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 Single : B 712 CYS SG : rot 180:sc= 0 USER MOD Single : B 716 LYS NZ :NH3+ -161:sc= -0.0382 (180deg=-0.403) USER MOD Single : B 720 THR OG1 : rot 77:sc= 0.227 USER MOD Single : B 722 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 725 LYS NZ :NH3+ -165:sc= -0.0102 (180deg=-0.289) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN : amide:sc= -3.7! C(o=-3.7!,f=-8.9!) 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 -6:sc= 0.633 USER MOD Single : B 752 SER OG : rot 76:sc= 0.415 USER MOD Single : B 753 THR OG1 : rot 67:sc= 0.171 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : B 756 ASN : amide:sc= -1.57! C(o=-1.6!,f=-4.1!) USER MOD Single : B 758 THR OG1 : rot 153:sc= -0.686! USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -2.319 -20.465 20.875 1.00 0.00 N ATOM 13 CA PRO B 710 -3.586 -21.018 20.308 1.00 0.00 C ATOM 14 C PRO B 710 -3.525 -21.138 18.784 1.00 0.00 C ATOM 15 O PRO B 710 -3.832 -20.190 18.062 1.00 0.00 O ATOM 16 CB PRO B 710 -4.653 -20.004 20.754 1.00 0.00 C ATOM 17 CG PRO B 710 -3.915 -18.713 20.923 1.00 0.00 C ATOM 18 CD PRO B 710 -2.492 -19.084 21.361 1.00 0.00 C ATOM 0 HA PRO B 710 -3.793 -22.030 20.656 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -5.445 -19.911 20.010 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -5.126 -20.313 21.686 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -3.900 -18.149 19.990 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -4.400 -18.083 21.669 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -1.752 -18.412 20.926 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -2.379 -19.025 22.444 1.00 0.00 H new ATOM 26 N GLU B 711 -3.129 -22.312 18.306 1.00 0.00 N ATOM 27 CA GLU B 711 -3.032 -22.546 16.872 1.00 0.00 C ATOM 28 C GLU B 711 -4.414 -22.469 16.228 1.00 0.00 C ATOM 29 O GLU B 711 -4.552 -22.030 15.087 1.00 0.00 O ATOM 30 CB GLU B 711 -2.419 -23.920 16.606 1.00 0.00 C ATOM 31 CG GLU B 711 -0.959 -23.922 17.062 1.00 0.00 C ATOM 32 CD GLU B 711 -0.360 -25.313 16.883 1.00 0.00 C ATOM 33 OE1 GLU B 711 -1.087 -26.201 16.471 1.00 0.00 O ATOM 34 OE2 GLU B 711 0.817 -25.470 17.164 1.00 0.00 O ATOM 0 H GLU B 711 -2.872 -23.111 18.886 1.00 0.00 H new ATOM 0 HA GLU B 711 -2.394 -21.777 16.437 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -2.979 -24.689 17.138 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -2.480 -24.158 15.544 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -0.388 -23.194 16.486 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -0.895 -23.621 18.108 1.00 0.00 H new ATOM 41 N CYS B 712 -5.432 -22.899 16.967 1.00 0.00 N ATOM 42 CA CYS B 712 -6.795 -22.873 16.453 1.00 0.00 C ATOM 43 C CYS B 712 -7.220 -21.444 16.150 1.00 0.00 C ATOM 44 O CYS B 712 -7.855 -21.179 15.129 1.00 0.00 O ATOM 45 CB CYS B 712 -7.752 -23.481 17.481 1.00 0.00 C ATOM 46 SG CYS B 712 -7.390 -25.243 17.675 1.00 0.00 S ATOM 0 H CYS B 712 -5.340 -23.266 17.914 1.00 0.00 H new ATOM 0 HA CYS B 712 -6.829 -23.457 15.533 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -7.647 -22.970 18.438 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -8.784 -23.344 17.158 1.00 0.00 H new ATOM 0 HG CYS B 712 -8.201 -25.759 18.550 1.00 0.00 H new ATOM 52 N LEU B 713 -6.866 -20.524 17.039 1.00 0.00 N ATOM 53 CA LEU B 713 -7.222 -19.125 16.845 1.00 0.00 C ATOM 54 C LEU B 713 -6.549 -18.573 15.594 1.00 0.00 C ATOM 55 O LEU B 713 -7.171 -17.861 14.806 1.00 0.00 O ATOM 56 CB LEU B 713 -6.798 -18.296 18.064 1.00 0.00 C ATOM 57 CG LEU B 713 -7.137 -16.809 17.847 1.00 0.00 C ATOM 58 CD1 LEU B 713 -8.642 -16.639 17.572 1.00 0.00 C ATOM 59 CD2 LEU B 713 -6.744 -16.017 19.101 1.00 0.00 C ATOM 0 H LEU B 713 -6.339 -20.718 17.891 1.00 0.00 H new ATOM 0 HA LEU B 713 -8.303 -19.060 16.725 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -7.304 -18.664 18.956 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -5.728 -18.410 18.235 1.00 0.00 H new ATOM 0 HG LEU B 713 -6.583 -16.435 16.986 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -8.867 -15.583 17.421 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -8.914 -17.200 16.678 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -9.212 -17.013 18.423 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -6.981 -14.963 18.955 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -7.297 -16.398 19.960 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -5.674 -16.127 19.280 1.00 0.00 H new ATOM 71 N ILE B 714 -5.272 -18.898 15.425 1.00 0.00 N ATOM 72 CA ILE B 714 -4.523 -18.416 14.273 1.00 0.00 C ATOM 73 C ILE B 714 -5.116 -18.973 12.983 1.00 0.00 C ATOM 74 O ILE B 714 -5.272 -18.251 11.998 1.00 0.00 O ATOM 75 CB ILE B 714 -3.054 -18.836 14.395 1.00 0.00 C ATOM 76 CG1 ILE B 714 -2.412 -18.098 15.574 1.00 0.00 C ATOM 77 CG2 ILE B 714 -2.304 -18.481 13.105 1.00 0.00 C ATOM 78 CD1 ILE B 714 -1.053 -18.729 15.889 1.00 0.00 C ATOM 0 H ILE B 714 -4.739 -19.487 16.065 1.00 0.00 H new ATOM 0 HA ILE B 714 -4.585 -17.328 14.245 1.00 0.00 H new ATOM 0 HB ILE B 714 -2.999 -19.912 14.560 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -2.288 -17.042 15.333 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -3.061 -18.151 16.448 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -1.260 -18.781 13.197 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -2.760 -19.003 12.264 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -2.359 -17.405 12.937 