USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=9 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+ -164:sc= -0.0214 (180deg=-0.315) 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=-0.044) USER MOD Single : B 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN : amide:sc= -0.08 X(o=-0.08,f=-0.28!) 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 73:sc= 0.462 USER MOD Single : B 752 SER OG : rot -53:sc= 1.15 USER MOD Single : B 753 THR OG1 : rot 72:sc= 0.434 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : B 756 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 758 THR OG1 : rot 141:sc= 0.192 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -6.298 -1.666 20.740 1.00 0.00 N ATOM 13 CA PRO B 710 -6.566 -1.485 19.281 1.00 0.00 C ATOM 14 C PRO B 710 -5.680 -2.387 18.421 1.00 0.00 C ATOM 15 O PRO B 710 -6.075 -2.806 17.333 1.00 0.00 O ATOM 16 CB PRO B 710 -6.254 0.003 19.031 1.00 0.00 C ATOM 17 CG PRO B 710 -6.381 0.657 20.370 1.00 0.00 C ATOM 18 CD PRO B 710 -5.949 -0.394 21.391 1.00 0.00 C ATOM 0 HA PRO B 710 -7.587 -1.756 19.014 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -5.252 0.133 18.622 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -6.950 0.437 18.313 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -5.751 1.545 20.433 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -7.406 0.980 20.551 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -4.882 -0.332 21.605 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -6.472 -0.271 22.340 1.00 0.00 H new ATOM 26 N GLU B 711 -4.481 -2.672 18.915 1.00 0.00 N ATOM 27 CA GLU B 711 -3.546 -3.515 18.182 1.00 0.00 C ATOM 28 C GLU B 711 -4.124 -4.911 17.987 1.00 0.00 C ATOM 29 O GLU B 711 -3.924 -5.536 16.945 1.00 0.00 O ATOM 30 CB GLU B 711 -2.221 -3.605 18.943 1.00 0.00 C ATOM 31 CG GLU B 711 -2.459 -4.251 20.310 1.00 0.00 C ATOM 32 CD GLU B 711 -1.179 -4.206 21.137 1.00 0.00 C ATOM 33 OE1 GLU B 711 -0.570 -3.150 21.196 1.00 0.00 O ATOM 34 OE2 GLU B 711 -0.826 -5.229 21.701 1.00 0.00 O ATOM 0 H GLU B 711 -4.136 -2.334 19.813 1.00 0.00 H new ATOM 0 HA GLU B 711 -3.371 -3.070 17.202 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -1.501 -4.192 18.372 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -1.794 -2.610 19.069 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -3.259 -3.728 20.834 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -2.783 -5.284 20.182 1.00 0.00 H new ATOM 41 N CYS B 712 -4.842 -5.395 18.994 1.00 0.00 N ATOM 42 CA CYS B 712 -5.445 -6.720 18.919 1.00 0.00 C ATOM 43 C CYS B 712 -6.498 -6.763 17.819 1.00 0.00 C ATOM 44 O CYS B 712 -6.584 -7.734 17.067 1.00 0.00 O ATOM 45 CB CYS B 712 -6.089 -7.077 20.259 1.00 0.00 C ATOM 46 SG CYS B 712 -4.800 -7.279 21.513 1.00 0.00 S ATOM 0 H CYS B 712 -5.020 -4.895 19.865 1.00 0.00 H new ATOM 0 HA CYS B 712 -4.663 -7.444 18.689 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -6.785 -6.294 20.560 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -6.666 -7.997 20.164 1.00 0.00 H new ATOM 0 HG CYS B 712 -5.347 -7.580 22.653 1.00 0.00 H new ATOM 52 N LEU B 713 -7.297 -5.708 17.730 1.00 0.00 N ATOM 53 CA LEU B 713 -8.340 -5.648 16.717 1.00 0.00 C ATOM 54 C LEU B 713 -7.730 -5.684 15.318 1.00 0.00 C ATOM 55 O LEU B 713 -8.208 -6.394 14.436 1.00 0.00 O ATOM 56 CB LEU B 713 -9.162 -4.363 16.887 1.00 0.00 C ATOM 57 CG LEU B 713 -10.203 -4.247 15.762 1.00 0.00 C ATOM 58 CD1 LEU B 713 -11.095 -5.499 15.745 1.00 0.00 C ATOM 59 CD2 LEU B 713 -11.065 -3.004 15.994 1.00 0.00 C ATOM 0 H LEU B 713 -7.244 -4.892 18.339 1.00 0.00 H new ATOM 0 HA LEU B 713 -8.991 -6.514 16.840 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -9.662 -4.368 17.856 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -8.502 -3.496 16.873 1.00 0.00 H new ATOM 0 HG LEU B 713 -9.691 -4.162 14.804 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -11.831 -5.411 14.946 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -10.479 -6.382 15.576 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -11.608 -5.593 16.702 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -11.804 -2.920 15.197 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -11.574 -3.088 16.954 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -10.431 -2.117 15.996 1.00 0.00 H new ATOM 71 N ILE B 714 -6.673 -4.914 15.121 1.00 0.00 N ATOM 72 CA ILE B 714 -6.020 -4.861 13.822 1.00 0.00 C ATOM 73 C ILE B 714 -5.478 -6.235 13.446 1.00 0.00 C ATOM 74 O ILE B 714 -5.615 -6.677 12.307 1.00 0.00 O ATOM 75 CB ILE B 714 -4.874 -3.846 13.859 1.00 0.00 C ATOM 76 CG1 ILE B 714 -5.448 -2.436 14.023 1.00 0.00 C ATOM 77 CG2 ILE B 714 -4.079 -3.919 12.552 1.00 0.00 C ATOM 78 CD1 ILE B 714 -4.318 -1.464 14.369 1.00 0.00 C ATOM 0 H ILE B 714 -6.251 -4.322 15.836 1.00 0.00 H new ATOM 0 HA ILE B 714 -6.751 -4.554 13.074 1.00 0.00 H new ATOM 0 HB ILE B 714 -4.216 -4.075 14.698 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -5.942 -2.124 13.103 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -6.203 -2.428 14.809 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -3.264 -3.196 12.581 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -3.670 -4.922 12.431 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -4.737 -3.691 11.713 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -4.725 -0.460 14.486 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -3.844 -1.774 15.300 