USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 340 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 Set 1.1: A 719 SER OG : rot -110:sc= 0.0396 USER MOD Set 1.2: A 722 SER OG : rot -169:sc= -1.27 USER MOD Single : A 711 SER OG : rot 27:sc= 0.287 USER MOD Single : A 712 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00559) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 721 TYR OH : rot 180:sc= 0 USER MOD Single : A 724 TYR OH : rot 111:sc= 0.253 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.6!) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 732 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 HIS : no HD1:sc= -3.02 K(o=-3,f=-4.8!) USER MOD Single : A 743 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.072) USER MOD Single : A 746 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 750 ASN : amide:sc= 0 X(o=0,f=0.067) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 12.712 20.974 -50.488 1.00 0.00 N ATOM 2 CA SER A 711 13.643 21.497 -49.453 1.00 0.00 C ATOM 3 C SER A 711 14.171 20.372 -48.569 1.00 0.00 C ATOM 4 O SER A 711 13.485 19.910 -47.657 1.00 0.00 O ATOM 5 CB SER A 711 12.898 22.529 -48.605 1.00 0.00 C ATOM 6 OG SER A 711 12.210 23.460 -49.421 1.00 0.00 O ATOM 0 HA SER A 711 14.500 21.960 -49.942 1.00 0.00 H new ATOM 0 HB2 SER A 711 12.190 22.022 -47.950 1.00 0.00 H new ATOM 0 HB3 SER A 711 13.605 23.056 -47.964 1.00 0.00 H new ATOM 0 HG SER A 711 11.982 23.040 -50.276 1.00 0.00 H new ATOM 14 N LYS A 712 15.397 19.936 -48.845 1.00 0.00 N ATOM 15 CA LYS A 712 16.017 18.864 -48.074 1.00 0.00 C ATOM 16 C LYS A 712 16.648 19.408 -46.796 1.00 0.00 C ATOM 17 O LYS A 712 16.420 18.881 -45.707 1.00 0.00 O ATOM 18 CB LYS A 712 17.078 18.151 -48.915 1.00 0.00 C ATOM 19 CG LYS A 712 17.261 16.688 -48.549 1.00 0.00 C ATOM 20 CD LYS A 712 18.652 16.193 -48.912 1.00 0.00 C ATOM 21 CE LYS A 712 18.625 14.746 -49.378 1.00 0.00 C ATOM 22 NZ LYS A 712 18.215 13.819 -48.288 1.00 0.00 N ATOM 0 H LYS A 712 15.979 20.308 -49.595 1.00 0.00 H new ATOM 0 HA LYS A 712 15.240 18.151 -47.800 1.00 0.00 H new ATOM 0 HB2 LYS A 712 16.804 18.222 -49.968 1.00 0.00 H new ATOM 0 HB3 LYS A 712 18.030 18.668 -48.798 1.00 0.00 H new ATOM 0 HG2 LYS A 712 17.094 16.556 -47.480 1.00 0.00 H new ATOM 0 HG3 LYS A 712 16.513 16.086 -49.065 1.00 0.00 H new ATOM 0 HD2 LYS A 712 19.069 16.822 -49.699 1.00 0.00 H new ATOM 0 HD3 LYS A 712 19.309 16.286 -48.047 1.00 0.00 H new ATOM 0 HE2 LYS A 712 17.936 14.648 -50.217 1.00 0.00 H new ATOM 0 HE3 LYS A 712 19.613 14.464 -49.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 18.242 12.840 -48.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 18.867 13.918 -47.