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -0.594 -18.205 16.728 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -1.191 -19.779 16.148 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -0.405 -18.653 15.016 1.00 0.00 H new ATOM 90 N TRP B 715 -5.437 -20.261 12.996 1.00 0.00 N ATOM 91 CA TRP B 715 -6.005 -20.906 11.820 1.00 0.00 C ATOM 92 C TRP B 715 -7.359 -20.296 11.472 1.00 0.00 C ATOM 93 O TRP B 715 -7.621 -19.956 10.319 1.00 0.00 O ATOM 94 CB TRP B 715 -6.170 -22.405 12.078 1.00 0.00 C ATOM 95 CG TRP B 715 -6.516 -23.095 10.799 1.00 0.00 C ATOM 96 CD1 TRP B 715 -5.688 -23.219 9.737 1.00 0.00 C ATOM 97 CD2 TRP B 715 -7.758 -23.763 10.430 1.00 0.00 C ATOM 98 NE1 TRP B 715 -6.343 -23.914 8.737 1.00 0.00 N ATOM 99 CE2 TRP B 715 -7.622 -24.274 9.117 1.00 0.00 C ATOM 100 CE3 TRP B 715 -8.977 -23.975 11.099 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -8.657 -24.967 8.490 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -10.021 -24.673 10.472 1.00 0.00 C ATOM 103 CH2 TRP B 715 -9.862 -25.168 9.169 1.00 0.00 C ATOM 0 H TRP B 715 -5.315 -20.875 13.801 1.00 0.00 H new ATOM 0 HA TRP B 715 -5.326 -20.752 10.981 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -5.249 -22.818 12.489 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -6.952 -22.574 12.818 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -4.679 -22.837 9.679 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -5.932 -24.134 7.830 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -9.111 -23.598 12.102 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -8.528 -25.346 7.487 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -10.952 -24.830 10.996 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -10.669 -25.703 8.691 1.00 0.00 H new ATOM 114 N LYS B 716 -8.213 -20.156 12.480 1.00 0.00 N ATOM 115 CA LYS B 716 -9.538 -19.587 12.271 1.00 0.00 C ATOM 116 C LYS B 716 -9.424 -18.153 11.775 1.00 0.00 C ATOM 117 O LYS B 716 -10.225 -17.703 10.955 1.00 0.00 O ATOM 118 CB LYS B 716 -10.334 -19.615 13.580 1.00 0.00 C ATOM 119 CG LYS B 716 -11.762 -19.131 13.321 1.00 0.00 C ATOM 120 CD LYS B 716 -12.577 -19.231 14.612 1.00 0.00 C ATOM 121 CE LYS B 716 -14.014 -18.779 14.343 1.00 0.00 C ATOM 122 NZ LYS B 716 -14.023 -17.327 14.005 1.00 0.00 N ATOM 0 H LYS B 716 -8.013 -20.427 13.443 1.00 0.00 H new ATOM 0 HA LYS B 716 -10.057 -20.183 11.521 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -10.350 -20.626 13.987 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -9.853 -18.980 14.324 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -11.749 -18.101 12.965 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -12.225 -19.732 12.539 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -12.570 -20.257 14.981 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -12.128 -18.610 15.387 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -14.441 -19.357 13.523 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -14.635 -18.963 15.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -14.982 -16.946 14.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -13.361 -16.822 14.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -13.733 -17.199 13.014 1.00 0.00 H new ATOM 136 N LEU B 717 -8.426 -17.439 12.277 1.00 0.00 N ATOM 137 CA LEU B 717 -8.221 -16.054 11.876 1.00 0.00 C ATOM 138 C LEU B 717 -7.928 -15.975 10.386 1.00 0.00 C ATOM 139 O LEU B 717 -8.401 -15.074 9.695 1.00 0.00 O ATOM 140 CB LEU B 717 -7.059 -15.436 12.665 1.00 0.00 C ATOM 141 CG LEU B 717 -6.810 -13.987 12.203 1.00 0.00 C ATOM 142 CD1 LEU B 717 -8.091 -13.150 12.358 1.00 0.00 C ATOM 143 CD2 LEU B 717 -5.684 -13.378 13.048 1.00 0.00 C ATOM 0 H LEU B 717 -7.751 -17.791 12.956 1.00 0.00 H new ATOM 0 HA LEU B 717 -9.132 -15.495 12.090 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -7.286 -15.451 13.731 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -6.157 -16.031 12.522 1.00 0.00 H new ATOM 0 HG LEU B 717 -6.522 -13.988 11.152 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -7.901 -12.129 12.028 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -8.885 -13.585 11.752 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -8.396 -13.142 13.404 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -5.502 -12.352 12.727 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -5.974 -13.383 14.099 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -4.775 -13.965 12.920 1.00 0.00 H new ATOM 155 N LEU B 718 -7.137 -16.917 9.899 1.00 0.00 N ATOM 156 CA LEU B 718 -6.776 -16.936 8.492 1.00 0.00 C ATOM 157 C LEU B 718 -8.013 -17.094 7.621 1.00 0.00 C ATOM 158 O LEU B 718 -8.137 -16.445 6.584 1.00 0.00 O ATOM 159 CB LEU B 718 -5.802 -18.083 8.224 1.00 0.00 C ATOM 160 CG LEU B 718 -5.442 -18.144 6.710 1.00 0.00 C ATOM 161 CD1 LEU B 718 -3.943 -18.413 6.532 1.00 0.00 C ATOM 162 CD2 LEU B 718 -6.233 -19.268 6.016 1.00 0.00 C ATOM 0 H LEU B 718 -6.735 -17.673 10.453 1.00 0.00 H new ATOM 0 HA LEU B 718 -6.298 -15.988 8.244 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -4.896 -17.946 8.815 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -6.247 -19.028 8.537 1.00 0.00 H new ATOM 0 HG LEU B 718 -5.700 -17.185 6.261 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -3.704 -18.453 5.469 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -3.371 -17.613 7.002 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -3.686 -19.364 6.998 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -5.971 -19.298 4.958 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -5.988 -20.224 6.478 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -7.301 -19.078 6.119 1.00 0.00 H new ATOM 174 N ILE B 719 -8.921 -17.962 8.046 1.00 0.00 N ATOM 175 CA ILE B 719 -10.146 -18.200 7.291 1.00 0.00 C ATOM 176 C ILE B 719 -10.970 -16.919 7.203 1.00 0.00 C ATOM 177 O ILE B 719 -11.490 -16.575 6.141 1.00 0.00 O ATOM 178 CB ILE B 719 -10.971 -19.295 7.966 1.00 0.00 C ATOM 179 CG1 ILE B 719 -10.113 -20.552 8.124 1.00 0.00 C ATOM 180 CG2 ILE B 719 -12.196 -19.621 7.109 1.00 0.00 C ATOM 181 CD1 ILE B 719 -10.874 -21.597 8.943 1.00 0.00 C ATOM 0 H ILE B 719 -8.835 -18.510 8.902 1.00 0.00 H new ATOM 0 HA ILE B 719 -9.878 -18.520 6.284 1.00 0.00 H new ATOM 0 HB ILE B 719 -11.298 -18.948 8.946 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -9.861 -20.957 7.144 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -9.174 -20.303 8.617 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -12.782 -20.402 7.594 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -12.808 -18.727 6.994 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -11.872 -19.967 6.127 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -10.260 -22.491 9.053 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -11.104 -21.191 9.928 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -11.801 -21.855 8.432 1.00 0.00 H new ATOM 193 N THR B 720 -11.090 -16.221 8.327 1.00 0.00 N ATOM 194 CA THR B 720 -11.855 -14.980 8.364 1.00 0.00 C ATOM 195 C THR B 720 -11.241 -13.943 7.429 1.00 0.00 C ATOM 196 O THR B 720 -11.950 -13.268 6.685 1.00 0.00 O ATOM 197 CB THR B 720 -11.886 -14.427 9.792 1.00 0.00 C ATOM 198 OG1 THR B 720 -12.266 -15.463 10.689 1.00 0.00 O ATOM 199 CG2 THR B 720 -12.897 -13.282 9.875 1.00 0.00 C ATOM 0 H THR B 720 -10.671 -16.490 9.217 1.00 0.00 H new ATOM 0 HA THR B 720 -12.872 -15.193 8.034 1.00 0.00 H new ATOM 0 HB THR B 720 -10.897 -14.056 10.061 1.00 0.00 H new ATOM 0 HG1 THR B 720 -11.503 -16.059 10.842 1.00 0.00 H new ATOM 0 HG21 THR B 720 -12.919 -12.889 10.891 1.00 0.00 H new ATOM 0 HG22 THR B 720 -12.607 -12.489 9.185 1.00 0.00 H new ATOM 0 HG23 THR B 720 -13.887 -13.651 9.607 1.00 0.00 H new ATOM 207 N ILE B 721 -9.917 -13.821 7.472 1.00 0.00 N ATOM 208 CA ILE B 721 -9.222 -12.860 6.623 1.00 0.00 C ATOM 209 C ILE B 721 -9.426 -13.202 5.149 1.00 0.00 C ATOM 210 O ILE B 721 -9.679 -12.322 4.326 1.00 0.00 O ATOM 211 CB ILE B 721 -7.725 -12.863 6.952 1.00 0.00 C ATOM 212 CG1 ILE B 721 -7.514 -12.298 8.359 1.00 0.00 C ATOM 213 CG2 ILE B 721 -6.969 -11.996 5.941 1.00 0.00 C ATOM 214 CD1 ILE B 721 -6.075 -12.566 8.807 1.00 0.00 C ATOM 0 H ILE B 721 -9.309 -14.370 8.080 1.00 0.00 H new ATOM 0 HA ILE B 721 -9.633 -11.868 6.812 1.00 0.00 H new ATOM 0 HB ILE B 721 -7.349 -13.885 6.904 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -7.715 -11.227 8.366 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -8.215 -12.758 9.056 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -5.906 -12.002 6.180 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -7.118 -12.394 4.937 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -7.345 -10.974 5.985 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -5.925 -12.164 9.809 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -5.891 -13.640 8.816 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -5.383 -12.085 8.115 1.00 0.00 H new ATOM 226 N HIS B 722 -9.316 -14.485 4.825 1.00 0.00 N ATOM 227 CA HIS B 722 -9.490 -14.935 3.449 1.00 0.00 C ATOM 228 C HIS B 722 -10.896 -14.613 2.955 1.00 0.00 C ATOM 229 O HIS B 722 -11.092 -14.264 1.791 1.00 0.00 O ATOM 230 CB HIS B 722 -9.241 -16.440 3.354 1.00 0.00 C ATOM 231 CG HIS B 722 -9.409 -16.886 1.926 1.00 0.00 C ATOM 232 ND1 HIS B 722 -8.433 -16.675 0.965 1.00 0.00 N ATOM 233 CD2 HIS B 722 -10.435 -17.531 1.283 1.00 0.00 C ATOM 234 CE1 HIS B 722 -8.889 -17.185 -0.194 1.00 0.00 C ATOM 235 NE2 HIS B 722 -10.106 -17.719 -0.055 1.00 0.00 N ATOM 0 H HIS B 722 -9.108 -15.228 5.492 1.00 0.00 H new ATOM 0 HA HIS B 722 -8.769 -14.411 2.821 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -8.236 -16.676 3.704 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -9.938 -16.976 3.998 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -11.359 -17.845 1.746 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -8.339 -17.165 -1.123 1.00 0.00 H new ATOM 0 HE2 HIS B 722 -10.672 -18.168 -0.775 1.00 0.00 H new ATOM 244 N ASP B 723 -11.874 -14.738 3.849 1.00 0.00 N ATOM 245 CA ASP B 723 -13.261 -14.462 3.493 1.00 0.00 C ATOM 246 C ASP B 723 -13.467 -12.970 3.255 1.00 0.00 C ATOM 247 O ASP B 723 -14.262 -12.574 2.404 1.00 0.00 O ATOM 248 CB ASP B 723 -14.190 -14.935 4.613 1.00 0.00 C ATOM 249 CG ASP B 723 -14.242 -16.459 4.638 1.00 0.00 C ATOM 250 OD1 ASP B 723 -13.728 -17.065 3.712 1.00 0.00 O ATOM 251 OD2 ASP B 723 -14.795 -16.997 5.583 1.00 0.00 O ATOM 0 H ASP B 723 -11.733 -15.026 4.817 1.00 0.00 H new ATOM 0 HA ASP B 723 -13.495 -15.000 2.574 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -13.837 -14.559 5.573 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -15.191 -14.531 4.461 1.00 0.00 H new ATOM 256 N ARG B 724 -12.746 -12.146 4.008 1.00 0.00 N ATOM 257 CA ARG B 724 -12.862 -10.701 3.862 1.00 0.00 C ATOM 258 C ARG B 724 -12.161 -10.235 2.590 1.00 0.00 C ATOM 259 O ARG B 724 -10.971 -10.485 2.394 1.00 0.00 O ATOM 260 CB ARG B 724 -12.245 -10.002 5.075 1.00 0.00 C ATOM 261 CG