USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 446 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 709 SER OG : rot -9:sc= 0.821 USER MOD Single : B 712 CYS SG : rot 180:sc= -0.368 USER MOD Single : B 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 720 THR OG1 : rot 76:sc= 0.25 USER MOD Single : B 722 HIS : no HD1:sc= 0 X(o=0,f=0) 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 738 LYS NZ :NH3+ 161:sc= -0.0602 (180deg=-0.551) USER MOD Single : B 741 THR OG1 : rot 180:sc= 0 USER MOD Single : B 743 ASN :FLIP amide:sc= 0.0984 F(o=-1.7!,f=0.098) USER MOD Single : B 744 ASN : amide:sc= -1.6 K(o=-1.6,f=-5.4!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ -163:sc= -0.0167 (180deg=-0.322) USER MOD Single : B 751 THR OG1 : rot -70:sc= 0.89 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 180:sc= 0 USER MOD Single : B 755 THR OG1 : rot 83:sc= 0.883 USER MOD Single : B 756 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.4!) USER MOD Single : B 758 THR OG1 : rot 80:sc= 0.376 USER MOD Single : B 759 TYR OH : rot 180:sc= 0 USER MOD Single : B 762 THR OG1 : rot 68:sc= 0.65 USER MOD ----------------------------------------------------------------- ATOM 1 N SER B 709 -3.780 0.582 20.132 1.00 0.00 N ATOM 2 CA SER B 709 -5.130 0.035 20.437 1.00 0.00 C ATOM 3 C SER B 709 -4.986 -1.373 21.022 1.00 0.00 C ATOM 4 O SER B 709 -3.877 -1.883 21.170 1.00 0.00 O ATOM 5 CB SER B 709 -5.970 0.005 19.141 1.00 0.00 C ATOM 6 OG SER B 709 -5.323 0.789 18.151 1.00 0.00 O ATOM 0 HA SER B 709 -5.635 0.666 21.168 1.00 0.00 H new ATOM 0 HB2 SER B 709 -6.086 -1.021 18.792 1.00 0.00 H new ATOM 0 HB3 SER B 709 -6.971 0.392 19.332 1.00 0.00 H new ATOM 0 HG SER B 709 -4.578 1.280 18.557 1.00 0.00 H new ATOM 12 N PRO B 710 -6.090 -2.009 21.340 1.00 0.00 N ATOM 13 CA PRO B 710 -6.091 -3.392 21.903 1.00 0.00 C ATOM 14 C PRO B 710 -5.472 -4.405 20.937 1.00 0.00 C ATOM 15 O PRO B 710 -5.623 -4.291 19.719 1.00 0.00 O ATOM 16 CB PRO B 710 -7.587 -3.694 22.146 1.00 0.00 C ATOM 17 CG PRO B 710 -8.265 -2.359 22.159 1.00 0.00 C ATOM 18 CD PRO B 710 -7.461 -1.481 21.207 1.00 0.00 C ATOM 0 HA PRO B 710 -5.491 -3.465 22.810 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -7.992 -4.332 21.361 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -7.734 -4.218 23.090 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -9.302 -2.443 21.833 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -8.280 -1.937 23.164 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -7.825 -1.559 20.183 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -7.516 -0.429 21.486 1.00 0.00 H new ATOM 26 N GLU B 711 -4.781 -5.393 21.490 1.00 0.00 N ATOM 27 CA GLU B 711 -4.150 -6.422 20.673 1.00 0.00 C ATOM 28 C GLU B 711 -5.206 -7.273 19.976 1.00 0.00 C ATOM 29 O GLU B 711 -5.046 -7.651 18.815 1.00 0.00 O ATOM 30 CB GLU B 711 -3.272 -7.316 21.549 1.00 0.00 C ATOM 31 CG GLU B 711 -2.084 -6.507 22.073 1.00 0.00 C ATOM 32 CD GLU B 711 -1.254 -7.359 23.027 1.00 0.00 C ATOM 33 OE1 GLU B 711 -1.613 -8.507 23.229 1.00 0.00 O ATOM 34 OE2 GLU B 711 -0.273 -6.849 23.543 1.00 0.00 O ATOM 0 H GLU B 711 -4.643 -5.504 22.495 1.00 0.00 H new ATOM 0 HA GLU B 711 -3.534 -5.934 19.917 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -3.853 -7.710 22.383 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -2.918 -8.172 20.974 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -1.466 -6.172 21.240 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -2.440 -5.613 22.586 1.00 0.00 H new ATOM 41 N CYS B 712 -6.287 -7.572 20.691 1.00 0.00 N ATOM 42 CA CYS B 712 -7.362 -8.380 20.129 1.00 0.00 C ATOM 43 C CYS B 712 -7.979 -7.685 18.923 1.00 0.00 C ATOM 44 O CYS B 712 -8.241 -8.312 17.898 1.00 0.00 O ATOM 45 CB CYS B 712 -8.442 -8.625 21.186 1.00 0.00 C ATOM 46 SG CYS B 712 -8.955 -7.043 21.899 1.00 0.00 S ATOM 0 H CYS B 712 -6.440 -7.269 21.653 1.00 0.00 H new ATOM 0 HA CYS B 712 -6.943 -9.335 19.810 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -9.298 -9.129 20.737 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -8.059 -9.282 21.967 1.00 0.00 H new ATOM 0 HG CYS B 712 -9.874 -7.249 22.795 1.00 0.00 H new ATOM 52 N LEU B 713 -8.209 -6.384 19.053 1.00 0.00 N ATOM 53 CA LEU B 713 -8.797 -5.618 17.963 1.00 0.00 C ATOM 54 C LEU B 713 -7.875 -5.621 16.749 1.00 0.00 C ATOM 55 O LEU B 713 -8.326 -5.791 15.616 1.00 0.00 O ATOM 56 CB LEU B 713 -9.053 -4.172 18.412 1.00 0.00 C ATOM 57 CG LEU B 713 -9.608 -3.341 17.242 1.00 0.00 C ATOM 58 CD1 LEU B 713 -10.898 -3.983 16.701 1.00 0.00 C ATOM 59 CD2 LEU B 713 -9.899 -1.916 17.729 1.00 0.00 C ATOM 0 H LEU B 713 -8.000 -5.843 19.892 1.00 0.00 H new ATOM 0 HA LEU B 713 -9.744 -6.083 17.688 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -9.759 -4.161 19.242 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -8.127 -3.727 18.776 1.00 0.00 H new ATOM 0 HG LEU B 713 -8.871 -3.310 16.440 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -11.282 -3.387 15.873 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -10.683 -4.993 16.351 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -11.644 -4.025 17.495 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -10.293 -1.323 16.904 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -10.633 -1.949 18.534 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -8.979 -1.462 18.096 1.00 0.00 H new ATOM 71 N ILE B 714 -6.586 -5.420 16.992 1.00 0.00 N ATOM 72 CA ILE B 714 -5.614 -5.388 15.907 1.00 0.00 C ATOM 73 C ILE B 714 -5.549 -6.743 15.212 1.00 0.00 C ATOM 74 O ILE B 714 -5.513 -6.822 13.985 1.00 0.00 O ATOM 75 CB ILE B 714 -4.233 -5.021 16.460 1.00 0.00 C ATOM 76 CG1 ILE B 714 -4.254 -3.574 16.961 1.00 0.00 C ATOM 77 CG2 ILE B 714 -3.183 -5.155 15.352 1.00 0.00 C ATOM 78 CD1 ILE B 714 -2.990 -3.300 17.781 1.00 0.00 C ATOM 0 H ILE B 714 -6.192 -5.278 17.922 1.00 0.00 H new ATOM 0 HA ILE B 714 -5.924 -4.637 15.180 1.00 0.00 H new ATOM 0 HB ILE B 714 -3.983 -5.692 17.282 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -4.309 -2.886 16.117 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -5.141 -3.402 17.571 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -2.201 -4.894 15.747 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -3.166 -6.183 14.989 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -3.434 -4.484 14.530 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -3.004 -2.270 18.138 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -2.955 -3.979 18.633 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -2.110 -3.455 17.156 1.00 0.00 H new ATOM 90 N TRP B 715 -5.533 -7.806 16.007 1.00 0.00 N ATOM 91 CA TRP B 715 -5.469 -9.154 15.459 1.00 0.00 C ATOM 92 C TRP B 715 -6.677 -9.429 14.576 1.00 0.00 C ATOM 93 O TRP B 715 -6.556 -10.024 13.505 1.00 0.00 