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 17.249 14.050 -47.981 1.00 0.00 H new ATOM 36 N LEU A 713 17.440 20.465 -46.937 1.00 0.00 N ATOM 37 CA LEU A 713 18.103 21.080 -45.793 1.00 0.00 C ATOM 38 C LEU A 713 17.441 22.405 -45.426 1.00 0.00 C ATOM 39 O LEU A 713 17.797 23.456 -45.958 1.00 0.00 O ATOM 40 CB LEU A 713 19.586 21.306 -46.097 1.00 0.00 C ATOM 41 CG LEU A 713 20.332 20.082 -46.628 1.00 0.00 C ATOM 42 CD1 LEU A 713 21.519 20.507 -47.478 1.00 0.00 C ATOM 43 CD2 LEU A 713 20.788 19.196 -45.478 1.00 0.00 C ATOM 0 H LEU A 713 17.638 20.914 -47.831 1.00 0.00 H new ATOM 0 HA LEU A 713 18.011 20.401 -44.945 1.00 0.00 H new ATOM 0 HB2 LEU A 713 19.673 22.110 -46.827 1.00 0.00 H new ATOM 0 HB3 LEU A 713 20.080 21.647 -45.187 1.00 0.00 H new ATOM 0 HG LEU A 713 19.650 19.508 -47.255 1.00 0.00 H new ATOM 0 HD11 LEU A 713 22.038 19.622 -47.847 1.00 0.00 H new ATOM 0 HD12 LEU A 713 21.168 21.100 -48.322 1.00 0.00 H new ATOM 0 HD13 LEU A 713 22.203 21.104 -46.875 1.00 0.00 H new ATOM 0 HD21 LEU A 713 21.317 18.329 -45.874 1.00 0.00 H new ATOM 0 HD22 LEU A 713 21.454 19.761 -44.825 1.00 0.00 H new ATOM 0 HD23 LEU A 713 19.920 18.862 -44.909 1.00 0.00 H new ATOM 55 N GLU A 714 16.473 22.345 -44.517 1.00 0.00 N ATOM 56 CA GLU A 714 15.760 23.539 -44.081 1.00 0.00 C ATOM 57 C GLU A 714 16.615 24.363 -43.122 1.00 0.00 C ATOM 58 O GLU A 714 16.797 25.565 -43.315 1.00 0.00 O ATOM 59 CB GLU A 714 14.444 23.153 -43.404 1.00 0.00 C ATOM 60 CG GLU A 714 13.274 23.042 -44.368 1.00 0.00 C ATOM 61 CD GLU A 714 12.971 21.608 -44.754 1.00 0.00 C ATOM 62 OE1 GLU A 714 13.928 20.827 -44.935 1.00 0.00 O ATOM 63 OE2 GLU A 714 11.775 21.265 -44.874 1.00 0.00 O ATOM 0 H GLU A 714 16.165 21.482 -44.069 1.00 0.00 H new ATOM 0 HA GLU A 714 15.545 24.145 -44.961 1.00 0.00 H new ATOM 0 HB2 GLU A 714 14.574 22.199 -42.892 1.00 0.00 H new ATOM 0 HB3 GLU A 714 14.206 23.894 -42.641 1.00 0.00 H new ATOM 0 HG2 GLU A 714 12.389 23.486 -43.912 1.00 0.00 H new ATOM 0 HG3 GLU A 714 13.493 23.618 -45.267 1.00 0.00 H new ATOM 70 N GLY A 715 17.136 23.708 -42.090 1.00 0.00 N ATOM 71 CA GLY A 715 17.964 24.396 -41.118 1.00 0.00 C ATOM 72 C GLY A 715 17.756 23.879 -39.708 1.00 0.00 C ATOM 73 O GLY A 715 17.825 22.674 -39.466 1.00 0.00 O ATOM 0 H GLY A 715 17.000 22.713 -41.910 1.00 0.00 H new ATOM 0 HA2 GLY A 715 19.013 24.281 -41.393 1.00 0.00 H new ATOM 0 HA3 GLY A 715 17.742 25.463 -41.147 1.00 0.00 H new ATOM 77 N SER A 716 17.502 24.790 -38.776 1.00 0.00 N ATOM 78 CA SER A 716 17.284 24.420 -37.383 1.00 0.00 C ATOM 79 C SER A 716 15.803 24.494 -37.026 1.00 0.00 C ATOM 80 O SER A 716 15.232 23.538 -36.502 1.00 0.00 O ATOM 81 CB SER A 716 18.090 25.334 -36.457 1.00 0.00 C ATOM 82 OG SER A 716 19.382 24.803 -36.216 1.00 0.00 O ATOM 0 H SER A 716 17.442 25.791 -38.960 1.00 0.00 H new ATOM 0 HA SER A 716 17.621 23.392 -37.250 1.00 0.00 H new ATOM 0 HB2 SER A 716 18.178 26.324 -36.904 1.00 0.00 H new ATOM 0 HB3 SER A 716 17.561 25.457 -35.512 1.00 0.00 H new ATOM 0 HG SER A 716 19.878 25.406 -35.623 1.00 0.00 H new ATOM 88 N GLU A 717 15.187 25.636 -37.312 1.00 0.00 N ATOM 89 CA GLU A 717 13.772 25.836 -37.022 1.00 0.00 C ATOM 90 C GLU A 717 13.500 25.700 -35.527 1.00 0.00 C ATOM 91 O GLU A 717 14.421 25.503 -34.733 1.00 0.00 O ATOM 92 CB GLU A 717 12.923 24.828 -37.798 1.00 0.00 C ATOM 93 CG GLU A 717 12.544 25.299 -39.193 1.00 