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= -0.0571 (180deg=-0.516) USER MOD Single : B 720 THR OG1 : rot 74:sc= 0.524 USER MOD Single : B 722 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.021) 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= -0.0114 K(o=-0.011,f=-1.3!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ 162:sc= -0.0403 (180deg=-0.419) USER MOD Single : B 751 THR OG1 : rot 66:sc= 0.347 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 72:sc= 0.0533 USER MOD Single : B 755 THR OG1 : rot 180:sc= 0.004 USER MOD Single : B 756 ASN : amide:sc= -1.68! C(o=-1.7!,f=-3.9!) USER MOD Single : B 758 THR OG1 : rot 157:sc= -1.06! USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -12.900 -0.482 18.455 1.00 0.00 N ATOM 13 CA PRO B 710 -11.508 -0.322 18.975 1.00 0.00 C ATOM 14 C PRO B 710 -10.475 -0.300 17.851 1.00 0.00 C ATOM 15 O PRO B 710 -10.619 -0.998 16.848 1.00 0.00 O ATOM 16 CB PRO B 710 -11.311 -1.552 19.883 1.00 0.00 C ATOM 17 CG PRO B 710 -12.694 -2.029 20.207 1.00 0.00 C ATOM 18 CD PRO B 710 -13.550 -1.683 18.994 1.00 0.00 C ATOM 0 HA PRO B 710 -11.373 0.623 19.501 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -10.736 -2.327 19.376 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -10.763 -1.289 20.788 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -12.702 -3.102 20.398 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -13.075 -1.543 21.105 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -13.563 -2.494 18.266 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -14.585 -1.489 19.274 1.00 0.00 H new ATOM 26 N GLU B 711 -9.432 0.502 18.033 1.00 0.00 N ATOM 27 CA GLU B 711 -8.378 0.602 17.031 1.00 0.00 C ATOM 28 C GLU B 711 -7.618 -0.715 16.918 1.00 0.00 C ATOM 29 O GLU B 711 -7.246 -1.137 15.822 1.00 0.00 O ATOM 30 CB GLU B 711 -7.409 1.725 17.404 1.00 0.00 C ATOM 31 CG GLU B 711 -6.376 1.901 16.289 1.00 0.00 C ATOM 32 CD GLU B 711 -5.445 3.063 16.619 1.00 0.00 C ATOM 33 OE1 GLU B 711 -5.782 3.833 17.502 1.00 0.00 O ATOM 34 OE2 GLU B 711 -4.410 3.164 15.983 1.00 0.00 O ATOM 0 H GLU B 711 -9.294 1.087 18.857 1.00 0.00 H new ATOM 0 HA GLU B 711 -8.837 0.825 16.068 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -7.956 2.655 17.557 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -6.909 1.491 18.344 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -5.799 0.984 16.169 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -6.880 2.086 15.341 1.00 0.00 H new ATOM 41 N CYS B 712 -7.388 -1.361 18.057 1.00 0.00 N ATOM 42 CA CYS B 712 -6.668 -2.629 18.073 1.00 0.00 C ATOM 43 C CYS B 712 -7.459 -3.700 17.334 1.00 0.00 C ATOM 44 O CYS B 712 -6.890 -4.522 16.613 1.00 0.00 O ATOM 45 CB CYS B 712 -6.426 -3.074 19.516 1.00 0.00 C ATOM 46 SG CYS B 712 -5.294 -1.915 20.323 1.00 0.00 S ATOM 0 H CYS B 712 -7.687 -1.030 18.974 1.00 0.00 H new ATOM 0 HA CYS B 712 -5.710 -2.489 17.572 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -7.370 -3.114 20.059 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -6.006 -4.080 19.532 1.00 0.00 H new ATOM 0 HG CYS B 712 -5.090 -2.291 21.550 1.00 0.00 H new ATOM 52 N LEU B 713 -8.774 -3.686 17.515 1.00 0.00 N ATOM 53 CA LEU B 713 -9.629 -4.662 16.859 1.00 0.00 C ATOM 54 C LEU B 713 -9.544 -4.516 15.341 1.00 0.00 C ATOM 55 O LEU B 713 -9.491 -5.508 14.612 1.00 0.00 O ATOM 56 CB LEU B 713 -11.084 -4.476 17.314 1.00 0.00 C ATOM 57 CG LEU B 713 -12.000 -5.447 16.552 1.00 0.00 C ATOM 58 CD1 LEU B 713 -11.516 -6.889 16.759 1.00 0.00 C ATOM 59 CD2 LEU B 713 -13.431 -5.305 17.070 1.00 0.00 C ATOM 0 H LEU B 713 -9.266 -3.015 18.105 1.00 0.00 H new ATOM 0 HA LEU B 713 -9.288 -5.660 17.136 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -11.164 -4.653 18.387 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -11.401 -3.448 17.136 1.00 0.00 H new ATOM 0 HG LEU B 713 -11.973 -5.211 15.488 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -12.169 -7.573 16.217 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -10.497 -6.988 16.386 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -11.539 -7.131 17.821 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -14.083 -5.993 16.531 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -13.458 -5.539 18.134 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -13.774 -4.282 16.914 1.00 0.00 H new ATOM 71 N ILE B 714 -9.548 -3.274 14.873 1.00 0.00 N ATOM 72 CA ILE B 714 -9.484 -3.011 13.442 1.00 0.00 C ATOM 73 C ILE B 714 -8.167 -3.525 12.870 1.00 0.00 C ATOM 74 O ILE B 714 -8.142 -4.151 11.811 1.00 0.00 O ATOM 75 CB ILE B 714 -9.606 -1.507 13.184 1.00 0.00 C ATOM 76 CG1 ILE B 714 -11.016 -1.039 13.558 1.00 0.00 C ATOM 77 CG2 ILE B 714 -9.356 -1.217 11.701 1.00 0.00 C ATOM 78 CD1 ILE B 714 -11.060 0.489 13.572 1.00 0.00 C ATOM 0 H ILE B 714 -9.594 -2.440 15.458 1.00 0.00 H new ATOM 0 HA ILE B 714 -10.309 -3.529 12.953 1.00 0.00 H new ATOM 0 HB ILE B 714 -8.870 -0.977 13.788 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -11.741 -1.428 12.843 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -11.293 -1.430 14.537 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -9.443 -0.146 11.520 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -8.355 -1.550 11.429 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -10.092 -1.748 11.097 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -12.063 0.822 13.838 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -10.346 0.867 