USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=11 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+ 158:sc= -0.0715 (180deg=-0.509) USER MOD Single : B 720 THR OG1 : rot 76:sc= 0.875 USER MOD Single : B 722 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 725 LYS NZ :NH3+ -164:sc= -0.028 (180deg=-0.308) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN : amide:sc= -0.0723 K(o=-0.072,f=-1.1!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0114) USER MOD Single : B 751 THR OG1 : rot -0:sc= 0.656 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 70:sc= 0.0605 USER MOD Single : B 755 THR OG1 : rot 68:sc= 0.59 USER MOD Single : B 756 ASN : amide:sc=-0.00257 K(o=-0.0026,f=-0.85) USER MOD Single : B 758 THR OG1 : rot 133:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -4.039 -0.407 19.224 1.00 0.00 N ATOM 13 CA PRO B 710 -3.432 -1.513 20.023 1.00 0.00 C ATOM 14 C PRO B 710 -2.808 -2.588 19.133 1.00 0.00 C ATOM 15 O PRO B 710 -3.149 -2.715 17.955 1.00 0.00 O ATOM 16 CB PRO B 710 -4.615 -2.069 20.833 1.00 0.00 C ATOM 17 CG PRO B 710 -5.830 -1.735 20.026 1.00 0.00 C ATOM 18 CD PRO B 710 -5.512 -0.430 19.289 1.00 0.00 C ATOM 0 HA PRO B 710 -2.613 -1.167 20.653 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -4.522 -3.145 20.979 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -4.663 -1.616 21.823 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -6.060 -2.534 19.321 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -6.703 -1.616 20.668 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -5.956 -0.415 18.294 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -5.902 0.436 19.824 1.00 0.00 H new ATOM 26 N GLU B 711 -1.894 -3.360 19.708 1.00 0.00 N ATOM 27 CA GLU B 711 -1.229 -4.422 18.965 1.00 0.00 C ATOM 28 C GLU B 711 -2.252 -5.415 18.428 1.00 0.00 C ATOM 29 O GLU B 711 -2.084 -5.959 17.335 1.00 0.00 O ATOM 30 CB GLU B 711 -0.236 -5.151 19.871 1.00 0.00 C ATOM 31 CG GLU B 711 0.927 -4.219 20.211 1.00 0.00 C ATOM 32 CD GLU B 711 1.880 -4.907 21.183 1.00 0.00 C ATOM 33 OE1 GLU B 711 1.397 -5.565 22.089 1.00 0.00 O ATOM 34 OE2 GLU B 711 3.079 -4.765 21.007 1.00 0.00 O ATOM 0 H GLU B 711 -1.598 -3.271 20.680 1.00 0.00 H new ATOM 0 HA GLU B 711 -0.694 -3.976 18.127 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -0.733 -5.477 20.785 1.00 0.00 H new ATOM 0 HB3 GLU B 711 0.136 -6.047 19.374 1.00 0.00 H new ATOM 0 HG2 GLU B 711 1.460 -3.942 19.301 1.00 0.00 H new ATOM 0 HG3 GLU B 711 0.548 -3.297 20.652 1.00 0.00 H new ATOM 41 N CYS B 712 -3.310 -5.649 19.197 1.00 0.00 N ATOM 42 CA CYS B 712 -4.348 -6.586 18.780 1.00 0.00 C ATOM 43 C CYS B 712 -4.981 -6.138 17.469 1.00 0.00 C ATOM 44 O CYS B 712 -5.244 -6.955 16.587 1.00 0.00 O ATOM 45 CB CYS B 712 -5.429 -6.676 19.860 1.00 0.00 C ATOM 46 SG CYS B 712 -4.747 -7.470 21.336 1.00 0.00 S ATOM 0 H CYS B 712 -3.471 -5.208 20.103 1.00 0.00 H new ATOM 0 HA CYS B 712 -3.890 -7.564 18.634 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -5.795 -5.679 20.107 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -6.281 -7.245 19.489 1.00 0.00 H new ATOM 0 HG CYS B 712 -5.666 -7.544 22.253 1.00 0.00 H new ATOM 52 N LEU B 713 -5.221 -4.840 17.346 1.00 0.00 N ATOM 53 CA LEU B 713 -5.822 -4.305 16.134 1.00 0.00 C ATOM 54 C LEU B 713 -4.917 -4.557 14.933 1.00 0.00 C ATOM 55 O LEU B 713 -5.386 -4.927 13.858 1.00 0.00 O ATOM 56 CB LEU B 713 -6.063 -2.797 16.287 1.00 0.00 C ATOM 57 CG LEU B 713 -6.653 -2.221 14.990 1.00 0.00 C ATOM 58 CD1 LEU B 713 -7.969 -2.943 14.648 1.00 0.00 C ATOM 59 CD2 LEU B 713 -6.917 -0.726 15.174 1.00 0.00 C ATOM 0 H LEU B 713 -5.011 -4.145 18.063 1.00 0.00 H new ATOM 0 HA LEU B 713 -6.775 -4.809 15.971 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -6.743 -2.612 17.118 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -5.126 -2.293 16.524 1.00 0.00 H new ATOM 0 HG LEU B 713 -5.945 -2.368 14.174 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -8.382 -2.530 13.728 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -7.776 -4.007 14.514 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -8.682 -2.804 15.460 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -7.336 -0.315 14.255 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -7.622 -0.579 15.992 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -5.981 -0.217 15.406 1.00 0.00 H new ATOM 71 N ILE B 714 -3.620 -4.344 15.121 1.00 0.00 N ATOM 72 CA ILE B 714 -2.665 -4.544 14.039 1.00 0.00 C ATOM 73 C ILE B 714 -2.653 -6.008 13.604 1.00 0.00 C ATOM 74 O ILE B 714 -2.650 -6.310 12.411 1.00 0.00 O ATOM 75 CB ILE B 714 -1.263 -4.130 14.500 1.00 0.00 C ATOM 76 CG1 ILE B 714 -1.222 -2.614 14.706 1.00 0.00 C ATOM 77 CG2 ILE B 714 -0.231 -4.528 13.441 1.00 0.00 C ATOM 78 CD1 ILE B 714 0.074 -2.229 15.424 1.00 0.00 C ATOM 0 H ILE B 714 -3.209 -4.036 16.002 1.00 0.00 H new ATOM 0 HA ILE B 714 -2.964 -3.928 13.191 1.00 0.00 H new ATOM 0 HB ILE B 714 -1.029 -4.634 15.438 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -1.282 -2.104 13.744 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -2.083 -2.293 15.292 1.00 0.00 H new ATOM 0 HG21 ILE B 714 0.764 -4.232 13.773 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -0.258 -5.608 13.294 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -0.463 -4.028 12.501 1.00 0.00 H new ATOM 0 HD11 ILE B 714 0.102 -1.149 15.570 1.00 0.00 H new ATOM 0 HD12 ILE B 714 0.115 -2.727 16.392 1.00 0.00 