0.00 C ATOM 94 CD GLU A 717 13.409 24.680 -40.272 1.00 0.00 C ATOM 95 OE1 GLU A 717 13.123 23.534 -40.678 1.00 0.00 O ATOM 96 OE2 GLU A 717 14.372 25.341 -40.714 1.00 0.00 O ATOM 0 H GLU A 717 15.646 26.438 -37.745 1.00 0.00 H new ATOM 0 HA GLU A 717 13.502 26.845 -37.334 1.00 0.00 H new ATOM 0 HB2 GLU A 717 13.470 23.889 -37.877 1.00 0.00 H new ATOM 0 HB3 GLU A 717 12.014 24.621 -37.234 1.00 0.00 H new ATOM 0 HG2 GLU A 717 11.499 25.053 -39.384 1.00 0.00 H new ATOM 0 HG3 GLU A 717 12.630 26.385 -39.242 1.00 0.00 H new ATOM 103 N ASP A 718 12.231 25.809 -35.149 1.00 0.00 N ATOM 104 CA ASP A 718 11.837 25.698 -33.749 1.00 0.00 C ATOM 105 C ASP A 718 10.561 24.875 -33.605 1.00 0.00 C ATOM 106 O ASP A 718 9.701 24.886 -34.485 1.00 0.00 O ATOM 107 CB ASP A 718 11.632 27.088 -33.144 1.00 0.00 C ATOM 108 CG ASP A 718 10.636 27.919 -33.930 1.00 0.00 C ATOM 109 OD1 ASP A 718 9.478 27.473 -34.080 1.00 0.00 O ATOM 110 OD2 ASP A 718 11.013 29.014 -34.397 1.00 0.00 O ATOM 0 H ASP A 718 11.457 25.974 -35.793 1.00 0.00 H new ATOM 0 HA ASP A 718 12.638 25.189 -33.212 1.00 0.00 H new ATOM 0 HB2 ASP A 718 11.285 26.986 -32.116 1.00 0.00 H new ATOM 0 HB3 ASP A 718 12.588 27.610 -33.107 1.00 0.00 H new ATOM 115 N SER A 719 10.448 24.160 -32.490 1.00 0.00 N ATOM 116 CA SER A 719 9.277 23.331 -32.231 1.00 0.00 C ATOM 117 C SER A 719 8.108 24.177 -31.740 1.00 0.00 C ATOM 118 O SER A 719 8.207 25.400 -31.655 1.00 0.00 O ATOM 119 CB SER A 719 9.609 22.250 -31.200 1.00 0.00 C ATOM 120 OG SER A 719 10.114 21.085 -31.827 1.00 0.00 O ATOM 0 H SER A 719 11.152 24.138 -31.753 1.00 0.00 H new ATOM 0 HA SER A 719 8.987 22.854 -33.167 1.00 0.00 H new ATOM 0 HB2 SER A 719 10.343 22.633 -30.491 1.00 0.00 H new ATOM 0 HB3 SER A 719 8.715 22.001 -30.629 1.00 0.00 H new ATOM 0 HG SER A 719 9.454 20.364 -31.757 1.00 0.00 H new ATOM 126 N LEU A 720 7.001 23.517 -31.416 1.00 0.00 N ATOM 127 CA LEU A 720 5.812 24.210 -30.932 1.00 0.00 C ATOM 128 C LEU A 720 5.915 24.487 -29.435 1.00 0.00 C ATOM 129 O LEU A 720 5.815 25.633 -28.998 1.00 0.00 O ATOM 130 CB LEU A 720 4.559 23.381 -31.224 1.00 0.00 C ATOM 131 CG LEU A 720 3.312 24.195 -31.578 1.00 0.00 C ATOM 132 CD1 LEU A 720 2.833 24.988 -30.373 1.00 0.00 C ATOM 133 CD2 LEU A 720 3.598 25.122 -32.750 1.00 0.00 C ATOM 0 H LEU A 720 6.902 22.504 -31.480 1.00 0.00 H new ATOM 0 HA LEU A 720 5.739 25.163 -31.455 1.00 0.00 H new ATOM 0 HB2 LEU A 720 4.776 22.700 -32.047 1.00 0.00 H new ATOM 0 HB3 LEU A 720 4.337 22.766 -30.352 1.00 0.00 H new ATOM 0 HG LEU A 720 2.520 23.505 -31.870 1.00 0.00 H new ATOM 0 HD11 LEU A 720 1.946 25.561 -30.643 1.00 0.00 H new ATOM 0 HD12 LEU A 720 2.589 24.304 -29.560 1.00 0.00 H new ATOM 0 HD13 LEU A 720 3.620 25.669 -30.050 1.00 0.00 H new ATOM 0 HD21 LEU A 720 2.701 25.694 -32.989 1.00 0.00 H new ATOM 0 HD22 LEU A 720 4.404 25.806 -32.485 1.00 0.00 H new ATOM 0 HD23 LEU A 720 3.894 24.532 -33.617 1.00 0.00 H new ATOM 145 N TYR A 721 6.114 23.430 -28.655 1.00 0.00 N ATOM 146 CA TYR A 721 6.230 23.560 -27.208 1.00 0.00 C ATOM 147 