O ATOM 94 CB TRP B 715 -5.412 -10.181 16.600 1.00 0.00 C ATOM 95 CG TRP B 715 -4.028 -10.235 17.169 1.00 0.00 C ATOM 96 CD1 TRP B 715 -3.113 -9.241 17.092 1.00 0.00 C ATOM 97 CD2 TRP B 715 -3.384 -11.328 17.884 1.00 0.00 C ATOM 98 NE1 TRP B 715 -1.952 -9.653 17.718 1.00 0.00 N ATOM 99 CE2 TRP B 715 -2.069 -10.932 18.222 1.00 0.00 C ATOM 100 CE3 TRP B 715 -3.810 -12.612 18.270 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -1.205 -11.778 18.917 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -2.944 -13.467 18.970 1.00 0.00 C ATOM 103 CH2 TRP B 715 -1.643 -13.050 19.292 1.00 0.00 C ATOM 0 H TRP B 715 -5.563 -7.761 17.026 1.00 0.00 H new ATOM 0 HA TRP B 715 -4.567 -9.240 14.853 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -6.125 -9.911 17.379 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -5.701 -11.165 16.230 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -3.265 -8.282 16.619 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -1.111 -9.081 17.798 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -4.809 -12.942 18.026 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -0.205 -11.452 19.163 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -3.281 -14.451 19.262 1.00 0.00 H new ATOM 0 HH2 TRP B 715 -0.981 -13.713 19.830 1.00 0.00 H new ATOM 114 N LYS B 716 -7.840 -8.996 15.030 1.00 0.00 N ATOM 115 CA LYS B 716 -9.062 -9.208 14.272 1.00 0.00 C ATOM 116 C LYS B 716 -9.002 -8.454 12.951 1.00 0.00 C ATOM 117 O LYS B 716 -9.493 -8.934 11.930 1.00 0.00 O ATOM 118 CB LYS B 716 -10.272 -8.728 15.079 1.00 0.00 C ATOM 119 CG LYS B 716 -11.580 -9.190 14.406 1.00 0.00 C ATOM 120 CD LYS B 716 -11.946 -10.599 14.883 1.00 0.00 C ATOM 121 CE LYS B 716 -13.283 -11.011 14.271 1.00 0.00 C ATOM 122 NZ LYS B 716 -13.635 -12.377 14.747 1.00 0.00 N ATOM 0 H LYS B 716 -7.965 -8.499 15.912 1.00 0.00 H new ATOM 0 HA LYS B 716 -9.163 -10.274 14.070 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -10.219 -9.120 16.095 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -10.259 -7.641 15.156 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -12.386 -8.496 14.644 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -11.463 -9.183 13.322 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -11.168 -11.306 14.594 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -12.009 -10.621 15.971 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -14.061 -10.302 14.554 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -13.219 -10.997 13.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -14.545 -12.665 14.334 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -12.895 -13.047 14.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -13.711 -12.374 15.784 1.00 0.00 H new ATOM 136 N LEU B 717 -8.403 -7.272 12.979 1.00 0.00 N ATOM 137 CA LEU B 717 -8.298 -6.464 11.775 1.00 0.00 C ATOM 138 C LEU B 717 -7.501 -7.206 10.714 1.00 0.00 C ATOM 139 O LEU B 717 -7.854 -7.192 9.535 1.00 0.00 O ATOM 140 CB LEU B 717 -7.618 -5.126 12.093 1.00 0.00 C ATOM 141 CG LEU B 717 -7.412 -4.312 10.805 1.00 0.00 C ATOM 142 CD1 LEU B 717 -8.756 -4.112 10.084 1.00 0.00 C ATOM 143 CD2 LEU B 717 -6.810 -2.948 11.162 1.00 0.00 C ATOM 0 H LEU B 717 -7.987 -6.856 13.812 1.00 0.00 H new ATOM 0 HA LEU B 717 -9.302 -6.271 11.396 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -8.228 -4.559 12.796 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -6.657 -5.304 12.576 1.00 0.00 H new ATOM 0 HG LEU B 717 -6.735 -4.852 10.143 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -8.598 -3.534 9.173 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -9.180 -5.083 9.829 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -9.444 -3.577 10.738 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -6.662 -2.366 10.252 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -7.488 -2.414 11.828 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -5.851 -3.093 11.660 1.00 0.00 H new ATOM 155 N LEU B 718 -6.424 -7.847 11.139 1.00 0.00 N ATOM 156 CA LEU B 718 -5.581 -8.583 10.212 1.00 0.00 C ATOM 157 C LEU B 718 -6.368 -9.712 9.559 1.00 0.00 C ATOM 158 O LEU B 718 -6.224 -9.969 8.364 1.00 0.00 O ATOM 159 CB LEU B 718 -4.361 -9.156 10.944 1.00 0.00 C ATOM 160 CG LEU B 718 -3.526 -10.026 9.987 1.00 0.00 C ATOM 161 CD1 LEU B 718 -3.121 -9.211 8.748 1.00 0.00 C ATOM 162 CD2 LEU B 718 -2.268 -10.511 10.717 1.00 0.00 C ATOM 0 H LEU B 718 -6.115 -7.873 12.111 1.00 0.00 H new ATOM 0 HA LEU B 718 -5.241 -7.896 9.437 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -3.749 -8.344 11.336 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -4.686 -9.751 11.797 1.00 0.00 H new ATOM 0 HG LEU B 718 -4.121 -10.881 9.667 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -2.531 -9.836 8.078 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -4.016 -8.868 8.229 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -2.528 -8.350 9.057 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -1.672 -11.128 10.044 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -1.680 -9.652 11.038 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -2.557 -11.099 11.588 1.00 0.00 H new ATOM 174 N ILE B 719 -7.186 -10.394 10.354 1.00 0.00 N ATOM 175 CA ILE B 719 -7.968 -11.507 9.843 1.00 0.00 C ATOM 176 C ILE B 719 -8.918 -11.024 8.751 1.00 0.00 C ATOM 177 O ILE B 719 -9.059 -11.666 7.710 1.00 0.00 O ATOM 178 CB ILE B 719 -8.782 -12.127 10.985 1.00 0.00 C ATOM 179 CG1 ILE B 719 -7.823 -12.738 12.010 1.00 0.00 C ATOM 180 CG2 ILE B 719 -9.699 -13.223 10.423 1.00 0.00 C ATOM 181 CD1 ILE B 719 -8.608 -13.241 13.226 1.00 0.00 C ATOM 0 H ILE B 719 -7.322 -10.196 11.345 1.00 0.00 H new ATOM 0 HA ILE B 719 -7.292 -12.252 9.424 1.00 0.00 H new ATOM 0 HB ILE B 719 -9.389 -11.359 11.463 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -7.270 -13.561 11.558 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -7.089 -11.995 12.322 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -10.278 -13.664 11.234 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -10.377 -12.789 9.688 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -9.094 -13.995 9.947 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -7.918 -13.674 13.950 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -9.141 -12.408 13.685 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -9.324 -13.999 12.909 1.00 0.00 H new ATOM 193 N THR B 720 -9.568 -9.892 8.995 1.00 0.00 N ATOM 194 CA THR B 720 -10.504 -9.337 8.026 1.00 0.00 C ATOM 195 C THR B 720 -9.788 -9.000 6.723 1.00 0.00 C ATOM 196 O THR B 720 -10.277 -9.308 5.638 1.00 0.00 O ATOM 197 CB THR B 720 -11.160 -8.076 8.591 1.00 0.00 C ATOM 198 OG1 THR B 720 -11.649 -8.344 9.899 1.00 0.00 O ATOM 199 CG2 THR B 720 -12.318 -7.649 7.687 1.00 0.00 C ATOM 0 H THR B 720 -9.465 -9.344 9.849 1.00 0.00 H new ATOM 0 HA THR B 720 -11.272 -10.084 7.824 1.00 0.00 H new ATOM 0 HB THR B 720 -10.424 -7.273 8.635 1.00 0.00 H new ATOM 0 HG1 THR B 720 -10.899 -8.369 10.530 1.00 0.00 H new ATOM 0 HG21 THR B 720 -12.783 -6.750 8.092 1.00 0.00 H new ATOM 0 HG22 THR B 720 -11.941 -7.442 6.685 1.00 0.00 H new ATOM 0 HG23 THR B 720 -13.056 -8.450 7.639 1.00 0.00 H new ATOM 207 N ILE B 721 -8.627 -8.366 6.839 1.00 0.00 N ATOM 208 CA ILE B 721 -7.853 -7.987 5.663 1.00 0.00 C ATOM 209 C ILE B 721 -7.414 -9.232 4.893 1.00 0.00 C ATOM 210 O ILE B 721 -7.489 -9.273 3.665 1.00 0.00 O ATOM 211 CB ILE B 721 -6.619 -7.184 6.090 1.00 0.00 C ATOM 212 CG1 ILE B 721 -7.065 -5.839 6.666 1.00 0.00 C ATOM 213 CG2 ILE B 721 -5.720 -6.935 4.876 1.00 0.00 C ATOM 214 CD1 ILE B 721 -5.885 -5.171 7.376 1.00 0.00 C ATOM 0 H ILE B 721 -8.203 -8.105 7.729 1.00 0.00 H new ATOM 0 HA ILE B 721 -8.479 -7.373 5.015 1.00 0.00 H new ATOM 0 HB ILE B 721 -6.067 -7.746 6.843 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -7.435 -5.195 5.869 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -7.888 -5.986 7.365 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -4.844 -6.364 5.183 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -5.402 -7.890 4.457 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -6.273 -6.374 4.123 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -6.203 -4.213 7.786 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -5.535 -5.814 8.184 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -5.076 -5.010 6.664 1.00 0.00 H new ATOM 226 N HIS B 722 -6.955 -10.240 5.623 1.00 0.00 N ATOM 227 CA HIS B 722 -6.502 -11.478 5.002 1.00 0.00 C ATOM 228 C HIS B 722 -7.655 -12.165 4.276 1.00 0.00 C ATOM 229 O HIS B 722 -7.460 -12.797 3.239 1.00 0.00 O ATOM 230 CB HIS B 722 -5.928 -12.420 6.061 1.00 0.00 C ATOM 231 CG HIS B 722 -5.340 -13.631 5.389 1.00 0.00 C ATOM 232 ND1 HIS B 722 -4.111 -13.597 4.749 1.00 0.00 N ATOM 233 CD2 HIS B 722 -5.800 -14.917 5.250 1.00 0.00 C ATOM 234 CE1 HIS B 722 -3.875 -14.828 4.258 1.00 0.00 C ATOM 235 NE2 HIS B 722 -4.873 -15.671 4.535 1.00 0.00 N ATOM 0 H HIS B 722 -6.887 -10.226 6.641 1.00 0.00 H new ATOM 0 HA HIS B 722 -5.724 -11.234 4.278 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -5.163 -11.907 6.643 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -6.710 -12.721 6.758 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -6.738 -15.287 5.636 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -2.987 -15.101 3.707 1.00 0.00 H new ATOM 0 HE2 HIS B 722 -4.942 -16.656 4.278 1.00 0.00 H new ATOM 244 N ASP B 723 -8.855 -12.042 4.833 1.00 0.00 N ATOM 245 CA ASP B 723 -10.032 -12.663 4.234 1.00 0.00 C ATOM 246 C ASP B 723 -10.413 -11.952 2.939 1.00 0.00 C ATOM 247 O ASP B 723 -11.122 -12.508 2.101 1.00 0.00 O ATOM 248 CB ASP B 723 -11.206 -12.601 5.213 1.00 0.00 C ATOM 249 CG ASP B 723 -10.963 -13.551 6.380 1.00 0.00 C ATOM 250 OD1 ASP B 723 -10.087 -14.392 6.262 1.00 0.00 O ATOM 251 OD2 ASP B 723 -11.655 -13.422 7.377 1.00 0.00 O ATOM 0 H ASP B 723 -9.038 -11.522 5.691 1.00 0.00 H new ATOM 0 HA ASP B 723 -9.797 -13.703 4.009 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -11.329 -11.583 5.582 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -12.131 -12.869 4.702 1.00 0.00 H new ATOM 256 N ARG B 724 -9.929 -10.723 2.776 1.00 0.00 N ATOM 257 CA ARG B 724 -10.216 -9.949 1.572 1.00 0.00 C ATOM 258 C ARG B 724 -9.236 -10.304 0.462 1.00 0.00 C ATOM 259 O ARG B 724 -8.039 -10.468 0.702 1.00 0.00 O ATOM 260 CB ARG B 724 -10.122 -8.453 1.878 1.00 0.00 C ATOM 261 CG ARG B 724 -11.305 -8.034 2.751 1.00 0.00 C ATOM 262 CD ARG B 724 -11.177 -6.552 3.106 1.00 0.00 C ATOM 263 NE ARG B 724 -12.286 -6.140 3.963 1.00 0.00 N ATOM 264 CZ ARG B 724 -13.445 -5.733 3.451 1.00 0.00 C ATOM 265 NH1 ARG B 724 -13.610 -5.695 2.158 1.00 0.00 N ATOM 266 NH2 ARG B 724 -14.416 -5.373 4.245 1.00 0.00 N ATOM 0 H ARG B 724 -9.340 -10.245 3.458 1.00 0.00 H new ATOM 0 HA ARG B 724 -11.226 -10.189 1.241 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -9.184 -8.234 2.389 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -10.121 -7.881 0.950 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -12.242 -8.213 2.223 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -11.331 -8.636 3.660 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -10.229 -6.373 3.614 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -11.169 -5.952 2.196 1.00 0.00 H new ATOM 0 HE ARG B 724 -12.169 -6.165 4.976 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -12.851 -5.977 1.538 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -14.499 -5.383 1.766 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -14.286 -5.404 5.256 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -15.305 -5.061 3.854 1.00 0.00 H new ATOM 280 N LYS B 725 -9.752 -10.421 -0.756 1.00 0.00 N ATOM 281 CA LYS B 725 -8.918 -10.755 -1.904 1.00 0.00 C ATOM 282 C LYS B 725 -8.118 -9.539 -2.356 1.00 0.00 C ATOM 283 O LYS B 725 -7.100 -9.673 -3.033 1.00 0.00 O ATOM 284 CB LYS B 725 -9.794 -11.259 -3.054 1.00 0.00 C ATOM 285 CG LYS B 725 -10.773 -10.161 -3.475 1.00 0.00 C ATOM 286 CD LYS B 725 -11.695 -10.691 -4.574 1.00 0.00 C ATOM 287 CE LYS B 725 -12.680 -9.595 -4.983 1.00 0.00 C ATOM 288 NZ LYS B 725 -13.547 -10.094 -6.087 1.00 0.00 N ATOM 0 H LYS B 725 -10.740 -10.290 -0.974 1.00 0.00 H new ATOM 0 HA LYS B 725 -8.221 -11.540 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -9.170 -11.547 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -10.342 -12.149 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -11.362 -9.836 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -10.226 -9.290 -3.834 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -11.107 -11.007 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -12.236 -11.568 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -13.292 -9.304 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -12.138 -8.706 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -14.217 -9.349 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -12.956 -10.351 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -14.074 -10.930 -5.764 1.00 0.00 H new ATOM 302 N GLU B 726 -8.589 -8.355 -1.983 1.00 0.00 N ATOM 303 CA GLU B 726 -7.910 -7.123 -2.365 1.00 0.00 C ATOM 304 C GLU B 726 -6.481 -7.118 -1.832 1.00 0.00 C ATOM 305 O GLU B 726 -5.554 -6.689 -2.518 1.00 0.00 O ATOM 306 CB GLU B 726 -8.670 -5.915 -1.809 1.00 0.00 C ATOM 307 CG GLU B 726 -8.105 -4.628 -2.417 1.00 0.00 C ATOM 308 CD GLU B 726 -8.509 -4.529 -3.884 1.00 0.00 C ATOM 309 OE1 GLU B 726 -9.337 -5.321 -4.304 1.00 0.00 O ATOM 310 OE2 GLU B 726 -7.993 -3.657 -4.563 1.00 0.00 O ATOM 0 H GLU B 726 -9.430 -8.222 -1.422 1.00 0.00 H new ATOM 0 HA