14.304 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -10.802 0.869 12.584 1.00 0.00 H new ATOM 90 N TRP B 715 -7.075 -3.259 13.579 1.00 0.00 N ATOM 91 CA TRP B 715 -5.759 -3.697 13.129 1.00 0.00 C ATOM 92 C TRP B 715 -5.744 -5.207 12.913 1.00 0.00 C ATOM 93 O TRP B 715 -5.170 -5.700 11.940 1.00 0.00 O ATOM 94 CB TRP B 715 -4.700 -3.317 14.165 1.00 0.00 C ATOM 95 CG TRP B 715 -3.348 -3.703 13.661 1.00 0.00 C ATOM 96 CD1 TRP B 715 -2.613 -4.740 14.124 1.00 0.00 C ATOM 97 CD2 TRP B 715 -2.558 -3.080 12.606 1.00 0.00 C ATOM 98 NE1 TRP B 715 -1.423 -4.793 13.423 1.00 0.00 N ATOM 99 CE2 TRP B 715 -1.341 -3.790 12.476 1.00 0.00 C ATOM 100 CE3 TRP B 715 -2.776 -1.978 11.761 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -0.375 -3.421 11.539 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -1.806 -1.604 10.816 1.00 0.00 C ATOM 103 CH2 TRP B 715 -0.609 -2.323 10.706 1.00 0.00 C ATOM 0 H TRP B 715 -7.074 -2.746 14.461 1.00 0.00 H new ATOM 0 HA TRP B 715 -5.535 -3.203 12.184 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -4.735 -2.245 14.360 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -4.904 -3.819 15.110 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -2.908 -5.416 14.913 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -0.694 -5.488 13.585 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -3.695 -1.415 11.839 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 0.546 -3.979 11.458 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -1.984 -0.757 10.170 1.00 0.00 H new ATOM 0 HH2 TRP B 715 0.133 -2.029 9.978 1.00 0.00 H new ATOM 114 N LYS B 716 -6.385 -5.934 13.819 1.00 0.00 N ATOM 115 CA LYS B 716 -6.448 -7.386 13.716 1.00 0.00 C ATOM 116 C LYS B 716 -7.192 -7.796 12.453 1.00 0.00 C ATOM 117 O LYS B 716 -6.873 -8.810 11.831 1.00 0.00 O ATOM 118 CB LYS B 716 -7.146 -7.972 14.945 1.00 0.00 C ATOM 119 CG LYS B 716 -6.259 -7.776 16.177 1.00 0.00 C ATOM 120 CD LYS B 716 -6.974 -8.323 17.414 1.00 0.00 C ATOM 121 CE LYS B 716 -6.121 -8.059 18.656 1.00 0.00 C ATOM 122 NZ LYS B 716 -4.811 -8.757 18.516 1.00 0.00 N ATOM 0 H LYS B 716 -6.866 -5.545 14.630 1.00 0.00 H new ATOM 0 HA LYS B 716 -5.431 -7.774 13.666 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -8.109 -7.485 15.096 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -7.345 -9.033 14.792 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -5.307 -8.288 16.038 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -6.035 -6.718 16.312 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -7.949 -7.849 17.522 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -7.150 -9.393 17.302 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -5.963 -6.988 18.781 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -6.639 -8.411 19.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -4.369 -8.856 19.452 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -4.962 -9.699 18.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -4.187 -8.203 17.895 1.00 0.00 H new ATOM 136 N LEU B 717 -8.200 -7.013 12.088 1.00 0.00 N ATOM 137 CA LEU B 717 -8.989 -7.324 10.911 1.00 0.00 C ATOM 138 C LEU B 717 -8.105 -7.342 9.667 1.00 0.00 C ATOM 139 O LEU B 717 -8.221 -8.230 8.818 1.00 0.00 O ATOM 140 CB LEU B 717 -10.105 -6.269 10.741 1.00 0.00 C ATOM 141 CG LEU B 717 -11.343 -6.921 10.101 1.00 0.00 C ATOM 142 CD1 LEU B 717 -10.943 -7.605 8.782 1.00 0.00 C ATOM 143 CD2 LEU B 717 -11.945 -7.966 11.076 1.00 0.00 C ATOM 0 H LEU B 717 -8.485 -6.169 12.585 1.00 0.00 H new ATOM 0 HA LEU B 717 -9.435 -8.310 11.038 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -10.366 -5.843 11.710 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -9.751 -5.448 10.117 1.00 0.00 H new ATOM 0 HG LEU B 717 -12.090 -6.154 9.894 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -11.821 -8.066 8.330 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -10.530 -6.863 8.098 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -10.193 -8.371 8.982 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -12.822 -8.426 10.620 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -11.202 -8.734 11.290 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -12.235 -7.473 12.004 1.00 0.00 H new ATOM 155 N LEU B 718 -7.228 -6.365 9.565 1.00 0.00 N ATOM 156 CA LEU B 718 -6.329 -6.283 8.420 1.00 0.00 C ATOM 157 C LEU B 718 -5.410 -7.499 8.386 1.00 0.00 C ATOM 158 O LEU B 718 -5.122 -8.039 7.317 1.00 0.00 O ATOM 159 CB LEU B 718 -5.495 -4.995 8.498 1.00 0.00 C ATOM 160 CG LEU B 718 -6.282 -3.830 7.890 1.00 0.00 C ATOM 161 CD1 LEU B 718 -7.581 -3.625 8.667 1.00 0.00 C ATOM 162 CD2 LEU B 718 -5.438 -2.559 7.960 1.00 0.00 C ATOM 0 H LEU B 718 -7.114 -5.620 10.252 1.00 0.00 H new ATOM 0 HA LEU B 718 -6.923 -6.266 7.506 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -5.245 -4.775 9.536 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -4.554 -5.128 7.965 1.00 0.00 H new ATOM 0 HG LEU B 718 -6.518 -4.055 6.850 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -8.138 -2.795 8.232 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -8.182 -4.533 8.616 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -7.350 -3.400 9.708 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -5.995 -1.728 7.528 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -5.202 -2.336 9.000 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -4.513 -2.705 7.402 1.00 0.00 H new ATOM 174 N ILE B 719 -4.939 -7.914 9.557 1.00 0.00 N ATOM 175 CA ILE B 719 -4.040 -9.055 9.641 1.00 0.00 C ATOM 176 C ILE B 719 -4.745 -10.314 9.140 1.00 0.00 C ATOM 177 O ILE B 719 -4.164 -11.108 8.402 1.00 0.00 O ATOM 178 CB ILE B 719 -3.603 -9.260 11.094 1.00 0.00 C ATOM 179 CG1 ILE B 719 -2.772 -8.054 11.544 1.00 0.00 C ATOM 180 CG2 ILE B 719 -2.746 -10.531 11.195 1.00 0.00 C ATOM 181 CD1 ILE B 719 -2.423 -8.187 13.032 1.00 0.00 C ATOM 0 H ILE B 719 -5.163 -7.481 10.453 1.00 0.00 H new ATOM 0 HA ILE B 719 -3.165 -8.863 9.020 1.00 0.00 H new ATOM 0 HB ILE B 719 -4.482 -9.361 11.730 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -1.859 -7.989 10.952 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -3.329 -7.133 11.373 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -2.434 -10.678 12.229 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -3.330 -11.391 10.866 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -1.865 -10.427 10.562 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -1.832 -7.326 13.345 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -3.341 -8.230 13.619 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -1.848 -9.099 13.191 1.00 0.00 H new ATOM 193 N THR B 720 -5.996 -10.491 9.550 1.00 0.00 N ATOM 194 CA THR B 720 -6.767 -11.659 9.139 1.00 0.00 C ATOM 195 C THR B 720 -6.925 -11.683 7.622 1.00 0.00 C ATOM 196 O THR B 720 -6.779 -12.727 6.989 1.00 0.00 O ATOM 197 CB THR B 720 -8.148 -11.633 9.798 1.00 0.00 C ATOM 198 OG1 THR B 720 -8.002 -11.402 11.192 1.00 0.00 O ATOM 199 CG2 THR B 720 -8.847 -12.976 9.573 1.00 0.00 C ATOM 0 H THR B 720 -6.495 -9.846 10.162 1.00 0.00 H new ATOM 0 HA THR B 720 -6.233 -12.556 9.454 1.00 0.00 H new ATOM 0 HB THR B 720 -8.746 -10.835 9.358 1.00 0.00 H new ATOM 0 HG1 THR B 720 -7.768 -10.463 11.345 1.00 0.00 H new ATOM 0 HG21 THR B 720 -9.831 -12.957 10.042 1.00 0.00 H new ATOM 0 HG22 THR B 720 -8.959 -13.153 8.503 1.00 0.00 H new ATOM 0 HG23 THR B 720 -8.250 -13.775 10.013 1.00 0.00 H new ATOM 207 N ILE B 721 -7.226 -10.524 7.045 1.00 0.00 N ATOM 208 CA ILE B 721 -7.404 -10.424 5.601 1.00 0.00 C ATOM 209 C ILE B 721 -6.098 -10.758 4.882 1.00 0.00 C ATOM 210 O ILE B 721 -6.097 -11.470 3.880 1.00 0.00 O ATOM 211 CB ILE B 721 -7.846 -9.008 5.227 1.00 0.00 C ATOM 212 CG1 ILE B 721 -9.252 -8.754 5.778 1.00 0.00 C ATOM 213 CG2 ILE B 721 -7.867 -8.863 3.701 1.00 0.00 C ATOM 214 CD1 ILE B 721 -9.580 -7.264 5.670 1.00 0.00 C ATOM 0 H ILE B 721 -7.351 -9.647 7.551 1.00 0.00 H new ATOM 0 HA ILE B 721 -8.171 -11.136 5.294 1.00 0.00 H new ATOM 0 HB ILE B 721 -7.148 -8.286 5.651 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -9.984 -9.340 5.221 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -9.310 -9.076 6.818 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -8.182 -7.854 3.436 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -6.869 -9.048 3.304 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -8.565 -9.584 3.277 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -10.581 -7.082 6.062 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -8.855 -6.689 6.246 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -9.539 -6.957 4.625 1.00 0.00 H new ATOM 226 N HIS B 722 -4.994 -10.234 5.392 1.00 0.00 N ATOM 227 CA HIS B 722 -3.691 -10.479 4.787 1.00 0.00 C ATOM 228 C HIS B 722 -3.312 -11.952 4.905 1.00 0.00 C ATOM 229 O HIS B 722 -2.547 -12.474 4.094 1.00 0.00 O ATOM 230 CB HIS B 722 -2.625 -9.620 5.469 1.00 0.00 C ATOM 231 CG HIS B 722 -1.285 -9.890 4.843 1.00 0.00 C ATOM 232 ND1 HIS B 722 -0.951 -9.427 3.579 1.00 0.00 N ATOM 233 CD2 HIS B 722 -0.183 -10.574 5.295 1.00 0.00 C ATOM 234 CE1 HIS B 722 0.304 -9.837 3.316 1.00 0.00 C ATOM 235 NE2 HIS B 722 0.818 -10.539 4.329 1.00 0.00 N ATOM 0 H HIS B 722 -4.972 -9.639 6.220 1.00 0.00 H new ATOM 0 HA HIS B 722 -3.749 -10.214 3.731 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -2.877 -8.564 5.372 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -2.591 -9.843 6.535 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -0.105 -11.064 6.254 1.00 0.00 H new ATOM 0 HE1 HIS B 722 0.831 -9.624 2.398 1.00 0.00 H new ATOM 0 HE2 HIS B 722 1.746 -10.960 4.383 1.00 0.00 H new ATOM 244 N ASP B 723 -3.847 -12.613 5.925 1.00 0.00 N ATOM 245 CA ASP B 723 -3.553 -14.025 6.146 1.00 0.00 C ATOM 246 C ASP B 723 -4.256 -14.888 5.104 1.00 0.00 C ATOM 247 O ASP B 723 -4.030 -16.096 5.032 1.00 0.00 O ATOM 248 CB ASP B 723 -4.007 -14.440 7.547 1.00 0.00 C ATOM 249 CG ASP B 723 -3.125 -13.776 8.598 1.00 0.00 C ATOM 250 OD1 ASP B 723 -2.084 -13.256 8.228 1.00 0.00 O ATOM 251 OD2 ASP B 723 -3.502 -13.796 9.757 1.00 0.00 O ATOM 0 H ASP B 723 -4.482 -12.199 6.607 1.00 0.00 H new ATOM 0 HA ASP B 723 -2.477 -14.171 6.055 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -5.048 -14.155 7.701 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -3.955 -15.524 7.649 1.00 0.00 H new ATOM 256 N ARG B 724 -5.112 -14.262 4.301 1.00 0.00 N ATOM 257 CA ARG B 724 -5.843 -14.989 3.267 1.00 0.00 C ATOM 258 C ARG B 724 -4.994 -15.120 2.007 1.00 0.00 C ATOM 259 O ARG B 724 -4.375 -14.154 1.558 1.00 0.00 O ATOM 260 CB ARG B 724 -7.143 -14.254 2.935 1.00 0.00 C ATOM 261 CG ARG B 724 -8.041 -14.218 4.173 1.00 0.00 C ATOM 262 CD ARG B 724 -9.311 -13.425 3.863 1.00 0.00 C ATOM 263 NE ARG B 724 -10.099 -14.117 2.846 1.00 0.00 N ATOM 264 CZ ARG B 724 -10.958 -15.078 3.176 1.00 0.00 C ATOM 265 NH1 ARG B 724 -11.106 -15.417 4.429 1.00 0.00 N ATOM 266 NH2 ARG B 724 -11.651 -15.680 2.250 1.00 0.00 N ATOM 0 H ARG B 724 -5.315 -13.263 4.345 1.00 0.00 H new ATOM 0 HA ARG B 724 -6.075 -15.986 3.641 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -6.924 -13.239 2.602 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -7.657 -14.755 2.115 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -8.299 -15.232 4.477 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -7.509 -13.761 5.007 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -9.902 -13.301 4.770 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -9.049 -12.426 3.514 1.00 0.00 H new ATOM 0 HE ARG B 724 -9.989 -13.859 1.865 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -10.563 -14.945 5.152 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -11.764 -16.153 4.684 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -11.535 -15.414 1.272 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -12.309 -16.417 2.504 1.00 0.00 H new ATOM 280 N LYS B 725 -4.968 -16.321 1.443 1.00 0.00 N ATOM 281 CA LYS B 725 -4.193 -16.571 0.235 1.00 0.00 C ATOM 282 C LYS B 725 -4.747 -15.772 -0.939 1.00 0.00 C ATOM 283 O LYS B 725 -3.992 -15.253 -1.761 1.00 0.00 O ATOM 284 CB LYS B 725 -4.213 -18.060 -0.105 1.00 0.00 C ATOM 285 CG LYS B 725 -3.448 -18.840 0.967 1.00 0.00 C ATOM 286 CD LYS B 725 -3.318 -20.307 0.541 1.00 0.00 C ATOM 287 CE LYS B 725 -4.686 -20.992 0.598 1.00 0.00 C ATOM 288 NZ LYS B 725 -4.505 -22.468 0.576 1.00 0.00 N ATOM 0 H LYS B 725 -5.472 -17.133 1.800 1.00 0.00 H new ATOM 0 HA LYS B 725 -3.166 -16.256 0.420 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -5.241 -18.416 -0.164 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -3.761 -18.227 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -2.460 -18.404 1.112 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -3.970 -18.773 1.922 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -2.914 -20.366 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -2.616 -20.823 1.196 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -5.216 -20.694 1.503 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -5.297 -20.678 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -5.435 -22.932 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -4.016 -22.745 -0.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -3.938 -22.760 1.397 1.00 0.00 H new ATOM 302 N GLU B 726 -6.073 -15.690 -1.019 1.00 0.00 N ATOM 303 CA GLU B 726 -6.715 -14.964 -2.109 1.00 0.00 C ATOM 304 C GLU B 726 -6.256 -13.509 -2.129 1.00 0.00 C ATOM 305 O GLU B 726 -5.914 -12.972 -3.184 1.00 0.00 O ATOM 306 CB GLU B 726 -8.236 -15.016 -1.938 1.00 0.00 C ATOM 307 CG GLU B 726 -8.727 -16.450 -2.147 1.00 0.00 C ATOM 308 CD GLU B 726 -10.228 -16.529 -1.890 1.00 0.00 C ATOM 309 OE1 GLU B 726 -10.811 -15.504 -1.580 1.00 0.00 O ATOM 310 OE2 GLU B 726 -10.773 -17.614 -2.009 1.00 0.00 O ATOM 0 H GLU B 726 -6.717 -16.112 -0.350 1.00 0.00 H new ATOM 0 HA GLU B 726 -6.434 -15.434 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -8.512 -14.668 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -8.716 -14.349 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -8.506 -16.774 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -8.198 -17.126 -1.475 1.00 0.00 H new ATOM 317 N PHE B 727 -6.232 -12.880 -0.960 1.00 0.00 N ATOM 318 CA PHE B 727 -5.796 -11.497 -0.857 1.00 0.00 C ATOM 319 C PHE B 727 -4.305 -11.381 -1.146 1.00 0.00 C ATOM 320 O PHE B 727 -3.859 -10.420 -1.771 1.00 0.00 O ATOM 321 CB PHE B 727 -6.098 -10.960 0.544 1.00 0.00 C ATOM 322 CG PHE B 727 -7.575 -10.662 0.668 1.00 0.00 C ATOM 323 CD1 PHE B 727 -8.496 -11.712 0.754 1.00 0.00 C ATOM 324 CD2 PHE B 727 -8.022 -9.335 0.694 1.00 0.00 C ATOM 325 CE1 PHE B 727 -9.863 -11.436 0.867 1.00 0.00 C ATOM 326 CE2 PHE B 727 -9.389 -9.059 0.807 1.00 0.00 C ATOM 327 CZ PHE B 727 -10.310 -10.109 0.893 1.00 0.00 C ATOM 0 H PHE B 727 -6.508 -13.305 -0.075 1.00 0.00 H new ATOM 0 HA PHE B 727 -6.339 -10.906 -1.595 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -5.800 -11.691 1.296 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -5.518 -10.056 0.730 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -8.152 -12.735 0.733 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -7.311 -8.525 0.627 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -10.574 -12.246 0.934 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -9.733 -8.036 0.828 1.00 0.00 H new ATOM 0 HZ PHE B 727 -11.365 -9.896 0.979 1.00 0.00 H new ATOM 337 N ALA B 728 -3.537 -12.362 -0.680 1.00 0.00 N ATOM 338 CA ALA B 728 -2.095 -12.351 -0.888 1.00 0.00 C ATOM 339 C ALA B 728 -1.769 -12.317 -2.375 1.00 0.00 C ATOM 340 O ALA B 728 -0.886 -11.579 -2.804 1.00 0.00 O ATOM 341 CB ALA B 728 -1.470 -13.598 -0.259 1.00 0.00 C ATOM 0 H ALA B 728 -3.886 -13.167 -0.161 1.00 0.00 H new ATOM 0 HA ALA B 728 -1.685 -11.458 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -0.392 -13.584 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -1.679 -13.610 0.811 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -1.893 -14.490 -0.721 1.00 0.00 H new ATOM 347 N LYS B 729 -2.496 -13.112 -3.156 1.00 0.00 N ATOM 348 CA LYS B 729 -2.279 -13.159 -4.598 1.00 0.00 C ATOM 349 C LYS B 729 -2.572 -11.801 -5.231 1.00 0.00 C ATOM 350 O LYS B 729 -1.861 -11.357 -6.130 1.00 0.00 O ATOM 351 CB LYS B 729 -3.181 -14.222 -5.228 1.00 0.00 C ATOM 352 CG LYS B 729 -2.712 -15.611 -4.793 1.00 0.00 C ATOM 353 CD LYS B 729 -3.626 -16.673 -5.408 1.00 0.00 C ATOM 354 CE LYS B 729 -3.155 -18.064 -4.978 1.00 0.00 C ATOM 355 NZ LYS B 729 -4.053 -19.096 -5.566 1.00 0.00 N ATOM 0 H LYS B 729 -3.235 -13.728 -2.817 1.00 0.00 H new ATOM 0 HA LYS B 729 -1.235 -13.414 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -4.215 -14.064 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -3.153 -14.141 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -1.682 -15.775 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -2.727 -15.688 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -4.655 -16.511 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -3.614 -16.593 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -2.129 -18.230 -5.306 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -3.158 -18.141 -3.