C TYR A 721 7.202 22.528 -26.645 1.00 0.00 C ATOM 148 O TYR A 721 7.048 22.069 -25.513 1.00 0.00 O ATOM 149 CB TYR A 721 4.860 23.399 -26.548 1.00 0.00 C ATOM 150 CG TYR A 721 4.037 24.668 -26.542 1.00 0.00 C ATOM 151 CD1 TYR A 721 4.485 25.806 -25.883 1.00 0.00 C ATOM 152 CD2 TYR A 721 2.812 24.728 -27.195 1.00 0.00 C ATOM 153 CE1 TYR A 721 3.737 26.967 -25.874 1.00 0.00 C ATOM 154 CE2 TYR A 721 2.059 25.887 -27.192 1.00 0.00 C ATOM 155 CZ TYR A 721 2.526 27.003 -26.530 1.00 0.00 C ATOM 156 OH TYR A 721 1.777 28.158 -26.524 1.00 0.00 O ATOM 0 H TYR A 721 6.198 22.474 -29.001 1.00 0.00 H new ATOM 0 HA TYR A 721 6.617 24.555 -26.988 1.00 0.00 H new ATOM 0 HB2 TYR A 721 4.305 22.619 -27.068 1.00 0.00 H new ATOM 0 HB3 TYR A 721 4.998 23.061 -25.521 1.00 0.00 H new ATOM 0 HD1 TYR A 721 5.434 25.782 -25.369 1.00 0.00 H new ATOM 0 HD2 TYR A 721 2.442 23.855 -27.713 1.00 0.00 H new ATOM 0 HE1 TYR A 721 4.100 27.842 -25.355 1.00 0.00 H new ATOM 0 HE2 TYR A 721 1.109 25.918 -27.706 1.00 0.00 H new ATOM 0 HH TYR A 721 0.952 28.015 -27.033 1.00 0.00 H new ATOM 166 N SER A 722 8.205 22.169 -27.441 1.00 0.00 N ATOM 167 CA SER A 722 9.203 21.191 -27.022 1.00 0.00 C ATOM 168 C SER A 722 9.883 21.621 -25.725 1.00 0.00 C ATOM 169 O SER A 722 10.392 20.787 -24.976 1.00 0.00 O ATOM 170 CB SER A 722 10.252 21.001 -28.120 1.00 0.00 C ATOM 171 OG SER A 722 9.708 20.309 -29.231 1.00 0.00 O ATOM 0 H SER A 722 8.348 22.541 -28.380 1.00 0.00 H new ATOM 0 HA SER A 722 8.692 20.245 -26.845 1.00 0.00 H new ATOM 0 HB2 SER A 722 10.627 21.973 -28.441 1.00 0.00 H new ATOM 0 HB3 SER A 722 11.102 20.446 -27.723 1.00 0.00 H new ATOM 0 HG SER A 722 10.431 20.047 -29.839 1.00 0.00 H new ATOM 177 N ASP A 723 9.885 22.925 -25.461 1.00 0.00 N ATOM 178 CA ASP A 723 10.502 23.456 -24.250 1.00 0.00 C ATOM 179 C ASP A 723 9.761 22.969 -23.009 1.00 0.00 C ATOM 180 O ASP A 723 10.350 22.345 -22.125 1.00 0.00 O ATOM 181 CB ASP A 723 10.512 24.985 -24.285 1.00 0.00 C ATOM 182 CG ASP A 723 11.329 25.532 -25.440 1.00 0.00 C ATOM 183 OD1 ASP A 723 10.810 25.556 -26.575 1.00 0.00 O ATOM 184 OD2 ASP A 723 12.488 25.936 -25.208 1.00 0.00 O ATOM 0 H ASP A 723 9.468 23.631 -26.067 1.00 0.00 H new ATOM 0 HA ASP A 723 11.530 23.095 -24.205 1.00 0.00 H new ATOM 0 HB2 ASP A 723 9.488 25.351 -24.363 1.00 0.00 H new ATOM 0 HB3 ASP A 723 10.916 25.365 -23.346 1.00 0.00 H new ATOM 189 N TYR A 724 8.466 23.255 -22.953 1.00 0.00 N ATOM 190 CA TYR A 724 7.637 22.846 -21.826 1.00 0.00 C ATOM 191 C TYR A 724 7.473 21.327 -21.802 1.00 0.00 C ATOM 192 O TYR A 724 7.342 20.723 -20.736 1.00 0.00 O ATOM 193 CB TYR A 724 6.267 23.532 -21.907 1.00 0.00 C ATOM 194 CG TYR A 724 5.150 22.760 -21.240 1.00 0.00 C ATOM 195 CD1 TYR A 724 4.510 21.722 -21.904 1.00 0.00 C ATOM 196 CD2 TYR A 724 4.739 23.067 -19.950 1.00 0.00 C ATOM 197 CE1 TYR A 724 3.492 21.010 -21.303 1.00 0.00 C ATOM 198 CE2 TYR A 724 3.722 22.359 -19.339 1.00 0.00 C ATOM 199 CZ TYR A 724 3.103 21.332 -20.019 1.00 0.00 C ATOM 200 OH TYR A 724 2.089 20.624 -19.414 1.00 0.00 