ARG B 724 -13.114 -10.255 6.310 1.00 0.00 C ATOM 262 CD ARG B 724 -12.447 -9.636 7.539 1.00 0.00 C ATOM 263 NE ARG B 724 -12.373 -8.184 7.393 1.00 0.00 N ATOM 264 CZ ARG B 724 -13.388 -7.400 7.752 1.00 0.00 C ATOM 265 NH1 ARG B 724 -14.475 -7.925 8.245 1.00 0.00 N ATOM 266 NH2 ARG B 724 -13.295 -6.105 7.609 1.00 0.00 N ATOM 0 H ARG B 724 -12.081 -12.451 4.719 1.00 0.00 H new ATOM 0 HA ARG B 724 -13.919 -10.444 3.796 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -11.235 -10.373 5.246 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -12.164 -8.931 4.888 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -14.105 -9.824 6.165 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -13.251 -11.326 6.458 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -13.012 -9.891 8.436 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -11.446 -10.048 7.665 1.00 0.00 H new ATOM 0 HE ARG B 724 -11.527 -7.763 7.009 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -14.548 -8.936 8.356 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -15.252 -7.324 8.520 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -12.445 -5.694 7.222 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -14.072 -5.504 7.884 1.00 0.00 H new ATOM 280 N LYS B 725 -12.909 -9.551 1.732 1.00 0.00 N ATOM 281 CA LYS B 725 -12.362 -9.044 0.479 1.00 0.00 C ATOM 282 C LYS B 725 -11.525 -7.793 0.723 1.00 0.00 C ATOM 283 O LYS B 725 -10.710 -7.407 -0.113 1.00 0.00 O ATOM 284 CB LYS B 725 -13.493 -8.723 -0.500 1.00 0.00 C ATOM 285 CG LYS B 725 -14.188 -10.021 -0.917 1.00 0.00 C ATOM 286 CD LYS B 725 -15.353 -9.698 -1.853 1.00 0.00 C ATOM 287 CE LYS B 725 -16.099 -10.986 -2.204 1.00 0.00 C ATOM 288 NZ LYS B 725 -15.218 -11.865 -3.024 1.00 0.00 N ATOM 0 H LYS B 725 -13.895 -9.335 1.881 1.00 0.00 H new ATOM 0 HA LYS B 725 -11.723 -9.816 0.050 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -14.210 -8.047 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -13.096 -8.212 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -13.479 -10.681 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -14.551 -10.551 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -16.031 -8.991 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -14.983 -9.221 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -16.400 -11.504 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -17.010 -10.752 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -15.790 -12.609 -3.472 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -14.750 -11.298 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -14.499 -12.302 -2.413 1.00 0.00 H new ATOM 302 N GLU B 726 -11.741 -7.155 1.870 1.00 0.00 N ATOM 303 CA GLU B 726 -11.007 -5.940 2.204 1.00 0.00 C ATOM 304 C GLU B 726 -9.503 -6.202 2.192 1.00 0.00 C ATOM 305 O GLU B 726 -8.732 -5.400 1.666 1.00 0.00 O ATOM 306 CB GLU B 726 -11.429 -5.441 3.589 1.00 0.00 C ATOM 307 CG GLU B 726 -12.880 -4.956 3.541 1.00 0.00 C ATOM 308 CD GLU B 726 -13.326 -4.509 4.929 1.00 0.00 C ATOM 309 OE1 GLU B 726 -12.500 -4.518 5.827 1.00 0.00 O ATOM 310 OE2 GLU B 726 -14.488 -4.164 5.074 1.00 0.00 O ATOM 0 H GLU B 726 -12.412 -7.456 2.577 1.00 0.00 H new ATOM 0 HA GLU B 726 -11.238 -5.180 1.457 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -11.327 -6.242 4.322 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -10.775 -4.630 3.909 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -12.973 -4.130 2.836 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -13.528 -5.756 3.182 1.00 0.00 H new ATOM 317 N PHE B 727 -9.092 -7.330 2.763 1.00 0.00 N ATOM 318 CA PHE B 727 -7.682 -7.684 2.796 1.00 0.00 C ATOM 319 C PHE B 727 -7.164 -7.958 1.386 1.00 0.00 C ATOM 320 O PHE B 727 -6.040 -7.590 1.044 1.00 0.00 O ATOM 321 CB PHE B 727 -7.484 -8.923 3.675 1.00 0.00 C ATOM 322 CG PHE B 727 -7.569 -8.534 5.132 1.00 0.00 C ATOM 323 CD1 PHE B 727 -8.814 -8.424 5.760 1.00 0.00 C ATOM 324 CD2 PHE B 727 -6.396 -8.279 5.851 1.00 0.00 C ATOM 325 CE1 PHE B 727 -8.886 -8.059 7.110 1.00 0.00 C ATOM 326 CE2 PHE B 727 -6.467 -7.915 7.200 1.00 0.00 C ATOM 327 CZ PHE B 727 -7.712 -7.804 7.830 1.00 0.00 C ATOM 0 H PHE B 727 -9.712 -8.008 3.205 1.00 0.00 H new ATOM 0 HA PHE B 727 -7.120 -6.849 3.214 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -8.243 -9.670 3.443 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -6.516 -9.378 3.466 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -9.719 -8.620 5.204 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -5.436 -8.363 5.364 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -9.847 -7.974 7.596 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -5.561 -7.720 7.755 1.00 0.00 H new ATOM 0 HZ PHE B 727 -7.767 -7.522 8.871 1.00 0.00 H new ATOM 337 N ALA B 728 -7.989 -8.610 0.575 1.00 0.00 N ATOM 338 CA ALA B 728 -7.599 -8.932 -0.792 1.00 0.00 C ATOM 339 C ALA B 728 -7.218 -7.667 -1.549 1.00 0.00 C ATOM 340 O ALA B 728 -6.202 -7.632 -2.243 1.00 0.00 O ATOM 341 CB ALA B 728 -8.753 -9.633 -1.511 1.00 0.00 C ATOM 0 H ALA B 728 -8.924 -8.923 0.837 1.00 0.00 H new ATOM 0 HA ALA B 728 -6.735 -9.596 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -8.455 -9.871 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -9.005 -10.553 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -9.622 -8.976 -1.531 1.00 0.00 H new ATOM 347 N LYS B 729 -8.035 -6.629 -1.414 1.00 0.00 N ATOM 348 CA LYS B 729 -7.767 -5.367 -2.095 1.00 0.00 C ATOM 349 C LYS B 729 -6.463 -4.751 -1.596 1.00 0.00 C ATOM 350 O LYS B 729 -5.655 -4.262 -2.386 1.00 0.00 O ATOM 351 CB LYS B 729 -8.921 -4.391 -1.855 1.00 0.00 C ATOM 352 CG LYS B 729 -10.180 -4.907 -2.555 1.00 0.00 C ATOM 353 CD LYS B 729 -11.333 -3.931 -2.315 1.00 0.00 C ATOM 354 CE LYS B 729 -12.594 -4.449 -3.008 1.00 0.00 C ATOM 355 NZ LYS B 729 -13.714 -3.492 -2.782 1.00 0.00 N ATOM 0 H LYS B 729 -8.881 -6.635 -0.845 1.00 0.00 H new ATOM 0 HA LYS B 729 -7.673 -5.565 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -9.104 -4.284 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -8.660 -3.403 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -9.997 -5.014 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -10.441 -5.895 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -11.513 -3.820 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -11.074 -2.944 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -12.412 -4.567 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -12.858 -5.432 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -14.572 -3.844 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -13.892 -3.401 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -13.461 -2.562 -3.174 1.00 0.00 H new ATOM 369 N PHE B 730 -6.260 -4.784 -0.281 1.00 0.00 N ATOM 370 CA PHE B 730 -5.051 -4.235 0.315 1.00 0.00 C ATOM 371 C PHE B 730 -3.819 -4.961 -0.209 1.00 0.00 C ATOM 372 O PHE B 730 -2.806 -4.339 -0.527 1.00 0.00 O ATOM 373 CB PHE B 730 -5.119 -4.356 1.836 1.00 0.00 C ATOM 374 CG PHE B 730 -3.838 -3.830 2.437 1.00 0.00 C ATOM 375 CD1 PHE B 730 -3.585 -2.454 2.444 1.00 0.00 C ATOM 376 CD2 PHE B 730 -2.904 -4.718 2.983 1.00 0.00 C ATOM 377 CE1 PHE B 730 -2.397 -1.966 2.998 1.00 0.00 C ATOM 378 CE2 PHE B 730 -1.717 -4.229 3.537 1.00 0.00 C ATOM 379 CZ PHE B 730 -1.462 -2.853 3.545 1.00 0.00 C ATOM 0 H PHE B 730 -6.917 -5.185 0.388 1.00 0.00 H new ATOM 0 HA PHE B 730 -4.976 -3.182 0.042 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -5.971 -3.795 2.219 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -5.268 -5.397 2.123 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -4.306 -1.770 2.022 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -3.100 -5.780 2.976 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -2.201 -0.904 3.004 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -0.996 -4.914 3.959 1.00 0.00 H new ATOM 0 HZ PHE B 730 -0.545 -2.476 3.973 1.00 0.00 H new ATOM 389 N GLU B 731 -3.911 -6.285 -0.291 1.00 0.00 N ATOM 390 CA GLU B 731 -2.794 -7.088 -0.774 1.00 0.00 C ATOM 391 C GLU B 731 -2.374 -6.645 -2.173 1.00 0.00 C ATOM 392 O GLU B 731 -1.184 -6.516 -2.458 1.00 0.00 O ATOM 393 CB GLU B 731 -3.192 -8.561 -0.801 1.00 0.00 C ATOM 394 CG GLU B 731 -3.246 -9.105 0.625 1.00 0.00 C ATOM 395 CD GLU B 731 -1.842 -9.173 1.223 1.00 0.00 C ATOM 396 OE1 GLU B 731 -0.976 -9.751 0.586 1.00 0.00 O ATOM 397 OE2 GLU B 731 -1.656 -8.648 2.308 1.00 0.00 O ATOM 0 H GLU B 731 -4.740 -6.820 -0.032 1.00 0.00 H new ATOM 0 HA GLU B 731 -1.951 -6.949 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -4.163 -8.677 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -2.474 -9.131 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -3.880 -8.467 1.241 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -3.697 -10.097 0.626 1.00 0.00 H new ATOM 404 N GLU B 732 -3.353 -6.412 -3.039 1.00 0.00 N ATOM 405 CA GLU B 732 -3.064 -5.985 -4.401 1.00 0.00 C ATOM 406 C GLU B 732 -2.369 -4.626 -4.399 1.00 0.00 C ATOM 407 O GLU B 732 -1.450 -4.386 -5.182 1.00 0.00 O ATOM 408 CB GLU B 732 -4.363 -5.894 -5.201 1.00 0.00 C ATOM 409 CG GLU B 732 -4.974 -7.287 -5.336 1.00 0.00 C ATOM 410 CD GLU B 732 -6.270 -7.213 -6.139 1.00 0.00 C ATOM 411 OE1 GLU B 732 -6.619 -6.123 -6.563 1.00 0.00 O ATOM 412 OE2 GLU B 732 -6.892 -8.246 -6.319 1.00 0.00 O ATOM 0 H GLU B 732 -4.345 -6.511 -2.824 1.00 0.00 H new ATOM 0 HA GLU B 732 -2.402 -6.718 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU B 732 -5.064 -5.224 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU B 732 -4.167 -5.474 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU B 732 -4.269 -7.956 -5.829 1.00 0.00 H new ATOM 0 HG3 GLU B 732 -5.172 -7.704 -4.348 1.00 0.00 H new ATOM 419 N GLU B 733 -2.814 -3.740 -3.513 1.00 0.00 N ATOM 420 CA GLU B 733 -2.227 -2.408 -3.419 1.00 0.00 C ATOM 421 C GLU B 733 -0.770 -2.497 -2.979 1.00 0.00 C ATOM 422 O GLU B 733 0.071 -1.713 -3.421 1.00 0.00 O ATOM 423 CB GLU B 733 -3.015 -1.558 -2.420 1.00 0.00 C ATOM 424 CG GLU B 733 -4.407 -1.264 -2.983 1.00 0.00 C ATOM 425 CD GLU B 733 -5.235 -0.497 -1.957 1.00 0.00 C ATOM 426 OE1 GLU B 733 -4.707 -0.208 -0.896 1.00 0.00 O ATOM 427 OE2 GLU B 733 -6.385 -0.211 -2.248 1.00 0.00 O ATOM 0 H GLU B 733 -3.573 -3.918 -2.855 1.00 0.00 H new ATOM 0 HA GLU B 733 -2.270 -1.941 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -3.100 -2.082 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -2.486 -0.625 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -4.321 -0.683 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -4.908 -2.197 -3.242 1.00 0.00 H new ATOM 434 N ARG B 734 -0.478 -3.454 -2.105 1.00 0.00 N ATOM 435 CA ARG B 734 0.882 -3.633 -1.611 1.00 0.00 C ATOM 436 C ARG B 734 1.825 -3.961 -2.762 1.00 0.00 C ATOM 437 O ARG B 734 2.935 -3.434 -2.839 1.00 0.00 O ATOM 438 CB ARG B 734 0.917 -4.764 -0.581 1.00 0.00 C ATOM 439 CG ARG B 734 2.325 -4.881 0.012 1.00 0.00 C ATOM 440 CD ARG B 734 2.353 -6.003 1.050 1.00 