H new ATOM 0 HD13 ILE B 714 0.929 -2.536 14.821 1.00 0.00 H new ATOM 90 N TRP B 715 -2.644 -6.909 14.579 1.00 0.00 N ATOM 91 CA TRP B 715 -2.634 -8.336 14.284 1.00 0.00 C ATOM 92 C TRP B 715 -3.924 -8.745 13.581 1.00 0.00 C ATOM 93 O TRP B 715 -3.898 -9.471 12.588 1.00 0.00 O ATOM 94 CB TRP B 715 -2.467 -9.140 15.580 1.00 0.00 C ATOM 95 CG TRP B 715 -1.038 -9.096 16.020 1.00 0.00 C ATOM 96 CD1 TRP B 715 -0.591 -8.533 17.165 1.00 0.00 C ATOM 97 CD2 TRP B 715 0.135 -9.625 15.337 1.00 0.00 C ATOM 98 NE1 TRP B 715 0.783 -8.686 17.231 1.00 0.00 N ATOM 99 CE2 TRP B 715 1.276 -9.353 16.128 1.00 0.00 C ATOM 100 CE3 TRP B 715 0.317 -10.311 14.122 1.00 0.00 C ATOM 101 CZ2 TRP B 715 2.553 -9.746 15.725 1.00 0.00 C ATOM 102 CZ3 TRP B 715 1.601 -10.707 13.715 1.00 0.00 C ATOM 103 CH2 TRP B 715 2.716 -10.426 14.516 1.00 0.00 C ATOM 0 H TRP B 715 -2.643 -6.679 15.573 1.00 0.00 H new ATOM 0 HA TRP B 715 -1.794 -8.547 13.622 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -3.110 -8.730 16.359 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -2.777 -10.173 15.421 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -1.205 -8.044 17.907 1.00 0.00 H new ATOM 0 HE1 TRP B 715 1.360 -8.347 18.001 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -0.536 -10.534 13.499 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 3.410 -9.526 16.344 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 1.730 -11.231 12.780 1.00 0.00 H new ATOM 0 HH2 TRP B 715 3.701 -10.735 14.199 1.00 0.00 H new ATOM 114 N LYS B 716 -5.047 -8.274 14.102 1.00 0.00 N ATOM 115 CA LYS B 716 -6.341 -8.598 13.517 1.00 0.00 C ATOM 116 C LYS B 716 -6.437 -8.050 12.104 1.00 0.00 C ATOM 117 O LYS B 716 -7.003 -8.692 11.219 1.00 0.00 O ATOM 118 CB LYS B 716 -7.462 -8.007 14.381 1.00 0.00 C ATOM 119 CG LYS B 716 -7.500 -8.708 15.749 1.00 0.00 C ATOM 120 CD LYS B 716 -8.275 -10.028 15.643 1.00 0.00 C ATOM 121 CE LYS B 716 -8.386 -10.665 17.025 1.00 0.00 C ATOM 122 NZ LYS B 716 -9.261 -9.823 17.886 1.00 0.00 N ATOM 0 H LYS B 716 -5.090 -7.670 14.923 1.00 0.00 H new ATOM 0 HA LYS B 716 -6.447 -9.682 13.478 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -7.302 -6.937 14.516 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -8.421 -8.125 13.877 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -6.485 -8.900 16.096 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -7.972 -8.058 16.486 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -9.269 -9.847 15.233 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -7.767 -10.706 14.958 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -8.797 -11.671 16.942 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -7.398 -10.761 17.474 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -9.641 -10.400 18.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -8.707 -9.035 18.278 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -10.047 -9.445 17.319 1.00 0.00 H new ATOM 136 N LEU B 717 -5.886 -6.865 11.900 1.00 0.00 N ATOM 137 CA LEU B 717 -5.927 -6.245 10.587 1.00 0.00 C ATOM 138 C LEU B 717 -5.242 -7.144 9.562 1.00 0.00 C ATOM 139 O LEU B 717 -5.731 -7.313 8.446 1.00 0.00 O ATOM 140 CB LEU B 717 -5.223 -4.882 10.630 1.00 0.00 C ATOM 141 CG LEU B 717 -5.215 -4.249 9.230 1.00 0.00 C ATOM 142 CD1 LEU B 717 -6.655 -4.109 8.709 1.00 0.00 C ATOM 143 CD2 LEU B 717 -4.555 -2.870 9.301 1.00 0.00 C ATOM 0 H LEU B 717 -5.410 -6.319 12.618 1.00 0.00 H new ATOM 0 HA LEU B 717 -6.968 -6.103 10.298 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -5.732 -4.223 11.333 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -4.201 -5.003 10.989 1.00 0.00 H new ATOM 0 HG LEU B 717 -4.653 -4.888 8.549 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -6.641 -3.659 7.716 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -7.120 -5.094 8.655 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -7.227 -3.475 9.386 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -4.548 -2.419 8.309 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -5.115 -2.233 9.986 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -3.531 -2.975 9.659 1.00 0.00 H new ATOM 155 N LEU B 718 -4.106 -7.711 9.946 1.00 0.00 N ATOM 156 CA LEU B 718 -3.361 -8.585 9.050 1.00 0.00 C ATOM 157 C LEU B 718 -4.177 -9.829 8.718 1.00 0.00 C ATOM 158 O LEU B 718 -4.200 -10.276 7.572 1.00 0.00 O ATOM 159 CB LEU B 718 -2.040 -8.993 9.701 1.00 0.00 C ATOM 160 CG LEU B 718 -1.118 -7.770 9.806 1.00 0.00 C ATOM 161 CD1 LEU B 718 0.074 -8.107 10.707 1.00 0.00 C ATOM 162 CD2 LEU B 718 -0.610 -7.356 8.408 1.00 0.00 C ATOM 0 H LEU B 718 -3.683 -7.583 10.865 1.00 0.00 H new ATOM 0 HA LEU B 718 -3.156 -8.043 8.127 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -2.224 -9.408 10.692 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -1.559 -9.774 9.112 1.00 0.00 H new ATOM 0 HG LEU B 718 -1.680 -6.940 10.234 1.00 0.00 H new ATOM 0 HD11 LEU B 718 0.730 -7.240 10.783 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -0.285 -8.378 11.700 1.00 0.00 H new ATOM 0 HD13 LEU B 718 0.627 -8.944 10.281 1.00 0.00 H new ATOM 0 HD21 LEU B 718 0.042 -6.488 8.500 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -0.054 -8.182 7.964 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -1.459 -7.106 7.772 1.00 0.00 H new ATOM 174 N ILE B 719 -4.834 -10.386 9.728 1.00 0.00 N ATOM 175 CA ILE B 719 -5.637 -11.581 9.533 1.00 0.00 C ATOM 176 C ILE B 719 -6.785 -11.297 