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -3.579 -1.465 13.568 1.00 0.00 H new ATOM 90 N TRP B 715 -4.869 -6.908 14.412 1.00 0.00 N ATOM 91 CA TRP B 715 -4.310 -8.230 14.168 1.00 0.00 C ATOM 92 C TRP B 715 -5.373 -9.164 13.600 1.00 0.00 C ATOM 93 O TRP B 715 -5.092 -9.972 12.720 1.00 0.00 O ATOM 94 CB TRP B 715 -3.762 -8.814 15.470 1.00 0.00 C ATOM 95 CG TRP B 715 -3.228 -10.188 15.216 1.00 0.00 C ATOM 96 CD1 TRP B 715 -2.188 -10.478 14.402 1.00 0.00 C ATOM 97 CD2 TRP B 715 -3.682 -11.459 15.768 1.00 0.00 C ATOM 98 NE1 TRP B 715 -1.977 -11.845 14.414 1.00 0.00 N ATOM 99 CE2 TRP B 715 -2.871 -12.493 15.243 1.00 0.00 C ATOM 100 CE3 TRP B 715 -4.708 -11.811 16.664 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -3.072 -13.829 15.592 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -4.912 -13.155 17.018 1.00 0.00 C ATOM 103 CH2 TRP B 715 -4.096 -14.161 16.483 1.00 0.00 C ATOM 0 H TRP B 715 -4.750 -6.564 15.365 1.00 0.00 H new ATOM 0 HA TRP B 715 -3.501 -8.133 13.444 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -2.973 -8.173 15.865 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -4.549 -8.852 16.223 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -1.615 -9.759 13.835 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -1.250 -12.317 13.876 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -5.342 -11.043 17.082 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -2.441 -14.601 15.177 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -5.702 -13.415 17.707 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -4.259 -15.192 16.759 1.00 0.00 H new ATOM 114 N LYS B 716 -6.595 -9.048 14.110 1.00 0.00 N ATOM 115 CA LYS B 716 -7.689 -9.895 13.644 1.00 0.00 C ATOM 116 C LYS B 716 -7.924 -9.689 12.152 1.00 0.00 C ATOM 117 O LYS B 716 -8.158 -10.647 11.414 1.00 0.00 O ATOM 118 CB LYS B 716 -8.968 -9.568 14.412 1.00 0.00 C ATOM 119 CG LYS B 716 -8.807 -9.988 15.872 1.00 0.00 C ATOM 120 CD LYS B 716 -10.077 -9.636 16.649 1.00 0.00 C ATOM 121 CE LYS B 716 -9.889 -9.992 18.125 1.00 0.00 C ATOM 122 NZ LYS B 716 -9.787 -11.472 18.269 1.00 0.00 N ATOM 0 H LYS B 716 -6.852 -8.383 14.839 1.00 0.00 H new ATOM 0 HA LYS B 716 -7.418 -10.936 13.820 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -9.179 -8.500 14.351 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -9.816 -10.086 13.965 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -8.616 -11.059 15.934 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -7.947 -9.484 16.313 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -10.296 -8.573 16.546 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -10.929 -10.179 16.239 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -8.989 -9.515 18.514 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -10.728 -9.616 18.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -9.931 -11.735 19.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -10.514 -11.929 17.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -8.845 -11.787 17.961 1.00 0.00 H new ATOM 136 N LEU B 717 -7.854 -8.442 11.712 1.00 0.00 N ATOM 137 CA LEU B 717 -8.057 -8.132 10.296 1.00 0.00 C ATOM 138 C LEU B 717 -7.002 -8.815 9.438 1.00 0.00 C ATOM 139 O LEU B 717 -7.293 -9.283 8.339 1.00 0.00 O ATOM 140 CB LEU B 717 -8.015 -6.610 10.082 1.00 0.00 C ATOM 141 CG LEU B 717 -9.410 -6.008 10.326 1.00 0.00 C ATOM 142 CD1 LEU B 717 -10.379 -6.428 9.193 1.00 0.00 C ATOM 143 CD2 LEU B 717 -9.953 -6.494 11.682 1.00 0.00 C ATOM 0 H LEU B 717 -7.661 -7.633 12.303 1.00 0.00 H new ATOM 0 HA LEU B 717 -9.035 -8.507 9.995 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -7.291 -6.159 10.760 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -7.685 -6.386 9.068 1.00 0.00 H new ATOM 0 HG LEU B 717 -9.330 -4.921 10.336 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -11.363 -5.996 9.377 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -9.998 -6.069 8.237 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -10.459 -7.515 9.167 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -10.941 -6.066 11.853 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -10.024 -7.582 11.677 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -9.279 -6.179 12.478 1.00 0.00 H new ATOM 155 N LEU B 718 -5.783 -8.864 9.937 1.00 0.00 N ATOM 156 CA LEU B 718 -4.698 -9.488 9.196 1.00 0.00 C ATOM 157 C LEU B 718 -4.999 -10.963 8.957 1.00 0.00 C ATOM 158 O LEU B 718 -4.733 -11.489 7.875 1.00 0.00 O ATOM 159 CB LEU B 718 -3.376 -9.332 9.972 1.00 0.00 C ATOM 160 CG LEU B 718 -2.687 -8.017 9.595 1.00 0.00 C ATOM 161 CD1 LEU B 718 -3.529 -6.834 10.067 1.00 0.00 C ATOM 162 CD2 LEU B 718 -1.311 -7.963 10.259 1.00 0.00 C ATOM 0 H LEU B 718 -5.517 -8.483 10.845 1.00 0.00 H new ATOM 0 HA LEU B 718 -4.602 -8.994 8.229 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -3.572 -9.353 11.044 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -2.717 -10.172 9.752 1.00 0.00 H new ATOM 0 HG LEU B 718 -2.576 -7.964 8.512 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -3.032 -5.903 9.795 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -4.510 -6.874 9.594 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -3.647 -6.880 11.150 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -0.816 -7.029 9.994 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -1.427 -8.018 11.341 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -0.708 -8.804 9.915 1.00 0.00 H new ATOM 174 N