATOM 27 CA GLU B 711 -16.507 -12.251 19.180 1.00 0.00 C ATOM 28 C GLU B 711 -16.106 -13.551 18.490 1.00 0.00 C ATOM 29 O GLU B 711 -15.079 -13.614 17.814 1.00 0.00 O ATOM 30 CB GLU B 711 -15.962 -12.240 20.610 1.00 0.00 C ATOM 31 CG GLU B 711 -16.237 -10.880 21.254 1.00 0.00 C ATOM 32 CD GLU B 711 -15.440 -9.791 20.542 1.00 0.00 C ATOM 33 OE1 GLU B 711 -14.468 -10.130 19.887 1.00 0.00 O ATOM 34 OE2 GLU B 711 -15.813 -8.636 20.663 1.00 0.00 O ATOM 0 H GLU B 711 -18.377 -12.164 20.127 1.00 0.00 H new ATOM 0 HA GLU B 711 -16.086 -11.412 18.626 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -16.431 -13.032 21.195 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -14.891 -12.440 20.603 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -17.302 -10.654 21.203 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -15.967 -10.908 22.310 1.00 0.00 H new ATOM 41 N CYS B 712 -16.918 -14.588 18.669 1.00 0.00 N ATOM 42 CA CYS B 712 -16.629 -15.882 18.062 1.00 0.00 C ATOM 43 C CYS B 712 -16.639 -15.775 16.544 1.00 0.00 C ATOM 44 O CYS B 712 -15.776 -16.329 15.864 1.00 0.00 O ATOM 45 CB CYS B 712 -17.671 -16.909 18.506 1.00 0.00 C ATOM 46 SG CYS B 712 -17.521 -17.187 20.288 1.00 0.00 S ATOM 0 H CYS B 712 -17.773 -14.559 19.224 1.00 0.00 H new ATOM 0 HA CYS B 712 -15.639 -16.202 18.387 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -18.673 -16.554 18.265 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -17.527 -17.846 17.967 1.00 0.00 H new ATOM 0 HG CYS B 712 -18.408 -18.058 20.667 1.00 0.00 H new ATOM 52 N LEU B 713 -17.621 -15.059 16.017 1.00 0.00 N ATOM 53 CA LEU B 713 -17.730 -14.890 14.577 1.00 0.00 C ATOM 54 C LEU B 713 -16.523 -14.141 14.026 1.00 0.00 C ATOM 55 O LEU B 713 -15.969 -14.513 12.992 1.00 0.00 O ATOM 56 CB LEU B 713 -19.008 -14.122 14.242 1.00 0.00 C ATOM 57 CG LEU B 713 -19.119 -13.908 12.706 1.00 0.00 C ATOM 58 CD1 LEU B 713 -20.562 -14.139 12.243 1.00 0.00 C ATOM 59 CD2 LEU B 713 -18.700 -12.471 12.337 1.00 0.00 C ATOM 0 H LEU B 713 -18.347 -14.590 16.559 1.00 0.00 H new ATOM 0 HA LEU B 713 -17.765 -15.877 14.116 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -19.877 -14.672 14.604 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -19.006 -13.158 14.752 1.00 0.00 H new ATOM 0 HG LEU B 713 -18.458 -14.620 12.212 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -20.627 -13.986 11.166 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -20.863 -15.159 12.484 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -21.224 -13.436 12.750 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -18.782 -12.334 11.259 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -19.352 -11.760 12.844 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -17.669 -12.302 12.647 1.00 0.00 H new ATOM 71 N ILE B 714 -16.123 -13.082 14.723 1.00 0.00 N ATOM 72 CA ILE B 714 -14.982 -12.286 14.291 1.00 0.00 C ATOM 73 C ILE B 714 -13.703 -13.118 14.342 1.00 0.00 C ATOM 74 O ILE B 714 -12.880 -13.069 13.428 1.00 0.00 O ATOM 75 CB ILE B 714 -14.837 -11.053 15.190 1.00 0.00 C ATOM 76 CG1 ILE B 714 -16.030 -10.121 14.962 1.00 0.00 C ATOM 77 CG2 ILE B 714 -13.541 -10.311 14.846 1.00 0.00 C ATOM 78 CD1 ILE B 714 -16.048 -9.042 16.046 1.00 0.00 C ATOM 0 H ILE B 714 -16.568 -12.758 15.582 1.00 0.00 H new ATOM 0 HA ILE B 714 -15.149 -11.964 13.263 1.00 0.00 H new ATOM 0 HB ILE B 714 -14.806 -11.367 16.233 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -15.962 -9.660 13.976 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -16.959 -10.690 14.985 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -13.442 -9.435 15.487 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -12.690 -10.974 15.003 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -13.568 -9.996 13.803 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -16.897 -8.378 15.884 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -16.136 -9.512 17.026 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -15.124 -8.466 16.002 1.00 0.00 H new ATOM 90 N TRP B 715 -13.540 -13.876 15.421 1.00 0.00 N ATOM 91 CA TRP B 715 -12.356 -14.708 15.587 1.00 0.00 C ATOM 92 C TRP B 715 -12.268 -15.745 14.476 1.00 0.00 C ATOM 93 O TRP B 715 -11.196 -15.991 13.926 1.00 0.00 O ATOM 94 CB TRP B 715 -12.395 -15.408 16.951 1.00 0.00 C ATOM 95 CG TRP B 715 -12.065 -14.430 18.039 1.00 0.00 C ATOM 96 CD1 TRP B 715 -12.145 -13.080 17.931 1.00 0.00 C ATOM 97 CD2 TRP B 715 -11.592 -14.701 19.389 1.00 0.00 C ATOM 98 NE1 TRP B 715 -11.758 -12.512 19.129 1.00 0.00 N ATOM 99 CE2 TRP B 715 -11.407 -13.468 20.058 1.00 0.00 C ATOM 100 CE3 TRP B 715 -11.309 -15.886 20.093 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -10.958 -13.412 21.376 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -10.857 -15.832 21.422 1.00 0.00 C ATOM 103 CH2 TRP B 715 -10.681 -14.596 22.062 1.00 0.00 C ATOM 0 H TRP B 715 -14.209 -13.931 16.189 1.00 0.00 H new ATOM 0 HA TRP B 715 -11.475 -14.068 15.535 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -13.383 -15.835 17.122 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -11.684 -16.234 16.965 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -12.460 -12.538 17.052 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -11.735 -11.508 19.305 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -11.440 -16.842 