8.567 1.00 0.00 C ATOM 177 O ILE B 719 -7.073 -12.099 7.678 1.00 0.00 O ATOM 178 CB ILE B 719 -6.208 -12.046 10.877 1.00 0.00 C ATOM 179 CG1 ILE B 719 -5.057 -12.476 11.789 1.00 0.00 C ATOM 180 CG2 ILE B 719 -7.149 -13.236 10.643 1.00 0.00 C ATOM 181 CD1 ILE B 719 -5.594 -12.805 13.185 1.00 0.00 C ATOM 0 H ILE B 719 -4.825 -10.030 10.684 1.00 0.00 H new ATOM 0 HA ILE B 719 -5.003 -12.362 9.113 1.00 0.00 H new ATOM 0 HB ILE B 719 -6.761 -11.232 11.346 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -4.554 -13.347 11.369 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -4.315 -11.680 11.853 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -7.557 -13.570 11.597 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -7.964 -12.932 9.986 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -6.595 -14.052 10.180 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -4.770 -13.110 13.829 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -6.076 -11.923 13.606 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -6.319 -13.616 13.114 1.00 0.00 H new ATOM 193 N THR B 720 -7.440 -10.156 8.752 1.00 0.00 N ATOM 194 CA THR B 720 -8.558 -9.780 7.894 1.00 0.00 C ATOM 195 C THR B 720 -8.101 -9.657 6.444 1.00 0.00 C ATOM 196 O THR B 720 -8.768 -10.142 5.531 1.00 0.00 O ATOM 197 CB THR B 720 -9.150 -8.447 8.359 1.00 0.00 C ATOM 198 OG1 THR B 720 -9.381 -8.496 9.759 1.00 0.00 O ATOM 199 CG2 THR B 720 -10.471 -8.191 7.631 1.00 0.00 C ATOM 0 H THR B 720 -7.218 -9.480 9.483 1.00 0.00 H new ATOM 0 HA THR B 720 -9.319 -10.557 7.960 1.00 0.00 H new ATOM 0 HB THR B 720 -8.452 -7.641 8.134 1.00 0.00 H new ATOM 0 HG1 THR B 720 -8.529 -8.405 10.235 1.00 0.00 H new ATOM 0 HG21 THR B 720 -10.891 -7.242 7.963 1.00 0.00 H new ATOM 0 HG22 THR B 720 -10.293 -8.153 6.556 1.00 0.00 H new ATOM 0 HG23 THR B 720 -11.171 -8.996 7.854 1.00 0.00 H new ATOM 207 N ILE B 721 -6.964 -9.003 6.241 1.00 0.00 N ATOM 208 CA ILE B 721 -6.430 -8.820 4.896 1.00 0.00 C ATOM 209 C ILE B 721 -6.082 -10.168 4.268 1.00 0.00 C ATOM 210 O ILE B 721 -6.382 -10.417 3.101 1.00 0.00 O ATOM 211 CB ILE B 721 -5.177 -7.940 4.949 1.00 0.00 C ATOM 212 CG1 ILE B 721 -5.573 -6.520 5.365 1.00 0.00 C ATOM 213 CG2 ILE B 721 -4.517 -7.899 3.566 1.00 0.00 C ATOM 214 CD1 ILE B 721 -4.317 -5.730 5.734 1.00 0.00 C ATOM 0 H ILE B 721 -6.397 -8.593 6.984 1.00 0.00 H new ATOM 0 HA ILE B 721 -7.191 -8.334 4.285 1.00 0.00 H new ATOM 0 HB ILE B 721 -4.474 -8.353 5.673 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -6.101 -6.025 4.550 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -6.256 -6.555 6.213 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -3.626 -7.272 3.606 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -4.237 -8.909 3.266 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -5.218 -7.486 2.840 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -4.597 -4.719 6.030 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -3.807 -6.223 6.562 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -3.650 -5.684 4.873 1.00 0.00 H new ATOM 226 N HIS B 722 -5.445 -11.031 5.051 1.00 0.00 N ATOM 227 CA HIS B 722 -5.055 -12.348 4.564 1.00 0.00 C ATOM 228 C HIS B 722 -6.286 -13.160 4.175 1.00 0.00 C ATOM 229 O HIS B 722 -6.241 -13.969 3.247 1.00 0.00 O ATOM 230 CB HIS B 722 -4.265 -13.095 5.639 1.00 0.00 C ATOM 231 CG HIS B 722 -3.677 -14.348 5.051 1.00 0.00 C ATOM 232 ND1 HIS B 722 -4.335 -15.566 5.094 1.00 0.00 N ATOM 233 CD2 HIS B 722 -2.490 -14.586 4.401 1.00 0.00 C ATOM 234 CE1 HIS B 722 -3.550 -16.474 4.488 1.00 0.00 C ATOM 235 NE2 HIS B 722 -2.413 -15.930 4.047 1.00 0.00 N ATOM 0 H HIS B 722 -5.189 -10.844 6.020 1.00 0.00 H new ATOM 0 HA HIS B 722 -4.427 -12.216 3.683 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -3.472 -12.458 6.031 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -4.917 -13.345 6.476 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -1.733 -13.844 4.196 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -3.808 -17.516 4.372 1.00 0.00 H new ATOM 0 HE2 HIS B 722 -1.652 -16.399 3.556 1.00 0.00 H new ATOM 244 N ASP B 723 -7.381 -12.943 4.895 1.00 0.00 N ATOM 245 CA ASP B 723 -8.617 -13.665 4.620 1.00 0.00 C ATOM 246 C ASP B 723 -9.228 -13.204 3.303 1.00 0.00 C ATOM 247 O ASP B 723 -10.052 -13.902 2.713 1.00 0.00 O ATOM 248 CB ASP B 723 -9.619 -13.431 5.752 1.00 0.00 C ATOM 249 CG ASP B 723 -9.164 -14.156 7.012 1.00 0.00 C ATOM 250 OD1 ASP B 723 -8.323 -15.034 6.896 1.00 0.00 O ATOM 251 OD2 ASP B 723 -9.657 -13.821 8.077 1.00 0.00 O ATOM 0 H ASP B 723 -7.438 -12.279 5.667 1.00 0.00 H new ATOM 0 HA ASP B 723 -8.384 -14.727 4.548 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -9.712 -12.363 5.951 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -10.605 -13.787 5.454 1.00 0.00 H new ATOM 256 N ARG B 724 -8.815 -12.027 2.841 1.00 0.00 N ATOM 257 CA ARG B 724 -9.326 -11.486 1.583 1.00 0.00 C ATOM 258 C ARG B 724 -8.452 -11.932 0.416 1.00 0.00 C ATOM 259 O ARG B 724 -7.234 -11.748 0.431 1.00 0.00 O ATOM 260 CB ARG B 724 -9.353 -9.958 1.647 1.00 0.00 C ATOM 261 CG ARG B 724 -10.425 -9.508 2.642 1.00 0.00 C ATOM 262 CD ARG B 724 -10.439 -7.980 2.720 1.00 0.00 C ATOM 263 NE ARG B 724 -11.475 -7.533 3.644 1.00 0.00 N ATOM 264 CZ ARG B 724 -11.640 -6.242 3.918 1.00 0.00 C ATOM 265 NH1 ARG B 724 -10.869 -5.353 3.357 1.00 0.00 N ATOM 266 NH2 ARG B 724 -12.575 -5.867 4.747 1.00 0.00 N ATOM 0 H ARG B 724 -8.134 -11.433 