O ATOM 0 H TYR A 724 7.966 23.770 -23.677 1.00 0.00 H new ATOM 0 HA TYR A 724 8.129 23.150 -20.902 1.00 0.00 H new ATOM 0 HB2 TYR A 724 6.338 24.518 -21.447 1.00 0.00 H new ATOM 0 HB3 TYR A 724 6.012 23.687 -22.955 1.00 0.00 H new ATOM 0 HD1 TYR A 724 4.814 21.467 -22.908 1.00 0.00 H new ATOM 0 HD2 TYR A 724 5.222 23.872 -19.416 1.00 0.00 H new ATOM 0 HE1 TYR A 724 3.003 20.206 -21.834 1.00 0.00 H new ATOM 0 HE2 TYR A 724 3.414 22.609 -18.334 1.00 0.00 H new ATOM 0 HH TYR A 724 2.459 20.077 -18.690 1.00 0.00 H new ATOM 210 N VAL A 725 7.480 20.719 -22.982 1.00 0.00 N ATOM 211 CA VAL A 725 7.330 19.274 -23.100 1.00 0.00 C ATOM 212 C VAL A 725 8.635 18.557 -22.765 1.00 0.00 C ATOM 213 O VAL A 725 8.626 17.441 -22.244 1.00 0.00 O ATOM 214 CB VAL A 725 6.876 18.880 -24.522 1.00 0.00 C ATOM 215 CG1 VAL A 725 6.888 17.369 -24.706 1.00 0.00 C ATOM 216 CG2 VAL A 725 5.492 19.448 -24.810 1.00 0.00 C ATOM 0 H VAL A 725 7.588 21.205 -23.872 1.00 0.00 H new ATOM 0 HA VAL A 725 6.566 18.967 -22.386 1.00 0.00 H new ATOM 0 HB VAL A 725 7.583 19.305 -25.234 1.00 0.00 H new ATOM 0 HG11 VAL A 725 6.564 17.123 -25.717 1.00 0.00 H new ATOM 0 HG12 VAL A 725 7.898 16.991 -24.547 1.00 0.00 H new ATOM 0 HG13 VAL A 725 6.211 16.909 -23.986 1.00 0.00 H new ATOM 0 HG21 VAL A 725 5.184 19.163 -25.816 1.00 0.00 H new ATOM 0 HG22 VAL A 725 4.779 19.053 -24.086 1.00 0.00 H new ATOM 0 HG23 VAL A 725 5.522 20.535 -24.734 1.00 0.00 H new ATOM 226 N ASP A 726 9.757 19.205 -23.061 1.00 0.00 N ATOM 227 CA ASP A 726 11.068 18.628 -22.787 1.00 0.00 C ATOM 228 C ASP A 726 11.233 18.336 -21.299 1.00 0.00 C ATOM 229 O ASP A 726 11.991 17.446 -20.912 1.00 0.00 O ATOM 230 CB ASP A 726 12.174 19.575 -23.260 1.00 0.00 C ATOM 231 CG ASP A 726 12.645 19.258 -24.665 1.00 0.00 C ATOM 232 OD1 ASP A 726 12.870 18.065 -24.960 1.00 0.00 O ATOM 233 OD2 ASP A 726 12.789 20.202 -25.470 1.00 0.00 O ATOM 0 H ASP A 726 9.785 20.130 -23.491 1.00 0.00 H new ATOM 0 HA ASP A 726 11.146 17.688 -23.334 1.00 0.00 H new ATOM 0 HB2 ASP A 726 11.809 20.601 -23.225 1.00 0.00 H new ATOM 0 HB3 ASP A 726 13.019 19.514 -22.574 1.00 0.00 H new ATOM 238 N VAL A 727 10.519 19.092 -20.469 1.00 0.00 N ATOM 239 CA VAL A 727 10.589 18.911 -19.024 1.00 0.00 C ATOM 240 C VAL A 727 9.828 17.664 -18.587 1.00 0.00 C ATOM 241 O VAL A 727 10.181 17.024 -17.597 1.00 0.00 O ATOM 242 CB VAL A 727 10.020 20.133 -18.278 1.00 0.00 C ATOM 243 CG1 VAL A 727 10.280 20.017 -16.784 1.00 0.00 C ATOM 244 CG2 VAL A 727 10.609 21.420 -18.831 1.00 0.00 C ATOM 0 H VAL A 727 9.887 19.833 -20.772 1.00 0.00 H new ATOM 0 HA VAL A 727 11.643 18.797 -18.771 1.00 0.00 H new ATOM 0 HB VAL A 727 8.942 20.159 -18.434 1.00 0.00 H new ATOM 0 HG11 VAL A 727 9.871 20.889 -16.275 1.00 0.00 H new ATOM 0 HG12 VAL A 727 9.802 19.116 -16.400 1.00 0.00 H new ATOM 0 HG13 VAL A 727 11.354 19.963 -16.605 1.00 0.00 H new ATOM 0 HG21 VAL A 727 10.195 22.271 -18.291 1.00 0.00 H new ATOM 0 HG22 VAL A 727 11.692 21.406 -18.710 1.00 0.00 H new ATOM 0 HG23 VAL A 727 10.363 21.507 -19.889 1.00 