ILE B 719 -5.548 -11.622 9.965 1.00 0.00 N ATOM 175 CA ILE B 719 -5.874 -13.034 9.843 1.00 0.00 C ATOM 176 C ILE B 719 -6.904 -13.248 8.739 1.00 0.00 C ATOM 177 O ILE B 719 -6.761 -14.148 7.911 1.00 0.00 O ATOM 178 CB ILE B 719 -6.426 -13.557 11.168 1.00 0.00 C ATOM 179 CG1 ILE B 719 -5.420 -13.275 12.286 1.00 0.00 C ATOM 180 CG2 ILE B 719 -6.665 -15.064 11.064 1.00 0.00 C ATOM 181 CD1 ILE B 719 -6.040 -13.626 13.641 1.00 0.00 C ATOM 0 H ILE B 719 -5.776 -11.207 10.869 1.00 0.00 H new ATOM 0 HA ILE B 719 -4.965 -13.580 9.589 1.00 0.00 H new ATOM 0 HB ILE B 719 -7.368 -13.056 11.392 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -4.513 -13.859 12.128 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -5.129 -12.225 12.270 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -7.059 -15.436 12.010 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -7.382 -15.265 10.268 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -5.724 -15.567 10.840 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -5.320 -13.424 14.434 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -6.934 -13.022 13.800 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -6.308 -14.682 13.656 1.00 0.00 H new ATOM 193 N THR B 720 -7.941 -12.418 8.734 1.00 0.00 N ATOM 194 CA THR B 720 -8.987 -12.526 7.723 1.00 0.00 C ATOM 195 C THR B 720 -8.421 -12.268 6.331 1.00 0.00 C ATOM 196 O THR B 720 -8.707 -13.004 5.387 1.00 0.00 O ATOM 197 CB THR B 720 -10.104 -11.523 8.017 1.00 0.00 C ATOM 198 OG1 THR B 720 -10.684 -11.820 9.280 1.00 0.00 O ATOM 199 CG2 THR B 720 -11.174 -11.611 6.928 1.00 0.00 C ATOM 0 H THR B 720 -8.080 -11.669 9.412 1.00 0.00 H new ATOM 0 HA THR B 720 -9.390 -13.538 7.754 1.00 0.00 H new ATOM 0 HB THR B 720 -9.691 -10.514 8.034 1.00 0.00 H new ATOM 0 HG1 THR B 720 -11.399 -11.177 9.471 1.00 0.00 H new ATOM 0 HG21 THR B 720 -11.969 -10.895 7.140 1.00 0.00 H new ATOM 0 HG22 THR B 720 -10.728 -11.382 5.960 1.00 0.00 H new ATOM 0 HG23 THR B 720 -11.589 -12.619 6.907 1.00 0.00 H new ATOM 207 N ILE B 721 -7.618 -11.215 6.210 1.00 0.00 N ATOM 208 CA ILE B 721 -7.020 -10.866 4.926 1.00 0.00 C ATOM 209 C ILE B 721 -6.076 -11.972 4.457 1.00 0.00 C ATOM 210 O ILE B 721 -6.080 -12.350 3.286 1.00 0.00 O ATOM 211 CB ILE B 721 -6.246 -9.549 5.052 1.00 0.00 C ATOM 212 CG1 ILE B 721 -7.232 -8.406 5.312 1.00 0.00 C ATOM 213 CG2 ILE B 721 -5.484 -9.275 3.751 1.00 0.00 C ATOM 214 CD1 ILE B 721 -6.458 -7.148 5.713 1.00 0.00 C ATOM 0 H ILE B 721 -7.368 -10.593 6.979 1.00 0.00 H new ATOM 0 HA ILE B 721 -7.818 -10.750 4.192 1.00 0.00 H new ATOM 0 HB ILE B 721 -5.539 -9.620 5.878 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -7.825 -8.212 4.418 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -7.929 -8.685 6.102 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -4.934 -8.338 3.842 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -4.785 -10.089 3.560 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -6.190 -9.202 2.924 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -7.158 -6.334 5.898 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -5.885 -7.347 6.618 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -5.779 -6.867 4.908 1.00 0.00 H new ATOM 226 N HIS B 722 -5.271 -12.483 5.381 1.00 0.00 N ATOM 227 CA HIS B 722 -4.324 -13.543 5.055 1.00 0.00 C ATOM 228 C HIS B 722 -5.060 -14.787 4.573 1.00 0.00 C ATOM 229 O HIS B 722 -4.569 -15.515 3.709 1.00 0.00 O ATOM 230 CB HIS B 722 -3.478 -13.887 6.282 1.00 0.00 C ATOM 231 CG HIS B 722 -2.439 -14.907 5.903 1.00 0.00 C ATOM 232 ND1 HIS B 722 -2.584 -16.254 6.195 1.00 0.00 N ATOM 233 CD2 HIS B 722 -1.233 -14.791 5.255 1.00 0.00 C ATOM 234 CE1 HIS B 722 -1.493 -16.890 5.729 1.00 0.00 C ATOM 235 NE2 HIS B 722 -0.639 -16.045 5.146 1.00 0.00 N ATOM 0 H HIS B 722 -5.254 -12.183 6.356 1.00 0.00 H new ATOM 0 HA HIS B 722 -3.672 -13.189 4.257 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -2.997 -12.989 6.669 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -4.113 -14.277 7.077 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -0.811 -13.868 4.887 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -1.328 -17.954 5.816 1.00 0.00 H new ATOM 0 HE2 HIS B 722 0.257 -16.270 4.713 1.00 0.00 H new ATOM 244 N ASP B 723 -6.238 -15.028 5.138 1.00 0.00 N ATOM 245 CA ASP B 723 -7.030 -16.191 4.760 1.00 0.00 C ATOM 246 C ASP B 723 -7.554 -16.039 3.334 1.00 0.00 C ATOM 247 O ASP B 723 -7.641 -17.013 2.588 1.00 0.00 O ATOM 248 CB ASP B 723 -8.209 -16.354 5.723 1.00 0.00 C ATOM 249 CG ASP B 723 -9.029 -17.584 5.348 1.00 0.00 C ATOM 250 OD1 ASP B 723 -8.739 -18.175 4.320 1.00 0.00 O ATOM 251 OD2 ASP B 723 -9.934 -17.919 6.094 1.00 0.00 O ATOM 0 H ASP B 723 -6.662 -14.438 5.854 1.00 0.00 H new ATOM 0 HA ASP B 723 -6.394 -17.075 4.811 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -7.843 -16.450 6.745 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -8.839 -15.465 5.692 1.00 0.00 H new ATOM 256 N ARG B 724 -7.897 -14.811 2.962 1.00 0.00 N ATOM 257 CA ARG B 724 -8.406 -14.550 1.622 1.00 0.00 C ATOM 258 C ARG B 724 -7.301 -14.728 0.584 1.00 0.00 C ATOM 259 O ARG B 724 -6.304 -14.006 0.593 1.00 0.00 O ATOM 260 CB ARG B 724 -8.957 -13.125 1.541 1.00 0.00 C ATOM 261 CG ARG B 724 -10.206 -13.010 2.417 1.00 0.00 C ATOM 262 CD ARG B 724 -10.700 -11.562 2.416 1.00 0.00 C ATOM 263 NE ARG B 724 -11.088 -11.165 1.067 1.00 0.00 N ATOM 264 CZ ARG B 724 -12.299 -11.438 0.588 1.00 0.00 C