19.609 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -10.825 -12.458 21.864 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -10.644 -16.747 21.954 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -10.332 -14.560 23.083 1.00 0.00 H new ATOM 114 N LYS B 716 -13.403 -16.348 14.152 1.00 0.00 N ATOM 115 CA LYS B 716 -13.444 -17.358 13.106 1.00 0.00 C ATOM 116 C LYS B 716 -13.051 -16.754 11.766 1.00 0.00 C ATOM 117 O LYS B 716 -12.382 -17.397 10.957 1.00 0.00 O ATOM 118 CB LYS B 716 -14.851 -17.953 13.010 1.00 0.00 C ATOM 119 CG LYS B 716 -14.852 -19.099 11.998 1.00 0.00 C ATOM 120 CD LYS B 716 -16.237 -19.750 11.965 1.00 0.00 C ATOM 121 CE LYS B 716 -16.234 -20.907 10.964 1.00 0.00 C ATOM 122 NZ LYS B 716 -17.577 -21.552 10.947 1.00 0.00 N ATOM 0 H LYS B 716 -14.302 -16.157 14.595 1.00 0.00 H new ATOM 0 HA LYS B 716 -12.734 -18.146 13.358 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -15.171 -18.316 13.987 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -15.562 -17.185 12.706 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -14.591 -18.724 11.008 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -14.098 -19.838 12.268 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -16.503 -20.114 12.957 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -16.990 -19.014 11.684 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -15.982 -20.540 9.969 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -15.472 -21.637 11.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -17.576 -22.339 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -17.800 -21.915 11.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -18.294 -20.853 10.667 1.00 0.00 H new ATOM 136 N LEU B 717 -13.472 -15.517 11.535 1.00 0.00 N ATOM 137 CA LEU B 717 -13.160 -14.843 10.283 1.00 0.00 C ATOM 138 C LEU B 717 -11.652 -14.694 10.121 1.00 0.00 C ATOM 139 O LEU B 717 -11.114 -14.882 9.030 1.00 0.00 O ATOM 140 CB LEU B 717 -13.826 -13.460 10.248 1.00 0.00 C ATOM 141 CG LEU B 717 -13.476 -12.737 8.937 1.00 0.00 C ATOM 142 CD1 LEU B 717 -13.921 -13.581 7.730 1.00 0.00 C ATOM 143 CD2 LEU B 717 -14.182 -11.376 8.908 1.00 0.00 C ATOM 0 H LEU B 717 -14.025 -14.965 12.191 1.00 0.00 H new ATOM 0 HA LEU B 717 -13.544 -15.446 9.460 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -14.907 -13.566 10.336 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -13.494 -12.866 11.100 1.00 0.00 H new ATOM 0 HG LEU B 717 -12.397 -12.592 8.883 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -13.668 -13.059 6.808 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -13.412 -14.545 7.753 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -14.999 -13.738 7.774 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -13.937 -10.859 7.980 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -15.260 -11.524 8.967 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -13.851 -10.776 9.756 1.00 0.00 H new ATOM 155 N LEU B 718 -10.979 -14.352 11.211 1.00 0.00 N ATOM 156 CA LEU B 718 -9.535 -14.175 11.180 1.00 0.00 C ATOM 157 C LEU B 718 -8.843 -15.481 10.823 1.00 0.00 C ATOM 158 O LEU B 718 -7.855 -15.489 10.088 1.00 0.00 O ATOM 159 CB LEU B 718 -9.040 -13.683 12.540 1.00 0.00 C ATOM 160 CG LEU B 718 -9.501 -12.233 12.765 1.00 0.00 C ATOM 161 CD1 LEU B 718 -9.306 -11.862 14.239 1.00 0.00 C ATOM 162 CD2 LEU B 718 -8.696 -11.258 11.874 1.00 0.00 C ATOM 0 H LEU B 718 -11.407 -14.192 12.123 1.00 0.00 H new ATOM 0 HA LEU B 718 -9.295 -13.433 10.418 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -9.426 -14.325 13.332 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -7.952 -13.740 12.585 1.00 0.00 H new ATOM 0 HG LEU B 718 -10.555 -12.155 12.498 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -9.632 -10.835 14.402 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -9.895 -12.533 14.864 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -8.252 -11.954 14.501 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -9.038 -10.238 12.049 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -7.636 -11.332 12.119 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -8.845 -11.516 10.825 1.00 0.00 H new ATOM 174 N ILE B 719 -9.358 -16.585 11.354 1.00 0.00 N ATOM 175 CA ILE B 719 -8.768 -17.886 11.090 1.00 0.00 C ATOM 176 C ILE B 719 -8.825 -18.199 9.596 1.00 0.00 C ATOM 177 O ILE B 719 -7.849 -18.673 9.015 1.00 0.00 O ATOM 178 CB ILE B 719 -9.536 -18.964 11.861 1.00 0.00 C ATOM 179 CG1 ILE B 719 -9.352 -18.734 13.365 1.00 0.00 C ATOM 180 CG2 ILE B 719 -8.993 -20.350 11.482 1.00 0.00 C ATOM 181 CD1 ILE B 719 -10.208 -19.727 14.159 1.00 0.00 C ATOM 0 H ILE B 719 -10.175 -16.603 11.964 1.00 0.00 H new ATOM 0 HA ILE B 719 -7.727 -17.872 11.413 1.00 0.00 H new ATOM 0 HB ILE B 719 -10.595 -18.911 11.610 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -8.302 -18.852 13.633 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -9.634 -17.713 13.622 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -9.539 -21.117 12.031 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -9.119 -20.510 10.411 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -7.934 -20.408 11.735 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -10.070 -19.555 15.226 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -11.258 -19.588 13.902 