0.00 H new ATOM 254 N PHE A 728 8.782 17.324 -19.333 1.00 0.00 N ATOM 255 CA PHE A 728 7.969 16.153 -19.022 1.00 0.00 C ATOM 256 C PHE A 728 8.558 14.899 -19.660 1.00 0.00 C ATOM 257 O PHE A 728 8.432 13.799 -19.123 1.00 0.00 O ATOM 258 CB PHE A 728 6.533 16.359 -19.505 1.00 0.00 C ATOM 259 CG PHE A 728 5.786 17.412 -18.738 1.00 0.00 C ATOM 260 CD1 PHE A 728 6.220 18.728 -18.740 1.00 0.00 C ATOM 261 CD2 PHE A 728 4.652 17.086 -18.011 1.00 0.00 C ATOM 262 CE1 PHE A 728 5.535 19.700 -18.036 1.00 0.00 C ATOM 263 CE2 PHE A 728 3.963 18.054 -17.305 1.00 0.00 C ATOM 264 CZ PHE A 728 4.405 19.361 -17.316 1.00 0.00 C ATOM 0 H PHE A 728 8.477 17.842 -20.157 1.00 0.00 H new ATOM 0 HA PHE A 728 7.964 16.021 -17.940 1.00 0.00 H new ATOM 0 HB2 PHE A 728 6.549 16.633 -20.560 1.00 0.00 H new ATOM 0 HB3 PHE A 728 5.994 15.415 -19.429 1.00 0.00 H new ATOM 0 HD1 PHE A 728 7.104 18.997 -19.299 1.00 0.00 H new ATOM 0 HD2 PHE A 728 4.303 16.064 -17.996 1.00 0.00 H new ATOM 0 HE1 PHE A 728 5.882 20.723 -18.048 1.00 0.00 H new ATOM 0 HE2 PHE A 728 3.079 17.787 -16.745 1.00 0.00 H new ATOM 0 HZ PHE A 728 3.869 20.118 -16.763 1.00 0.00 H new ATOM 274 N TYR A 729 9.201 15.072 -20.811 1.00 0.00 N ATOM 275 CA TYR A 729 9.808 13.954 -21.523 1.00 0.00 C ATOM 276 C TYR A 729 11.274 13.791 -21.131 1.00 0.00 C ATOM 277 O TYR A 729 12.148 13.667 -21.989 1.00 0.00 O ATOM 278 CB TYR A 729 9.689 14.160 -23.034 1.00 0.00 C ATOM 279 CG TYR A 729 9.483 12.877 -23.807 1.00 0.00 C ATOM 280 CD1 TYR A 729 10.521 11.971 -23.979 1.00 0.00 C ATOM 281 CD2 TYR A 729 8.247 12.572 -24.364 1.00 0.00 C ATOM 282 CE1 TYR A 729 10.334 10.797 -24.684 1.00 0.00 C ATOM 283 CE2 TYR A 729 8.052 11.400 -25.070 1.00 0.00 C ATOM 284 CZ TYR A 729 9.099 10.516 -25.228 1.00 0.00 C ATOM 285 OH TYR A 729 8.909 9.348 -25.930 1.00 0.00 O ATOM 0 H TYR A 729 9.315 15.976 -21.270 1.00 0.00 H new ATOM 0 HA TYR A 729 9.275 13.045 -21.245 1.00 0.00 H new ATOM 0 HB2 TYR A 729 8.856 14.833 -23.236 1.00 0.00 H new ATOM 0 HB3 TYR A 729 10.591 14.652 -23.397 1.00 0.00 H new ATOM 0 HD1 TYR A 729 11.490 12.187 -23.555 1.00 0.00 H new ATOM 0 HD2 TYR A 729 7.425 13.262 -24.243 1.00 0.00 H new ATOM 0 HE1 TYR A 729 11.152 10.103 -24.808 1.00 0.00 H new ATOM 0 HE2 TYR A 729 7.085 11.177 -25.496 1.00 0.00 H new ATOM 0 HH TYR A 729 7.982 9.303 -26.246 1.00 0.00 H new ATOM 295 N ASN A 730 11.536 13.790 -19.827 1.00 0.00 N ATOM 296 CA ASN A 730 12.893 13.642 -19.319 1.00 0.00 C ATOM 297 C ASN A 730 12.900 13.573 -17.795 1.00 0.00 C ATOM 298 O ASN A 730 13.624 12.772 -17.204 1.00 0.00 O ATOM 299 CB ASN A 730 13.769 14.803 -19.796 1.00 0.00 C ATOM 300 CG ASN A 730 14.593 14.445 -21.016 1.00 0.00 C ATOM 301 OD1 ASN A 730 14.685 13.276 -21.395 1.00 0.00 O ATOM 302 ND2 ASN A 730 15.197 15.450 -21.640 1.00 0.00 N ATOM 0 H ASN A 730 10.824 13.890 -19.103 1.00 0.00 H new ATOM 0 HA ASN A 730 13.300 12.708 -19.707 1.00 0.00 H new ATOM 0 HB2 ASN A 730 13.136 15.660 -20.028 1.00 0.00 H new ATOM 0 HB3 ASN A 730 14.435 15.107 -18.988 1.00 0.00 H new ATOM 0 HD21 ASN