GLU B 726 -7.882 -7.064 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -9.732 -6.003 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -8.582 -5.885 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -8.477 -3.762 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -7.019 -4.619 -2.328 1.00 0.00 H new ATOM 317 N PHE B 727 -6.309 -7.595 -0.604 1.00 0.00 N ATOM 318 CA PHE B 727 -4.986 -7.638 0.009 1.00 0.00 C ATOM 319 C PHE B 727 -4.044 -8.514 -0.809 1.00 0.00 C ATOM 320 O PHE B 727 -2.909 -8.127 -1.090 1.00 0.00 O ATOM 321 CB PHE B 727 -5.089 -8.189 1.430 1.00 0.00 C ATOM 322 CG PHE B 727 -3.716 -8.225 2.059 1.00 0.00 C ATOM 323 CD1 PHE B 727 -3.140 -7.047 2.551 1.00 0.00 C ATOM 324 CD2 PHE B 727 -3.017 -9.436 2.149 1.00 0.00 C ATOM 325 CE1 PHE B 727 -1.867 -7.080 3.133 1.00 0.00 C ATOM 326 CE2 PHE B 727 -1.744 -9.468 2.731 1.00 0.00 C ATOM 327 CZ PHE B 727 -1.169 -8.291 3.222 1.00 0.00 C ATOM 0 H PHE B 727 -7.062 -7.955 -0.017 1.00 0.00 H new ATOM 0 HA PHE B 727 -4.587 -6.624 0.039 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -5.757 -7.566 2.025 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -5.519 -9.191 1.412 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -3.678 -6.113 2.481 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -3.460 -10.345 1.769 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -1.423 -6.172 3.513 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -1.206 -10.402 2.801 1.00 0.00 H new ATOM 0 HZ PHE B 727 -0.187 -8.316 3.670 1.00 0.00 H new ATOM 337 N ALA B 728 -4.521 -9.695 -1.189 1.00 0.00 N ATOM 338 CA ALA B 728 -3.711 -10.616 -1.974 1.00 0.00 C ATOM 339 C ALA B 728 -3.374 -10.007 -3.330 1.00 0.00 C ATOM 340 O ALA B 728 -2.250 -10.129 -3.812 1.00 0.00 O ATOM 341 CB ALA B 728 -4.466 -11.932 -2.175 1.00 0.00 C ATOM 0 H ALA B 728 -5.457 -10.034 -0.968 1.00 0.00 H new ATOM 0 HA ALA B 728 -2.784 -10.809 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -3.854 -12.616 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -4.681 -12.380 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -5.401 -11.738 -2.701 1.00 0.00 H new ATOM 347 N LYS B 729 -4.351 -9.345 -3.938 1.00 0.00 N ATOM 348 CA LYS B 729 -4.136 -8.720 -5.237 1.00 0.00 C ATOM 349 C LYS B 729 -3.080 -7.625 -5.140 1.00 0.00 C ATOM 350 O LYS B 729 -2.195 -7.528 -5.990 1.00 0.00 O ATOM 351 CB LYS B 729 -5.448 -8.121 -5.742 1.00 0.00 C ATOM 352 CG LYS B 729 -6.414 -9.249 -6.119 1.00 0.00 C ATOM 353 CD LYS B 729 -7.788 -8.664 -6.472 1.00 0.00 C ATOM 354 CE LYS B 729 -7.756 -8.038 -7.872 1.00 0.00 C ATOM 355 NZ LYS B 729 -9.147 -7.739 -8.310 1.00 0.00 N ATOM 0 H LYS B 729 -5.290 -9.228 -3.558 1.00 0.00 H new ATOM 0 HA LYS B 729 -3.786 -9.481 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -5.892 -7.490 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -5.260 -7.485 -6.607 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -6.019 -9.810 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -6.510 -9.950 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -8.545 -9.447 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -8.070 -7.911 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -7.162 -7.124 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -7.279 -8.719 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -9.128 -7.314 -9.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -9.700 -8.620 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -9.586 -7.074 -7.642 1.00 0.00 H new ATOM 369 N PHE B 730 -3.174 -6.805 -4.096 1.00 0.00 N ATOM 370 CA PHE B 730 -2.219 -5.727 -3.896 1.00 0.00 C ATOM 371 C PHE B 730 -0.813 -6.290 -3.728 1.00 0.00 C ATOM 372 O PHE B 730 0.141 -5.792 -4.323 1.00 0.00 O ATOM 373 CB PHE B 730 -2.603 -4.918 -2.658 1.00 0.00 C ATOM 374 CG PHE B 730 -1.608 -3.799 -2.462 1.00 0.00 C ATOM 375 CD1 PHE B 730 -1.668 -2.662 -3.273 1.00 0.00 C ATOM 376 CD2 PHE B 730 -0.626 -3.902 -1.470 1.00 0.00 C ATOM 377 CE1 PHE B 730 -0.746 -1.625 -3.093 1.00 0.00 C ATOM 378 CE2 PHE B 730 0.296 -2.867 -1.290 1.00 0.00 C ATOM 379 CZ PHE B 730 0.237 -1.727 -2.101 1.00 0.00 C ATOM 0 H PHE B 730 -3.899 -6.869 -3.381 1.00 0.00 H new ATOM 0 HA PHE B 730 -2.235 -5.077 -4.771 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -3.607 -4.510 -2.773 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -2.620 -5.563 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -2.426 -2.584 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -0.581 -4.781 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -0.793 -0.746 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE B 730 1.054 -2.947 -0.525 1.00 0.00 H new ATOM 0 HZ PHE B 730 0.949 -0.927 -1.962 1.00 0.00 H new ATOM 389 N GLU B 731 -0.694 -7.334 -2.911 1.00 0.00 N ATOM 390 CA GLU B 731 0.603 -7.957 -2.673 1.00 0.00 C ATOM 391 C GLU B 731 1.193 -8.492 -3.973 1.00 0.00 C ATOM 392 O GLU B 731 2.357 -8.239 -4.285 1.00 0.00 O ATOM 393 CB GLU B 731 0.453 -9.099 -1.672 1.00 0.00 C ATOM 394 CG GLU B 731 0.165 -8.523 -0.287 1.00 0.00 C ATOM 395 CD GLU B 731 1.385 -7.779 0.249 1.00 0.00 C ATOM 396 OE1 GLU B 731 2.476 -8.050 -0.226 1.00 0.00 O ATOM 397 OE2 GLU B 731 1.209 -6.945 1.121 1.00 0.00 O ATOM 0 H GLU B 731 -1.472 -7.762 -2.408 1.00 0.00 H new ATOM 0 HA GLU B 731 1.278 -7.202 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -0.356 -9.762 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU B 731 1.363 -9.698 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -0.687 -7.845 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -0.108 -9.326 0.397 1.00 0.00 H new ATOM 404 N GLU B 732 0.386 -9.228 -4.730 1.00 0.00 N ATOM 405 CA GLU B 732 0.839 -9.788 -5.992 1.00 0.00 C ATOM 406 C GLU B 732 1.115 -8.678 -7.001 1.00 0.00 C ATOM 407 O GLU B 732 2.074 -8.748 -7.769 1.00 0.00 O ATOM 408 CB GLU B 732 -0.224 -10.733 -6.552 1.00 0.00 C ATOM 409 CG GLU B 732 -0.364 -11.941 -5.628 1.00 0.00 C ATOM 410 CD GLU B 732 -1.427 -12.891 -6.167 1.00 0.00 C ATOM 411 OE1 GLU B 732 -1.964 -12.609 -7.226 1.00 0.00 O ATOM 412 OE2 GLU B 732 -1.688 -13.890 -5.516 1.00 0.00 O ATOM 0 H GLU B 732 -0.581 -9.448 -4.490 1.00 0.00 H new ATOM 0 HA GLU B 732 1.762 -10.341 -5.814 1.00 0.00 H new ATOM 0 HB2 GLU B 732 -1.179 -10.214 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU B 732 0.054 -11.058 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU B 732 0.591 -12.460 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU B 732 -0.634 -11.612 -4.625 1.00 0.00 H new ATOM 419 N GLU B 733 0.265 -7.656 -6.996 1.00 0.00 N ATOM 420 CA GLU B 733 0.428 -6.542 -7.919 1.00 0.00 C ATOM 421 C GLU B 733 1.713 -5.786 -7.612 1.00 0.00 C ATOM 422 O GLU B 733 2.384 -5.292 -8.517 1.00 0.00 O ATOM 423 CB GLU B 733 -0.769 -5.588 -7.808 1.00 0.00 C ATOM 424 CG GLU B 733 -0.690 -4.518 -8.904 1.00 0.00 