ATOM 265 NH1 ARG B 724 -13.163 -12.075 1.330 1.00 0.00 N ATOM 266 NH2 ARG B 724 -12.620 -11.071 -0.622 1.00 0.00 N ATOM 0 H ARG B 724 -7.833 -13.989 3.562 1.00 0.00 H new ATOM 0 HA ARG B 724 -9.205 -15.262 1.413 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -8.201 -12.412 1.871 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -9.200 -12.876 0.508 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -10.987 -13.672 2.043 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -9.979 -13.327 3.435 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -11.549 -11.459 3.092 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -9.916 -10.902 2.786 1.00 0.00 H new ATOM 0 HE ARG B 724 -10.418 -10.669 0.480 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -12.909 -12.363 2.275 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -14.092 -12.285 0.965 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -11.943 -10.575 -1.201 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -13.548 -11.280 -0.989 1.00 0.00 H new ATOM 280 N LYS B 725 -7.488 -15.691 -0.309 1.00 0.00 N ATOM 281 CA LYS B 725 -6.509 -15.958 -1.355 1.00 0.00 C ATOM 282 C LYS B 725 -6.428 -14.786 -2.327 1.00 0.00 C ATOM 283 O LYS B 725 -5.382 -14.537 -2.928 1.00 0.00 O ATOM 284 CB LYS B 725 -6.877 -17.233 -2.110 1.00 0.00 C ATOM 285 CG LYS B 725 -6.677 -18.443 -1.194 1.00 0.00 C ATOM 286 CD LYS B 725 -7.134 -19.718 -1.915 1.00 0.00 C ATOM 287 CE LYS B 725 -6.079 -20.148 -2.943 1.00 0.00 C ATOM 288 NZ LYS B 725 -6.355 -21.542 -3.381 1.00 0.00 N ATOM 0 H LYS B 725 -8.307 -16.299 -0.330 1.00 0.00 H new ATOM 0 HA LYS B 725 -5.534 -16.090 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -7.913 -17.184 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -6.258 -17.332 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -5.627 -18.529 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -7.244 -18.311 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -7.295 -20.517 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -8.088 -19.542 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -6.096 -19.476 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -5.082 -20.083 -2.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -5.641 -21.835 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -6.318 -22.178 -2.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -7.300 -21.590 -3.813 1.00 0.00 H new ATOM 302 N GLU B 726 -7.540 -14.077 -2.481 1.00 0.00 N ATOM 303 CA GLU B 726 -7.586 -12.939 -3.389 1.00 0.00 C ATOM 304 C GLU B 726 -6.544 -11.899 -2.992 1.00 0.00 C ATOM 305 O GLU B 726 -5.969 -11.226 -3.847 1.00 0.00 O ATOM 306 CB GLU B 726 -8.980 -12.305 -3.361 1.00 0.00 C ATOM 307 CG GLU B 726 -9.993 -13.272 -3.977 1.00 0.00 C ATOM 308 CD GLU B 726 -11.398 -12.687 -3.877 1.00 0.00 C ATOM 309 OE1 GLU B 726 -11.527 -11.591 -3.357 1.00 0.00 O ATOM 310 OE2 GLU B 726 -12.324 -13.343 -4.324 1.00 0.00 O ATOM 0 H GLU B 726 -8.415 -14.268 -1.993 1.00 0.00 H new ATOM 0 HA GLU B 726 -7.368 -13.291 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -9.263 -12.069 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -8.975 -11.366 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -9.741 -13.459 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -9.952 -14.232 -3.462 1.00 0.00 H new ATOM 317 N PHE B 727 -6.304 -11.775 -1.691 1.00 0.00 N ATOM 318 CA PHE B 727 -5.324 -10.817 -1.195 1.00 0.00 C ATOM 319 C PHE B 727 -3.937 -11.134 -1.751 1.00 0.00 C ATOM 320 O PHE B 727 -3.225 -10.244 -2.214 1.00 0.00 O ATOM 321 CB PHE B 727 -5.291 -10.850 0.334 1.00 0.00 C ATOM 322 CG PHE B 727 -4.318 -9.810 0.840 1.00 0.00 C ATOM 323 CD1 PHE B 727 -4.580 -8.449 0.633 1.00 0.00 C ATOM 324 CD2 PHE B 727 -3.153 -10.201 1.516 1.00 0.00 C ATOM 325 CE1 PHE B 727 -3.683 -7.483 1.101 1.00 0.00 C ATOM 326 CE2 PHE B 727 -2.258 -9.233 1.985 1.00 0.00 C ATOM 327 CZ PHE B 727 -2.522 -7.875 1.777 1.00 0.00 C ATOM 0 H PHE B 727 -6.770 -12.321 -0.967 1.00 0.00 H new ATOM 0 HA PHE B 727 -5.613 -9.820 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -6.286 -10.657 0.734 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -4.994 -11.840 0.681 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -5.476 -8.146 0.111 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -2.947 -11.249 1.675 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -3.886 -6.435 0.941 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -1.363 -9.535 2.508 1.00 0.00 H new ATOM 0 HZ PHE B 727 -1.830 -7.129 2.138 1.00 0.00 H new ATOM 337 N ALA B 728 -3.561 -12.412 -1.703 1.00 0.00 N ATOM 338 CA ALA B 728 -2.261 -12.838 -2.206 1.00 0.00 C ATOM 339 C ALA B 728 -2.185 -12.644 -3.718 1.00 0.00 C ATOM 340 O ALA B 728 -1.147 -12.258 -4.253 1.00 0.00 O ATOM 341 CB ALA B 728 -2.028 -14.310 -1.865 1.00 0.00 C ATOM 0 H ALA B 728 -4.136 -13.164 -1.323 1.00 0.00 H new ATOM 0 HA ALA B 728 -1.490 -12.230 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -1.055 -14.622 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -2.055 -14.442 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -2.808 -14.918 -2.324 1.00 0.00 H new ATOM 347 N LYS B 729 -3.295 -12.912 -4.399 1.00 0.00 N ATOM 348 CA LYS B 729 -3.346 -12.760 -5.850 1.00 0.00 C ATOM 349 C LYS B 729 -3.105 -11.305 -6.242 1.00 0.00 C ATOM 350 O LYS B 729 -2.451 -11.020 -7.238 1.00 0.00 O ATOM 351 CB LYS B 729 -4.704 -13.223 -6.380 1.00 0.00 C ATOM 352 CG LYS B 729 -4.828 -14.739 -6.215 1.00 0.00 C ATOM 353 CD LYS B 729 -6.190 -15.200 -6.738 1.00 0.00 C ATOM 354 CE LYS B 729 -6.309 -16.716 -6.591 1.00 0.00 C ATOM 355 NZ LYS B 729 -7.628 -17.163 -7.121 1.00 0.00 N ATOM 0 H LYS B 729 -4.165 -13.233 -3.974 1.00 0.00 H new ATOM 0 HA LYS B 729 -2.562 -13.376 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -5.507 -12.721 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -4.808 -12.951 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -4.029 -15.241 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -4.719 -15.011 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -6.989 -14.707 -6.185 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -6.304 -14.916 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -5.501 -17.209 -7.132 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -6.211 -17.000 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -7.710 -18.195 -7.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -8.391 -16.702 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -7.704 -16.905 -8.126 1.00 0.00 H new ATOM 369 N PHE B 730 -3.640 -10.385 -5.450 1.00 0.00 N ATOM 370 CA PHE B 730 -3.468 -8.967 -5.720 1.00 0.00 C ATOM 371 C PHE B 730 -2.012 -8.556 -5.520 1.00 0.00 C ATOM 372 O PHE B 730 -1.487 -7.712 -6.247 1.00 0.00 O ATOM 373 CB PHE B 730 -4.366 -8.148 -4.797 1.00 0.00 C ATOM 374 CG PHE B 730 -4.138 -6.677 -5.049 1.00 0.00 C ATOM 375 CD1 PHE B 730 -3.157 -5.988 -4.325 1.00 0.00 C ATOM 376 CD2 PHE B 730 -4.904 -6.002 -6.004 1.00 0.00 C ATOM 377 CE1 PHE B 730 -2.943 -4.627 -4.558 1.00 0.00 C ATOM 378 CE2 PHE B 730 -4.691 -4.639 -6.237 1.00 0.00 C ATOM 379 CZ PHE B 730 -3.711 -3.950 -5.513 1.00 0.00 C ATOM 0 H PHE B 730 -4.194 -10.595 -4.620 1.00 0.00 H new ATOM 0 HA PHE B 730 -3.746 -8.776 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -5.412 -8.400 -4.972 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -4.150 -8.387 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -2.566 -6.509 -3.586 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -5.661 -6.533 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -2.185 -4.097 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -5.283 -4.118 -6.975 1.00 0.00 H new ATOM 0 HZ PHE B 730 -3.547 -2.897 -5.691 1.00 0.00 H new ATOM 389 N GLU B 731 -1.369 -9.144 -4.514 1.00 0.00 N ATOM 390 CA GLU B 731 0.023 -8.818 -4.217 1.00 0.00 C ATOM 391 C GLU B 731 0.922 -9.091 -5.420 1.00 0.00 C ATOM 392 O GLU B 731 1.722 -8.237 -5.816 1.00 0.00 O ATOM 393 CB GLU B 731 0.506 -9.652 -3.024 1.00 0.00 C ATOM 394 CG GLU B 731 -0.113 -9.117 -1.734 1.00 0.00 C ATOM 395 CD GLU B 731 0.310 -9.991 -0.556 1.00 0.00 C ATOM 396 OE1 GLU B 731 1.024 -10.954 -0.784 1.00 0.00 O ATOM 397 OE2 GLU B 731 -0.086 -9.682 0.554 1.00 0.00 O ATOM 0 H GLU B 731 -1.784 -9.842 -3.897 1.00 0.00 H new ATOM 0 HA GLU B 731 0.078 -7.756 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU B 731 0.231 -10.697 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU B 731 1.593 -9.615 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU B 731 0.204 -8.088 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -1.200 -9.106 -1.819 1.00 0.00 H new ATOM 404 N GLU B 732 0.787 -10.278 -5.996 1.00 0.00 N ATOM 405 CA GLU B 732 1.595 -10.649 -7.152 1.00 0.00 C ATOM 406 C GLU B 732 1.270 -9.765 -8.348 1.00 0.00 C ATOM 407 O GLU B 732 2.150 -9.425 -9.137 1.00 0.00 O ATOM 408 CB GLU B 732 1.378 -12.116 -7.509 1.00 0.00 C ATOM 409 CG GLU B 732 -0.105 -12.375 -7.612 1.00 0.00 C ATOM 410 CD GLU B 732 -0.367 -13.816 -8.033 1.00 0.00 C ATOM 411 OE1 GLU B 732 0.310 -14.695 -7.525 1.00 0.00 O ATOM 412 OE2 GLU B 732 -1.244 -14.022 -8.857 1.00 0.00 O ATOM 0 H GLU B 732 0.132 -10.996 -5.686 1.00 0.00 H new ATOM 0 HA GLU B 732 2.643 -10.503 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU B 732 1.869 -12.352 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU B 732 1.822 -12.759 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU B 732 -0.582 -12.178 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU B 732 -0.550 -11.692 -8.335 1.00 0.00 H new ATOM 419 N GLU B 733 0.004 -9.388 -8.472 1.00 0.00 N ATOM 420 CA GLU B 733 -0.426 -8.535 -9.569 1.00 0.00 C ATOM 421 C GLU B 733 0.262 -7.175 -9.497 1.00 0.00 C ATOM 422 O GLU B 733 0.661 -6.623 -10.522 1.00 0.00 O ATOM 423 CB GLU B 733 -1.947 -8.353 -9.519 1.00 0.00 C ATOM 424 CG GLU B 733 -2.640 -9.631 -10.000 1.00 0.00 C ATOM 425 CD GLU B 733 -2.434 -9.802 -11.500 1.00 0.00 C ATOM 426 OE1 GLU B 733 -2.160 -8.809 -12.157 1.00 0.00 O ATOM 427 OE2 GLU B 733 -2.553 -10.920 -11.973 1.00 0.00 O ATOM 0 H GLU B 733 -0.740 -9.659 -7.828 1.00 0.00 H new ATOM 0 HA GLU B 733 -0.149 -9.012 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -2.261 -8.119 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -2.242 -7.511 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -2.239 -10.494 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -3.705 -9.584 -9.774 1.00 0.00 H new ATOM 434 N ARG B 734 0.400 -6.639 -8.286 1.00 0.00 N ATOM 435 CA ARG B 734 1.041 -5.350 -8.108 1.00 0.00 C ATOM 436 C ARG B 734 2.479 -5.398 -8.608 1.00 0.00 C ATOM 437 O ARG B 734 2.941 -4.480 -9.285 1.00 0.00 O ATOM 438 CB ARG B 734 1.020 -4.972 -6.629 1.00 0.00 C ATOM 439 CG ARG B 734 1.630 -3.585 -6.447 1.00 0.00 C ATOM 440 CD ARG B 734 1.540 -3.174 -4.984 1.00 0.00 C ATOM 441 NE ARG B 734 0.154 -2.916 -4.611 1.00 0.00 N ATOM 442 CZ ARG B 734 -0.474 -1.820 -5.028 1.00 0.00 C ATOM 443 NH1 ARG B 734 0.150 -0.955 -5.781 1.00 0.00 N ATOM 444 NH2 ARG B 734 -1.714 -1.608 -4.684 1.00 0.00 N ATOM 0 H ARG B 734 0.078 -7.078 -7.423 1.00 0.00 H new ATOM 0 HA ARG B 734 0.497 -4.601 -8.684 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -0.004 -4.982 -6.255 1.00 0.00 H new ATOM 0 HB3 ARG B 734 1.579 -5.705 -6.048 1.00 0.00 H new ATOM 0 HG2 ARG B 734 2.671 -3.589 -6.770 1.00 0.00 H new ATOM 0 HG3 ARG B 734 1.105 -2.861 -7.071 1.00 0.00 H new ATOM 0 HD2 ARG B 734 1.952 -3.961 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG B 734 2.141 -2.281 -4.813 1.00 0.00 H new ATOM 0 HE ARG B 734 -0.341 -3.586 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG B 734 1.120 -1.119 -6.050 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -0.333 -0.115 -6.100 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -2.202 -2.283 -4.095 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -2.195 -0.768 -5.004 1.00 0.00 H new ATOM 458 N ALA B 735 3.180 -6.472 -8.269 1.00 0.00 N ATOM 459 CA ALA B 735 4.568 -6.627 -8.691 1.00 0.00 C ATOM 460 C ALA B 735 4.660 -6.724 -10.211 1.00 0.00 C ATOM 461 O ALA B 735 5.578 -6.176 -10.823 1.00 0.00 O ATOM 462 CB ALA B 735 5.174 -7.881 -8.059 1.00 0.00 C ATOM 0 H ALA B 735 2.816 -7.243 -7.709 1.00 0.00 H new ATOM 0 HA ALA B 735 5.126 -5.751 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA B 735 6.210 -7.986 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA B 735 5.139 -7.795 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA B 735 4.606 -8.757 -8.372 1.00 0.00 H new ATOM 468 N ARG B 736 3.705 -7.426 -10.818 1.00 0.00 N ATOM 469 CA ARG B 736 3.689 -7.585 -12.262 1.00 0.00 C ATOM 470 C ARG B 736 3.460 -6.243 -12.948 1.00 0.00 C ATOM 471 O ARG B 736 4.075 -5.944 -13.972 1.00 0.00 O ATOM 472 CB ARG B 736 2.584 -8.562 -12.658 1.00 0.00 C ATOM 473 CG ARG B 736 2.978 -9.978 -12.239 1.00 0.00 C ATOM 474 CD ARG B 736 1.836 -10.945 -12.562 1.00 0.00 C ATOM 475 NE ARG B 736 1.595 -10.976 -14.001 1.00 0.00 N ATOM 476 CZ ARG B 736 2.300 -11.768 -14.803 1.00 0.00 C ATOM 477 NH1 ARG B 736 3.232 -12.534 -14.307 1.00 0.00 N ATOM 478 NH2 ARG B 736 2.062 -11.776 -16.086 1.00 0.00 N ATOM 0 H ARG B 736 2.938 -7.890 -10.331 1.00 0.00 H new ATOM 0 HA ARG B 736 4.655 -7.977 -12.581 1.00 0.00 H new ATOM 0 HB2 ARG B 736 1.646 -8.278 -12.181 1.00 0.00 H new ATOM 0 HB3 ARG B 736 2.419 -8.523 -13.735 1.00 0.00 H new ATOM 0 HG2 ARG B 736 3.885 -10.283 -12.760 1.00 0.00 H new ATOM 0 HG3 ARG B 736 3.200 -10.004 -11.172 1.00 0.00 H new ATOM 0 HD2 ARG B 736 2.084 -11.945 -12.206 1.00 0.00 H new ATOM 0 HD3 ARG B 736 0.930 -10.637 -12.041 1.00 0.00 H new ATOM 0 HE ARG B 736 0.871 -10.378 -14.399 1.00 0.00 H new ATOM 0 HH11 ARG B 736 3.419 -12.525 -13.304 1.00 0.00 H new ATOM 0 HH12 ARG B 736 3.773 -13.142 -14.922 1.00 0.00 H new ATOM 0 HH21 ARG B 736 1.335 -11.175 -16.474 1.00 0.00 H new ATOM 0 HH22 ARG B 736 2.603 -12.384 -16.701 1.00 0.00 H new ATOM 598 N ASN B 744 6.507 2.734 -9.687 1.00 0.00 N ATOM 599 CA ASN B 744 7.826 2.556 -9.109 1.00 0.00 C ATOM 600 C ASN B 744 8.027 3.494 -7.913 1.00 0.00 C ATOM 601 O ASN B 744 7.506 4.608 -7.898 1.00 0.00 O ATOM 602 CB ASN B 744 8.912 2.824 -10.148 1.00 0.00 C ATOM 603 CG ASN B 744 8.918 1.707 -11.184 1.00 0.00 C ATOM 604 OD1 ASN B 744 7.987 0.905 -11.237 1.00 0.00 O ATOM 605 ND2 ASN B 744 9.922 1.601 -12.008 1.00 0.00 N ATOM 0 HA ASN B 744 7.902 1.523 -8.770 1.00 0.00 H new ATOM 0 HB2 ASN B 744 8.735 3.783 -10.634 1.00 0.00 H new ATOM 0 HB3 ASN B 744 9.886 2.888 -9.662 1.00 0.00 H new ATOM 0 HD21 ASN B 744 9.937 0.851 -12.699 1.00 0.00 H new ATOM 0 HD22 ASN B 744 10.693 2.268 -11.961 1.00 0.00 H new ATOM 612 N PRO B 745 8.766 3.070 -6.919 1.00 0.00 N ATOM 613 CA PRO B 745 9.033 3.897 -5.709 1.00 0.00 C ATOM 614 C PRO B 745 9.432 5.325 -6.058 1.00 0.00 C ATOM 615 O PRO B 745 9.115 6.267 -5.335 1.00 0.00 O ATOM 616 CB PRO B 745 10.199 3.161 -5.021 1.00 0.00 C ATOM 617 CG PRO B 745 10.102 1.738 -5.473 1.00 0.00 C ATOM 618 CD PRO B 745 9.414 1.755 -6.838 1.00 0.00 C ATOM 0 HA PRO B 745 8.147 3.997 -5.081 1.00 0.00 H new ATOM 0 HB2 PRO B 745 11.158 3.597 -5.302 1.00 0.00 H new ATOM 0 HB3 PRO B 745 10.122 3.233 -3.936 1.00 0.00 H new ATOM 0 HG2 PRO B 745 11.092 1.287 -5.544 1.00 0.00 H new ATOM 0 HG3 PRO B 745 9.531 1.144 -4.760 1.00 0.00 H new ATOM 0 HD2 PRO B 745 10.134 1.619 -7.645 1.00 0.00 H new ATOM 0 HD3 PRO B 745 8.685 0.949 -6.923 1.00 0.00 H new ATOM 626 N LEU B 746 10.133 5.465 -7.159 1.00 0.00 N ATOM 627 CA LEU B 746 10.586 6.783 -7.592 1.00 0.00 C ATOM 628 C LEU B 746 9.384 7.722 -7.743 1.00 0.00 C ATOM 629 O LEU B 746 9.465 8.913 -7.448 1.00 0.00 O ATOM 630 CB LEU B 746 11.332 6.670 -8.943 1.00 0.00 C ATOM 631 CG LEU B 746 12.441 7.723 -9.015 1.00 0.00 C ATOM 632 CD1 LEU B 746 13.157 7.625 -10.365 1.00 0.00 C ATOM 633 CD2 LEU B 746 11.845 9.130 -8.844 1.00 0.00 C ATOM 0 H LEU B 746 10.404 4.696 -7.772 1.00 0.00 H new ATOM 0 HA LEU B 746 11.266 7.187 -6.842 1.00 0.00 H new ATOM 0 HB2 LEU B 746 11.758 5.673 -9.051 1.00 0.00 H new ATOM 0 HB3 LEU B 746 10.633 6.809 -9.767 1.00 0.00 H new ATOM 0 HG LEU B 746 13.156 7.542 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU B 746 13.946 8.376 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU B 746 13.593 6.632 -10.474 1.00 0.00 H new ATOM 0 HD13 LEU B 746 12.442 7.797 -11.169 1.00 0.00 H new ATOM 0 HD21 LEU B 746 12.642 9.872 -8.897 1.00 0.00 H