0.00 C ATOM 441 NE ARG B 734 3.639 -6.015 1.739 1.00 0.00 N ATOM 442 CZ ARG B 734 4.027 -7.069 2.448 1.00 0.00 C ATOM 443 NH1 ARG B 734 3.253 -8.116 2.538 1.00 0.00 N ATOM 444 NH2 ARG B 734 5.182 -7.058 3.055 1.00 0.00 N ATOM 0 H ARG B 734 -1.159 -4.113 -1.727 1.00 0.00 H new ATOM 0 HA ARG B 734 1.207 -2.705 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG B 734 0.194 -4.570 0.211 1.00 0.00 H new ATOM 0 HB3 ARG B 734 0.631 -5.705 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG B 734 3.047 -5.085 -0.778 1.00 0.00 H new ATOM 0 HG3 ARG B 734 2.616 -3.937 0.474 1.00 0.00 H new ATOM 0 HD2 ARG B 734 1.547 -5.863 1.770 1.00 0.00 H new ATOM 0 HD3 ARG B 734 2.183 -6.964 0.564 1.00 0.00 H new ATOM 0 HE ARG B 734 4.250 -5.201 1.675 1.00 0.00 H new ATOM 0 HH11 ARG B 734 2.350 -8.125 2.064 1.00 0.00 H new ATOM 0 HH12 ARG B 734 3.551 -8.925 3.083 1.00 0.00 H new ATOM 0 HH21 ARG B 734 5.787 -6.240 2.985 1.00 0.00 H new ATOM 0 HH22 ARG B 734 5.480 -7.868 3.599 1.00 0.00 H new ATOM 458 N ALA B 735 1.374 -4.835 -3.652 1.00 0.00 N ATOM 459 CA ALA B 735 2.186 -5.229 -4.797 1.00 0.00 C ATOM 460 C ALA B 735 2.501 -4.021 -5.672 1.00 0.00 C ATOM 461 O ALA B 735 3.597 -3.910 -6.221 1.00 0.00 O ATOM 462 CB ALA B 735 1.451 -6.284 -5.628 1.00 0.00 C ATOM 0 H ALA B 735 0.458 -5.282 -3.605 1.00 0.00 H new ATOM 0 HA ALA B 735 3.120 -5.649 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA B 735 2.067 -6.570 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA B 735 1.255 -7.161 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA B 735 0.507 -5.873 -5.985 1.00 0.00 H new ATOM 468 N ARG B 736 1.535 -3.116 -5.800 1.00 0.00 N ATOM 469 CA ARG B 736 1.724 -1.926 -6.610 1.00 0.00 C ATOM 470 C ARG B 736 2.819 -1.038 -6.024 1.00 0.00 C ATOM 471 O ARG B 736 3.606 -0.442 -6.758 1.00 0.00 O ATOM 472 CB ARG B 736 0.415 -1.143 -6.679 1.00 0.00 C ATOM 473 CG ARG B 736 -0.592 -1.904 -7.541 1.00 0.00 C ATOM 474 CD ARG B 736 -1.899 -1.115 -7.618 1.00 0.00 C ATOM 475 NE ARG B 736 -2.872 -1.834 -8.437 1.00 0.00 N ATOM 476 CZ ARG B 736 -3.677 -2.753 -7.908 1.00 0.00 C ATOM 477 NH1 ARG B 736 -3.602 -3.028 -6.636 1.00 0.00 N ATOM 478 NH2 ARG B 736 -4.537 -3.382 -8.662 1.00 0.00 N ATOM 0 H ARG B 736 0.620 -3.187 -5.355 1.00 0.00 H new ATOM 0 HA ARG B 736 2.026 -2.233 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG B 736 0.014 -0.997 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG B 736 0.593 -0.153 -7.098 1.00 0.00 H new ATOM 0 HG2 ARG B 736 -0.188 -2.056 -8.542 1.00 0.00 H new ATOM 0 HG3 ARG B 736 -0.776 -2.891 -7.118 1.00 0.00 H new ATOM 0 HD2 ARG B 736 -2.299 -0.960 -6.616 1.00 0.00 H new ATOM 0 HD3 ARG B 736 -1.713 -0.129 -8.043 1.00 0.00 H new ATOM 0 HE ARG B 736 -2.936 -1.628 -9.434 1.00 0.00 H new ATOM 0 HH11 ARG B 736 -2.927 -2.539 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG B 736 -4.218 -3.732 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG B 736 -4.593 -3.170 -9.658 1.00 0.00 H new ATOM 0 HH22 ARG B 736 -5.153 -4.086 -8.255 1.00 0.00 H new ATOM 598 N ASN B 744 10.743 5.085 -7.582 1.00 0.00 N ATOM 599 CA ASN B 744 12.089 5.417 -7.150 1.00 0.00 C ATOM 600 C ASN B 744 12.142 6.853 -6.603 1.00 0.00 C ATOM 601 O ASN B 744 11.395 7.720 -7.054 1.00 0.00 O ATOM 602 CB ASN B 744 13.073 5.266 -8.310 1.00 0.00 C ATOM 603 CG ASN B 744 12.826 6.344 -9.345 1.00 0.00 C ATOM 604 OD1 ASN B 744 11.843 7.073 -9.262 1.00 0.00 O ATOM 605 ND2 ASN B 744 13.666 6.488 -10.324 1.00 0.00 N ATOM 0 HA ASN B 744 12.372 4.728 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN B 744 14.096 5.333 -7.940 1.00 0.00 H new ATOM 0 HB3 ASN B 744 12.963 4.282 -8.765 1.00 0.00 H new ATOM 0 HD21 ASN B 744 13.510 7.209 -11.028 1.00 0.00 H new ATOM 0 HD22 ASN B 744 14.482 5.880 -10.389 1.00 0.00 H new ATOM 612 N PRO B 745 12.994 7.118 -5.642 1.00 0.00 N ATOM 613 CA PRO B 745 13.124 8.476 -5.035 1.00 0.00 C ATOM 614 C PRO B 745 13.209 9.574 -6.084 1.00 0.00 C ATOM 615 O PRO B 745 12.720 10.686 -5.884 1.00 0.00 O ATOM 616 CB PRO B 745 14.432 8.392 -4.235 1.00 0.00 C ATOM 617 CG PRO B 745 14.617 6.943 -3.917 1.00 0.00 C ATOM 618 CD PRO B 745 13.910 6.151 -5.022 1.00 0.00 C ATOM 0 HA PRO B 745 12.256 8.732 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO B 745 15.271 8.776 -4.815 1.00 0.00 H new ATOM 0 HB3 PRO B 745 14.374 8.989 -3.325 1.00 0.00 H new ATOM 0 HG2 PRO B 745 15.676 6.689 -3.877 1.00 0.00 H new ATOM 0 HG3 PRO B 745 14.195 6.705 -2.941 1.00 0.00 H new ATOM 0 HD2 PRO B 745 14.623 5.759 -5.747 1.00 0.00 H new ATOM 0 HD3 PRO B 745 13.369 5.297 -4.614 1.00 0.00 H new ATOM 626 N LEU B 746 13.833 9.252 -7.195 1.00 0.00 N ATOM 627 CA LEU B 746 13.984 10.217 -8.274 1.00 0.00 C ATOM 628 C LEU B 746 12.613 10.650 -8.785 1.00 0.00 C ATOM 629 O LEU B 746 12.423 11.797 -9.187 1.00 0.00 O ATOM 630 CB LEU B 746 14.801 9.603 -9.424 1.00 0.00 C ATOM 631 CG LEU B 746 16.297 9.718 -9.126 1.00 0.00 C ATOM 632 CD1 LEU B 746 16.610 8.962 -7.837 1.00 0.00 C ATOM 633 CD2 LEU B 746 17.096 9.111 -10.284 1.00 0.00 C ATOM 0 H LEU B 746 14.244 8.337 -7.380 1.00 0.00 H new ATOM 0 HA LEU B 746 14.513 11.090 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU B 746 14.528 8.556 -9.556 1.00 0.00 H new ATOM 0 HB3 LEU B 746 14.568 10.113 -10.359 1.00 0.00 H new ATOM 0 HG LEU B 746 16.570 10.767 -9.011 1.00 0.00 H new ATOM 0 HD11 LEU B 746 17.675 9.040 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU B 746 16.039 9.393 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU B 746 