C ATOM 425 CD GLU B 733 -0.958 -5.148 -10.266 1.00 0.00 C ATOM 426 OE1 GLU B 733 -1.336 -6.307 -10.296 1.00 0.00 O ATOM 427 OE2 GLU B 733 -0.787 -4.461 -11.259 1.00 0.00 O ATOM 0 H GLU B 733 -0.536 -7.577 -6.369 1.00 0.00 H new ATOM 0 HA GLU B 733 0.481 -6.937 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -1.700 -6.147 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -0.778 -5.115 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -1.418 -3.731 -8.708 1.00 0.00 H new ATOM 0 HG3 GLU B 733 0.295 -4.051 -8.897 1.00 0.00 H new ATOM 434 N ARG B 734 2.049 -5.688 -6.331 1.00 0.00 N ATOM 435 CA ARG B 734 3.253 -4.975 -5.930 1.00 0.00 C ATOM 436 C ARG B 734 4.491 -5.634 -6.543 1.00 0.00 C ATOM 437 O ARG B 734 5.349 -4.965 -7.118 1.00 0.00 O ATOM 438 CB ARG B 734 3.363 -4.973 -4.390 1.00 0.00 C ATOM 439 CG ARG B 734 4.020 -3.677 -3.902 1.00 0.00 C ATOM 440 CD ARG B 734 5.415 -3.548 -4.510 1.00 0.00 C ATOM 441 NE ARG B 734 6.186 -2.539 -3.797 1.00 0.00 N ATOM 442 CZ ARG B 734 7.249 -1.969 -4.353 1.00 0.00 C ATOM 443 NH1 ARG B 734 7.619 -2.309 -5.558 1.00 0.00 N ATOM 444 NH2 ARG B 734 7.922 -1.070 -3.693 1.00 0.00 N ATOM 0 H ARG B 734 1.512 -6.088 -5.562 1.00 0.00 H new ATOM 0 HA ARG B 734 3.194 -3.948 -6.289 1.00 0.00 H new ATOM 0 HB2 ARG B 734 2.372 -5.074 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG B 734 3.948 -5.831 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG B 734 3.409 -2.819 -4.184 1.00 0.00 H new ATOM 0 HG3 ARG B 734 4.085 -3.678 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG B 734 5.929 -4.508 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG B 734 5.337 -3.278 -5.563 1.00 0.00 H new ATOM 0 HE ARG B 734 5.905 -2.266 -2.855 1.00 0.00 H new ATOM 0 HH11 ARG B 734 7.091 -3.013 -6.074 1.00 0.00 H new ATOM 0 HH12 ARG B 734 8.436 -1.870 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG B 734 7.632 -0.805 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG B 734 8.739 -0.631 -4.118 1.00 0.00 H new ATOM 458 N ALA B 735 4.571 -6.952 -6.423 1.00 0.00 N ATOM 459 CA ALA B 735 5.705 -7.683 -6.967 1.00 0.00 C ATOM 460 C ALA B 735 5.741 -7.565 -8.486 1.00 0.00 C ATOM 461 O ALA B 735 6.802 -7.376 -9.079 1.00 0.00 O ATOM 462 CB ALA B 735 5.618 -9.155 -6.562 1.00 0.00 C ATOM 0 H ALA B 735 3.872 -7.531 -5.959 1.00 0.00 H new ATOM 0 HA ALA B 735 6.621 -7.252 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA B 735 6.470 -9.696 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA B 735 5.627 -9.234 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA B 735 4.694 -9.585 -6.949 1.00 0.00 H new ATOM 468 N ARG B 736 4.574 -7.672 -9.110 1.00 0.00 N ATOM 469 CA ARG B 736 4.477 -7.570 -10.553 1.00 0.00 C ATOM 470 C ARG B 736 4.742 -6.144 -11.013 1.00 0.00 C ATOM 471 O ARG B 736 5.334 -5.919 -12.067 1.00 0.00 O ATOM 472 CB ARG B 736 3.085 -8.011 -10.999 1.00 0.00 C ATOM 473 CG ARG B 736 2.906 -9.522 -10.770 1.00 0.00 C ATOM 474 CD ARG B 736 3.511 -10.320 -11.934 1.00 0.00 C ATOM 475 NE ARG B 736 3.243 -11.743 -11.754 1.00 0.00 N ATOM 476 CZ ARG B 736 4.083 -12.529 -11.087 1.00 0.00 C ATOM 477 NH1 ARG B 736 5.168 -12.029 -10.560 1.00 0.00 N ATOM 478 NH2 ARG B 736 3.819 -13.797 -10.955 1.00 0.00 N ATOM 0 H ARG B 736 3.685 -7.829 -8.636 1.00 0.00 H new ATOM 0 HA ARG B 736 5.229 -8.218 -11.003 1.00 0.00 H new ATOM 0 HB2 ARG B 736 2.326 -7.460 -10.444 1.00 0.00 H new ATOM 0 HB3 ARG B 736 2.942 -7.776 -12.054 1.00 0.00 H new ATOM 0 HG2 ARG B 736 3.385 -9.813 -9.835 1.00 0.00 H new ATOM 0 HG3 ARG B 736 1.846 -9.758 -10.672 1.00 0.00 H new ATOM 0 HD2 ARG B 736 3.088 -9.978 -12.879 1.00 0.00 H new ATOM 0 HD3 ARG B 736 4.586 -10.147 -11.985 1.00 0.00 H new ATOM 0 HE ARG B 736 2.392 -12.144 -12.149 1.00 0.00 H new ATOM 0 HH11 ARG B 736 5.372 -11.035 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG B 736 5.812 -12.633 -10.049 1.00 0.00 H new ATOM 0 HH21 ARG B 736 2.969 -14.186 -11.363 1.00 0.00 H new ATOM 0 HH22 ARG B 736 4.462 -14.401 -10.444 1.00 0.00 H new ATOM 492 N ALA B 737 4.291 -5.182 -10.217 1.00 0.00 N ATOM 493 CA ALA B 737 4.477 -3.778 -10.557 1.00 0.00 C ATOM 494 C ALA B 737 5.943 -3.383 -10.441 1.00 0.00 C ATOM 495 O ALA B 737 6.273 -2.198 -10.418 1.00 0.00 O ATOM 496 CB ALA B 737 3.632 -2.901 -9.631 1.00 0.00 C ATOM 0 H ALA B 737 3.798 -5.347 -9.339 1.00 0.00 H new ATOM 0 HA ALA B 737 4.158 -3.630 -11.589 1.00 0.00 H new ATOM 0 HB1 ALA B 737 3.776 -1.852 -9.891 1.00 0.00 H new ATOM 0 HB2 ALA B 737 2.580 -3.161 -9.744 1.00 0.00 H new ATOM 0 HB3 ALA B 737 3.937 -3.064 -8.597 1.00 0.00 H new ATOM 502 N LYS B 738 6.816 -4.382 -10.366 1.00 0.00 N ATOM 503 CA LYS B 738 8.255 -4.130 -10.246 1.00 0.00 C ATOM 504 C LYS B 738 8.900 -4.015 -11.616 1.00 0.00 C ATOM 505 O LYS B 738 10.123 -4.046 -11.751 1.00 0.00 O ATOM 506 CB LYS B 738 8.922 -5.258 -9.446 1.00 0.00 C ATOM 507 CG LYS B 738 10.227 -4.757 -8.817 1.00 0.00 C ATOM 508 CD LYS B 738 10.822 -5.851 -7.931 1.00 0.00 C ATOM 509 CE LYS B 738 12.157 -5.368 -7.365 1.00 0.00 C ATOM 510 NZ LYS B 738 11.927 -4.168 -6.513 1.00 0.00 N ATOM 0 H LYS B 738 6.559 -5.369 -10.386 1.00 0.00 H new ATOM 0 HA LYS B 738 8.394 -3.186 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS B 738 8.246 -5.611 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS B 738 9.126 -6.106 -10.099 1.00 0.00 H new ATOM 0 HG2 LYS B 738 10.936 -4.481 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS B 738 10.037 -3.860 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS B 738 10.135 -6.092 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS B 738 10.967 -6.764 -8.508 1.00 0.00 H new ATOM 0 HE2 LYS B 738 12.624 -6.160 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS B 738 12.843 -5.125 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 738 12.742 -4.029 -5.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 738 11.810 -3.330 -7.118 1.00 0.00 H new ATOM 0 HZ3 LYS B 738 11.068 -4.306 -5.943 1.00 0.00 H new ATOM 524 N TRP B 739 8.064 -3.880 -12.626 1.00 0.00 N ATOM 525 CA TRP B 739 8.544 -3.758 -13.999 1.00 0.00 C ATOM 526 C TRP B 739 7.520 -3.059 -14.893 1.00 0.00 C ATOM 527 O TRP B 739 7.618 -3.107 -16.119 1.00 0.00 O ATOM 528 CB TRP B 739 8.855 -5.155 -14.565 1.00 0.00 C ATOM 529 CG TRP B 739 9.904 -5.051 -15.623 1.00 0.00 C ATOM 530 CD1 TRP B 739 11.133 -4.539 -15.425 1.00 0.00 C ATOM 531 CD2 TRP B 739 9.840 -5.448 -17.021 1.00 0.00 C ATOM 532 NE1 TRP B 739 11.840 -4.595 -16.614 1.00 0.00 N ATOM 533 CE2 TRP B 739 11.083 -5.150 -17.629 1.00 0.00 C ATOM 534 CE3 TRP B 739 8.837 -6.032 -17.812 1.00 0.00 C ATOM 535 CZ2 TRP B 739 11.320 -5.423 -18.978 1.00 0.00 C ATOM 536 CZ3 TRP B 739 9.071 -6.309 -19.168 1.00 0.00 C ATOM 537 CH2 TRP B 739 10.310 -6.004 -19.750 1.00 0.00 C ATOM 0 H TRP B 739 7.049 -3.851 -12.528 1.00 0.00 H new ATOM 0 HA TRP B 739 9.449 -3.151 -13.985 1.00 0.00 H new ATOM 0 HB2 TRP B 739 9.196 -5.813 -13.766 1.00 0.00 H new ATOM 0 HB3 TRP B 739 7.950 -5.599 -14.980 1.00 0.00 H new ATOM 0 HD1 TRP B 739 11.507 -4.148 -14.490 1.00 0.00 H new ATOM 0 HE1 TRP B 739 12.799 -4.268 -16.727 1.00 0.00 H new ATOM 0 HE3 TRP B 739 7.879 -6.270 -17.374 1.00 0.00 H new ATOM 0 HZ2 TRP B 739 12.276 -5.187 -19.421 1.00 0.00 H new ATOM 0 HZ3 TRP B 739 8.293 -6.759 -19.766 1.00 0.00 H new ATOM 0 HH2 TRP B 739 10.484 -6.218 -20.794 1.00 0.00 H new ATOM 548 N ASP B 740 6.541 -2.415 -14.273 1.00 0.00 N ATOM 549 CA ASP B 740 5.500 -1.705 -14.999 1.00 0.00 C ATOM 550 C ASP B 740 5.796 -0.214 -15.018 1.00 0.00 C ATOM 551 O ASP B 740 6.833 0.235 -14.530 1.00 0.00 O ATOM 552 CB ASP B 740 4.144 -1.957 -14.339 1.00 0.00 C ATOM 553 CG ASP B 740 3.688 -3.387 -14.615 1.00 0.00 C ATOM 554 OD1 ASP B 740 4.269 -4.017 -15.484 1.00 0.00 O ATOM 555 OD2 ASP B 740 2.764 -3.830 -13.954 1.00 0.00 O ATOM 0 H ASP B 740 6.447 -2.371 -13.258 1.00 0.00 H new ATOM 0 HA ASP B 740 5.474 -2.071 -16.025 1.00 0.00 H new ATOM 0 HB2 ASP B 740 4.217 -1.791 -13.264 1.00 0.00 H new ATOM 0 HB3 ASP B 740 3.407 -1.251 -14.722 1.00 0.00 H new ATOM 560 N THR B 741 4.878 0.545 -15.592 1.00 0.00 N ATOM 561 CA THR B 741 5.039 1.994 -15.683 1.00 0.00 C ATOM 562 C THR B 741 5.510 2.568 -14.350 1.00 0.00 C ATOM 563 O THR B 741 5.963 3.710 -14.277 1.00 0.00 O ATOM 564 CB THR B 741 3.708 2.645 -16.079 1.00 0.00 C ATOM 565 OG1 THR B 741 2.649 2.030 -15.359 1.00 0.00 O ATOM 566 CG2 THR B 741 3.472 2.474 -17.582 1.00 0.00 C ATOM 0 H THR B 741 4.015 0.188 -16.002 1.00 0.00 H new ATOM 0 HA THR B 741 5.790 2.209 -16.443 1.00 0.00 H new ATOM 0 HB THR B 741 3.743 3.708 -15.841 1.00 0.00 H new ATOM 0 HG1 THR B 741 1.798 2.446 -15.610 1.00 0.00 H new ATOM 0 HG21 THR B 741 2.525 2.939 -17.857 1.00 0.00 H new ATOM 0 HG22 THR B 741 4.283 2.949 -18.134 1.00 0.00 H new ATOM 0 HG23 THR B 741 3.440 1.412 -17.827 1.00 0.00 H new ATOM 574 N ALA B 742 5.398 1.767 -13.300 1.00 0.00 N ATOM 575 CA ALA B 742 5.812 2.201 -11.972 1.00 0.00 C ATOM 576 C ALA B 742 7.286 2.576 -11.966 1.00 0.00 C ATOM 577 O ALA B 742 7.723 3.408 -11.171 1.00 0.00 O ATOM 578 CB ALA B 742 5.563 1.087 -10.954 1.00 0.00 C ATOM 0 H ALA B 742 5.026 0.818 -13.340 1.00 0.00 H new ATOM 0 HA ALA B 742 5.225 3.078 -11.700 1.00 0.00 H new ATOM 0 HB1 ALA B 742 5.876 1.421 -9.965 1.00 0.00 H new ATOM 0 HB2 ALA B 742 4.501 0.842 -10.935 1.00 0.00 H new ATOM 0 HB3 ALA B 742 6.134 0.203 -11.235 1.00 0.00 H new ATOM 584 N ASN B 743 8.050 1.963 -12.860 1.00 0.00 N ATOM 585 CA ASN B 743 9.476 2.241 -12.958 1.00 0.00 C ATOM 586 C ASN B 743 9.722 3.351 -13.968 1.00 0.00 C ATOM 587 O ASN B 743 10.867 3.701 -14.251 1.00 0.00 O ATOM 588 CB ASN B 743 10.220 0.980 -13.399 1.00 0.00 C ATOM 589 CG ASN B 743 10.212 -0.052 -12.284 1.00 0.00 C ATOM 590 OD1 ASN B 743 9.755 0.277 -11.113 1.00 0.00 O flip ATOM 591 ND2 ASN B 743 10.626 -1.191 -12.489 1.00 0.00 N flip ATOM 0 H ASN B 743 7.707 1.271 -13.526 1.00 0.00 H new ATOM 0 HA ASN B 743 9.841 2.556 -11.981 1.00 0.00 H new ATOM 0 HB2 ASN B 743 9.751 0.566 -14.291 1.00 0.00 H new ATOM 0 HB3 ASN B 743 11.247 1.230 -13.666 1.00 0.00 H new ATOM 0 HD21 ASN B 743 10.984 -1.446 -13.410 1.00 0.00 H new ATOM 0 HD22 ASN B 743 10.612 -1.882 -11.739 1.00 0.00 H new ATOM 598 N ASN B 744 8.639 3.902 -14.514 1.00 0.00 N ATOM 599 CA ASN B 744 8.762 4.968 -15.495 1.00 0.00 C ATOM 600 C ASN B 744 9.074 6.305 -14.800 1.00 0.00 C ATOM 601 O ASN B 744 8.443 6.643 -13.799 1.00 0.00 O ATOM 602 CB ASN B 744 7.465 5.103 -16.301 1.00 0.00 C ATOM 603 CG ASN B 744 7.732 5.882 -17.588 1.00 0.00 C ATOM 604 OD1 ASN B 744 7.270 7.014 -17.739 1.00 0.00 O ATOM 605 ND2 ASN B 744 8.468 5.345 -18.527 1.00 0.00 N ATOM 0 H ASN B 744 7.681 3.630 -14.295 1.00 0.00 H new ATOM 0 HA ASN B 744 9.580 4.717 -16.170 1.00 0.00 H new ATOM 0 HB2 ASN B 744 7.070 4.115 -16.539 1.00 0.00 H new ATOM 0 HB3 ASN B 744 6.708 5.615 -15.706 1.00 0.00 H new ATOM 0 HD21 ASN B 744 8.659 5.864 -19.384 1.00 0.00 H new ATOM 0 HD22 ASN B 744 8.850 4.408 -18.402 1.00 0.00 H new ATOM 612 N PRO B 745 10.010 7.072 -15.308 1.00 0.00 N ATOM 613 CA PRO B 745 10.373 8.392 -14.720 1.00 0.00 C ATOM 614 C PRO B 745 9.153 9.232 -14.374 1.00 0.00 C ATOM 615 O PRO B 745 9.141 9.965 -13.386 1.00 0.00 O ATOM 616 CB PRO B 745 11.204 9.064 -15.826 1.00 0.00 C ATOM 617 CG PRO B 745 11.783 7.944 -16.632 1.00 0.00 C ATOM 618 CD PRO B 745 10.834 6.753 -16.482 1.00 0.00 C ATOM 0 HA PRO B 745 10.910 8.282 -13.778 1.00 0.00 H new ATOM 0 HB2 PRO B 745 10.582 9.711 -16.445 1.00 0.00 H new ATOM 0 HB3 PRO B 745 11.990 9.688 -15.401 1.00 0.00 H new ATOM 0 HG2 PRO B 745 11.880 8.231 -17.679 1.00 0.00 H new ATOM 0 HG3 PRO B 745 12.782 7.689 -16.278 1.00 0.00 H new ATOM 0 HD2 PRO B 745 10.219 6.623 -17.373 1.00 0.00 H new ATOM 0 HD3 PRO B 745 11.386 5.824 -16.337 1.00 0.00 H new ATOM 626 N LEU B 746 8.138 9.115 -15.195 1.00 0.00 N ATOM 627 CA LEU B 746 6.910 9.868 -14.979 1.00 0.00 C ATOM 628 C LEU B 746 6.262 9.454 -13.664 1.00 0.00 C ATOM 629 O LEU B 746 5.667 10.274 -12.964 1.00 0.00 O ATOM 630 CB LEU B 746 5.938 9.636 -16.144 1.00 0.00 C ATOM 631 CG LEU B 746 6.317 10.538 -17.333 1.00 0.00 C ATOM 632 CD1 LEU B 746 6.046 12.030 -17.010 1.00 0.00 C ATOM 633 CD2 LEU B 746 7.804 10.329 -17.655 1.00 0.00 C ATOM 0 H LEU B 746 8.130 8.511 -16.017 1.00 0.00 H new ATOM 0 HA LEU B 746 7.153 10.929 -14.929 1.00 0.00 H new ATOM 0 HB2 LEU B 746 5.965 8.590 -16.448 1.00 0.00 H new ATOM 0 HB3 LEU B 746 4.918 9.850 -15.825 1.00 0.00 H new ATOM 0 HG LEU B 746 5.705 10.269 -18.194 1.00 0.00 H new ATOM 0 HD11 LEU B 746 6.323 12.644 -17.867 1.00 0.00 H new ATOM 0 HD12 LEU B 746 4.987 12.168 -16.791 1.00 0.00 H new ATOM 0 HD13 LEU B 746 6.637 12.328 -16.144 1.00 0.00 H new ATOM 0 HD21 LEU B 746 8.087 10.962 -18.496 1.00 0.00 H new ATOM 0 HD22 LEU B 746 8.405 10.592 -16.785 1.00 0.00 H new ATOM 0 HD23 LEU B 746 7.977 9.284 -17.913 1.00 0.00 H new ATOM 645 N TYR B 747 6.371 8.176 -13.342 1.00 0.00 N ATOM 646 CA TYR B 747 5.782 7.662 -12.112 1.00 0.00 C ATOM 647 C TYR B 747 6.437 8.299 -10.894 1.00 0.00 C ATOM 648 O TYR B 747 5.765 8.680 -9.936 1.00 0.00 O ATOM 649 CB TYR B 747 5.945 6.148 -12.054 1.00 0.00 C ATOM 650 CG TYR B 747 5.246 5.611 -10.826 1.00 0.00 C ATOM 651 CD1 TYR B 747 3.861 5.399 -10.845 1.00 0.00 C ATOM 652 CD2 TYR B 747 5.981 5.329 -9.671 1.00 0.00 C ATOM 653 CE1 TYR B 747 3.213 4.903 -9.707 1.00 0.00 C ATOM 654 CE2 TYR B 747 5.333 4.833 -8.532 1.00 0.00 C ATOM 655 CZ TYR B 747 3.950 4.620 -8.551 1.00 0.00 C ATOM 656 OH TYR B 747 3.312 4.131 -7.428 1.00 0.00 O ATOM 0 H TYR B 747 6.856 7.479 -13.907 1.00 0.00 H new ATOM 0 HA TYR B 747 4.721 7.913 -12.105 1.00 0.00 H new ATOM 0 HB2 TYR B 747 5.527 5.692 -12.952 1.00 0.00 H new ATOM 0 HB3 TYR B 747 