3.313 1.00 0.00 H new ATOM 0 HA ARG B 724 -10.338 -11.862 1.430 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -8.377 -9.579 1.951 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -9.562 -9.546 0.660 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -11.403 -9.876 2.331 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -10.224 -9.931 3.626 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -9.466 -7.616 3.050 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -10.618 -7.560 1.730 1.00 0.00 H new ATOM 0 HE ARG B 724 -12.083 -8.222 4.087 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -10.139 -5.648 2.708 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -10.995 -4.363 3.567 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -13.178 -6.564 5.184 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -12.703 -4.877 4.958 1.00 0.00 H new ATOM 280 N LYS B 725 -9.083 -12.519 -0.595 1.00 0.00 N ATOM 281 CA LYS B 725 -8.357 -12.990 -1.769 1.00 0.00 C ATOM 282 C LYS B 725 -7.997 -11.822 -2.680 1.00 0.00 C ATOM 283 O LYS B 725 -7.087 -11.920 -3.502 1.00 0.00 O ATOM 284 CB LYS B 725 -9.207 -14.002 -2.542 1.00 0.00 C ATOM 285 CG LYS B 725 -9.391 -15.265 -1.698 1.00 0.00 C ATOM 286 CD LYS B 725 -10.234 -16.279 -2.473 1.00 0.00 C ATOM 287 CE LYS B 725 -10.487 -17.509 -1.598 1.00 0.00 C ATOM 288 NZ LYS B 725 -9.198 -18.216 -1.352 1.00 0.00 N ATOM 0 H LYS B 725 -10.090 -12.679 -0.626 1.00 0.00 H new ATOM 0 HA LYS B 725 -7.438 -13.472 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -10.178 -13.569 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -8.725 -14.251 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -8.420 -15.696 -1.452 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -9.878 -15.017 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -11.182 -15.829 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -9.720 -16.571 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -10.936 -17.209 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -11.194 -18.178 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -9.390 -19.176 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -8.659 -18.274 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -8.644 -17.692 -0.645 1.00 0.00 H new ATOM 302 N GLU B 726 -8.720 -10.718 -2.531 1.00 0.00 N ATOM 303 CA GLU B 726 -8.470 -9.539 -3.350 1.00 0.00 C ATOM 304 C GLU B 726 -7.069 -8.998 -3.086 1.00 0.00 C ATOM 305 O GLU B 726 -6.404 -8.501 -3.995 1.00 0.00 O ATOM 306 CB GLU B 726 -9.509 -8.457 -3.041 1.00 0.00 C ATOM 307 CG GLU B 726 -9.387 -7.318 -4.057 1.00 0.00 C ATOM 308 CD GLU B 726 -9.873 -7.788 -5.424 1.00 0.00 C ATOM 309 OE1 GLU B 726 -10.396 -8.887 -5.501 1.00 0.00 O ATOM 310 OE2 GLU B 726 -9.717 -7.040 -6.376 1.00 0.00 O ATOM 0 H GLU B 726 -9.478 -10.615 -1.856 1.00 0.00 H new ATOM 0 HA GLU B 726 -8.547 -9.822 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -10.512 -8.882 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -9.360 -8.074 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -9.974 -6.461 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -8.350 -6.988 -4.124 1.00 0.00 H new ATOM 317 N PHE B 727 -6.626 -9.096 -1.837 1.00 0.00 N ATOM 318 CA PHE B 727 -5.300 -8.611 -1.470 1.00 0.00 C ATOM 319 C PHE B 727 -4.223 -9.353 -2.257 1.00 0.00 C ATOM 320 O PHE B 727 -3.312 -8.739 -2.812 1.00 0.00 O ATOM 321 CB PHE B 727 -5.074 -8.810 0.027 1.00 0.00 C ATOM 322 CG PHE B 727 -3.689 -8.331 0.398 1.00 0.00 C ATOM 323 CD1 PHE B 727 -3.364 -6.974 0.271 1.00 0.00 C ATOM 324 CD2 PHE B 727 -2.728 -9.239 0.864 1.00 0.00 C ATOM 325 CE1 PHE B 727 -2.080 -6.526 0.610 1.00 0.00 C ATOM 326 CE2 PHE B 727 -1.447 -8.790 1.203 1.00 0.00 C ATOM 327 CZ PHE B 727 -1.123 -7.434 1.077 1.00 0.00 C ATOM 0 H PHE B 727 -7.159 -9.503 -1.068 1.00 0.00 H new ATOM 0 HA PHE B 727 -5.238 -7.549 -1.709 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -5.824 -8.260 0.595 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -5.187 -9.863 0.286 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -4.103 -6.273 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -2.977 -10.285 0.961 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -1.829 -5.480 0.511 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -0.707 -9.490 1.562 1.00 0.00 H new ATOM 0 HZ PHE B 727 -0.134 -7.088 1.340 1.00 0.00 H new ATOM 337 N ALA B 728 -4.339 -10.678 -2.305 1.00 0.00 N ATOM 338 CA ALA B 728 -3.377 -11.494 -3.031 1.00 0.00 C ATOM 339 C ALA B 728 -3.461 -11.215 -4.531 1.00 0.00 C ATOM 340 O ALA B 728 -2.445 -11.216 -5.222 1.00 0.00 O ATOM 341 CB ALA B 728 -3.641 -12.977 -2.763 1.00 0.00 C ATOM 0 H ALA B 728 -5.086 -11.204 -1.852 1.00 0.00 H new ATOM 0 HA ALA B 728 -2.376 -11.239 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -2.917 -13.580 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -3.547 -13.176 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -4.648 -13.233 -3.092 1.00 0.00 H new ATOM 347 N LYS B 729 -4.679 -10.983 -5.033 1.00 0.00 N ATOM 348 CA LYS B 729 -4.877 -10.715 -6.439 1.00 0.00 C ATOM 349 C LYS B 729 -4.102 -9.470 -6.857 1.00 0.00 C ATOM 350 O LYS B 729 -3.458 -9.454 -7.906 1.00 0.00 O ATOM 351 CB LYS B 729 -6.371 -10.519 -6.709 1.00 0.00 C ATOM 352 CG LYS B 729 -6.586 -10.364 -8.202 1.00 0.00 C ATOM 353 CD LYS B 729 -8.083 -10.239 -8.504 1.00 0.00 C ATOM 354 CE LYS B 729 -8.301 -10.099 -10.015 1.00 0.00 C ATOM 355 NZ LYS B 729 -9.762 -9.996 -10.298 1.00 0.00 N ATOM 0 H LYS B 729 -5.534 -10.978 -4.477 1.00 0.00 H new ATOM 0 HA LYS B 729 -4.509 -11.560 -7.021 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -6.937 -11.372 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -6.736 -9.637 -6.182 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -6.058 -9.482 -8.564 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -6.170 -11.223 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -8.612 -11.116 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -8.496 -9.373 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -7.784 -9.215 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -7.878 -10.958 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -9.911 -9.901 -11.