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -3.733 -20.042 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -5.026 -18.941 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -4.028 -19.027 -6.603 1.00 0.00 H new ATOM 369 N PHE B 730 -3.626 -11.145 -4.755 1.00 0.00 N ATOM 370 CA PHE B 730 -4.001 -9.839 -5.274 1.00 0.00 C ATOM 371 C PHE B 730 -2.941 -8.796 -4.927 1.00 0.00 C ATOM 372 O PHE B 730 -2.650 -7.903 -5.722 1.00 0.00 O ATOM 373 CB PHE B 730 -5.353 -9.416 -4.701 1.00 0.00 C ATOM 374 CG PHE B 730 -5.690 -8.025 -5.183 1.00 0.00 C ATOM 375 CD1 PHE B 730 -6.205 -7.834 -6.471 1.00 0.00 C ATOM 376 CD2 PHE B 730 -5.489 -6.926 -4.341 1.00 0.00 C ATOM 377 CE1 PHE B 730 -6.517 -6.545 -6.916 1.00 0.00 C ATOM 378 CE2 PHE B 730 -5.801 -5.637 -4.785 1.00 0.00 C ATOM 379 CZ PHE B 730 -6.316 -5.445 -6.073 1.00 0.00 C ATOM 0 H PHE B 730 -4.232 -11.497 -4.014 1.00 0.00 H new ATOM 0 HA PHE B 730 -4.077 -9.909 -6.359 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -6.127 -10.118 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -5.321 -9.437 -3.612 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -6.361 -8.682 -7.121 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -5.093 -7.073 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -6.913 -6.398 -7.910 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -5.645 -4.789 -4.134 1.00 0.00 H new ATOM 0 HZ PHE B 730 -6.558 -4.450 -6.416 1.00 0.00 H new ATOM 389 N GLU B 731 -2.391 -8.900 -3.718 1.00 0.00 N ATOM 390 CA GLU B 731 -1.385 -7.945 -3.267 1.00 0.00 C ATOM 391 C GLU B 731 -0.176 -7.941 -4.199 1.00 0.00 C ATOM 392 O GLU B 731 0.279 -6.882 -4.640 1.00 0.00 O ATOM 393 CB GLU B 731 -0.938 -8.298 -1.849 1.00 0.00 C ATOM 394 CG GLU B 731 -2.033 -7.919 -0.854 1.00 0.00 C ATOM 395 CD GLU B 731 -2.159 -6.402 -0.762 1.00 0.00 C ATOM 396 OE1 GLU B 731 -1.307 -5.726 -1.310 1.00 0.00 O ATOM 397 OE2 GLU B 731 -3.106 -5.942 -0.145 1.00 0.00 O ATOM 0 H GLU B 731 -2.623 -9.627 -3.042 1.00 0.00 H new ATOM 0 HA GLU B 731 -1.830 -6.950 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -0.724 -9.365 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -0.015 -7.771 -1.607 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -2.984 -8.352 -1.166 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -1.801 -8.332 0.128 1.00 0.00 H new ATOM 404 N GLU B 732 0.333 -9.132 -4.497 1.00 0.00 N ATOM 405 CA GLU B 732 1.482 -9.265 -5.378 1.00 0.00 C ATOM 406 C GLU B 732 1.131 -8.844 -6.798 1.00 0.00 C ATOM 407 O GLU B 732 1.935 -8.216 -7.489 1.00 0.00 O ATOM 408 CB GLU B 732 2.008 -10.695 -5.364 1.00 0.00 C ATOM 409 CG GLU B 732 0.865 -11.639 -5.654 1.00 0.00 C ATOM 410 CD GLU B 732 1.350 -13.085 -5.641 1.00 0.00 C ATOM 411 OE1 GLU B 732 2.174 -13.400 -4.803 1.00 0.00 O ATOM 412 OE2 GLU B 732 0.890 -13.855 -6.471 1.00 0.00 O ATOM 0 H GLU B 732 -0.033 -10.015 -4.141 1.00 0.00 H new ATOM 0 HA GLU B 732 2.266 -8.603 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU B 732 2.794 -10.815 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU B 732 2.450 -10.925 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU B 732 0.079 -11.506 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU B 732 0.429 -11.404 -6.625 1.00 0.00 H new ATOM 419 N GLU B 733 -0.075 -9.186 -7.223 1.00 0.00 N ATOM 420 CA GLU B 733 -0.532 -8.839 -8.560 1.00 0.00 C ATOM 421 C GLU B 733 -0.689 -7.330 -8.698 1.00 0.00 C ATOM 422 O GLU B 733 -0.430 -6.770 -9.763 1.00 0.00 O ATOM 423 CB GLU B 733 -1.868 -9.531 -8.855 1.00 0.00 C ATOM 424 CG GLU B 733 -1.631 -11.012 -9.159 1.00 0.00 C ATOM 425 CD GLU B 733 -2.964 -11.727 -9.346 1.00 0.00 C ATOM 426 OE1 GLU B 733 -3.985 -11.064 -9.275 1.00 0.00 O ATOM 427 OE2 GLU B 733 -2.943 -12.929 -9.555 1.00 0.00 O ATOM 0 H GLU B 733 -0.754 -9.702 -6.663 1.00 0.00 H new ATOM 0 HA GLU B 733 0.214 -9.179 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -2.537 -9.429 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -2.357 -9.051 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -1.025 -11.114 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -1.073 -11.474 -8.345 1.00 0.00 H new ATOM 434 N ARG B 734 -1.123 -6.676 -7.619 1.00 0.00 N ATOM 435 CA ARG B 734 -1.316 -5.238 -7.644 1.00 0.00 C ATOM 436 C ARG B 734 -0.005 -4.527 -7.949 1.00 0.00 C ATOM 437 O ARG B 734 0.036 -3.610 -8.766 1.00 0.00 O ATOM 438 CB ARG B 734 -1.848 -4.771 -6.290 1.00 0.00 C ATOM 439 CG ARG B 734 -2.152 -3.276 -6.352 1.00 0.00 C ATOM 440 CD ARG B 734 -2.787 -2.833 -5.037 1.00 0.00 C ATOM 441 NE ARG B 734 -1.834 -2.958 -3.941 1.00 0.00 N ATOM 442 CZ ARG B 734 -2.200 -2.744 -2.681 1.00 0.00 C ATOM 443 NH1 ARG B 734 -3.433 -2.412 -2.405 1.00 0.00 N ATOM 444 NH2 ARG B 734 -1.328 -2.867 -1.718 1.00 0.00 N ATOM 0 H ARG B 734 -1.344 -7.121 -6.728 1.00 0.00 H new ATOM 0 HA ARG B 734 -2.035 -4.995 -8.426 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -2.749 -5.326 -6.030 1.00 0.00 H new ATOM 0 HB3 ARG B 734 -1.114 -4.972 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG B 734 -1.236 -2.715 -6.533 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -2.825 -3.065 -7.183 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -3.122 -1.799 -5.119 1.00 0.00 H new ATOM 0 HD3 ARG B 734 -3.669 -3.439 -4.830 1.00 0.00 H new ATOM 0 HE ARG B 734 -0.868 -3.215 -4.145 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -4.116 -2.317 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -3.713 -2.248 -1.438 1.00 0.00 H new ATOM 0 HH21 ARG B 734 -0.365 -3.127 -1.932 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -1.609 -2.703 -0.751 1.00 0.00 H new ATOM 458 N ALA B 735 1.064 -4.961 -7.290 1.00 0.00 N ATOM 459 CA ALA B 735 2.377 -4.359 -7.506 1.00 0.00 C ATOM 460 C ALA B 735 2.854 -4.604 -8.935 1.00 0.00 C ATOM 461 O ALA B 735 3.476 -3.739 -9.545 1.00 0.00 O ATOM 462 CB ALA B 735 3.390 -4.946 -6.521 1.00 0.00 C ATOM 0 H ALA B 735 1.050 -5.720 -6.608 1.00 0.00 H new ATOM 0 HA ALA B 735 2.292 -3.285 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA B 735 4.366 -4.492 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA B 735 3.066 -4.742 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA B 735 3.461 -6.023 -6.671 1.00 0.00 H new ATOM 468 N ARG B 736 2.559 -5.789 -9.462 1.00 0.00 N ATOM 469 CA ARG B 736 2.959 -6.134 -10.815 1.00 0.00 C ATOM 470 C ARG B 736 2.234 -5.258 -11.831 1.00 0.00 C ATOM 471 O ARG B 736 2.803 -4.872 -12.852 1.00 0.00 O ATOM 472 CB ARG B 736 2.648 -7.603 -11.087 1.00 0.00 C ATOM 473 CG ARG B 736 3.602 -8.488 -10.284 1.00 0.00 C ATOM 474 CD ARG B 736 3.261 -9.960 -10.523 1.00 0.00 C ATOM 475 NE ARG B 736 4.171 -10.819 -9.772 1.00 0.00 N ATOM 476 CZ ARG B 736 4.002 -12.137 -9.739 1.00 0.00 C ATOM 477 NH1 ARG B 736 3.011 -12.684 -10.388 1.00 0.00 N ATOM 478 NH2 ARG B 736 4.829 -12.883 -9.060 1.00 0.00 N ATOM 0 H ARG B 736 2.046 -6.522 -8.972 1.00 0.00 H new ATOM 0 HA ARG B 736 4.031 -5.965 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG B 736 1.616 -7.823 -10.814 1.00 0.00 H new ATOM 0 HB3 ARG B 736 2.749 -7.815 -12.151 1.00 0.00 H new ATOM 0 HG2 ARG B 736 4.633 -8.291 -10.579 1.00 0.00 H new ATOM 0 HG3 ARG B 736 3.524 -8.254 -9.222 1.00 0.00 H new ATOM 0 HD2 ARG B 736 2.232 -10.156 -10.220 1.00 0.00 H new ATOM 0 HD3 ARG B 736 3.329 -10.188 -11.587 1.00 0.00 H new ATOM 0 HE ARG B 736 4.950 -10.401 -9.264 1.00 0.00 H new ATOM 0 HH11 ARG B 736 2.366 -12.100 -10.921 1.00 0.00 H new ATOM 0 HH12 ARG B 736 2.881 -13.695 -10.363 1.00 0.00 H new ATOM 0 HH21 ARG B 736 5.605 -12.455 -8.555 1.00 0.00 H new ATOM 0 HH22 ARG B 736 4.700 -13.894 -9.034 1.00 0.00 H new ATOM 598 N ASN B 744 7.680 4.623 -13.384 1.00 0.00 N ATOM 599 CA ASN B 744 8.562 5.669 -13.860 1.00 0.00 C ATOM 600 C ASN B 744 9.315 6.316 -12.695 1.00 0.00 C ATOM 601 O ASN B 744 8.777 6.436 -11.592 1.00 0.00 O ATOM 602 CB ASN B 744 7.770 6.743 -14.607 1.00 0.00 C ATOM 603 CG ASN B 744 7.254 6.180 -15.924 1.00 0.00 C ATOM 604 OD1 ASN B 744 7.465 5.003 -16.220 1.00 0.00 O ATOM 605 ND2 ASN B 744 6.587 6.951 -16.734 1.00 0.00 N ATOM 0 HA ASN B 744 9.281 5.213 -14.541 1.00 0.00 H new ATOM 0 HB2 ASN B 744 6.935 7.084 -13.995 1.00 0.00 H new ATOM 0 HB3 ASN B 744 8.403 7.610 -14.795 1.00 0.00 H new ATOM 0 HD21 ASN B 744 6.237 6.581 -17.618 1.00 0.00 H new ATOM 0 HD22 ASN B 744 6.415 7.925 -16.485 1.00 0.00 H new ATOM 612 N PRO B 745 10.537 6.726 -12.916 1.00 0.00 N ATOM 613 CA PRO B 745 11.373 7.373 -11.861 1.00 0.00 C ATOM 614 C PRO B 745 10.823 8.724 -11.427 1.00 0.00 C ATOM 615 O PRO B 745 10.981 9.132 -10.277 1.00 0.00 O ATOM 616 CB PRO B 745 12.752 7.508 -12.526 1.00 0.00 C ATOM 617 CG PRO B 745 12.481 7.504 -13.996 1.00 0.00 C ATOM 618 CD PRO B 745 11.253 6.631 -14.196 1.00 0.00 C ATOM 0 HA PRO B 745 11.399 6.789 -10.941 1.00 0.00 H new ATOM 0 HB2 PRO B 745 13.248 8.429 -12.220 1.00 0.00 H new ATOM 0 HB3 PRO B 745 13.407 6.684 -12.244 1.00 0.00 H new ATOM 0 HG2 PRO B 745 12.304 8.515 -14.362 1.00 0.00 H new ATOM 0 HG3 PRO B 745 13.334 7.109 -14.548 1.00 0.00 H new ATOM 0 HD2 PRO B 745 10.640 6.988 -15.024 1.00 0.00 H new ATOM 0 HD3 PRO B 745 11.528 5.601 -14.424 1.00 0.00 H new ATOM 626 N LEU B 746 10.183 9.409 -12.354 1.00 0.00 N ATOM 627 CA LEU B 746 9.610 10.715 -12.070 1.00 0.00 C ATOM 628 C LEU B 746 8.510 10.596 -11.028 1.00 0.00 C ATOM 629 O LEU B 746 8.290 11.512 -10.233 1.00 0.00 O ATOM 630 CB LEU B 746 9.044 11.331 -13.351 1.00 0.00 C ATOM 631 CG LEU B 746 10.193 11.648 -14.322 1.00 0.00 C ATOM 632 CD1 LEU B 746 9.613 12.020 -15.690 1.00 0.00 C ATOM 633 CD2 LEU B 746 11.038 12.820 -13.784 1.00 0.00 C ATOM 0 H LEU B 746 10.045 9.085 -13.311 1.00 0.00 H new ATOM 0 HA LEU B 746 10.397 11.360 -11.680 1.00 0.00 H new ATOM 0 HB2 LEU B 746 8.340 10.642 -13.817 1.00 0.00 H new ATOM 0 HB3 LEU B 746 8.492 12.241 -13.116 1.00 0.00 H new ATOM 0 HG LEU B 746 10.830 10.769 -14.418 1.00 0.00 H new ATOM 0 HD11 LEU B 746 10.426 12.245 -16.381 1.00 0.00 H new ATOM 0 HD12 LEU B 746 9.029 11.185 -16.077 1.00 0.00 H new ATOM 0 HD13 LEU B 746 8.971 12.895 -15.587 1.00 0.00 H new ATOM 0 HD21 LEU B 746 11.848 13.034 -14.481 1.00 0.00 H new ATOM 0 HD22 LEU B 746 10.408 13.703 -13.677 1.00 0.00 H new ATOM 0 HD23 LEU B 746 11.456 12.552 -12.813 1.00 0.00 H new ATOM 645 N TYR B 747 7.817 9.465 -11.043 1.00 0.00 N ATOM 646 CA TYR B 747 6.733 9.236 -10.096 1.00 0.00 C ATOM 647 C TYR B 747 7.261 9.221 -8.667 1.00 0.00 C ATOM 648 O TYR B 747 6.684 9.835 -7.770 1.00 0.00 O ATOM 649 CB TYR B 747 6.042 7.908 -10.405 1.00 0.00 C ATOM 650 CG TYR B 747 4.889 7.702 -9.448 1.00 0.00 C ATOM 651 CD1 TYR B 747 3.736 8.491 -9.564 1.00 0.00 C ATOM 652 CD2 TYR B 747 4.970 6.726 -8.448 1.00 0.00 C ATOM 653 CE1 TYR B 747 2.668 8.302 -8.679 1.00 0.00 C ATOM 654 CE2 TYR B 747 3.902 6.537 -7.565 1.00 0.00 C ATOM 655 CZ TYR B 747 2.752 7.326 -7.679 1.00 0.00 C ATOM 656 OH TYR B 747 1.698 7.140 -6.807 1.00 0.00 O ATOM 0 H TYR B 747 7.984 8.698 -11.694 1.00 0.00 H new ATOM 0 HA TYR B 747 6.014 10.049 -10.193 1.00 0.00 H new ATOM 0 HB2 TYR B 747 5.680 7.905 -11.433 1.00 0.00 H new ATOM 0 HB3 TYR B 747 6.753 7.087 -10.316 1.00 0.00 H new ATOM 0 HD1 TYR B 747 3.672 9.244 -10.336 1.00 0.00 H new ATOM 0 HD2 TYR B 747 5.858 6.118 -8.358 1.00 0.00 H new ATOM 0 HE1 TYR B 747 1.779 8.909 -8.768 1.00 0.00 H new ATOM 0 HE2 TYR B 747 3.965 5.782 -6.795 1.00 0.00 H new ATOM 0 HH TYR B 747 1.918 6.423 -6.176 1.00 0.00 H new ATOM 666 N LYS B 748 8.359 8.508 -8.465 1.00 0.00 N ATOM 667 CA LYS B 748 8.964 8.411 -7.135 1.00 0.00 C ATOM 668 C LYS B 748 9.445 9.782 -6.670 1.00 0.00 C ATOM 669 O LYS B 748 9.244 10.164 -5.517 1.00 0.00 O ATOM 670 CB LYS B 748 10.148 7.441 -7.168 1.00 0.00 C ATOM 671 CG LYS B 748 9.647 6.040 -7.515 1.00 0.00 C ATOM 672 CD LYS B 748 10.827 5.065 -7.544 1.00 0.00 C ATOM 673 CE LYS B 748 10.316 3.651 -7.830 1.00 0.00 C ATOM 674 NZ LYS B 748 9.702 3.609 -9.187 1.00 0.00 N ATOM 0 H LYS B 748 8.849 7.991 -9.195 1.00 0.00 H new ATOM 0 HA LYS B 748 8.211 8.042 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS B 748 10.881 7.770 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS B 748 10.651 7.430 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS B 748 8.911 5.714 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS B 748 9.147 6.051 -8.484 1.00 0.00 H new ATOM 0 HD2 LYS B 748 11.542 5.366 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS B 748 11.353 5.087 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS B 748 11.137 2.937 -7.769 1.00 0.00 H new ATOM 0 HE3 LYS B 748 9.583 3.359 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 9.633 2.622 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 8.751 4.028 -9.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 10.293 4.148 -9.852 1.00 0.00 H new ATOM 688 N GLU B 749 10.078 10.517 -7.576 1.00 0.00 N ATOM 689 CA GLU B 749 10.581 11.849 -7.248 1.00 0.00 C ATOM 690 C GLU B 749 9.440 12.764 -6.821 1.00 0.00 C ATOM 691 O GLU B 749 9.580 13.560 -5.891 1.00 0.00 O ATOM 692 CB GLU B 749 11.296 12.453 -8.459 1.00 0.00 C ATOM 693 CG GLU B 749 12.577 11.667 -8.742 1.00 0.00 C ATOM 694 CD GLU B 749 13.250 12.202 -10.001 1.00 0.00 C ATOM 695 OE1 GLU B 749 12.727 13.145 -10.573 1.00 0.00 O ATOM 696 OE2 GLU B 749 14.278 11.663 -10.375 1.00 0.00 O ATOM 0 H GLU B 749 10.255 10.219 -8.535 1.00 0.00 H new ATOM 0 HA GLU B 749 11.285 11.755 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU B 749 10.642 12.428 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU B 749 11.534 13.500 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU B 749 13.257 11.747 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU B 749 12.345 10.609 -8.865 1.00 0.00 H new ATOM 703 N ALA B 750 8.309 12.638 -7.499 1.00 0.00 N ATOM 704 CA ALA B 750 7.140 13.454 -7.180 1.00 0.00 C ATOM 705 C ALA B 750 6.622 13.122 -5.784 1.00 0.00 C ATOM 706 O ALA B 750 6.157 14.001 -5.059 1.00 0.00 O ATOM 707 CB ALA B 750 6.032 13.212 -8.207 1.00 0.00 C ATOM 0 H ALA B 750 8.173 11.984 -8.269 1.00 0.00 H new ATOM 0 HA ALA B 750 7.436 14.503 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA B 750 5.166 13.825 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA B 750 6.393 13.478 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA B 750 5.747 12.160 -8.194 1.00 0.00 H new ATOM 713 N THR B 751 6.707 11.848 -5.414 1.00 0.00 N ATOM 714 CA THR B 751 6.239 11.411 -4.104 1.00 0.00 C ATOM 715 C THR B 751 7.018 12.116 -2.998 1.00 0.00 C ATOM 716 O THR B 751 6.432 12.603 -2.030 1.00 0.00 O ATOM 717 CB THR B 751 6.415 9.898 -3.967 1.00 0.00 C ATOM 718 OG1 THR B 751 5.870 9.253 -5.110 1.00 0.00 O ATOM 719 CG2 THR B 751 5.692 9.408 -2.711 1.00 0.00 C ATOM 0 H THR B 751 7.092 11.106 -5.998 1.00 0.00 H new ATOM 0 HA THR B 751 5.183 11.665 -4.011 1.00 0.00 H new ATOM 0 HB THR B 751 7.476 9.663 -3.887 1.00 0.00 H new ATOM 0 HG1 THR B 751 6.399 9.488 -5.901 1.00 0.00 H new ATOM 0 HG21 THR B 751 5.819 8.330 -2.616 1.00 0.00 H new ATOM 0 HG22 THR B 751 6.111 9.902 -1.834 1.00 0.00 H new ATOM 0 HG23 THR B 751 4.630 9.643 -2.787 1.00 0.00 H new ATOM 727 N SER B 752 8.334 12.174 -3.150 1.00 0.00 N ATOM 728 CA SER B 752 9.181 12.828 -2.160 1.00 0.00 C ATOM 729 C SER B 752 8.801 14.297 -2.015 1.00 0.00 C ATOM 730 O SER B 752 8.813 14.848 -0.914 1.00 0.00 O ATOM 731 CB SER B 752 10.649 12.715 -2.569 1.00 0.00 C ATOM 732 OG SER B 752 11.039 11.347 -2.543 1.00 0.00 O ATOM 0 H SER B 752 8.837 11.779 -3.945 1.00 0.00 H new ATOM 0 HA SER B 752 9.034 12.331 -1.201 1.00 0.00 H new ATOM 0 HB2 SER B 752 10.793 13.128 -3.568 1.00 0.00 H new ATOM 0 HB3 SER B 752 11.273 13.296 -1.891 1.00 0.00 H new ATOM 0 HG SER B 752 