A 730 15.764 15.269 -22.468 1.00 0.00 H new ATOM 0 HD22 ASN A 730 15.093 16.403 -21.291 1.00 0.00 H new ATOM 309 N THR A 731 12.090 14.418 -17.166 1.00 0.00 N ATOM 310 CA THR A 731 12.003 14.454 -15.711 1.00 0.00 C ATOM 311 C THR A 731 10.677 13.870 -15.232 1.00 0.00 C ATOM 312 O THR A 731 9.723 14.603 -14.970 1.00 0.00 O ATOM 313 CB THR A 731 12.154 15.890 -15.206 1.00 0.00 C ATOM 314 OG1 THR A 731 13.334 16.481 -15.719 1.00 0.00 O ATOM 315 CG2 THR A 731 12.210 15.990 -13.697 1.00 0.00 C ATOM 0 H THR A 731 11.484 15.087 -17.641 1.00 0.00 H new ATOM 0 HA THR A 731 12.814 13.848 -15.307 1.00 0.00 H new ATOM 0 HB THR A 731 11.265 16.414 -15.557 1.00 0.00 H new ATOM 0 HG1 THR A 731 13.411 17.399 -15.386 1.00 0.00 H new ATOM 0 HG21 THR A 731 12.318 17.035 -13.405 1.00 0.00 H new ATOM 0 HG22 THR A 731 11.291 15.587 -13.271 1.00 0.00 H new ATOM 0 HG23 THR A 731 13.062 15.420 -13.326 1.00 0.00 H new ATOM 323 N LYS A 732 10.624 12.547 -15.120 1.00 0.00 N ATOM 324 CA LYS A 732 9.417 11.865 -14.672 1.00 0.00 C ATOM 325 C LYS A 732 9.739 10.461 -14.166 1.00 0.00 C ATOM 326 O LYS A 732 10.673 9.819 -14.647 1.00 0.00 O ATOM 327 CB LYS A 732 8.397 11.787 -15.810 1.00 0.00 C ATOM 328 CG LYS A 732 8.923 11.081 -17.049 1.00 0.00 C ATOM 329 CD LYS A 732 8.655 9.587 -16.995 1.00 0.00 C ATOM 330 CE LYS A 732 8.727 8.957 -18.377 1.00 0.00 C ATOM 331 NZ LYS A 732 10.050 8.320 -18.628 1.00 0.00 N ATOM 0 H LYS A 732 11.404 11.926 -15.334 1.00 0.00 H new ATOM 0 HA LYS A 732 8.991 12.439 -13.849 1.00 0.00 H new ATOM 0 HB2 LYS A 732 7.508 11.266 -15.455 1.00 0.00 H new ATOM 0 HB3 LYS A 732 8.088 12.797 -16.080 1.00 0.00 H new ATOM 0 HG2 LYS A 732 8.453 11.504 -17.937 1.00 0.00 H new ATOM 0 HG3 LYS A 732 9.995 11.256 -17.141 1.00 0.00 H new ATOM 0 HD2 LYS A 732 9.382 9.110 -16.338 1.00 0.00 H new ATOM 0 HD3 LYS A 732 7.670 9.408 -16.564 1.00 0.00 H new ATOM 0 HE2 LYS A 732 7.939 8.210 -18.477 1.00 0.00 H new ATOM 0 HE3 LYS A 732 8.541 9.719 -19.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 10.059 7.902 -19.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 10.800 9.037 -18.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 10.216 7.575 -17.922 1.00 0.00 H new ATOM 345 N PRO A 733 8.969 9.964 -13.182 1.00 0.00 N ATOM 346 CA PRO A 733 9.177 8.631 -12.612 1.00 0.00 C ATOM 347 C PRO A 733 8.780 7.520 -13.578 1.00 0.00 C ATOM 348 O PRO A 733 8.535 7.768 -14.759 1.00 0.00 O ATOM 349 CB PRO A 733 8.267 8.623 -11.383 1.00 0.00 C ATOM 350 CG PRO A 733 7.190 9.599 -11.707 1.00 0.00 C ATOM 351 CD PRO A 733 7.834 10.665 -12.550 1.00 0.00 C ATOM 0 HA PRO A 733 10.226 8.446 -12.382 1.00 0.00 H new ATOM 0 HB2 PRO A 733 7.859 7.629 -11.198 1.00 0.00 H new ATOM 0 HB3 PRO A 733 8.811 8.916 -10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 733 6.375 9.116 -12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 733 6.764 10.025 -10.799 1.00 0.00 H new ATOM 0 HD2 PRO A 733 7.142 11.061 -13.294 1.00 0.00 H new ATOM 0 HD3 PRO A 733 8.169 11.508 -11.945 1.00 0.00 H new ATOM 359 N TYR A 734 