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -10.243 -10.852 -9.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -10.152 -9.163 -9.813 1.00 0.00 H new ATOM 369 N PHE B 730 -4.165 -8.428 -6.031 1.00 0.00 N ATOM 370 CA PHE B 730 -3.463 -7.188 -6.325 1.00 0.00 C ATOM 371 C PHE B 730 -1.962 -7.438 -6.407 1.00 0.00 C ATOM 372 O PHE B 730 -1.289 -6.935 -7.306 1.00 0.00 O ATOM 373 CB PHE B 730 -3.758 -6.152 -5.240 1.00 0.00 C ATOM 374 CG PHE B 730 -2.998 -4.885 -5.541 1.00 0.00 C ATOM 375 CD1 PHE B 730 -3.455 -4.013 -6.536 1.00 0.00 C ATOM 376 CD2 PHE B 730 -1.834 -4.580 -4.825 1.00 0.00 C ATOM 377 CE1 PHE B 730 -2.748 -2.838 -6.814 1.00 0.00 C ATOM 378 CE2 PHE B 730 -1.128 -3.405 -5.104 1.00 0.00 C ATOM 379 CZ PHE B 730 -1.585 -2.532 -6.098 1.00 0.00 C ATOM 0 H PHE B 730 -4.693 -8.420 -5.158 1.00 0.00 H new ATOM 0 HA PHE B 730 -3.810 -6.809 -7.286 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -4.828 -5.947 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -3.469 -6.539 -4.263 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -4.353 -4.247 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -1.481 -5.252 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -3.100 -2.166 -7.582 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -0.230 -3.171 -4.552 1.00 0.00 H new ATOM 0 HZ PHE B 730 -1.041 -1.624 -6.312 1.00 0.00 H new ATOM 389 N GLU B 731 -1.444 -8.217 -5.462 1.00 0.00 N ATOM 390 CA GLU B 731 -0.020 -8.525 -5.439 1.00 0.00 C ATOM 391 C GLU B 731 0.405 -9.214 -6.732 1.00 0.00 C ATOM 392 O GLU B 731 1.414 -8.847 -7.336 1.00 0.00 O ATOM 393 CB GLU B 731 0.299 -9.433 -4.248 1.00 0.00 C ATOM 394 CG GLU B 731 0.190 -8.635 -2.949 1.00 0.00 C ATOM 395 CD GLU B 731 0.477 -9.541 -1.756 1.00 0.00 C ATOM 396 OE1 GLU B 731 0.730 -10.714 -1.975 1.00 0.00 O ATOM 397 OE2 GLU B 731 0.445 -9.047 -0.641 1.00 0.00 O ATOM 0 H GLU B 731 -1.984 -8.643 -4.709 1.00 0.00 H new ATOM 0 HA GLU B 731 0.531 -7.589 -5.343 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -0.390 -10.277 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU B 731 1.303 -9.844 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU B 731 0.895 -7.804 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -0.808 -8.206 -2.859 1.00 0.00 H new ATOM 404 N GLU B 732 -0.369 -10.209 -7.153 1.00 0.00 N ATOM 405 CA GLU B 732 -0.058 -10.937 -8.373 1.00 0.00 C ATOM 406 C GLU B 732 -0.086 -10.000 -9.577 1.00 0.00 C ATOM 407 O GLU B 732 0.776 -10.074 -10.452 1.00 0.00 O ATOM 408 CB GLU B 732 -1.077 -12.060 -8.580 1.00 0.00 C ATOM 409 CG GLU B 732 -0.924 -13.095 -7.466 1.00 0.00 C ATOM 410 CD GLU B 732 -1.948 -14.212 -7.647 1.00 0.00 C ATOM 411 OE1 GLU B 732 -2.725 -14.131 -8.584 1.00 0.00 O ATOM 412 OE2 GLU B 732 -1.943 -15.131 -6.844 1.00 0.00 O ATOM 0 H GLU B 732 -1.210 -10.526 -6.670 1.00 0.00 H new ATOM 0 HA GLU B 732 0.942 -11.361 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU B 732 -2.088 -11.653 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU B 732 -0.925 -12.530 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU B 732 0.084 -13.509 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU B 732 -1.061 -12.619 -6.495 1.00 0.00 H new ATOM 419 N GLU B 733 -1.081 -9.121 -9.616 1.00 0.00 N ATOM 420 CA GLU B 733 -1.210 -8.175 -10.718 1.00 0.00 C ATOM 421 C GLU B 733 -0.063 -7.168 -10.692 1.00 0.00 C ATOM 422 O GLU B 733 0.431 -6.749 -11.739 1.00 0.00 O ATOM 423 CB GLU B 733 -2.547 -7.436 -10.623 1.00 0.00 C ATOM 424 CG GLU B 733 -2.769 -6.606 -11.890 1.00 0.00 C ATOM 425 CD GLU B 733 -3.031 -7.529 -13.076 1.00 0.00 C ATOM 426 OE1 GLU B 733 -3.206 -8.715 -12.851 1.00 0.00 O ATOM 427 OE2 GLU B 733 -3.047 -7.037 -14.192 1.00 0.00 O ATOM 0 H GLU B 733 -1.806 -9.044 -8.902 1.00 0.00 H new ATOM 0 HA GLU B 733 -1.172 -8.729 -11.656 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -3.360 -8.151 -10.498 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -2.554 -6.788 -9.746 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -3.613 -5.931 -11.750 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -1.894 -5.986 -12.087 1.00 0.00 H new ATOM 434 N ARG B 734 0.350 -6.779 -9.491 1.00 0.00 N ATOM 435 CA ARG B 734 1.434 -5.814 -9.346 1.00 0.00 C ATOM 436 C ARG B 734 2.715 -6.352 -9.970 1.00 0.00 C ATOM 437 O ARG B 734 3.424 -5.633 -10.675 1.00 0.00 O ATOM 438 CB ARG B 734 1.670 -5.518 -7.864 1.00 0.00 C ATOM 439 CG ARG B 734 2.741 -4.433 -7.720 1.00 0.00 C ATOM 440 CD ARG B 734 2.926 -4.090 -6.242 1.00 0.00 C ATOM 441 NE ARG B 734 3.846 -2.966 -6.099 1.00 0.00 N ATOM 442 CZ ARG B 734 5.161 -3.153 -6.063 1.00 0.00 C ATOM 443 NH1 ARG B 734 5.651 -4.359 -6.159 1.00 0.00 N ATOM 444 NH2 ARG B 734 