new ATOM 0 HD22 LEU B 746 11.122 9.318 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU B 746 11.348 9.200 -7.876 1.00 0.00 H new ATOM 645 N TYR B 747 8.273 7.176 -8.214 1.00 0.00 N ATOM 646 CA TYR B 747 7.069 7.977 -8.407 1.00 0.00 C ATOM 647 C TYR B 747 6.581 8.540 -7.078 1.00 0.00 C ATOM 648 O TYR B 747 6.247 9.719 -6.972 1.00 0.00 O ATOM 649 CB TYR B 747 5.973 7.123 -9.037 1.00 0.00 C ATOM 650 CG TYR B 747 4.720 7.951 -9.206 1.00 0.00 C ATOM 651 CD1 TYR B 747 4.629 8.875 -10.254 1.00 0.00 C ATOM 652 CD2 TYR B 747 3.651 7.795 -8.317 1.00 0.00 C ATOM 653 CE1 TYR B 747 3.469 9.644 -10.412 1.00 0.00 C ATOM 654 CE2 TYR B 747 2.490 8.562 -8.474 1.00 0.00 C ATOM 655 CZ TYR B 747 2.400 9.487 -9.522 1.00 0.00 C ATOM 656 OH TYR B 747 1.257 10.245 -9.676 1.00 0.00 O ATOM 0 H TYR B 747 8.178 6.193 -8.468 1.00 0.00 H new ATOM 0 HA TYR B 747 7.309 8.807 -9.071 1.00 0.00 H new ATOM 0 HB2 TYR B 747 6.304 6.744 -10.004 1.00 0.00 H new ATOM 0 HB3 TYR B 747 5.767 6.257 -8.409 1.00 0.00 H new ATOM 0 HD1 TYR B 747 5.454 8.995 -10.941 1.00 0.00 H new ATOM 0 HD2 TYR B 747 3.721 7.082 -7.509 1.00 0.00 H new ATOM 0 HE1 TYR B 747 3.399 10.357 -11.220 1.00 0.00 H new ATOM 0 HE2 TYR B 747 1.665 8.440 -7.788 1.00 0.00 H new ATOM 0 HH TYR B 747 0.613 10.011 -8.975 1.00 0.00 H new ATOM 666 N LYS B 748 6.543 7.682 -6.070 1.00 0.00 N ATOM 667 CA LYS B 748 6.090 8.094 -4.742 1.00 0.00 C ATOM 668 C LYS B 748 7.043 9.127 -4.152 1.00 0.00 C ATOM 669 O LYS B 748 6.616 10.108 -3.543 1.00 0.00 O ATOM 670 CB LYS B 748 6.009 6.883 -3.809 1.00 0.00 C ATOM 671 CG LYS B 748 4.968 5.903 -4.345 1.00 0.00 C ATOM 672 CD LYS B 748 4.854 4.706 -3.398 1.00 0.00 C ATOM 673 CE LYS B 748 3.815 3.720 -3.938 1.00 0.00 C ATOM 674 NZ LYS B 748 3.704 2.558 -3.010 1.00 0.00 N ATOM 0 H LYS B 748 6.817 6.702 -6.141 1.00 0.00 H new ATOM 0 HA LYS B 748 5.099 8.538 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS B 748 6.982 6.397 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS B 748 5.740 7.202 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS B 748 4.002 6.399 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS B 748 5.251 5.565 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS B 748 5.821 4.213 -3.301 1.00 0.00 H new ATOM 0 HD3 LYS B 748 4.567 5.044 -2.402 1.00 0.00 H new ATOM 0 HE2 LYS B 748 2.848 4.213 -4.038 1.00 0.00 H new ATOM 0 HE3 LYS B 748 4.104 3.379 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 2.998 1.888 -3.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 4.627 2.084 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 3.410 2.891 -2.070 1.00 0.00 H new ATOM 688 N GLU B 749 8.336 8.898 -4.337 1.00 0.00 N ATOM 689 CA GLU B 749 9.347 9.817 -3.818 1.00 0.00 C ATOM 690 C GLU B 749 9.140 11.216 -4.383 1.00 0.00 C ATOM 691 O GLU B 749 9.272 12.211 -3.670 1.00 0.00 O ATOM 692 CB GLU B 749 10.749 9.318 -4.183 1.00 0.00 C ATOM 693 CG GLU B 749 11.069 8.052 -3.385 1.00 0.00 C ATOM 694 CD GLU B 749 12.415 7.486 -3.824 1.00 0.00 C ATOM 695 OE1 GLU B 749 13.031 8.079 -4.694 1.00 0.00 O ATOM 696 OE2 GLU B 749 12.813 6.468 -3.281 1.00 0.00 O ATOM 0 H GLU B 749 8.710 8.092 -4.838 1.00 0.00 H new ATOM 0 HA GLU B 749 9.249 9.857 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU B 749 10.805 9.110 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU B 749 11.488 10.091 -3.970 1.00 0.00 H new ATOM 0 HG2 GLU B 749 11.091 8.280 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU B 749 10.286 7.309 -3.536 1.00 0.00 H new ATOM 703 N ALA B 750 8.811 11.283 -5.664 1.00 0.00 N ATOM 704 CA ALA B 750 8.581 12.567 -6.318 1.00 0.00 C ATOM 705 C ALA B 750 7.349 13.253 -5.734 1.00 0.00 C ATOM 706 O ALA B 750 7.332 14.470 -5.548 1.00 0.00 O ATOM 707 CB ALA B 750 8.391 12.364 -7.823 1.00 0.00 C ATOM 0 H ALA B 750 8.697 10.471 -6.270 1.00 0.00 H new ATOM 0 HA ALA B 750 9.451 13.200 -6.146 1.00 0.00 H new ATOM 0 HB1 ALA B 750 8.220 13.328 -8.301 1.00 0.00 H new ATOM 0 HB2 ALA B 750 9.285 11.904 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA B 750 7.533 11.715 -7.997 1.00 0.00 H new ATOM 713 N THR B 751 6.319 12.462 -5.448 1.00 0.00 N ATOM 714 CA THR B 751 5.087 13.000 -4.887 1.00 0.00 C ATOM 715 C THR B 751 5.347 13.619 -3.518 1.00 0.00 C ATOM 716 O THR B 751 4.867 14.712 -3.219 1.00 0.00 O ATOM 717 CB THR B 751 4.043 11.891 -4.758 1.00 0.00 C ATOM 718 OG1 THR B 751 3.952 11.185 -5.987 1.00 0.00 O ATOM 719 CG2 THR B 751 2.684 12.503 -4.421 1.00 0.00 C ATOM 0 H THR B 751 6.314 11.453 -5.595 1.00 0.00 H new ATOM 0 HA THR B 751 4.713 13.774 -5.558 1.00 0.00 H new ATOM 0 HB THR B 751 4.338 11.206 -3.963 1.00 0.00 H new ATOM 0 HG1 THR B 751 4.745 10.621 -6.100 1.00 0.00 H new ATOM 0 HG21 THR B 751 1.941 11.711 -4.329 1.00 0.00 H new ATOM 0 HG22 THR B 751 2.753 13.046 -3.479 1.00 0.00 H new ATOM 0 HG23 THR B 751 2.387 13.189 -5.214 1.00 0.00 H new ATOM 727 N SER B 752 6.110 12.912 -2.690 1.00 0.00 N ATOM 728 CA SER B 752 6.427 13.400 -1.354 1.00 0.00 C ATOM 729 C SER B 752 7.175 14.725 -1.432 1.00 0.00 C ATOM 730 O SER B 752 6.999 15.602 -0.586 1.00 0.00 O ATOM 731 CB SER B 752 7.279 12.372 -0.610 1.00 0.00 C ATOM 732 OG SER B 752 8.535 12.243 -1.262 1.00 0.00 O ATOM 0 H SER B 752 6.517 12.005 -2.919 1.00 0.00 H new ATOM 0 HA SER B 752 5.493 13.555 -0.813 1.00 0.00 H new ATOM 0 HB2 SER B 752 7.424 12.683 0.425 1.00 0.00 H new ATOM 0 HB3 SER B 752 6.769 11.409 -0.585 1.00 0.00 H new ATOM 0 HG SER B 752 8.392 12.054 -2.213 1.00 