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -9.906 -20.745 13.914 1.00 0.00 H new ATOM 193 N THR B 720 -9.972 -17.933 8.979 1.00 0.00 N ATOM 194 CA THR B 720 -10.136 -18.194 7.553 1.00 0.00 C ATOM 195 C THR B 720 -9.169 -17.343 6.737 1.00 0.00 C ATOM 196 O THR B 720 -8.473 -17.848 5.856 1.00 0.00 O ATOM 197 CB THR B 720 -11.574 -17.889 7.129 1.00 0.00 C ATOM 198 OG1 THR B 720 -12.475 -18.544 8.012 1.00 0.00 O ATOM 199 CG2 THR B 720 -11.803 -18.378 5.698 1.00 0.00 C ATOM 0 H THR B 720 -10.794 -17.541 9.438 1.00 0.00 H new ATOM 0 HA THR B 720 -9.919 -19.246 7.367 1.00 0.00 H new ATOM 0 HB THR B 720 -11.746 -16.813 7.170 1.00 0.00 H new ATOM 0 HG1 THR B 720 -13.397 -18.348 7.743 1.00 0.00 H new ATOM 0 HG21 THR B 720 -12.828 -18.160 5.398 1.00 0.00 H new ATOM 0 HG22 THR B 720 -11.112 -17.870 5.025 1.00 0.00 H new ATOM 0 HG23 THR B 720 -11.632 -19.453 5.649 1.00 0.00 H new ATOM 207 N ILE B 721 -9.131 -16.049 7.037 1.00 0.00 N ATOM 208 CA ILE B 721 -8.243 -15.135 6.326 1.00 0.00 C ATOM 209 C ILE B 721 -6.782 -15.464 6.617 1.00 0.00 C ATOM 210 O ILE B 721 -5.947 -15.484 5.712 1.00 0.00 O ATOM 211 CB ILE B 721 -8.537 -13.693 6.740 1.00 0.00 C ATOM 212 CG1 ILE B 721 -9.985 -13.347 6.381 1.00 0.00 C ATOM 213 CG2 ILE B 721 -7.589 -12.747 6.000 1.00 0.00 C ATOM 214 CD1 ILE B 721 -10.362 -12.006 7.011 1.00 0.00 C ATOM 0 H ILE B 721 -9.700 -15.612 7.762 1.00 0.00 H new ATOM 0 HA ILE B 721 -8.420 -15.249 5.257 1.00 0.00 H new ATOM 0 HB ILE B 721 -8.392 -13.585 7.815 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -10.100 -13.297 5.298 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -10.656 -14.129 6.737 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -7.798 -11.719 6.295 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -6.558 -12.994 6.252 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -7.735 -12.853 4.925 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -11.393 -11.761 6.755 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -10.263 -12.072 8.094 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -9.699 -11.227 6.633 1.00 0.00 H new ATOM 226 N HIS B 722 -6.483 -15.720 7.886 1.00 0.00 N ATOM 227 CA HIS B 722 -5.121 -16.046 8.294 1.00 0.00 C ATOM 228 C HIS B 722 -4.648 -17.324 7.612 1.00 0.00 C ATOM 229 O HIS B 722 -3.476 -17.454 7.261 1.00 0.00 O ATOM 230 CB HIS B 722 -5.054 -16.220 9.812 1.00 0.00 C ATOM 231 CG HIS B 722 -3.629 -16.469 10.225 1.00 0.00 C ATOM 232 ND1 HIS B 722 -2.633 -15.520 10.049 1.00 0.00 N ATOM 233 CD2 HIS B 722 -3.017 -17.551 10.806 1.00 0.00 C ATOM 234 CE1 HIS B 722 -1.486 -16.045 10.518 1.00 0.00 C ATOM 235 NE2 HIS B 722 -1.663 -17.282 10.990 1.00 0.00 N ATOM 0 H HIS B 722 -7.162 -15.708 8.647 1.00 0.00 H new ATOM 0 HA HIS B 722 -4.469 -15.225 7.995 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -5.437 -15.329 10.308 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -5.685 -17.053 10.122 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -3.511 -18.472 11.079 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -0.537 -15.529 10.513 1.00 0.00 H new ATOM 0 HE2 HIS B 722 -0.958 -17.897 11.397 1.00 0.00 H new ATOM 244 N ASP B 723 -5.567 -18.266 7.433 1.00 0.00 N ATOM 245 CA ASP B 723 -5.231 -19.535 6.800 1.00 0.00 C ATOM 246 C ASP B 723 -4.902 -19.323 5.326 1.00 0.00 C ATOM 247 O ASP B 723 -4.034 -19.997 4.769 1.00 0.00 O ATOM 248 CB ASP B 723 -6.406 -20.506 6.923 1.00 0.00 C ATOM 249 CG ASP B 723 -6.006 -21.880 6.394 1.00 0.00 C ATOM 250 OD1 ASP B 723 -4.906 -21.997 5.879 1.00 0.00 O ATOM 251 OD2 ASP B 723 -6.801 -22.796 6.519 1.00 0.00 O ATOM 0 H ASP B 723 -6.543 -18.176 7.715 1.00 0.00 H new ATOM 0 HA ASP B 723 -4.359 -19.952 7.303 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -6.716 -20.585 7.965 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -7.262 -20.127 6.364 1.00 0.00 H new ATOM 256 N ARG B 724 -5.598 -18.381 4.697 1.00 0.00 N ATOM 257 CA ARG B 724 -5.366 -18.088 3.286 1.00 0.00 C ATOM 258 C ARG B 724 -4.126 -17.215 3.116 1.00 0.00 C ATOM 259 O ARG B 724 -4.186 -15.996 3.273 1.00 0.00 O ATOM 260 CB ARG B 724 -6.579 -17.369 2.695 1.00 0.00 C ATOM 261 CG ARG B 724 -7.761 -18.337 2.621 1.00 0.00 C ATOM 262 CD ARG B 724 -8.988 -17.605 2.076 1.00 0.00 C ATOM 263 NE ARG B 724 -10.128 -18.512 2.008 1.00 0.00 N ATOM 264 CZ ARG B 724 -11.297 -18.111 1.520 1.00 0.00 C ATOM 265 NH1 ARG B 724 -11.438 -16.889 1.086 1.00 0.00 N ATOM 266 NH2 ARG B 724 -12.304 -18.941 1.474 1.00 0.00 N ATOM 0 H ARG B 724 -6.321 -17.812 5.137 1.00 0.00 H new ATOM 0 HA ARG B 724 -5.210 -19.030 2.761 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -6.839 -16.507 3.310 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -6.342 -16.991 1.700 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -7.513 -19.182 1.978 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -7.976 -18.742 3.610 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -9.228 -16.756 2.716 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -8.772 -17.206 1.085 1.00 0.00 H new ATOM 0 HE ARG B 724 -10.026 -19.471 2.341 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -10.651 -16.241 1.121 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -12.335 -16.581 0.711 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -12.193 -19.897 1.813 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -13.202 -18.634 1.099 1.00 0.00 H new ATOM 280 N LYS B 725 -3.005 -17.848 2.792 1.00 0.00 N ATOM 281 CA LYS B 725 -1.754 -17.121 2.598 1.00 0.00 C ATOM 282 C LYS B 725 -1.864 -16.171 1.413 1.00 0.00 C ATOM 283 O LYS B 725 -1.242 -15.109 1.397 1.00 0.00 O ATOM 284 CB LYS B 725 -0.610 -18.109 2.363 1.00 0.00 C ATOM 285 CG LYS B 725 0.716 -17.351 2.307 1.00 0.00 C ATOM 286 CD LYS B 725 1.877 -18.349 2.226 1.00 0.00 C ATOM 287 CE LYS B 725 1.798 -19.143 0.917 1.00 0.00 C ATOM 288 NZ LYS B 725 3.132 -19.723 0.606 1.00 0.00 N ATOM 0 H LYS B 725 -2.935 -18.857 2.658 1.00 0.00 H new ATOM 0 HA LYS B 725 -1.550 -16.537 3.495 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -0.584 -18.849 3.163 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -0.770 -18.652 1.432 1.00 0.00 H new ATOM 0 HG2 LYS B 725 0.731 -16.689 1.441 1.00 0.00 H new ATOM 0 HG3 LYS B 725 0.825 -16.723 3.191 1.00 0.00 H new ATOM 0 HD2 LYS B 725 2.828 -17.818 2.282 1.00 0.00 H new ATOM 0 HD3 LYS B 725 1.842 -19.030 3.076 1.00 0.00 H new ATOM 0 HE2 LYS B 725 1.056 -19.937 1.005 1.00 0.00 H new ATOM 0 HE3 LYS B 725 1.474 -18.493 0.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 3.078 -20.262 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 3.828 -18.957 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 3.424 -20.356 1.378 1.00 0.00 H new ATOM 302 N GLU B 726 -2.658 -16.559 0.423 1.00 0.00 N ATOM 303 CA GLU B 726 -2.840 -15.734 -0.765 1.00 0.00 C ATOM 304 C GLU B 726 -3.367 -14.359 -0.373 1.00 0.00 C ATOM 305 O GLU B 726 -3.058 -13.357 -1.018 1.00 0.00 O ATOM 306 CB GLU B 726 -3.827 -16.409 -1.720 1.00 0.00 C ATOM 307 CG GLU B 726 -3.259 -17.751 -2.184 1.00 0.00 C ATOM 308 CD GLU B 726 -2.008 -17.529 -3.029 1.00 0.00 C ATOM 309 OE1 GLU B 726 -1.835 -16.423 -3.513 1.00 0.00 O ATOM 310 OE2 GLU B 726 -1.242 -18.466 -3.176 1.00 0.00 O ATOM 0 H GLU B 726 -3.183 -17.433 0.418 1.00 0.00 H new ATOM 0 HA GLU B 726 -1.877 -15.618 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -4.784 -16.561 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -4.014 -15.766 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -3.018 -18.371 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -4.008 -18.290 -2.764 1.00 0.00 H new ATOM 317 N PHE B 727 -4.166 -14.317 0.689 1.00 0.00 N ATOM 318 CA PHE B 727 -4.729 -13.056 1.156 1.00 0.00 C ATOM 319 C PHE B 727 -3.616 -12.074 1.511 1.00 0.00 C ATOM 320 O PHE B 727 -3.661 -10.906 1.124 1.00 0.00 O ATOM 321 CB PHE B 727 -5.603 -13.301 2.388 1.00 0.00 C ATOM 322 CG PHE B 727 -6.276 -12.009 2.795 1.00 0.00 C ATOM 323 CD1 PHE B 727 -7.347 -11.515 2.042 1.00 0.00 C ATOM 324 CD2 PHE B 727 -5.829 -11.306 3.922 1.00 0.00 C ATOM 325 CE1 PHE B 727 -7.974 -10.320 2.416 1.00 0.00 C ATOM 326 CE2 PHE B 727 -6.456 -10.111 4.295 1.00 0.00 C ATOM 327 CZ PHE B 727 -7.527 -9.618 3.543 1.00 0.00 C ATOM 0 H PHE B 727 -4.436 -15.134 1.237 1.00 0.00 H new ATOM 0 HA PHE B 727 -5.336 -12.631 0.357 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -6.353 -14.061 2.169 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -4.995 -13.681 3.209 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -7.690 -12.055 1.172 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -5.001 -11.686 4.502 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -8.802 -9.940 1.836 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -6.112 -9.570 5.164 1.00 0.00 H new ATOM 0 HZ PHE B 727 -8.010 -8.696 3.831 1.00 0.00 H new ATOM 337 N ALA B 728 -2.614 -12.552 2.248 1.00 0.00 N ATOM 338 CA ALA B 728 -1.498 -11.701 2.645 1.00 0.00 C ATOM 339 C ALA B 728 -0.751 -11.192 1.417 1.00 0.00 C ATOM 340 O ALA B 728 -0.388 -10.018 1.344 1.00 0.00 O ATOM 341 CB ALA B 728 -0.538 -12.490 3.536 1.00 0.00 C ATOM 0 H ALA B 728 -2.554 -13.515 2.579 1.00 0.00 H new ATOM 0 HA ALA B 728 -1.891 -10.847 3.197 1.00 0.00 H new ATOM 0 HB1 ALA B 728 0.294 -11.850 3.830 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -1.066 -12.831 4.427 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -0.157 -13.351 2.987 1.00 0.00 H new ATOM 347 N LYS B 729 -0.535 -12.080 0.450 1.00 0.00 N ATOM 348 CA LYS B 729 0.163 -11.706 -0.776 1.00 0.00 C ATOM 349 C LYS B 729 -0.621 -10.637 -1.530 1.00 0.00 C ATOM 350 O LYS B 729 -0.045 -9.695 -2.072 1.00 0.00 O ATOM 351 CB LYS B 729 0.358 -12.933 -1.667 1.00 0.00 C ATOM 352 CG LYS B 729 1.379 -13.875 -1.024 1.00 0.00 C ATOM 353 CD LYS B 729 1.585 -15.093 -1.925 1.00 0.00 C ATOM 354 CE LYS B 729 2.629 -16.019 -1.300 1.00 0.00 C ATOM 355 NZ LYS B 729 2.827 -17.208 -2.177 1.00 0.00 N ATOM 0 H LYS B 729 -0.830 -13.055 0.491 1.00 0.00 H new ATOM 0 HA LYS B 729 1.139 -11.302 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -0.592 -13.449 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS B 729 0.702 -12.627 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS B 729 2.325 -13.356 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS B 729 1.030 -14.191 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS B 729 0.643 -15.625 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS B 729 1.912 -14.775 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS B 729 3.572 -15.487 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS B 729 2.304 -16.335 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 3.537 -17.838 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 1.927 -17.719 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 3.156 -16.898 -3.114 1.00 0.00 H new ATOM 369 N PHE B 730 -1.940 -10.790 -1.558 1.00 0.00 N ATOM 370 CA PHE B 730 -2.798 -9.832 -2.236 1.00 0.00 C ATOM 371 C PHE B 730 -2.703 -8.461 -1.575 1.00 0.00 C ATOM 372 O PHE B 730 -2.673 -7.435 -2.254 1.00 0.00 O ATOM 373 CB PHE B 730 -4.247 -10.317 -2.213 1.00 0.00 C ATOM 374 CG PHE B 730 -5.133 -9.278 -2.859 1.00 0.00 C ATOM 375 CD1 PHE B 730 -5.151 -9.139 -4.253 1.00 0.00 C ATOM 376 CD2 PHE B 730 -5.936 -8.453 -2.064 1.00 0.00 C ATOM 377 CE1 PHE B 730 -5.972 -8.175 -4.848 1.00 0.00 C ATOM 378 CE2 PHE B 730 -6.756 -7.490 -2.659 1.00 0.00 C ATOM 379 CZ PHE B 730 -6.776 -7.351 -4.051 1.00 0.00 C ATOM 0 H PHE B 730 -2.435 -11.567 -1.120 1.00 0.00 H new ATOM 0 HA PHE B 730 -2.464 -9.745 -3.270 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -4.333 -11.265 -2.743 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -4.566 -10.496 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -4.532 -9.775 -4.868 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -5.922 -8.560 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -5.986 -8.066 -5.922 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -7.374 -6.853 -2.044 1.00 0.00 H new ATOM 0 HZ PHE B 730 -7.411 -6.608 -4.511 1.00 0.00 H new ATOM 389 N GLU B 731 -2.674 -8.450 -0.244 1.00 0.00 N ATOM 390 CA GLU B 731 -2.602 -7.194 0.496 1.00 0.00 C ATOM 391 C GLU B 731 -1.374 -6.381 0.091 1.00 0.00 C ATOM 392 O GLU B 731 -1.478 -5.194 -0.222 1.00 0.00 O ATOM 393 CB GLU B 731 -2.537 -7.487 2.001 1.00 0.00 C ATOM 394 CG GLU B 731 -3.915 -7.910 2.509 1.00 0.00 C ATOM 395 CD GLU B 731 -3.847 -8.207 4.003 1.00 0.00 C ATOM 396 OE1 GLU B 731 -2.935 -8.909 4.409 1.00 0.00 O ATOM 397 OE2 GLU B 731 -4.711 -7.731 4.722 1.00 0.00 O ATOM 0 H GLU B 731 -2.699 -9.287 0.338 1.00 0.00 H new ATOM 0 HA GLU B 731 -3.494 -6.613 0.263 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -1.810 -8.276 2.196 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -2.198 -6.601 2.538 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -4.641 -7.119 2.319 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -4.256 -8.793 1.969 1.00 0.00 H new ATOM 404 N GLU B 732 -0.218 -7.027 0.093 1.00 0.00 N ATOM 405 CA GLU B 732 1.022 -6.350 -0.277 1.00 0.00 C ATOM 406 C GLU B 732 1.019 -5.982 -1.757 1.00 0.00 C ATOM 407 O GLU B 732 1.492 -4.913 -2.139 1.00 0.00 O ATOM 408 CB GLU B 732 2.230 -7.225 0.047 1.00 0.00 C ATOM 409 CG GLU B 732 2.014 -8.591 -0.560 1.00 0.00 C ATOM 410 CD GLU B 732 3.189 -9.508 -0.246 1.00 0.00 C ATOM 411 OE1 GLU B 732 3.651 -9.484 0.884 1.00 0.00 O ATOM 412 OE2 GLU B 732 3.610 -10.222 -1.139 1.00 0.00 O ATOM 0 H GLU B 732 -0.109 -8.010 0.344 1.00 0.00 H new ATOM 0 HA GLU B 732 1.091 -5.432 0.306 1.00 0.00 H new ATOM 0 HB2 GLU B 732 3.140 -6.775 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU B 732 2.359 -7.307 1.126 1.00 0.00 H new ATOM 0 HG2 GLU B 732 1.093 -9.026 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU B 732 1.894 -8.501 -1.640 1.00 0.00 H new ATOM 419 N GLU B 733 0.480 -6.871 -2.581 1.00 0.00 N ATOM 420 CA GLU B 733 0.414 -6.628 -4.016 1.00 0.00 C ATOM 421 C GLU B 733 -0.531 -5.474 -4.325 1.00 0.00 C ATOM 422 O GLU B 733 -0.268 -4.668 -5.216 1.00 0.00 O ATOM 423 CB GLU B 733 -0.061 -7.895 -4.736 1.00 0.00 C ATOM 424 CG GLU B 733 1.077 -8.918 -4.798 1.00 0.00 C ATOM 425 CD GLU B 733 0.580 -10.217 -5.422 1.00 0.00 C ATOM 426 OE1 GLU B 733 -0.577 -10.263 -5.807 1.00 0.00 O ATOM 427 OE2 GLU B 733 1.365 -11.146 -5.508 1.00 0.00 O ATOM 0 H GLU B 733 0.084 -7.762 -2.282 1.00 0.00 H new ATOM 0 HA GLU B 733 1.411 -6.362 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -0.917 -8.322 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -0.394 -7.648 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU B 733 1.905 -8.518 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU B 733 1.459 -9.110 -3.795 1.00 0.00 H new ATOM 434 N ARG B 734 -1.633 -5.403 -3.589 1.00 0.00 N ATOM 435 CA ARG B 734 -2.609 -4.344 -3.806 1.00 0.00 C ATOM 436 C ARG B 734 -1.976 -2.978 -3.572 1.00 0.00 C ATOM 437 O ARG B 734 -2.180 -2.050 -4.351 1.00 0.00 O ATOM 438 CB ARG B 734 -3.793 -4.528 -2.857 1.00 0.00 C ATOM 439 CG ARG B 734 -4.860 -3.471 -3.152 1.00 0.00 C ATOM 440 CD ARG B 734 -6.063 -3.687 -2.233 1.00 0.00 C ATOM 441 NE ARG B 734 -7.150 -2.787 -2.610 1.00 0.00 N ATOM 442 CZ ARG B 734 -7.213 -1.544 -2.141 1.00 0.00 C ATOM 443 NH1 ARG B 734 -6.291 -1.106 -1.328 1.00 0.00 N ATOM 444 NH2 ARG B 734 -8.195 -0.762 -2.495 1.00 0.00 N ATOM 0 H ARG B 734 -1.871 -6.058 -2.845 1.00 0.00 H new ATOM 0 HA ARG B 734 -2.956 -4.399 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -4.214 -5.526 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG B 734 -3.459 -4.443 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -4.449 -2.473 -3.001 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -5.170 -3.534 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -6.398 -4.722 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -5.776 -3.509 -1.197 1.00 0.00 H new ATOM 0 HE ARG B 734 -7.875 -3.119 -3.246 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -5.522 -1.717 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -6.339 -0.153 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -8.915 -1.104 -3.132 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -8.243 0.191 -2.135 1.00 0.00 H new ATOM 458 N ALA B 735 -1.210 -2.865 -2.494 1.00 0.00 N ATOM 459 CA ALA B 735 -0.555 -1.602 -2.166 1.00 0.00 C ATOM 460 C ALA B 735 0.451 -1.217 -3.248 1.00 0.00 C ATOM 461 O ALA B 735 0.539 -0.053 -3.639 1.00 0.00 O ATOM 462 CB ALA B 735 0.163 -1.719 -0.822 1.00 0.00 C ATOM 0 H ALA B 735 -1.027 -3.623 -1.837 1.00 0.00 H new ATOM 0 HA ALA B 735 -1.319 -0.827 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA B 735 0.649 -0.772 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA B 735 -0.560 -1.961 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA B 735 0.913 -2.508 -0.878 1.00 0.00 H new ATOM 468 N ARG B 736 1.204 -2.201 -3.732 1.00 0.00 N ATOM 469 CA ARG B 736 2.189 -1.955 -4.767 1.00 0.00 C ATOM 470 C ARG B 736 1.515 -1.511 -6.058 1.00 0.00 C ATOM 471 O ARG B 736 2.043 -0.675 -6.791 1.00 0.00 O ATOM 472 CB ARG B 736 3.009 -3.220 -5.017 1.00 0.00 C ATOM 473 CG ARG B 736 3.942 -3.465 -3.830 1.00 0.00 C ATOM 474 CD ARG B 736 4.828 -4.681 -4.110 1.00 0.00 C ATOM 475 NE ARG B 736 4.048 -5.909 -4.029 1.00 0.00 N ATOM 476 CZ ARG B 736 4.614 -7.095 -4.229 1.00 0.00 C ATOM 477 NH1 ARG B 736 5.886 -7.174 -4.511 1.00 0.00 N ATOM 478 NH2 ARG B 736 3.897 -8.180 -4.142 1.00 0.00 N ATOM 0 H ARG B 736 1.147 -3.171 -3.422 1.00 0.00 H new ATOM 0 HA ARG B 736 2.851 -1.157 -4.431 1.00 0.00 H new ATOM 0 HB2 ARG B 736 2.346 -4.074 -5.155 1.00 0.00 H new ATOM 0 HB3 ARG B 736 3.589 -3.115 -5.934 1.00 0.00 H new ATOM 0 HG2 ARG B 736 4.561 -2.585 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG B 736 3.358 -3.630 -2.924 1.00 0.00 H new ATOM 0 HD2 ARG B 736 5.276 -4.592 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG B 736 5.647 -4.715 -3.391 1.00 0.00 H new ATOM 0 HE ARG B 736 3.052 -5.858 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG B 736 6.447 -6.325 -4.578 1.00 0.00 H new ATOM 0 HH12 ARG B 736 6.319 -8.085 -4.664 1.00 0.00 H new ATOM 0 HH21 ARG B 736 2.903 -8.118 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG B 736 4.330 -9.091 -4.295 1.00 0.00 H new ATOM 598 N ASN B 744 3.860 8.237 -6.932 1.00 0.00 N ATOM 599 CA ASN B 744 2.865 9.158 -6.411 1.00 0.00 C ATOM 600 C ASN B 744 3.243 10.608 -6.732 1.00 0.00 C ATOM 601 O ASN B 744 4.423 10.958 -6.741 1.00 0.00 O ATOM 602 CB ASN B 744 2.723 8.989 -4.897 1.00 0.00 C ATOM 603 CG ASN B 744 1.991 7.688 -4.581 1.00 0.00 C ATOM 604 OD1 ASN B 744 1.520 6.954 -5.557 1.00 0.00 O flip ATOM 605 ND2 ASN B 744 1.841 7.329 -3.413 1.00 0.00 N flip ATOM 0 HA ASN B 744 1.913 8.929 -6.889 1.00 0.00 H new ATOM 0 HB2 ASN B 744 3.708 8.984 -4.430 1.00 0.00 H new ATOM 0 HB3 ASN B 744 2.176 9.834 -4.479 1.00 0.00 H new ATOM 0 HD21 ASN B 744 2.208 7.901 -2.652 1.00 0.00 H new ATOM 0 HD22 ASN B 744 1.350 6.459 -3.206 1.00 0.00 H new ATOM 612 N PRO B 745 2.271 11.452 -6.984 1.00 0.00 N ATOM 613 CA PRO B 745 2.514 12.889 -7.296 1.00 0.00 C ATOM 614 C PRO B 745 3.485 13.538 -6.320 1.00 0.00 C ATOM 615 O PRO B 745 4.276 14.405 -6.690 1.00 0.00 O ATOM 616 CB PRO B 745 1.120 13.529 -7.183 1.00 0.00 C ATOM 617 CG PRO B 745 0.142 12.421 -7.416 1.00 0.00 C ATOM 618 CD PRO B 745 0.838 11.122 -7.010 1.00 0.00 C ATOM 0 HA PRO B 745 2.972 13.018 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO B 745 0.975 13.979 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO B 745 0.994 14.323 -7.919 1.00 0.00 H new ATOM 0 HG2 PRO B 745 -0.763 12.574 -6.828 1.00 0.00 H new ATOM 0 HG3 PRO B 745 -0.160 12.386 -8.463 1.00 0.00 H new ATOM 0 HD2 PRO B 745 0.494 10.778 -6.035 1.00 0.00 H new ATOM 0 HD3 PRO B 745 0.629 10.323 -7.722 1.00 0.00 H new ATOM 626 N LEU B 746 3.413 13.109 -5.078 1.00 0.00 N ATOM 627 CA LEU B 746 4.280 13.658 -4.044 1.00 0.00 C ATOM 628 C LEU B 746 5.739 13.549 -4.465 1.00 0.00 C ATOM 629 O LEU B 746 6.556 14.412 -4.142 1.00 0.00 O ATOM 630 CB LEU B 746 4.072 12.907 -2.728 1.00 0.00 C ATOM 631 CG LEU B 746 2.663 13.185 -2.183 1.00 0.00 C ATOM 632 CD1 LEU B 746 2.400 12.281 -0.975 1.00 0.00 C ATOM 633 CD2 LEU B 746 2.523 14.666 -1.766 1.00 0.00 C ATOM 0 H LEU B 746 2.769 12.387 -4.756 1.00 0.00 H new ATOM 0 HA LEU B 746 4.026 14.709 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU B 746 4.206 11.837 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU B 746 4.821 13.218 -2.000 1.00 0.00 H new ATOM 0 HG LEU B 746 1.934 12.976 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU B 746 1.401 12.476 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU B 746 2.474 11.237 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU B 746 3.138 12.486 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU B 746 1.518 14.843 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU B 746 3.253 14.896 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU B 746 2.699 15.306 -2.631 1.00 0.00 H new ATOM 645 N TYR B 747 6.063 12.487 -5.187 1.00 0.00 N ATOM 646 CA TYR B 747 7.432 12.282 -5.643 1.00 0.00 C ATOM 647 C TYR B 747 7.863 13.412 -6.572 1.00 0.00 C ATOM 648 O TYR B 747 8.954 13.965 -6.435 1.00 0.00 O ATOM 649 CB TYR B 747 7.531 10.948 -6.381 1.00 0.00 C ATOM 650 CG TYR B 747 8.927 10.774 -6.933 1.00 0.00 C ATOM 651 CD1 TYR B 747 9.939 10.243 -6.123 1.00 0.00 