16.340 7.913 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU B 746 18.162 9.193 -10.073 1.00 0.00 H new ATOM 0 HD22 LEU B 746 16.828 8.061 -10.400 1.00 0.00 H new ATOM 0 HD23 LEU B 746 16.867 9.647 -11.205 1.00 0.00 H new ATOM 645 N TYR B 747 11.662 9.725 -8.775 1.00 0.00 N ATOM 646 CA TYR B 747 10.316 10.033 -9.250 1.00 0.00 C ATOM 647 C TYR B 747 9.679 11.122 -8.395 1.00 0.00 C ATOM 648 O TYR B 747 9.086 12.070 -8.910 1.00 0.00 O ATOM 649 CB TYR B 747 9.449 8.776 -9.204 1.00 0.00 C ATOM 650 CG TYR B 747 8.038 9.115 -9.616 1.00 0.00 C ATOM 651 CD1 TYR B 747 7.122 9.573 -8.665 1.00 0.00 C ATOM 652 CD2 TYR B 747 7.645 8.964 -10.953 1.00 0.00 C ATOM 653 CE1 TYR B 747 5.813 9.885 -9.048 1.00 0.00 C ATOM 654 CE2 TYR B 747 6.336 9.276 -11.336 1.00 0.00 C ATOM 655 CZ TYR B 747 5.420 9.736 -10.383 1.00 0.00 C ATOM 656 OH TYR B 747 4.129 10.044 -10.759 1.00 0.00 O ATOM 0 H TYR B 747 11.792 8.768 -8.448 1.00 0.00 H new ATOM 0 HA TYR B 747 10.387 10.391 -10.277 1.00 0.00 H new ATOM 0 HB2 TYR B 747 9.859 8.015 -9.868 1.00 0.00 H new ATOM 0 HB3 TYR B 747 9.453 8.356 -8.198 1.00 0.00 H new ATOM 0 HD1 TYR B 747 7.425 9.686 -7.634 1.00 0.00 H new ATOM 0 HD2 TYR B 747 8.352 8.607 -11.687 1.00 0.00 H new ATOM 0 HE1 TYR B 747 5.106 10.241 -8.313 1.00 0.00 H new ATOM 0 HE2 TYR B 747 6.033 9.162 -12.366 1.00 0.00 H new ATOM 0 HH TYR B 747 4.022 9.886 -11.720 1.00 0.00 H new ATOM 666 N LYS B 748 9.805 10.967 -7.088 1.00 0.00 N ATOM 667 CA LYS B 748 9.237 11.934 -6.151 1.00 0.00 C ATOM 668 C LYS B 748 9.897 13.295 -6.323 1.00 0.00 C ATOM 669 O LYS B 748 9.232 14.330 -6.294 1.00 0.00 O ATOM 670 CB LYS B 748 9.437 11.457 -4.713 1.00 0.00 C ATOM 671 CG LYS B 748 8.661 10.159 -4.508 1.00 0.00 C ATOM 672 CD LYS B 748 8.933 9.601 -3.103 1.00 0.00 C ATOM 673 CE LYS B 748 8.156 10.402 -2.049 1.00 0.00 C ATOM 674 NZ LYS B 748 8.193 9.675 -0.747 1.00 0.00 N ATOM 0 H LYS B 748 10.292 10.186 -6.649 1.00 0.00 H new ATOM 0 HA LYS B 748 8.171 12.023 -6.360 1.00 0.00 H new ATOM 0 HB2 LYS B 748 10.497 11.298 -4.513 1.00 0.00 H new ATOM 0 HB3 LYS B 748 9.091 12.217 -4.013 1.00 0.00 H new ATOM 0 HG2 LYS B 748 7.594 10.340 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS B 748 8.953 9.428 -5.262 1.00 0.00 H new ATOM 0 HD2 LYS B 748 8.642 8.552 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS B 748 10.001 9.645 -2.888 1.00 0.00 H new ATOM 0 HE2 LYS B 748 8.592 11.395 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS B 748 7.124 10.542 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 7.667 10.217 -0.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 7.758 8.737 -0.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 9.180 9.563 -0.440 1.00 0.00 H new ATOM 688 N GLU B 749 11.211 13.280 -6.501 1.00 0.00 N ATOM 689 CA GLU B 749 11.968 14.518 -6.675 1.00 0.00 C ATOM 690 C GLU B 749 11.533 15.236 -7.946 1.00 0.00 C ATOM 691 O GLU B 749 11.544 16.465 -8.013 1.00 0.00 O ATOM 692 CB GLU B 749 13.469 14.217 -6.743 1.00 0.00 C ATOM 693 CG GLU B 749 13.955 13.699 -5.387 1.00 0.00 C ATOM 694 CD GLU B 749 13.879 14.810 -4.344 1.00 0.00 C ATOM 695 OE1 GLU B 749 13.865 15.965 -4.737 1.00 0.00 O ATOM 696 OE2 GLU B 749 13.839 14.489 -3.167 1.00 0.00 O ATOM 0 H GLU B 749 11.775 12.431 -6.529 1.00 0.00 H new ATOM 0 HA GLU B 749 11.770 15.163 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU B 749 13.666 13.476 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU B 749 14.018 15.118 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU B 749 13.345 12.852 -5.073 1.00 0.00 H new ATOM 0 HG3 GLU B 749 14.980 13.339 -5.473 1.00 0.00 H new ATOM 703 N ALA B 750 11.151 14.461 -8.950 1.00 0.00 N ATOM 704 CA ALA B 750 10.714 15.031 -10.218 1.00 0.00 C ATOM 705 C ALA B 750 9.555 16.001 -10.002 1.00 0.00 C ATOM 706 O ALA B 750 9.567 17.120 -10.516 1.00 0.00 O ATOM 707 CB ALA B 750 10.275 13.917 -11.168 1.00 0.00 C ATOM 0 H ALA B 750 11.134 13.442 -8.913 1.00 0.00 H new ATOM 0 HA ALA B 750 11.551 15.575 -10.656 1.00 0.00 H new ATOM 0 HB1 ALA B 750 9.950 14.352 -12.113 1.00 0.00 H new ATOM 0 HB2 ALA B 750 11.111 13.242 -11.348 1.00 0.00 H new ATOM 0 HB3 ALA B 750 9.450 13.362 -10.721 1.00 0.00 H new ATOM 713 N THR B 751 8.556 15.569 -9.238 1.00 0.00 N ATOM 714 CA THR B 751 7.402 16.408 -8.962 1.00 0.00 C ATOM 715 C THR B 751 7.800 17.606 -8.106 1.00 0.00 C ATOM 716 O THR B 751 7.273 18.705 -8.274 1.00 0.00 O ATOM 717 CB THR B 751 6.337 15.587 -8.238 1.00 0.00 C ATOM 718 OG1 THR B 751 6.920 14.929 -7.121 1.00 0.00 O ATOM 719 CG2 THR B 751 5.745 14.552 -9.197 1.00 0.00 C ATOM 0 H THR B 751 8.525 14.647 -8.803 1.00 0.00 H new ATOM 0 HA THR B 751 7.002 16.776 -9.907 1.00 0.00 H new ATOM 0 HB THR B 751 5.544 16.249 -7.891 1.00 0.00 H new ATOM 0 HG1 THR B 751 7.889 15.074 -7.125 1.00 0.00 H new ATOM 0 HG21 THR B 751 4.985 13.968 -8.678 1.00 0.00 H new ATOM 0 HG22 THR B 751 5.292 15.061 -10.048 1.00 0.00 H new ATOM 0 HG23 THR B 751 6.535 13.889 -9.549 1.00 0.00 H new ATOM 727 N SER B 752 8.735 17.384 -7.188 1.00 0.00 N ATOM 728 CA SER B 752 9.199 18.451 -6.310 1.00 0.00 C ATOM 729 C SER B 752 9.788 19.596 -7.124 1.00 0.00 C ATOM 730 O SER B 752 9.654 20.764 -6.761 1.00 0.00 O ATOM 731 CB SER B 752 10.249 17.912 -5.337 1.00 0.00 C ATOM 732 OG SER B 752 9.737 16.756 -4.687 1.00 0.00 O ATOM 0 H SER B 752 9.184 16.481 -7.033 1.00 0.00 H new ATOM 0 HA SER B 752 8.346 18.827 -5.744 1.00 0.00 H new ATOM 0 HB2 SER B 752 11.166 17.666 -5.873 1.00 0.00 H new ATOM 0 HB3 SER B 752 10.505 