7.003 5.886 -12.027 1.00 0.00 H new ATOM 0 HD1 TYR B 747 3.293 5.618 -11.737 1.00 0.00 H new ATOM 0 HD2 TYR B 747 7.048 5.493 -9.657 1.00 0.00 H new ATOM 0 HE1 TYR B 747 2.146 4.739 -9.721 1.00 0.00 H new ATOM 0 HE2 TYR B 747 5.901 4.615 -7.640 1.00 0.00 H new ATOM 0 HH TYR B 747 3.969 3.987 -6.715 1.00 0.00 H new ATOM 666 N LYS B 748 7.757 8.400 -10.943 1.00 0.00 N ATOM 667 CA LYS B 748 8.517 8.983 -9.838 1.00 0.00 C ATOM 668 C LYS B 748 8.093 10.428 -9.612 1.00 0.00 C ATOM 669 O LYS B 748 7.994 10.890 -8.477 1.00 0.00 O ATOM 670 CB LYS B 748 10.016 8.937 -10.143 1.00 0.00 C ATOM 671 CG LYS B 748 10.464 7.482 -10.246 1.00 0.00 C ATOM 672 CD LYS B 748 11.964 7.424 -10.553 1.00 0.00 C ATOM 673 CE LYS B 748 12.397 5.967 -10.726 1.00 0.00 C ATOM 674 NZ LYS B 748 12.252 5.248 -9.429 1.00 0.00 N ATOM 0 H LYS B 748 8.326 8.089 -11.731 1.00 0.00 H new ATOM 0 HA LYS B 748 8.315 8.402 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS B 748 10.226 9.461 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS B 748 10.575 9.447 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS B 748 10.254 6.960 -9.313 1.00 0.00 H new ATOM 0 HG3 LYS B 748 9.903 6.973 -11.030 1.00 0.00 H new ATOM 0 HD2 LYS B 748 12.182 7.989 -11.460 1.00 0.00 H new ATOM 0 HD3 LYS B 748 12.529 7.888 -9.745 1.00 0.00 H new ATOM 0 HE2 LYS B 748 11.789 5.484 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS B 748 13.432 5.922 -11.065 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 12.801 4.365 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 12.605 5.849 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 11.249 5.027 -9.265 1.00 0.00 H new ATOM 688 N GLU B 749 7.846 11.138 -10.704 1.00 0.00 N ATOM 689 CA GLU B 749 7.436 12.537 -10.616 1.00 0.00 C ATOM 690 C GLU B 749 6.166 12.668 -9.781 1.00 0.00 C ATOM 691 O GLU B 749 5.962 13.668 -9.093 1.00 0.00 O ATOM 692 CB GLU B 749 7.188 13.104 -12.016 1.00 0.00 C ATOM 693 CG GLU B 749 6.883 14.602 -11.919 1.00 0.00 C ATOM 694 CD GLU B 749 6.697 15.188 -13.315 1.00 0.00 C ATOM 695 OE1 GLU B 749 6.581 14.414 -14.250 1.00 0.00 O ATOM 696 OE2 GLU B 749 6.672 16.403 -13.428 1.00 0.00 O ATOM 0 H GLU B 749 7.921 10.775 -11.654 1.00 0.00 H new ATOM 0 HA GLU B 749 8.237 13.100 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU B 749 8.063 12.941 -12.645 1.00 0.00 H new ATOM 0 HB3 GLU B 749 6.355 12.583 -12.488 1.00 0.00 H new ATOM 0 HG2 GLU B 749 5.982 14.760 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU B 749 7.697 15.115 -11.406 1.00 0.00 H new ATOM 703 N ALA B 750 5.316 11.653 -9.849 1.00 0.00 N ATOM 704 CA ALA B 750 4.067 11.661 -9.095 1.00 0.00 C ATOM 705 C ALA B 750 4.337 11.645 -7.591 1.00 0.00 C ATOM 706 O ALA B 750 3.664 12.336 -6.826 1.00 0.00 O ATOM 707 CB ALA B 750 3.219 10.445 -9.471 1.00 0.00 C ATOM 0 H ALA B 750 5.466 10.817 -10.415 1.00 0.00 H new ATOM 0 HA ALA B 750 3.528 12.575 -9.345 1.00 0.00 H new ATOM 0 HB1 ALA B 750 2.289 10.460 -8.903 1.00 0.00 H new ATOM 0 HB2 ALA B 750 2.993 10.474 -10.537 1.00 0.00 H new ATOM 0 HB3 ALA B 750 3.769 9.533 -9.242 1.00 0.00 H new ATOM 713 N THR B 751 5.327 10.859 -7.175 1.00 0.00 N ATOM 714 CA THR B 751 5.676 10.757 -5.767 1.00 0.00 C ATOM 715 C THR B 751 6.147 12.106 -5.237 1.00 0.00 C ATOM 716 O THR B 751 5.910 12.444 -4.077 1.00 0.00 O ATOM 717 CB THR B 751 6.781 9.716 -5.584 1.00 0.00 C ATOM 718 OG1 THR B 751 7.956 10.146 -6.253 1.00 0.00 O ATOM 719 CG2 THR B 751 6.328 8.374 -6.164 1.00 0.00 C ATOM 0 H THR B 751 5.899 10.285 -7.795 1.00 0.00 H new ATOM 0 HA THR B 751 4.792 10.450 -5.208 1.00 0.00 H new ATOM 0 HB THR B 751 6.990 9.599 -4.521 1.00 0.00 H new ATOM 0 HG1 THR B 751 7.815 10.104 -7.222 1.00 0.00 H new ATOM 0 HG21 THR B 751 7.118 7.635 -6.032 1.00 0.00 H new ATOM 0 HG22 THR B 751 5.428 8.040 -5.648 1.00 0.00 H new ATOM 0 HG23 THR B 751 6.114 8.490 -7.227 1.00 0.00 H new ATOM 727 N SER B 752 6.820 12.871 -6.089 1.00 0.00 N ATOM 728 CA SER B 752 7.322 14.177 -5.685 1.00 0.00 C ATOM 729 C SER B 752 6.178 15.048 -5.180 1.00 0.00 C ATOM 730 O SER B 752 6.306 15.730 -4.163 1.00 0.00 O ATOM 731 CB SER B 752 8.006 14.860 -6.872 1.00 0.00 C ATOM 732 OG SER B 752 8.514 16.121 -6.460 1.00 0.00 O ATOM 0 H SER B 752 7.029 12.613 -7.053 1.00 0.00 H new ATOM 0 HA SER B 752 8.045 14.042 -4.881 1.00 0.00 H new ATOM 0 HB2 SER B 752 8.815 14.235 -7.249 1.00 0.00 H new ATOM 0 HB3 SER B 752 7.297 14.990 -7.689 1.00 0.00 H new ATOM 0 HG SER B 752 8.954 16.560 -7.218 1.00 0.00 H new ATOM 738 N THR B 753 5.060 15.014 -5.891 1.00 0.00 N ATOM 739 CA THR B 753 3.894 15.800 -5.501 1.00 0.00 C ATOM 740 C THR B 753 3.356 15.327 -4.154 1.00 0.00 C ATOM 741 O THR B 753 3.064 16.137 -3.275 1.00 0.00 O ATOM 742 CB THR B 753 2.800 15.689 -6.566 1.00 0.00 C ATOM 743 OG1 THR B 753 3.291 16.200 -7.798 1.00 0.00 O ATOM 744 CG2 THR B 753 1.575 16.496 -6.129 1.00 0.00 C ATOM 0 H THR B 753 4.934 14.456 -6.735 1.00 0.00 H new ATOM 0 HA THR B 753 4.198 16.843 -5.410 1.00 0.00 H new ATOM 0 HB THR B 753 2.517 14.644 -6.691 1.00 0.00 H new ATOM 0 HG1 THR B 753 2.594 16.129 -8.483 1.00 0.00 H new ATOM 0 HG21 THR B 753 0.797 16.416 -6.888 1.00 0.00 H new ATOM 0 HG22 THR B 753 1.200 16.105 -5.183 1.00 0.00 H new ATOM 0 HG23 THR B 753 1.854 17.542 -6.004 1.00 0.00 H new ATOM 752 N PHE B 754 3.239 14.014 -3.997 1.00 0.00 N ATOM 753 CA PHE B 754 2.751 13.434 -2.757 1.00 0.00 C ATOM 754 C PHE B 754 3.716 13.724 -1.622 1.00 0.00 C ATOM 755 O PHE B 754 3.302 13.950 -0.496 1.00 0.00 O ATOM 756 CB PHE B 754 2.583 11.920 -2.926 1.00 0.00 C ATOM 757 CG PHE B 754 1.352 11.628 -3.758 1.00 0.00 C ATOM 758 CD1 PHE B 754 0.078 11.889 -3.237 1.00 0.00 C ATOM 759 CD2 PHE B 754 1.483 11.102 -5.050 1.00 0.00 C ATOM 760 CE1 PHE B 754 -1.062 11.622 -4.005 1.00 0.00 C ATOM 761 CE2 PHE B 754 0.343 10.836 -5.817 1.00 0.00 C ATOM 762 CZ PHE B 754 -0.929 11.097 -5.295 1.00 0.00 C ATOM 0 H PHE B 754 3.477 13.331 -4.716 1.00 0.00 H new ATOM 0 HA PHE B 754 1.786 13.879 -2.516 1.00 0.00 H new ATOM 0 HB2 PHE B 754 3.466 11.499 -3.407 1.00 0.00 H new ATOM 0 HB3 PHE B 754 2.494 11.444 -1.950 1.00 0.00 H new ATOM 0 HD1 PHE B 754 -0.025 12.296 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE B 754 2.464 10.902 -5.454 1.00 0.00 H new ATOM 0 HE1 PHE B 754 -2.044 11.821 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE B 754 0.445 10.429 -6.812 1.00 0.00 H new ATOM 0 HZ PHE B 754 -1.808 10.893 -5.888 1.00 0.00 H new ATOM 772 N THR B 755 5.002 13.722 -1.923 1.00 0.00 N ATOM 773 CA THR B 755 6.005 13.986 -0.902 1.00 0.00 C ATOM 774 C THR B 755 5.760 15.339 -0.249 1.00 0.00 C ATOM 775 O THR B 755 5.913 15.488 0.962 1.00 0.00 O ATOM 776 CB THR B 755 7.400 13.957 -1.521 1.00 0.00 C ATOM 777 OG1 THR B 755 7.526 12.802 -2.338 1.00 0.00 O ATOM 778 CG2 THR B 755 8.455 13.919 -0.414 1.00 0.00 C ATOM 0 H THR B 755 