5.963 -2.131 -5.935 1.00 0.00 N ATOM 0 H ARG B 734 -0.045 -7.113 -8.612 1.00 0.00 H new ATOM 0 HA ARG B 734 1.152 -4.895 -9.860 1.00 0.00 H new ATOM 0 HB2 ARG B 734 0.742 -5.191 -7.396 1.00 0.00 H new ATOM 0 HB3 ARG B 734 1.985 -6.425 -7.348 1.00 0.00 H new ATOM 0 HG2 ARG B 734 3.683 -4.779 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG B 734 2.449 -3.543 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG B 734 1.963 -3.841 -5.795 1.00 0.00 H new ATOM 0 HD3 ARG B 734 3.312 -4.957 -5.705 1.00 0.00 H new ATOM 0 HE ARG B 734 3.473 -2.020 -6.025 1.00 0.00 H new ATOM 0 HH11 ARG B 734 5.025 -5.157 -6.262 1.00 0.00 H new ATOM 0 HH12 ARG B 734 6.660 -4.503 -6.131 1.00 0.00 H new ATOM 0 HH21 ARG B 734 5.580 -1.188 -5.863 1.00 0.00 H new ATOM 0 HH22 ARG B 734 6.972 -2.275 -5.907 1.00 0.00 H new ATOM 458 N ALA B 735 3.005 -7.621 -9.708 1.00 0.00 N ATOM 459 CA ALA B 735 4.205 -8.247 -10.252 1.00 0.00 C ATOM 460 C ALA B 735 4.144 -8.293 -11.776 1.00 0.00 C ATOM 461 O ALA B 735 5.140 -8.041 -12.454 1.00 0.00 O ATOM 462 CB ALA B 735 4.350 -9.667 -9.704 1.00 0.00 C ATOM 0 H ALA B 735 2.431 -8.233 -9.127 1.00 0.00 H new ATOM 0 HA ALA B 735 5.067 -7.652 -9.952 1.00 0.00 H new ATOM 0 HB1 ALA B 735 5.249 -10.126 -10.116 1.00 0.00 H new ATOM 0 HB2 ALA B 735 4.426 -9.632 -8.617 1.00 0.00 H new ATOM 0 HB3 ALA B 735 3.479 -10.257 -9.988 1.00 0.00 H new ATOM 468 N ARG B 736 2.968 -8.614 -12.311 1.00 0.00 N ATOM 469 CA ARG B 736 2.791 -8.688 -13.751 1.00 0.00 C ATOM 470 C ARG B 736 2.954 -7.312 -14.386 1.00 0.00 C ATOM 471 O ARG B 736 3.510 -7.182 -15.476 1.00 0.00 O ATOM 472 CB ARG B 736 1.402 -9.239 -14.071 1.00 0.00 C ATOM 473 CG ARG B 736 1.342 -10.724 -13.709 1.00 0.00 C ATOM 474 CD ARG B 736 -0.051 -11.273 -14.028 1.00 0.00 C ATOM 475 NE ARG B 736 -0.122 -12.692 -13.695 1.00 0.00 N ATOM 476 CZ ARG B 736 -1.270 -13.358 -13.767 1.00 0.00 C ATOM 477 NH1 ARG B 736 -2.359 -12.744 -14.140 1.00 0.00 N ATOM 478 NH2 ARG B 736 -1.308 -14.627 -13.464 1.00 0.00 N ATOM 0 H ARG B 736 2.130 -8.825 -11.769 1.00 0.00 H new ATOM 0 HA ARG B 736 3.552 -9.352 -14.160 1.00 0.00 H new ATOM 0 HB2 ARG B 736 0.644 -8.688 -13.514 1.00 0.00 H new ATOM 0 HB3 ARG B 736 1.181 -9.103 -15.130 1.00 0.00 H new ATOM 0 HG2 ARG B 736 2.098 -11.276 -14.267 1.00 0.00 H new ATOM 0 HG3 ARG B 736 1.564 -10.860 -12.651 1.00 0.00 H new ATOM 0 HD2 ARG B 736 -0.805 -10.722 -13.465 1.00 0.00 H new ATOM 0 HD3 ARG B 736 -0.273 -11.129 -15.085 1.00 0.00 H new ATOM 0 HE ARG B 736 0.724 -13.181 -13.402 1.00 0.00 H new ATOM 0 HH11 ARG B 736 -2.330 -11.752 -14.377 1.00 0.00 H new ATOM 0 HH12 ARG B 736 -3.240 -13.256 -14.195 1.00 0.00 H new ATOM 0 HH21 ARG B 736 -0.457 -15.107 -13.172 1.00 0.00 H new ATOM 0 HH22 ARG B 736 -2.189 -15.138 -13.519 1.00 0.00 H new ATOM 598 N ASN B 744 7.651 1.182 -9.748 1.00 0.00 N ATOM 599 CA ASN B 744 8.963 1.617 -9.302 1.00 0.00 C ATOM 600 C ASN B 744 8.876 2.261 -7.918 1.00 0.00 C ATOM 601 O ASN B 744 7.888 2.918 -7.593 1.00 0.00 O ATOM 602 CB ASN B 744 9.560 2.624 -10.287 1.00 0.00 C ATOM 603 CG ASN B 744 9.830 1.943 -11.620 1.00 0.00 C ATOM 604 OD1 ASN B 744 9.546 0.756 -11.779 1.00 0.00 O ATOM 605 ND2 ASN B 744 10.363 2.626 -12.594 1.00 0.00 N ATOM 0 HA ASN B 744 9.605 0.738 -9.250 1.00 0.00 H new ATOM 0 HB2 ASN B 744 8.874 3.460 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN B 744 10.486 3.035 -9.884 1.00 0.00 H new ATOM 0 HD21 ASN B 744 10.546 2.177 -13.491 1.00 0.00 H new ATOM 0 HD22 ASN B 744 10.597 3.610 -12.459 1.00 0.00 H new ATOM 612 N PRO B 745 9.882 2.083 -7.101 1.00 0.00 N ATOM 613 CA PRO B 745 9.913 2.661 -5.726 1.00 0.00 C ATOM 614 C PRO B 745 10.021 4.179 -5.737 1.00 0.00 C ATOM 615 O PRO B 745 9.728 4.841 -4.748 1.00 0.00 O ATOM 616 CB PRO B 745 11.149 2.010 -5.087 1.00 0.00 C ATOM 617 CG PRO B 745 12.035 1.642 -6.233 1.00 0.00 C ATOM 618 CD PRO B 745 11.102 1.315 -7.395 1.00 0.00 C ATOM 0 HA PRO B 745 8.994 2.461 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO B 745 11.650 2.699 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO B 745 10.874 1.131 -4.504 1.00 0.00 H new ATOM 0 HG2 PRO B 745 12.704 2.464 -6.489 1.00 0.00 H new ATOM 0 HG3 PRO B 745 12.662 0.786 -5.983 1.00 0.00 H new ATOM 0 HD2 PRO B 745 11.537 1.608 -8.350 1.00 0.00 H new ATOM 0 HD3 PRO B 745 10.896 0.246 -7.453 1.00 0.00 H new ATOM 626 N LEU B 746 10.450 4.717 -6.857 1.00 0.00 N ATOM 627 CA LEU B 746 10.591 6.158 -6.995 1.00 0.00 C ATOM 628 C LEU B 746 9.245 6.802 -7.294 1.00 0.00 C ATOM 629 O LEU B 746 9.033 7.981 -7.011 1.00 0.00 O ATOM 630 CB LEU B 746 11.577 6.480 -8.114 1.00 0.00 C ATOM 631 CG LEU B 746 12.991 6.051 -7.700 1.00 0.00 C ATOM 632 CD1 LEU B 746 13.935 6.175 -8.901 1.00 0.00 C ATOM 633 CD2 LEU B 746 13.507 6.936 -6.542 1.00 0.00 C ATOM 0 H LEU B 746 10.708 4.183 -7.687 1.00 0.00 H new ATOM 0 HA LEU B 746 10.969 6.560 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU B 746 11.284 5.965 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU B 746 11.560 7.548 -8.330 1.00 0.00 H new ATOM 0 HG LEU B 746 12.960 5.015 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU B 746 14.939 5.870 -8.607 1.00 0.00 H new ATOM 0 HD12 LEU B 746 13.583 5.533 -9.708 1.00 0.00 H new ATOM 0 HD13 LEU B 746 13.955 7.210 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU B 746 14.511 6.618 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU B 746 13.533 7.977 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU B 