C ATOM 652 CD2 TYR B 747 9.208 11.148 -8.251 1.00 0.00 C ATOM 653 CE1 TYR B 747 11.234 10.087 -6.633 1.00 0.00 C ATOM 654 CE2 TYR B 747 10.502 10.991 -8.762 1.00 0.00 C ATOM 655 CZ TYR B 747 11.515 10.461 -7.952 1.00 0.00 C ATOM 656 OH TYR B 747 12.790 10.307 -8.456 1.00 0.00 O ATOM 0 H TYR B 747 5.405 11.760 -5.468 1.00 0.00 H new ATOM 0 HA TYR B 747 8.091 12.273 -4.775 1.00 0.00 H new ATOM 0 HB2 TYR B 747 7.293 10.128 -5.704 1.00 0.00 H new ATOM 0 HB3 TYR B 747 6.802 10.914 -7.191 1.00 0.00 H new ATOM 0 HD1 TYR B 747 9.721 9.954 -5.106 1.00 0.00 H new ATOM 0 HD2 TYR B 747 8.427 11.558 -8.874 1.00 0.00 H new ATOM 0 HE1 TYR B 747 12.015 9.678 -6.009 1.00 0.00 H new ATOM 0 HE2 TYR B 747 10.719 11.278 -9.780 1.00 0.00 H new ATOM 0 HH TYR B 747 12.813 10.614 -9.386 1.00 0.00 H new ATOM 666 N LYS B 748 6.995 13.744 -7.515 1.00 0.00 N ATOM 667 CA LYS B 748 7.287 14.813 -8.472 1.00 0.00 C ATOM 668 C LYS B 748 7.378 16.157 -7.761 1.00 0.00 C ATOM 669 O LYS B 748 8.257 16.968 -8.049 1.00 0.00 O ATOM 670 CB LYS B 748 6.196 14.877 -9.545 1.00 0.00 C ATOM 671 CG LYS B 748 6.205 13.580 -10.349 1.00 0.00 C ATOM 672 CD LYS B 748 5.113 13.631 -11.421 1.00 0.00 C ATOM 673 CE LYS B 748 5.067 12.300 -12.175 1.00 0.00 C ATOM 674 NZ LYS B 748 6.326 12.126 -12.954 1.00 0.00 N ATOM 0 H LYS B 748 6.088 13.296 -7.642 1.00 0.00 H new ATOM 0 HA LYS B 748 8.245 14.595 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS B 748 5.221 15.024 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS B 748 6.367 15.728 -10.204 1.00 0.00 H new ATOM 0 HG2 LYS B 748 7.180 13.436 -10.815 1.00 0.00 H new ATOM 0 HG3 LYS B 748 6.040 12.729 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS B 748 4.146 13.832 -10.960 1.00 0.00 H new ATOM 0 HD3 LYS B 748 5.310 14.447 -12.116 1.00 0.00 H new ATOM 0 HE2 LYS B 748 4.945 11.476 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS B 748 4.207 12.278 -12.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 6.194 11.379 -13.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 6.566 13.019 -13.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 7.098 11.859 -12.311 1.00 0.00 H new ATOM 688 N GLU B 749 6.456 16.385 -6.834 1.00 0.00 N ATOM 689 CA GLU B 749 6.431 17.640 -6.086 1.00 0.00 C ATOM 690 C GLU B 749 7.746 17.846 -5.344 1.00 0.00 C ATOM 691 O GLU B 749 8.262 18.960 -5.269 1.00 0.00 O ATOM 692 CB GLU B 749 5.270 17.634 -5.085 1.00 0.00 C ATOM 693 CG GLU B 749 3.938 17.593 -5.838 1.00 0.00 C ATOM 694 CD GLU B 749 3.740 18.883 -6.627 1.00 0.00 C ATOM 695 OE1 GLU B 749 4.381 19.865 -6.289 1.00 0.00 O ATOM 696 OE2 GLU B 749 2.954 18.869 -7.560 1.00 0.00 O ATOM 0 H GLU B 749 5.721 15.725 -6.582 1.00 0.00 H new ATOM 0 HA GLU B 749 6.293 18.459 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU B 749 5.352 16.771 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU B 749 5.316 18.523 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU B 749 3.920 16.738 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU B 749 3.117 17.459 -5.133 1.00 0.00 H new ATOM 703 N ALA B 750 8.283 16.763 -4.804 1.00 0.00 N ATOM 704 CA ALA B 750 9.545 16.831 -4.076 1.00 0.00 C ATOM 705 C ALA B 750 10.683 17.216 -5.017 1.00 0.00 C ATOM 706 O ALA B 750 11.585 17.966 -4.642 1.00 0.00 O ATOM 707 CB ALA B 750 9.850 15.479 -3.427 1.00 0.00 C ATOM 0 H ALA B 750 7.870 15.832 -4.854 1.00 0.00 H new ATOM 0 HA ALA B 750 9.456 17.591 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA B 750 10.794 15.540 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA B 750 9.050 15.220 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA B 750 9.923 14.713 -4.199 1.00 0.00 H new ATOM 713 N THR B 751 10.632 16.701 -6.241 1.00 0.00 N ATOM 714 CA THR B 751 11.662 16.997 -7.229 1.00 0.00 C ATOM 715 C THR B 751 11.669 18.485 -7.567 1.00 0.00 C ATOM 716 O THR B 751 12.726 19.115 -7.624 1.00 0.00 O ATOM 717 CB THR B 751 11.415 16.183 -8.499 1.00 0.00 C ATOM 718 OG1 THR B 751 11.207 14.820 -8.153 1.00 0.00 O ATOM 719 CG2 THR B 751 12.625 16.296 -9.425 1.00 0.00 C ATOM 0 H THR B 751 9.893 16.080 -6.571 1.00 0.00 H new ATOM 0 HA THR B 751 12.631 16.728 -6.809 1.00 0.00 H new ATOM 0 HB THR B 751 10.533 16.568 -9.011 1.00 0.00 H new ATOM 0 HG1 THR B 751 11.047 14.297 -8.966 1.00 0.00 H new ATOM 0 HG21 THR B 751 12.446 15.715 -10.330 1.00 0.00 H new ATOM 0 HG22 THR B 751 12.784 17.341 -9.691 1.00 0.00 H new ATOM 0 HG23 THR B 751 13.510 15.913 -8.916 1.00 0.00 H new ATOM 727 N SER B 752 10.483 19.039 -7.790 1.00 0.00 N ATOM 728 CA SER B 752 10.355 20.453 -8.122 1.00 0.00 C ATOM 729 C SER B 752 10.830 21.318 -6.960 1.00 0.00 C ATOM 730 O SER B 752 11.342 22.421 -7.159 1.00 0.00 O ATOM 731 CB SER B 752 8.902 20.787 -8.456 1.00 0.00 C ATOM 732 OG SER B 752 8.574 20.222 -9.720 1.00 0.00 O ATOM 0 H SER B 752 9.599 18.533 -7.747 1.00 0.00 H new ATOM 0 HA SER B 752 10.978 20.660 -8.992 1.00 0.00 H new ATOM 0 HB2 SER B 752 8.239 20.394 -7.685 1.00 0.00 H new ATOM 0 HB3 SER B 752 8.760 21.867 -8.479 1.00 0.00 H new ATOM 0 HG SER B 752 7.642 20.431 -9.940 1.00 0.00 H new ATOM 738 N THR B 753 10.647 20.814 -5.747 1.00 0.00 N ATOM 739 CA THR B 753 11.050 21.549 -4.552 1.00 0.00 C ATOM 740 C THR B 753 12.557 21.769 -4.537 1.00 0.00 C ATOM 741 O THR B 753 13.028 22.858 -4.231 1.00 0.00 O ATOM 742 CB THR B 753 10.635 20.780 -3.295 1.00 