5.376 13.543 -2.855 1.00 0.00 H new ATOM 0 HA THR B 755 5.933 13.211 -0.139 1.00 0.00 H new ATOM 0 HB THR B 755 7.548 14.851 -2.126 1.00 0.00 H new ATOM 0 HG1 THR B 755 7.137 12.981 -3.220 1.00 0.00 H new ATOM 0 HG21 THR B 755 9.449 13.898 -0.860 1.00 0.00 H new ATOM 0 HG22 THR B 755 8.357 14.805 0.213 1.00 0.00 H new ATOM 0 HG23 THR B 755 8.312 13.026 0.195 1.00 0.00 H new ATOM 786 N ASN B 756 5.391 16.320 -1.056 1.00 0.00 N ATOM 787 CA ASN B 756 5.135 17.661 -0.543 1.00 0.00 C ATOM 788 C ASN B 756 3.961 17.660 0.434 1.00 0.00 C ATOM 789 O ASN B 756 4.021 18.296 1.485 1.00 0.00 O ATOM 790 CB ASN B 756 4.818 18.610 -1.701 1.00 0.00 C ATOM 791 CG ASN B 756 4.533 20.013 -1.168 1.00 0.00 C ATOM 792 OD1 ASN B 756 4.411 20.208 0.042 1.00 0.00 O ATOM 793 ND2 ASN B 756 4.417 21.008 -2.005 1.00 0.00 N ATOM 0 H ASN B 756 5.262 16.217 -2.063 1.00 0.00 H new ATOM 0 HA ASN B 756 6.030 17.997 -0.019 1.00 0.00 H new ATOM 0 HB2 ASN B 756 5.657 18.640 -2.396 1.00 0.00 H new ATOM 0 HB3 ASN B 756 3.956 18.242 -2.257 1.00 0.00 H new ATOM 0 HD21 ASN B 756 4.225 21.947 -1.657 1.00 0.00 H new ATOM 0 HD22 ASN B 756 4.518 20.846 -3.007 1.00 0.00 H new ATOM 800 N ILE B 757 2.887 16.951 0.078 1.00 0.00 N ATOM 801 CA ILE B 757 1.700 16.901 0.936 1.00 0.00 C ATOM 802 C ILE B 757 1.824 15.785 1.967 1.00 0.00 C ATOM 803 O ILE B 757 1.643 15.998 3.165 1.00 0.00 O ATOM 804 CB ILE B 757 0.447 16.666 0.076 1.00 0.00 C ATOM 805 CG1 ILE B 757 0.620 17.379 -1.268 1.00 0.00 C ATOM 806 CG2 ILE B 757 -0.788 17.222 0.801 1.00 0.00 C ATOM 807 CD1 ILE B 757 -0.710 17.390 -2.031 1.00 0.00 C ATOM 0 H ILE B 757 2.814 16.411 -0.784 1.00 0.00 H new ATOM 0 HA ILE B 757 1.614 17.853 1.460 1.00 0.00 H new ATOM 0 HB ILE B 757 0.312 15.597 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE B 757 0.964 18.400 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE B 757 1.384 16.876 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE B 757 -1.675 17.054 0.190 1.00 0.00 H new ATOM 0 HG22 ILE B 757 -0.906 16.715 1.759 1.00 0.00 H new ATOM 0 HG23 ILE B 757 -0.660 18.291 0.970 1.00 0.00 H new ATOM 0 HD11 ILE B 757 -0.578 17.899 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE B 757 -1.036 16.365 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE B 757 -1.463 17.914 -1.442 1.00 0.00 H new ATOM 819 N THR B 758 2.139 14.600 1.482 1.00 0.00 N ATOM 820 CA THR B 758 2.294 13.438 2.352 1.00 0.00 C ATOM 821 C THR B 758 3.439 13.660 3.333 1.00 0.00 C ATOM 822 O THR B 758 3.791 12.769 4.103 1.00 0.00 O ATOM 823 CB THR B 758 2.561 12.174 1.522 1.00 0.00 C ATOM 824 OG1 THR B 758 1.548 12.033 0.536 1.00 0.00 O ATOM 825 CG2 THR B 758 2.562 10.930 2.424 1.00 0.00 C ATOM 0 H THR B 758 2.294 14.411 0.492 1.00 0.00 H new ATOM 0 HA THR B 758 1.367 13.304 2.910 1.00 0.00 H new ATOM 0 HB THR B 758 3.536 12.268 1.045 1.00 0.00 H new ATOM 0 HG1 THR B 758 1.746 12.621 -0.222 1.00 0.00 H new ATOM 0 HG21 THR B 758 2.753 10.043 1.820 1.00 0.00 H new ATOM 0 HG22 THR B 758 3.341 11.029 3.180 1.00 0.00 H new ATOM 0 HG23 THR B 758 1.593 10.834 2.913 1.00 0.00 H new ATOM 833 N TYR B 759 4.020 14.854 3.297 1.00 0.00 N ATOM 834 CA TYR B 759 5.127 15.172 4.186 1.00 0.00 C ATOM 835 C TYR B 759 4.711 15.004 5.644 1.00 0.00 C ATOM 836 O TYR B 759 5.445 14.429 6.449 1.00 0.00 O ATOM 837 CB TYR B 759 5.585 16.614 3.946 1.00 0.00 C ATOM 838 CG TYR B 759 6.671 16.972 4.931 1.00 0.00 C ATOM 839 CD1 TYR B 759 7.981 16.523 4.720 1.00 0.00 C ATOM 840 CD2 TYR B 759 6.372 17.752 6.054 1.00 0.00 C ATOM 841 CE1 TYR B 759 8.989 16.853 5.632 1.00 0.00 C ATOM 842 CE2 TYR B 759 7.378 18.082 6.966 1.00 0.00 C ATOM 843 CZ TYR B 759 8.688 17.632 6.755 1.00 0.00 C ATOM 844 OH TYR B 759 9.682 17.958 7.655 1.00 0.00 O ATOM 0 H TYR B 759 3.746 15.609 2.669 1.00 0.00 H new ATOM 0 HA TYR B 759 5.948 14.487 3.976 1.00 0.00 H new ATOM 0 HB2 TYR B 759 5.955 16.724 2.926 1.00 0.00 H new ATOM 0 HB3 TYR B 759 4.742 17.297 4.055 1.00 0.00 H new ATOM 0 HD1 TYR B 759 8.213 15.922 3.853 1.00 0.00 H new ATOM 0 HD2 TYR B 759 5.362 18.099 6.216 1.00 0.00 H new ATOM 0 HE1 TYR B 759 9.999 16.507 5.470 1.00 0.00 H new ATOM 0 HE2 TYR B 759 7.146 18.683 7.833 1.00 0.00 H new ATOM 0 HH TYR B 759 9.304 18.504 8.376 1.00 0.00 H new ATOM 854 N ARG B 760 3.533 15.513 5.973 1.00 0.00 N ATOM 855 CA ARG B 760 3.019 15.425 7.332 1.00 0.00 C ATOM 856 C ARG B 760 1.523 15.706 7.367 1.00 0.00 C ATOM 857 O ARG B 760 1.061 16.751 6.907 1.00 0.00 O ATOM 858 CB ARG B 760 3.759 16.415 8.233 1.00 0.00 C ATOM 859 CG ARG B 760 3.127 16.400 9.627 1.00 0.00 C ATOM 860 CD ARG B 760 4.089 17.028 10.637 1.00 0.00 C ATOM 861 NE ARG B 760 5.312 16.233 10.722 1.00 0.00 N ATOM 862 CZ ARG B 760 5.300 15.000 11.224 1.00 0.00 C ATOM 863 NH1 ARG B 760 4.182 14.473 11.645 1.00 0.00 N ATOM 864 NH2 ARG B 760 6.407 14.309 11.284 1.00 0.00 N ATOM 0 H ARG B 760 2.915 15.991 5.318 1.00 0.00 H new ATOM 0 HA ARG B 760 3.184 14.411 7.697 1.00 0.00 H new ATOM 0 HB2 ARG B 760 4.814 16.148 8.297 1.00 0.00 H new ATOM 0 HB3 ARG B 760 3.709 17.418 7.809 1.00 0.00 H new ATOM 0 HG2 ARG B 760 2.186 16.950 9.616 1.00 0.00 H new ATOM 0 HG3 ARG B 760 2.894 15.376 9.920 1.00 0.00 H new ATOM 0 HD2 ARG B 760 4.329 18.048 10.338 1.00 0.00 H new ATOM 0 HD3 ARG B 760 3.614 17.086 11.616 1.00 0.00 H new ATOM 0 HE ARG B 760 6.191 16.630 10.391 1.00 0.00 H new ATOM 0 HH11 ARG B 760 3.314 15.006 11.590 1.00 0.00 H new ATOM 0 HH12 ARG B 760 4.176 13.528 12.029 1.00 0.00 H new ATOM 0 HH21 ARG B 760 7.280 14.714 10.946 1.00 0.00 H new ATOM 0 HH22 ARG B 760 6.398 13.364 11.669 1.00 0.00 H new ATOM 878 N GLY B 761 0.775 14.766 7.922 1.00 0.00 N ATOM 879 CA GLY B 761 -0.670 14.910 8.027 1.00 0.00 C ATOM 880 C GLY B 761 -1.038 16.089 8.922 1.00 0.00 C ATOM 881 O GLY B 761 -1.971 16.838 8.629 1.00 0.00 O ATOM 0 H GLY B 761 1.143 13.896 8.307 1.00 0.00 H new ATOM 0 HA2 GLY B 761 -1.098 15.055 7.035 1.00 0.00 H new ATOM 0 HA3 GLY B 761 -1.102 13.994 8.430 1.00 0.00 H new ATOM 885 N THR B 762 -0.296 16.250 10.014 1.00 0.00 N ATOM 886 CA THR B 762 -0.547 17.343 10.950 1.00 0.00 C ATOM 887 C THR B 762 0.157 18.614 10.487 1.00 0.00 C ATOM 888 O THR B 762 -0.349 19.252 9.579 1.00 0.00 O ATOM 889 CB THR B 762 -0.049 16.960 12.345 1.00 0.00 C ATOM 890 OG1 THR B 762 1.363 16.808 12.317 1.00 0.00 O ATOM 891 CG2 THR B 762 -0.698 15.643 12.777 1.00 0.00 C ATOM 892 OXT THR B 762 1.193 18.931 11.048 1.00 0.00 O ATOM 0 H THR B 762 0.480 15.641 10.272 1.00 0.00 H new ATOM 0 HA THR B 762 -1.621 17.528 10.986 1.00 0.00 H new ATOM 0 HB THR B 762 -0.316 17.743 13.054 1.00 0.00 H new ATOM 0 HG1 THR B 762 1.783 17.682 12.174 1.00 0.00 H new ATOM 0 HG21 THR B 762 -0.343 15.371 13.771 1.00 0.00 H new ATOM 0 HG22 THR B 762 -1.781 15.761 12.799 1.00 0.00 H new ATOM 0 HG23 THR B 762 -0.433 14.857 12.069 1.00 0.00 H new TER 900 THR B 762