746 12.842 6.837 -5.684 1.00 0.00 H new ATOM 645 N TYR B 747 8.347 6.025 -7.884 1.00 0.00 N ATOM 646 CA TYR B 747 7.024 6.540 -8.230 1.00 0.00 C ATOM 647 C TYR B 747 6.236 6.905 -6.978 1.00 0.00 C ATOM 648 O TYR B 747 5.656 7.988 -6.889 1.00 0.00 O ATOM 649 CB TYR B 747 6.255 5.487 -9.025 1.00 0.00 C ATOM 650 CG TYR B 747 4.863 5.993 -9.325 1.00 0.00 C ATOM 651 CD1 TYR B 747 4.663 6.912 -10.364 1.00 0.00 C ATOM 652 CD2 TYR B 747 3.775 5.549 -8.565 1.00 0.00 C ATOM 653 CE1 TYR B 747 3.374 7.384 -10.641 1.00 0.00 C ATOM 654 CE2 TYR B 747 2.488 6.022 -8.842 1.00 0.00 C ATOM 655 CZ TYR B 747 2.286 6.939 -9.880 1.00 0.00 C ATOM 656 OH TYR B 747 1.017 7.406 -10.152 1.00 0.00 O ATOM 0 H TYR B 747 8.504 5.048 -8.132 1.00 0.00 H new ATOM 0 HA TYR B 747 7.153 7.439 -8.833 1.00 0.00 H new ATOM 0 HB2 TYR B 747 6.780 5.264 -9.954 1.00 0.00 H new ATOM 0 HB3 TYR B 747 6.200 4.557 -8.458 1.00 0.00 H new ATOM 0 HD1 TYR B 747 5.502 7.256 -10.950 1.00 0.00 H new ATOM 0 HD2 TYR B 747 3.929 4.841 -7.764 1.00 0.00 H new ATOM 0 HE1 TYR B 747 3.219 8.092 -11.442 1.00 0.00 H new ATOM 0 HE2 TYR B 747 1.649 5.679 -8.254 1.00 0.00 H new ATOM 0 HH TYR B 747 0.378 6.996 -9.532 1.00 0.00 H new ATOM 666 N LYS B 748 6.225 5.993 -6.016 1.00 0.00 N ATOM 667 CA LYS B 748 5.505 6.224 -4.764 1.00 0.00 C ATOM 668 C LYS B 748 6.155 7.353 -3.974 1.00 0.00 C ATOM 669 O LYS B 748 5.473 8.141 -3.318 1.00 0.00 O ATOM 670 CB LYS B 748 5.466 4.945 -3.926 1.00 0.00 C ATOM 671 CG LYS B 748 6.872 4.606 -3.465 1.00 0.00 C ATOM 672 CD LYS B 748 6.866 3.276 -2.711 1.00 0.00 C ATOM 673 CE LYS B 748 8.286 2.945 -2.238 1.00 0.00 C ATOM 674 NZ LYS B 748 8.603 3.744 -1.021 1.00 0.00 N ATOM 0 H LYS B 748 6.701 5.093 -6.074 1.00 0.00 H new ATOM 0 HA LYS B 748 4.482 6.514 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS B 748 4.811 5.080 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS B 748 5.055 4.124 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS B 748 7.541 4.544 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS B 748 7.254 5.398 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS B 748 6.192 3.334 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS B 748 6.493 2.482 -3.358 1.00 0.00 H new ATOM 0 HE2 LYS B 748 8.369 1.880 -2.019 1.00 0.00 H new ATOM 0 HE3 LYS B 748 9.004 3.165 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 9.581 4.092 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 7.951 4.552 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 8.498 3.147 -0.176 1.00 0.00 H new ATOM 688 N GLU B 749 7.478 7.421 -4.042 1.00 0.00 N ATOM 689 CA GLU B 749 8.219 8.453 -3.331 1.00 0.00 C ATOM 690 C GLU B 749 7.889 9.832 -3.885 1.00 0.00 C ATOM 691 O GLU B 749 7.795 10.807 -3.138 1.00 0.00 O ATOM 692 CB GLU B 749 9.724 8.196 -3.448 1.00 0.00 C ATOM 693 CG GLU B 749 10.108 6.988 -2.590 1.00 0.00 C ATOM 694 CD GLU B 749 11.573 6.630 -2.821 1.00 0.00 C ATOM 695 OE1 GLU B 749 12.213 7.315 -3.602 1.00 0.00 O ATOM 696 OE2 GLU B 749 12.033 5.677 -2.213 1.00 0.00 O ATOM 0 H GLU B 749 8.058 6.777 -4.580 1.00 0.00 H new ATOM 0 HA GLU B 749 7.928 8.420 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU B 749 9.992 8.015 -4.489 1.00 0.00 H new ATOM 0 HB3 GLU B 749 10.280 9.076 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU B 749 9.941 7.212 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU B 749 9.473 6.138 -2.839 1.00 0.00 H new ATOM 703 N ALA B 750 7.716 9.904 -5.196 1.00 0.00 N ATOM 704 CA ALA B 750 7.395 11.171 -5.843 1.00 0.00 C ATOM 705 C ALA B 750 6.048 11.698 -5.359 1.00 0.00 C ATOM 706 O ALA B 750 5.894 12.892 -5.105 1.00 0.00 O ATOM 707 CB ALA B 750 7.357 10.988 -7.363 1.00 0.00 C ATOM 0 H ALA B 750 7.791 9.108 -5.830 1.00 0.00 H new ATOM 0 HA ALA B 750 8.168 11.894 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA B 750 7.117 11.939 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA B 750 8.330 10.644 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA B 750 6.597 10.251 -7.622 1.00 0.00 H new ATOM 713 N THR B 751 5.072 10.800 -5.231 1.00 0.00 N ATOM 714 CA THR B 751 3.748 11.185 -4.777 1.00 0.00 C ATOM 715 C THR B 751 3.788 11.628 -3.318 1.00 0.00 C ATOM 716 O THR B 751 3.072 12.545 -2.918 1.00 0.00 O ATOM 717 CB THR B 751 2.787 10.009 -4.936 1.00 0.00 C ATOM 718 OG1 THR B 751 3.341 8.855 -4.320 1.00 0.00 O ATOM 719 CG2 THR B 751 2.549 9.734 -6.423 1.00 0.00 C ATOM 0 H THR B 751 5.178 9.806 -5.436 1.00 0.00 H new ATOM 0 HA THR B 751 3.401 12.022 -5.383 1.00 0.00 H new ATOM 0 HB THR B 751 1.838 10.253 -4.459 1.00 0.00 H new ATOM 0 HG1 THR B 751 4.216 9.076 -3.937 1.00 0.00 H new ATOM 0 HG21 THR B 751 1.863 8.894 -6.532 1.00 0.00 H new ATOM 0 HG22 THR B 751 2.118 10.618 -6.892 1.00 0.00 H new ATOM 0 HG23 THR B 751 3.497 9.493 -6.905 1.00 0.00 H new ATOM 727 N SER B 752 4.632 10.971 -2.531 1.00 0.00 N ATOM 728 CA SER B 752 4.759 11.304 -1.118 1.00 0.00 C ATOM 729 C SER B 752 5.221 12.746 -0.950 1.00 0.00 C ATOM 730 O SER B 752 4.734 13.468 -0.079 1.00 0.00 O ATOM 731 CB SER B 752 5.758 10.360 -0.445 1.00 0.00 C ATOM 732 OG SER B 752 6.135 10.898 0.816 1.00 0.00 O ATOM 0 H SER B 752 5.234 10.210 -2.845 1.00 0.00 H new ATOM 0 HA SER B 752 3.783 11.190 -0.647 1.00 0.00 H new ATOM 0 HB2 SER B 752 5.313 9.374 -0.314 1.00 0.00 H new ATOM 0 HB3 SER B 752 6.637 10.232 -1.076 1.00 0.00 H new ATOM 0 HG SER B 752 6.774 10.295 1.251 1.00 0.00 H new ATOM 738 N THR B 753 6.163 13.156 -1.787 1.00 0.00 N