0.00 C ATOM 743 OG1 THR B 753 9.272 20.398 -3.404 1.00 0.00 O ATOM 744 CG2 THR B 753 10.820 21.672 -2.065 1.00 0.00 C ATOM 0 H THR B 753 10.224 19.904 -5.563 1.00 0.00 H new ATOM 0 HA THR B 753 10.552 22.519 -4.566 1.00 0.00 H new ATOM 0 HB THR B 753 11.255 19.889 -3.192 1.00 0.00 H new ATOM 0 HG1 THR B 753 9.195 19.628 -4.006 1.00 0.00 H new ATOM 0 HG21 THR B 753 10.524 21.124 -1.170 1.00 0.00 H new ATOM 0 HG22 THR B 753 11.867 21.965 -1.982 1.00 0.00 H new ATOM 0 HG23 THR B 753 10.201 22.563 -2.166 1.00 0.00 H new ATOM 752 N PHE B 754 13.304 20.730 -4.876 1.00 0.00 N ATOM 753 CA PHE B 754 14.763 20.818 -4.897 1.00 0.00 C ATOM 754 C PHE B 754 15.211 21.909 -5.858 1.00 0.00 C ATOM 755 O PHE B 754 16.103 22.688 -5.539 1.00 0.00 O ATOM 756 CB PHE B 754 15.357 19.473 -5.322 1.00 0.00 C ATOM 757 CG PHE B 754 16.855 19.493 -5.117 1.00 0.00 C ATOM 758 CD1 PHE B 754 17.378 19.584 -3.821 1.00 0.00 C ATOM 759 CD2 PHE B 754 17.721 19.419 -6.217 1.00 0.00 C ATOM 760 CE1 PHE B 754 18.764 19.604 -3.624 1.00 0.00 C ATOM 761 CE2 PHE B 754 19.107 19.438 -6.019 1.00 0.00 C ATOM 762 CZ PHE B 754 19.627 19.532 -4.723 1.00 0.00 C ATOM 0 H PHE B 754 12.930 19.818 -5.140 1.00 0.00 H new ATOM 0 HA PHE B 754 15.116 21.066 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE B 754 14.911 18.667 -4.740 1.00 0.00 H new ATOM 0 HB3 PHE B 754 15.126 19.276 -6.369 1.00 0.00 H new ATOM 0 HD1 PHE B 754 16.712 19.639 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE B 754 17.319 19.347 -7.217 1.00 0.00 H new ATOM 0 HE1 PHE B 754 19.167 19.675 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE B 754 19.775 19.380 -6.866 1.00 0.00 H new ATOM 0 HZ PHE B 754 20.696 19.549 -4.571 1.00 0.00 H new ATOM 772 N THR B 755 14.590 21.968 -7.027 1.00 0.00 N ATOM 773 CA THR B 755 14.942 22.975 -8.008 1.00 0.00 C ATOM 774 C THR B 755 14.613 24.373 -7.495 1.00 0.00 C ATOM 775 O THR B 755 15.312 25.337 -7.797 1.00 0.00 O ATOM 776 CB THR B 755 14.179 22.712 -9.303 1.00 0.00 C ATOM 777 OG1 THR B 755 12.802 22.517 -9.011 1.00 0.00 O ATOM 778 CG2 THR B 755 14.740 21.466 -9.991 1.00 0.00 C ATOM 0 H THR B 755 13.845 21.333 -7.315 1.00 0.00 H new ATOM 0 HA THR B 755 16.015 22.920 -8.192 1.00 0.00 H new ATOM 0 HB THR B 755 14.291 23.569 -9.967 1.00 0.00 H new ATOM 0 HG1 THR B 755 12.656 22.611 -8.047 1.00 0.00 H new ATOM 0 HG21 THR B 755 14.192 21.283 -10.915 1.00 0.00 H new ATOM 0 HG22 THR B 755 15.795 21.620 -10.219 1.00 0.00 H new ATOM 0 HG23 THR B 755 14.634 20.606 -9.329 1.00 0.00 H new ATOM 786 N ASN B 756 13.542 24.478 -6.727 1.00 0.00 N ATOM 787 CA ASN B 756 13.129 25.770 -6.188 1.00 0.00 C ATOM 788 C ASN B 756 14.206 26.342 -5.271 1.00 0.00 C ATOM 789 O ASN B 756 14.503 27.536 -5.313 1.00 0.00 O ATOM 790 CB ASN B 756 11.823 25.616 -5.403 1.00 0.00 C ATOM 791 CG ASN B 756 11.386 26.965 -4.839 1.00 0.00 C ATOM 792 OD1 ASN B 756 12.166 27.917 -4.824 1.00 0.00 O ATOM 793 ND2 ASN B 756 10.175 27.103 -4.370 1.00 0.00 N ATOM 0 H ASN B 756 12.945 23.694 -6.462 1.00 0.00 H new ATOM 0 HA ASN B 756 12.976 26.455 -7.022 1.00 0.00 H new ATOM 0 HB2 ASN B 756 11.045 25.216 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN B 756 11.960 24.901 -4.592 1.00 0.00 H new ATOM 0 HD21 ASN B 756 9.874 28.001 -3.991 1.00 0.00 H new ATOM 0 HD22 ASN B 756 9.530 26.313 -4.383 1.00 0.00 H new ATOM 800 N ILE B 757 14.783 25.483 -4.437 1.00 0.00 N ATOM 801 CA ILE B 757 15.824 25.905 -3.496 1.00 0.00 C ATOM 802 C ILE B 757 17.202 25.743 -4.125 1.00 0.00 C ATOM 803 O ILE B 757 18.020 26.664 -4.110 1.00 0.00 O ATOM 804 CB ILE B 757 15.726 25.073 -2.184 1.00 0.00 C ATOM 805 CG1 ILE B 757 14.747 23.917 -2.385 1.00 0.00 C ATOM 806 CG2 ILE B 757 15.231 25.958 -1.029 1.00 0.00 C ATOM 807 CD1 ILE B 757 14.693 23.060 -1.119 1.00 0.00 C ATOM 0 H ILE B 757 14.550 24.491 -4.391 1.00 0.00 H new ATOM 0 HA ILE B 757 15.675 26.958 -3.255 1.00 0.00 H new ATOM 0 HB ILE B 757 16.714 24.684 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE B 757 13.755 24.304 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE B 757 15.057 23.309 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE B 757 15.167 25.364 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE B 757 15.928 26.782 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE B 757 14.246 26.357 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE B 757 13.994 22.237 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE B 757 15.685 22.660 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE B 757 14.362 23.671 -0.280 1.00 0.00 H new ATOM 819 N THR B 758 17.446 24.569 -4.667 1.00 0.00 N ATOM 820 CA THR B 758 18.726 24.282 -5.292 1.00 0.00 C ATOM 821 C THR B 758 18.968 25.215 -6.465 1.00 0.00 C ATOM 822 O THR B 758 20.070 25.735 -6.641 1.00 0.00 O ATOM 823 CB THR B 758 18.779 22.827 -5.763 1.00 0.00 C ATOM 824 OG1 THR B 758 18.319 21.976 -4.720 1.00 0.00 O ATOM 825 CG2 THR B 758 20.222 22.451 -6.127 1.00 0.00 C ATOM 0 H THR B 758 16.779 23.798 -4.689 1.00 0.00 H new ATOM 0 HA THR B 758 19.509 24.440 -4.551 1.00 0.00 H new ATOM 0 HB THR B 758 18.143 22.709 -6.641 1.00 0.00 H new ATOM 0 HG1 THR B 758 18.276 21.053 -5.046 1.00 0.00 H new ATOM 0 HG21 THR B 758 20.254 21.414 -6.462 1.00 0.00 H new ATOM 0 HG22 THR B 758 20.577 23.102 -6.926 1.00 0.00 H new ATOM 0 HG23 THR B 758 20.861 22.570 -5.252 1.00 0.00 H new