0.00 H new ATOM 738 N THR B 753 8.013 14.863 -2.452 1.00 0.00 N ATOM 739 CA THR B 753 8.788 16.088 -2.631 1.00 0.00 C ATOM 740 C THR B 753 7.867 17.276 -2.878 1.00 0.00 C ATOM 741 O THR B 753 8.023 18.328 -2.265 1.00 0.00 O ATOM 742 CB THR B 753 9.749 15.930 -3.813 1.00 0.00 C ATOM 743 OG1 THR B 753 10.673 14.888 -3.533 1.00 0.00 O ATOM 744 CG2 THR B 753 10.504 17.241 -4.035 1.00 0.00 C ATOM 0 H THR B 753 8.174 14.150 -3.163 1.00 0.00 H new ATOM 0 HA THR B 753 9.358 16.270 -1.720 1.00 0.00 H new ATOM 0 HB THR B 753 9.185 15.682 -4.712 1.00 0.00 H new ATOM 0 HG1 THR B 753 10.214 14.023 -3.577 1.00 0.00 H new ATOM 0 HG21 THR B 753 11.188 17.129 -4.876 1.00 0.00 H new ATOM 0 HG22 THR B 753 9.793 18.039 -4.249 1.00 0.00 H new ATOM 0 HG23 THR B 753 11.070 17.491 -3.138 1.00 0.00 H new ATOM 752 N PHE B 754 6.906 17.094 -3.771 1.00 0.00 N ATOM 753 CA PHE B 754 5.955 18.154 -4.097 1.00 0.00 C ATOM 754 C PHE B 754 5.176 18.573 -2.856 1.00 0.00 C ATOM 755 O PHE B 754 4.937 19.759 -2.631 1.00 0.00 O ATOM 756 CB PHE B 754 4.986 17.681 -5.180 1.00 0.00 C ATOM 757 CG PHE B 754 4.116 18.836 -5.615 1.00 0.00 C ATOM 758 CD1 PHE B 754 4.615 19.788 -6.515 1.00 0.00 C ATOM 759 CD2 PHE B 754 2.812 18.957 -5.122 1.00 0.00 C ATOM 760 CE1 PHE B 754 3.808 20.860 -6.919 1.00 0.00 C ATOM 761 CE2 PHE B 754 2.006 20.029 -5.525 1.00 0.00 C ATOM 762 CZ PHE B 754 2.504 20.979 -6.424 1.00 0.00 C ATOM 0 H PHE B 754 6.761 16.224 -4.284 1.00 0.00 H new ATOM 0 HA PHE B 754 6.514 19.013 -4.469 1.00 0.00 H new ATOM 0 HB2 PHE B 754 5.540 17.288 -6.032 1.00 0.00 H new ATOM 0 HB3 PHE B 754 4.367 16.868 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE B 754 5.621 19.695 -6.897 1.00 0.00 H new ATOM 0 HD2 PHE B 754 2.427 18.223 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE B 754 4.192 21.594 -7.612 1.00 0.00 H new ATOM 0 HE2 PHE B 754 1.000 20.123 -5.142 1.00 0.00 H new ATOM 0 HZ PHE B 754 1.882 21.805 -6.736 1.00 0.00 H new ATOM 772 N THR B 755 4.781 17.590 -2.058 1.00 0.00 N ATOM 773 CA THR B 755 4.022 17.861 -0.844 1.00 0.00 C ATOM 774 C THR B 755 4.775 18.849 0.041 1.00 0.00 C ATOM 775 O THR B 755 4.178 19.731 0.658 1.00 0.00 O ATOM 776 CB THR B 755 3.780 16.563 -0.072 1.00 0.00 C ATOM 777 OG1 THR B 755 3.315 15.562 -0.967 1.00 0.00 O ATOM 778 CG2 THR B 755 2.732 16.802 1.018 1.00 0.00 C ATOM 0 H THR B 755 4.972 16.603 -2.228 1.00 0.00 H new ATOM 0 HA THR B 755 3.063 18.294 -1.126 1.00 0.00 H new ATOM 0 HB THR B 755 4.712 16.235 0.389 1.00 0.00 H new ATOM 0 HG1 THR B 755 3.161 14.729 -0.475 1.00 0.00 H new ATOM 0 HG21 THR B 755 2.561 15.876 1.567 1.00 0.00 H new ATOM 0 HG22 THR B 755 3.089 17.570 1.704 1.00 0.00 H new ATOM 0 HG23 THR B 755 1.799 17.130 0.560 1.00 0.00 H new ATOM 786 N ASN B 756 6.086 18.694 0.105 1.00 0.00 N ATOM 787 CA ASN B 756 6.905 19.584 0.917 1.00 0.00 C ATOM 788 C ASN B 756 6.872 21.007 0.364 1.00 0.00 C ATOM 789 O ASN B 756 6.647 21.964 1.104 1.00 0.00 O ATOM 790 CB ASN B 756 8.352 19.085 0.942 1.00 0.00 C ATOM 791 CG ASN B 756 9.238 20.072 1.697 1.00 0.00 C ATOM 792 OD1 ASN B 756 9.902 20.908 1.082 1.00 0.00 O ATOM 793 ND2 ASN B 756 9.292 20.024 2.999 1.00 0.00 N ATOM 0 H ASN B 756 6.605 17.968 -0.390 1.00 0.00 H new ATOM 0 HA ASN B 756 6.500 19.590 1.929 1.00 0.00 H new ATOM 0 HB2 ASN B 756 8.398 18.106 1.418 1.00 0.00 H new ATOM 0 HB3 ASN B 756 8.719 18.961 -0.077 1.00 0.00 H new ATOM 0 HD21 ASN B 756 9.884 20.679 3.509 1.00 0.00 H new ATOM 0 HD22 ASN B 756 8.742 19.331 3.507 1.00 0.00 H new ATOM 800 N ILE B 757 7.109 21.141 -0.940 1.00 0.00 N ATOM 801 CA ILE B 757 7.119 22.459 -1.568 1.00 0.00 C ATOM 802 C ILE B 757 5.734 23.089 -1.532 1.00 0.00 C ATOM 803 O ILE B 757 5.570 24.241 -1.131 1.00 0.00 O ATOM 804 CB ILE B 757 7.578 22.335 -3.025 1.00 0.00 C ATOM 805 CG1 ILE B 757 8.863 21.507 -3.069 1.00 0.00 C ATOM 806 CG2 ILE B 757 7.855 23.734 -3.592 1.00 0.00 C ATOM 807 CD1 ILE B 757 9.523 21.628 -4.452 1.00 0.00 C ATOM 0 H ILE B 757 7.294 20.364 -1.574 1.00 0.00 H new ATOM 0 HA ILE B 757 7.808 23.095 -1.013 1.00 0.00 H new ATOM 0 HB ILE B 757 6.803 21.850 -3.619 1.00 0.00 H new ATOM 0 HG12 ILE B 757 9.552 21.850 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE B 757 8.639 20.462 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE B 757 8.182 23.648 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE B 757 6.945 24.332 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE B 757 8.636 24.217 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE B 757 10.437 21.035 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE B 757 8.837 21.263 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE B 757 9.764 22.672 -4.650 1.00 0.00 H new ATOM 819 N THR B 758 4.749 22.322 -1.949 1.00 0.00 N ATOM 820 CA THR B 758 3.367 22.801 -1.970 1.00 0.00 C ATOM 821 C THR B 758 2.888 23.096 -0.552 1.00 0.00 C ATOM 822 O THR B 758 1.818 23.669 -0.350 1.00 0.00 O ATOM 823 CB THR B 758 2.453 21.756 -2.632 1.00 0.00 C ATOM 824 OG1 THR B 758 1.382 22.420 -3.291 1.00 0.00 O ATOM 825 CG2 THR B 758 1.884 20.787 -1.588 1.00 0.00 C ATOM 0 H THR B 758 4.870 21.365 -2.279 1.00 0.00 H new ATOM 0 HA THR B 758 3.326 23.722 -2.551 1.00 0.00 H new ATOM 0 HB THR B 758 3.041 21.185 -3.351 1.00 0.00 H new ATOM 0 HG1 THR B 758 1.195 21.974 -4.143 1.00 0.00 H new ATOM 0 HG21 THR B 758 1.241 20.058 -2.081 1.00 0.00 H new ATOM 0 HG22 THR B 758 2.703 20.270 -1.088 1.00 0.00 H new ATOM 0 HG23 THR B 758 1.304 21.344 -0.853 1.00 0.00 H new