ATOM 739 CA THR B 753 6.691 14.515 -1.722 1.00 0.00 C ATOM 740 C THR B 753 5.595 15.532 -2.022 1.00 0.00 C ATOM 741 O THR B 753 5.457 16.531 -1.321 1.00 0.00 O ATOM 742 CB THR B 753 7.833 14.685 -2.728 1.00 0.00 C ATOM 743 OG1 THR B 753 8.879 13.778 -2.410 1.00 0.00 O ATOM 744 CG2 THR B 753 8.363 16.118 -2.666 1.00 0.00 C ATOM 0 H THR B 753 6.576 12.573 -2.515 1.00 0.00 H new ATOM 0 HA THR B 753 7.067 14.687 -0.713 1.00 0.00 H new ATOM 0 HB THR B 753 7.465 14.480 -3.733 1.00 0.00 H new ATOM 0 HG1 THR B 753 8.586 12.862 -2.599 1.00 0.00 H new ATOM 0 HG21 THR B 753 9.176 16.237 -3.383 1.00 0.00 H new ATOM 0 HG22 THR B 753 7.560 16.814 -2.909 1.00 0.00 H new ATOM 0 HG23 THR B 753 8.732 16.326 -1.662 1.00 0.00 H new ATOM 752 N PHE B 754 4.819 15.263 -3.061 1.00 0.00 N ATOM 753 CA PHE B 754 3.730 16.155 -3.453 1.00 0.00 C ATOM 754 C PHE B 754 2.732 16.310 -2.313 1.00 0.00 C ATOM 755 O PHE B 754 2.230 17.405 -2.058 1.00 0.00 O ATOM 756 CB PHE B 754 3.020 15.609 -4.690 1.00 0.00 C ATOM 757 CG PHE B 754 1.981 16.604 -5.152 1.00 0.00 C ATOM 758 CD1 PHE B 754 2.376 17.780 -5.803 1.00 0.00 C ATOM 759 CD2 PHE B 754 0.621 16.353 -4.928 1.00 0.00 C ATOM 760 CE1 PHE B 754 1.412 18.702 -6.231 1.00 0.00 C ATOM 761 CE2 PHE B 754 -0.341 17.275 -5.356 1.00 0.00 C ATOM 762 CZ PHE B 754 0.053 18.449 -6.007 1.00 0.00 C ATOM 0 H PHE B 754 4.920 14.436 -3.649 1.00 0.00 H new ATOM 0 HA PHE B 754 4.153 17.132 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE B 754 3.742 15.424 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE B 754 2.548 14.654 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE B 754 3.424 17.976 -5.975 1.00 0.00 H new ATOM 0 HD2 PHE B 754 0.315 15.448 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE B 754 1.717 19.608 -6.734 1.00 0.00 H new ATOM 0 HE2 PHE B 754 -1.389 17.080 -5.183 1.00 0.00 H new ATOM 0 HZ PHE B 754 -0.690 19.160 -6.337 1.00 0.00 H new ATOM 772 N THR B 755 2.447 15.209 -1.634 1.00 0.00 N ATOM 773 CA THR B 755 1.502 15.229 -0.524 1.00 0.00 C ATOM 774 C THR B 755 1.927 16.259 0.517 1.00 0.00 C ATOM 775 O THR B 755 1.096 16.964 1.086 1.00 0.00 O ATOM 776 CB THR B 755 1.423 13.845 0.126 1.00 0.00 C ATOM 777 OG1 THR B 755 1.275 12.857 -0.884 1.00 0.00 O ATOM 778 CG2 THR B 755 0.223 13.792 1.074 1.00 0.00 C ATOM 0 H THR B 755 2.853 14.294 -1.829 1.00 0.00 H new ATOM 0 HA THR B 755 0.520 15.501 -0.912 1.00 0.00 H new ATOM 0 HB THR B 755 2.337 13.655 0.689 1.00 0.00 H new ATOM 0 HG1 THR B 755 2.095 12.809 -1.418 1.00 0.00 H new ATOM 0 HG21 THR B 755 0.168 12.806 1.536 1.00 0.00 H new ATOM 0 HG22 THR B 755 0.338 14.550 1.849 1.00 0.00 H new ATOM 0 HG23 THR B 755 -0.692 13.982 0.513 1.00 0.00 H new ATOM 786 N ASN B 756 3.223 16.337 0.767 1.00 0.00 N ATOM 787 CA ASN B 756 3.740 17.290 1.743 1.00 0.00 C ATOM 788 C ASN B 756 3.492 18.725 1.283 1.00 0.00 C ATOM 789 O ASN B 756 3.052 19.569 2.065 1.00 0.00 O ATOM 790 CB ASN B 756 5.243 17.074 1.936 1.00 0.00 C ATOM 791 CG ASN B 756 5.797 18.087 2.934 1.00 0.00 C ATOM 792 OD1 ASN B 756 5.097 18.490 3.863 1.00 0.00 O ATOM 793 ND2 ASN B 756 7.019 18.524 2.796 1.00 0.00 N ATOM 0 H ASN B 756 3.932 15.760 0.315 1.00 0.00 H new ATOM 0 HA ASN B 756 3.220 17.128 2.687 1.00 0.00 H new ATOM 0 HB2 ASN B 756 5.429 16.061 2.293 1.00 0.00 H new ATOM 0 HB3 ASN B 756 5.758 17.175 0.981 1.00 0.00 H new ATOM 0 HD21 ASN B 756 7.396 19.201 3.459 1.00 0.00 H new ATOM 0 HD22 ASN B 756 7.597 18.188 2.025 1.00 0.00 H new ATOM 800 N ILE B 757 3.790 19.001 0.017 1.00 0.00 N ATOM 801 CA ILE B 757 3.603 20.345 -0.521 1.00 0.00 C ATOM 802 C ILE B 757 2.125 20.685 -0.656 1.00 0.00 C ATOM 803 O ILE B 757 1.673 21.741 -0.216 1.00 0.00 O ATOM 804 CB ILE B 757 4.268 20.451 -1.895 1.00 0.00 C ATOM 805 CG1 ILE B 757 5.685 19.877 -1.804 1.00 0.00 C ATOM 806 CG2 ILE B 757 4.340 21.926 -2.314 1.00 0.00 C ATOM 807 CD1 ILE B 757 6.497 20.275 -3.050 1.00 0.00 C ATOM 0 H ILE B 757 4.158 18.321 -0.649 1.00 0.00 H new ATOM 0 HA ILE B 757 4.061 21.050 0.173 1.00 0.00 H new ATOM 0 HB ILE B 757 3.689 19.894 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE B 757 6.179 20.247 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE B 757 5.641 18.791 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE B 757 4.814 22.004 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE B 757 3.333 22.339 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE B 757 4.925 22.484 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE B 757 7.503 19.862 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE B 757 6.009 19.884 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE B 757 6.555 21.362 -3.115 1.00 0.00 H new ATOM 819 N THR B 758 1.386 19.780 -1.266 1.00 0.00 N ATOM 820 CA THR B 758 -0.048 19.982 -1.468 1.00 0.00 C ATOM 821 C THR B 758 -0.763 20.105 -0.130 1.00 0.00 C ATOM 822 O THR B 758 -1.921 20.515 -0.062 1.00 0.00 O ATOM 823 CB THR B 758 -0.636 18.815 -2.277 1.00 0.00 C ATOM 824 OG1 THR B 758 -1.717 19.293 -3.067 1.00 0.00 O ATOM 825 CG2 THR B 758 -1.137 17.700 -1.347 1.00 0.00 C ATOM 0 H THR B 758 1.746 18.899 -1.632 1.00 0.00 H new ATOM 0 HA THR B 758 -0.194 20.908 -2.025 1.00 0.00 H new ATOM 0 HB THR B 758 0.145 18.405 -2.917 1.00 0.00 H new ATOM 0 HG1 THR B 758 -1.624 18.960 -3.984 1.00 0.00 H new ATOM 0 HG21 THR B 758 -1.548 16.886 -1.944 1.00 0.00 H new ATOM 0 HG22 THR B 758 -0.307 17.327 -0.747 1.00 0.00 H new ATOM 0 HG23 THR B 758 -1.911 18.095 -0.690 1.00 0.00 H new