11.980 11.270 -2.806 1.00 0.00 H new ATOM 738 N THR B 753 8.464 14.923 -3.134 1.00 0.00 N ATOM 739 CA THR B 753 8.082 16.332 -3.126 1.00 0.00 C ATOM 740 C THR B 753 6.812 16.536 -2.313 1.00 0.00 C ATOM 741 O THR B 753 6.721 17.462 -1.517 1.00 0.00 O ATOM 742 CB THR B 753 7.863 16.828 -4.556 1.00 0.00 C ATOM 743 OG1 THR B 753 9.076 16.713 -5.287 1.00 0.00 O ATOM 744 CG2 THR B 753 7.419 18.292 -4.531 1.00 0.00 C ATOM 0 H THR B 753 8.447 14.483 -4.054 1.00 0.00 H new ATOM 0 HA THR B 753 8.889 16.903 -2.668 1.00 0.00 H new ATOM 0 HB THR B 753 7.091 16.225 -5.034 1.00 0.00 H new ATOM 0 HG1 THR B 753 9.261 15.768 -5.467 1.00 0.00 H new ATOM 0 HG21 THR B 753 7.264 18.643 -5.551 1.00 0.00 H new ATOM 0 HG22 THR B 753 6.488 18.380 -3.971 1.00 0.00 H new ATOM 0 HG23 THR B 753 8.189 18.898 -4.052 1.00 0.00 H new ATOM 752 N PHE B 754 5.839 15.667 -2.518 1.00 0.00 N ATOM 753 CA PHE B 754 4.569 15.765 -1.799 1.00 0.00 C ATOM 754 C PHE B 754 4.800 15.686 -0.304 1.00 0.00 C ATOM 755 O PHE B 754 4.217 16.453 0.450 1.00 0.00 O ATOM 756 CB PHE B 754 3.635 14.634 -2.239 1.00 0.00 C ATOM 757 CG PHE B 754 2.241 14.895 -1.718 1.00 0.00 C ATOM 758 CD1 PHE B 754 1.528 16.020 -2.164 1.00 0.00 C ATOM 759 CD2 PHE B 754 1.654 14.022 -0.794 1.00 0.00 C ATOM 760 CE1 PHE B 754 0.239 16.268 -1.685 1.00 0.00 C ATOM 761 CE2 PHE B 754 0.363 14.271 -0.317 1.00 0.00 C ATOM 762 CZ PHE B 754 -0.344 15.395 -0.761 1.00 0.00 C ATOM 0 H PHE B 754 5.897 14.887 -3.172 1.00 0.00 H new ATOM 0 HA PHE B 754 4.109 16.725 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE B 754 3.620 14.564 -3.327 1.00 0.00 H new ATOM 0 HB3 PHE B 754 4.002 13.679 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE B 754 1.977 16.694 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE B 754 2.199 13.155 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE B 754 -0.307 17.134 -2.028 1.00 0.00 H new ATOM 0 HE2 PHE B 754 -0.089 13.596 0.394 1.00 0.00 H new ATOM 0 HZ PHE B 754 -1.340 15.588 -0.390 1.00 0.00 H new ATOM 772 N THR B 755 5.658 14.770 0.115 1.00 0.00 N ATOM 773 CA THR B 755 5.961 14.613 1.532 1.00 0.00 C ATOM 774 C THR B 755 6.575 15.890 2.098 1.00 0.00 C ATOM 775 O THR B 755 6.334 16.250 3.248 1.00 0.00 O ATOM 776 CB THR B 755 6.930 13.445 1.733 1.00 0.00 C ATOM 777 OG1 THR B 755 6.488 12.329 0.972 1.00 0.00 O ATOM 778 CG2 THR B 755 6.980 13.066 3.214 1.00 0.00 C ATOM 0 H THR B 755 6.156 14.126 -0.500 1.00 0.00 H new ATOM 0 HA THR B 755 5.030 14.409 2.061 1.00 0.00 H new ATOM 0 HB THR B 755 7.926 13.740 1.403 1.00 0.00 H new ATOM 0 HG1 THR B 755 7.108 11.581 1.098 1.00 0.00 H new ATOM 0 HG21 THR B 755 7.671 12.234 3.354 1.00 0.00 H new ATOM 0 HG22 THR B 755 7.320 13.922 3.797 1.00 0.00 H new ATOM 0 HG23 THR B 755 5.985 12.771 3.548 1.00 0.00 H new ATOM 786 N ASN B 756 7.383 16.558 1.289 1.00 0.00 N ATOM 787 CA ASN B 756 8.041 17.784 1.727 1.00 0.00 C ATOM 788 C ASN B 756 7.011 18.843 2.092 1.00 0.00 C ATOM 789 O ASN B 756 7.150 19.535 3.100 1.00 0.00 O ATOM 790 CB ASN B 756 8.949 18.318 0.616 1.00 0.00 C ATOM 791 CG ASN B 756 9.666 19.577 1.085 1.00 0.00 C ATOM 792 OD1 ASN B 756 9.313 20.147 2.117 1.00 0.00 O ATOM 793 ND2 ASN B 756 10.659 20.051 0.382 1.00 0.00 N ATOM 0 H ASN B 756 7.599 16.277 0.333 1.00 0.00 H new ATOM 0 HA ASN B 756 8.641 17.555 2.608 1.00 0.00 H new ATOM 0 HB2 ASN B 756 9.678 17.558 0.335 1.00 0.00 H new ATOM 0 HB3 ASN B 756 8.358 18.537 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN B 756 11.143 20.895 0.688 1.00 0.00 H new ATOM 0 HD22 ASN B 756 10.950 19.577 -0.473 1.00 0.00 H new ATOM 800 N ILE B 757 5.976 18.972 1.267 1.00 0.00 N ATOM 801 CA ILE B 757 4.931 19.961 1.518 1.00 0.00 C ATOM 802 C ILE B 757 3.831 19.371 2.393 1.00 0.00 C ATOM 803 O ILE B 757 3.386 19.993 3.355 1.00 0.00 O ATOM 804 CB ILE B 757 4.332 20.439 0.182 1.00 0.00 C ATOM 805 CG1 ILE B 757 5.413 20.400 -0.904 1.00 0.00 C ATOM 806 CG2 ILE B 757 3.810 21.877 0.341 1.00 0.00 C ATOM 807 CD1 ILE B 757 5.003 21.285 -2.087 1.00 0.00 C ATOM 0 H ILE B 757 5.838 18.410 0.427 1.00 0.00 H new ATOM 0 HA ILE B 757 5.375 20.808 2.041 1.00 0.00 H new ATOM 0 HB ILE B 757 3.508 19.785 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE B 757 6.363 20.743 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE B 757 5.563 19.375 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE B 757 3.386 22.217 -0.604 1.00 0.00 H new ATOM 0 HG22 ILE B 757 3.041 21.902 1.114 1.00 0.00 H new ATOM 0 HG23 ILE B 757 4.632 22.533 0.626 1.00 0.00 H new ATOM 0 HD11 ILE B 757 5.778 21.250 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE B 757 4.064 20.922 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE B 757 4.876 22.312 -1.746 1.00 0.00 H new ATOM 819 N THR B 758 3.397 18.173 2.040 1.00 0.00 N ATOM 820 CA THR B 758 2.345 17.497 2.788 1.00 0.00 C ATOM 821 C THR B 758 2.800 17.212 4.209 1.00 0.00 C ATOM 822 O THR B 758 1.982 16.977 5.099 1.00 0.00 O ATOM 823 CB THR B 758 1.956 16.189 2.099 1.00 0.00 C ATOM 824 OG1 THR B 758 1.454 16.466 0.801 1.00 0.00 O ATOM 825 CG2 THR B 758 0.886 15.476 2.921 1.00 0.00 C ATOM 0 H THR B 758 3.754 17.647 1.242 1.00 0.00 H new ATOM 0 HA THR B 758 1.476 18.154 2.820 1.00 0.00 H new ATOM 0 HB THR B 758 2.834 15.549 2.017 1.00 0.00 H new ATOM 0 HG1 THR B 758 1.545 15.669 0.238 1.00 0.00 H new ATOM 0 HG21 THR B 758 0.610 14.544 2.428 1.00 0.00 H new ATOM 0 HG22 THR B 758 1.276 15.259 3.916 1.00 0.00 H new ATOM 0 HG23 THR B 758 0.007 16.115 3.007 1.00 0.00 H new