18.674 -4.601 1.00 0.00 H new ATOM 0 HG SER B 752 9.769 15.994 -5.302 1.00 0.00 H new ATOM 738 N THR B 753 10.443 19.248 -8.224 1.00 0.00 N ATOM 739 CA THR B 753 11.058 20.254 -9.084 1.00 0.00 C ATOM 740 C THR B 753 10.002 21.179 -9.677 1.00 0.00 C ATOM 741 O THR B 753 10.160 22.394 -9.671 1.00 0.00 O ATOM 742 CB THR B 753 11.835 19.573 -10.214 1.00 0.00 C ATOM 743 OG1 THR B 753 12.885 18.792 -9.662 1.00 0.00 O ATOM 744 CG2 THR B 753 12.421 20.637 -11.146 1.00 0.00 C ATOM 0 H THR B 753 10.562 18.286 -8.541 1.00 0.00 H new ATOM 0 HA THR B 753 11.742 20.848 -8.478 1.00 0.00 H new ATOM 0 HB THR B 753 11.163 18.928 -10.780 1.00 0.00 H new ATOM 0 HG1 THR B 753 12.505 18.047 -9.152 1.00 0.00 H new ATOM 0 HG21 THR B 753 12.974 20.152 -11.950 1.00 0.00 H new ATOM 0 HG22 THR B 753 11.614 21.234 -11.570 1.00 0.00 H new ATOM 0 HG23 THR B 753 13.093 21.284 -10.582 1.00 0.00 H new ATOM 752 N PHE B 754 8.923 20.597 -10.170 1.00 0.00 N ATOM 753 CA PHE B 754 7.844 21.380 -10.767 1.00 0.00 C ATOM 754 C PHE B 754 7.311 22.384 -9.764 1.00 0.00 C ATOM 755 O PHE B 754 7.010 23.518 -10.120 1.00 0.00 O ATOM 756 CB PHE B 754 6.718 20.442 -11.217 1.00 0.00 C ATOM 757 CG PHE B 754 5.695 21.218 -12.011 1.00 0.00 C ATOM 758 CD1 PHE B 754 6.003 21.656 -13.303 1.00 0.00 C ATOM 759 CD2 PHE B 754 4.441 21.503 -11.456 1.00 0.00 C ATOM 760 CE1 PHE B 754 5.060 22.379 -14.042 1.00 0.00 C ATOM 761 CE2 PHE B 754 3.498 22.224 -12.194 1.00 0.00 C ATOM 762 CZ PHE B 754 3.807 22.665 -13.487 1.00 0.00 C ATOM 0 H PHE B 754 8.766 19.589 -10.171 1.00 0.00 H new ATOM 0 HA PHE B 754 8.231 21.920 -11.631 1.00 0.00 H new ATOM 0 HB2 PHE B 754 7.126 19.633 -11.824 1.00 0.00 H new ATOM 0 HB3 PHE B 754 6.246 19.982 -10.349 1.00 0.00 H new ATOM 0 HD1 PHE B 754 6.970 21.436 -13.731 1.00 0.00 H new ATOM 0 HD2 PHE B 754 4.203 21.166 -10.458 1.00 0.00 H new ATOM 0 HE1 PHE B 754 5.299 22.716 -15.040 1.00 0.00 H new ATOM 0 HE2 PHE B 754 2.530 22.441 -11.767 1.00 0.00 H new ATOM 0 HZ PHE B 754 3.079 23.225 -14.055 1.00 0.00 H new ATOM 772 N THR B 755 7.206 21.973 -8.515 1.00 0.00 N ATOM 773 CA THR B 755 6.713 22.872 -7.484 1.00 0.00 C ATOM 774 C THR B 755 7.589 24.117 -7.405 1.00 0.00 C ATOM 775 O THR B 755 7.085 25.235 -7.288 1.00 0.00 O ATOM 776 CB THR B 755 6.710 22.159 -6.132 1.00 0.00 C ATOM 777 OG1 THR B 755 6.100 20.885 -6.275 1.00 0.00 O ATOM 778 CG2 THR B 755 5.926 22.990 -5.115 1.00 0.00 C ATOM 0 H THR B 755 7.451 21.037 -8.191 1.00 0.00 H new ATOM 0 HA THR B 755 5.696 23.171 -7.738 1.00 0.00 H new ATOM 0 HB THR B 755 7.735 22.036 -5.783 1.00 0.00 H new ATOM 0 HG1 THR B 755 6.098 20.424 -5.410 1.00 0.00 H new ATOM 0 HG21 THR B 755 5.925 22.480 -4.152 1.00 0.00 H new ATOM 0 HG22 THR B 755 6.394 23.969 -5.007 1.00 0.00 H new ATOM 0 HG23 THR B 755 4.900 23.114 -5.461 1.00 0.00 H new ATOM 786 N ASN B 756 8.898 23.919 -7.465 1.00 0.00 N ATOM 787 CA ASN B 756 9.831 25.039 -7.399 1.00 0.00 C ATOM 788 C ASN B 756 9.725 25.914 -8.646 1.00 0.00 C ATOM 789 O ASN B 756 9.571 27.132 -8.547 1.00 0.00 O ATOM 790 CB ASN B 756 11.266 24.517 -7.270 1.00 0.00 C ATOM 791 CG ASN B 756 12.252 25.681 -7.209 1.00 0.00 C ATOM 792 OD1 ASN B 756 11.888 26.823 -7.493 1.00 0.00 O ATOM 793 ND2 ASN B 756 13.489 25.460 -6.854 1.00 0.00 N ATOM 0 H ASN B 756 9.337 23.003 -7.558 1.00 0.00 H new ATOM 0 HA ASN B 756 9.576 25.640 -6.526 1.00 0.00 H new ATOM 0 HB2 ASN B 756 11.358 23.906 -6.372 1.00 0.00 H new ATOM 0 HB3 ASN B 756 11.504 23.875 -8.118 1.00 0.00 H new ATOM 0 HD21 ASN B 756 14.153 26.233 -6.812 1.00 0.00 H new ATOM 0 HD22 ASN B 756 13.791 24.515 -6.619 1.00 0.00 H new ATOM 800 N ILE B 757 9.818 25.291 -9.819 1.00 0.00 N ATOM 801 CA ILE B 757 9.746 26.039 -11.073 1.00 0.00 C ATOM 802 C ILE B 757 8.370 26.652 -11.244 1.00 0.00 C ATOM 803 O ILE B 757 8.229 27.820 -11.609 1.00 0.00 O ATOM 804 CB ILE B 757 10.034 25.106 -12.259 1.00 0.00 C ATOM 805 CG1 ILE B 757 11.339 24.352 -11.984 1.00 0.00 C ATOM 806 CG2 ILE B 757 10.180 25.935 -13.544 1.00 0.00 C ATOM 807 CD1 ILE B 757 11.906 23.742 -13.277 1.00 0.00 C ATOM 0 H ILE B 757 9.942 24.284 -9.928 1.00 0.00 H new ATOM 0 HA ILE B 757 10.492 26.833 -11.043 1.00 0.00 H new ATOM 0 HB ILE B 757 9.214 24.399 -12.383 1.00 0.00 H new ATOM 0 HG12 ILE B 757 12.071 25.032 -11.547 1.00 0.00 H new ATOM 0 HG13 ILE B 757 11.160 23.563 -11.253 1.00 0.00 H new ATOM 0 HG21 ILE B 757 10.384 25.271 -14.384 1.00 0.00 H new ATOM 0 HG22 ILE B 757 9.256 26.483 -13.731 1.00 0.00 H new ATOM 0 HG23 ILE B 757 11.003 26.640 -13.430 1.00 0.00 H new ATOM 0 HD11 ILE B 757 12.832 23.212 -13.054 1.00 0.00 H new ATOM 0 HD12 ILE B 757 11.182 23.045 -13.698 1.00 0.00 H new ATOM 0 HD13 ILE B 757 12.106 24.536 -13.996 1.00 0.00 H new ATOM 819 N THR B 758 7.363 25.847 -10.980 1.00 0.00 N ATOM 820 CA THR B 758 5.980 26.295 -11.107 1.00 0.00 C ATOM 821 C THR B 758 5.593 27.139 -9.905 1.00 0.00 C ATOM 822 O THR B 758 4.471 27.630 -9.817 1.00 0.00 O ATOM 823 CB THR B 758 5.030 25.099 -11.230 1.00 0.00 C ATOM 824 OG1 THR B 758 5.517 24.210 -12.223 1.00 0.00 O ATOM 825 CG2 THR B 758 3.624 25.575 -11.619 1.00 0.00 C ATOM 0 H THR B 758 7.469 24.879 -10.676 1.00 0.00 H new ATOM 0 HA THR B 758 5.897 26.898 -12.011 1.00 0.00 H new ATOM 0 HB THR B 758 4.978 24.588 -10.269 1.00 0.00 H new ATOM 0 HG1 THR B 758 5.204 23.301 -12.030 1.00 0.00 H new ATOM 0 HG21 THR B 758 2.959 24.715 -11.703 1.00 0.00 H new ATOM 0 HG22 THR B 758 3.245 26.253 -10.855 1.00 0.00 H new ATOM 0 HG23 THR B 758 3.668 26.095 -12.576 1.00 0.00 H new