8.717 6.295 -13.068 1.00 0.00 N ATOM 360 CA TYR A 734 8.348 5.143 -13.885 1.00 0.00 C ATOM 361 C TYR A 734 7.638 4.086 -13.047 1.00 0.00 C ATOM 362 O TYR A 734 7.753 2.890 -13.313 1.00 0.00 O ATOM 363 CB TYR A 734 9.590 4.540 -14.545 1.00 0.00 C ATOM 364 CG TYR A 734 9.341 4.010 -15.938 1.00 0.00 C ATOM 365 CD1 TYR A 734 8.988 4.865 -16.974 1.00 0.00 C ATOM 366 CD2 TYR A 734 9.455 2.654 -16.216 1.00 0.00 C ATOM 367 CE1 TYR A 734 8.758 4.383 -18.250 1.00 0.00 C ATOM 368 CE2 TYR A 734 9.228 2.165 -17.489 1.00 0.00 C ATOM 369 CZ TYR A 734 8.880 3.033 -18.501 1.00 0.00 C ATOM 370 OH TYR A 734 8.651 2.550 -19.769 1.00 0.00 O ATOM 0 H TYR A 734 8.917 6.073 -12.093 1.00 0.00 H new ATOM 0 HA TYR A 734 7.663 5.484 -14.661 1.00 0.00 H new ATOM 0 HB2 TYR A 734 10.372 5.298 -14.589 1.00 0.00 H new ATOM 0 HB3 TYR A 734 9.966 3.730 -13.920 1.00 0.00 H new ATOM 0 HD1 TYR A 734 8.892 5.923 -16.780 1.00 0.00 H new ATOM 0 HD2 TYR A 734 9.725 1.970 -15.425 1.00 0.00 H new ATOM 0 HE1 TYR A 734 8.484 5.061 -19.045 1.00 0.00 H new ATOM 0 HE2 TYR A 734 9.323 1.108 -17.689 1.00 0.00 H new ATOM 0 HH TYR A 734 8.780 1.579 -19.777 1.00 0.00 H new ATOM 380 N LYS A 735 6.907 4.535 -12.032 1.00 0.00 N ATOM 381 CA LYS A 735 6.179 3.628 -11.153 1.00 0.00 C ATOM 382 C LYS A 735 4.828 3.251 -11.756 1.00 0.00 C ATOM 383 O LYS A 735 4.315 2.159 -11.517 1.00 0.00 O ATOM 384 CB LYS A 735 5.975 4.270 -9.779 1.00 0.00 C ATOM 385 CG LYS A 735 5.865 3.261 -8.648 1.00 0.00 C ATOM 386 CD LYS A 735 6.478 3.796 -7.364 1.00 0.00 C ATOM 387 CE LYS A 735 7.153 2.691 -6.566 1.00 0.00 C ATOM 388 NZ LYS A 735 8.595 2.558 -6.913 1.00 0.00 N ATOM 0 H LYS A 735 6.803 5.522 -11.798 1.00 0.00 H new ATOM 0 HA LYS A 735 6.772 2.720 -11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 735 6.807 4.944 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 735 5.071 4.878 -9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 735 4.817 3.016 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 735 6.366 2.336 -8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 735 7.206 4.571 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 735 5.703 4.263 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 735 7.054 2.900 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 735 6.645 1.745 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 9.019 1.795 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 8.689 2.334 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 9.085 3.452 -6.709 1.00 0.00 H new ATOM 402 N HIS A 736 4.260 4.163 -12.539 1.00 0.00 N ATOM 403 CA HIS A 736 2.970 3.926 -13.177 1.00 0.00 C ATOM 404 C HIS A 736 1.874 3.739 -12.132 1.00 0.00 C ATOM 405 O HIS A 736 1.881 2.766 -11.377 1.00 0.00 O ATOM 406 CB HIS A 736 3.042 2.696 -14.083 1.00 0.00 C ATOM 407 CG HIS A 736 2.183 2.802 -15.305 1.00 0.00 C ATOM 408 ND1 HIS A 736 1.973 3.987 -15.979 1.00 0.00 N ATOM 409 CD2 HIS A 736 1.477 1.860 -15.975 1.00 0.00 C ATOM 410 CE1 HIS A 736 1.177 3.770 -17.009 1.00 0.00 C ATOM 411 NE2 HIS A 736 0.861 2.488 -17.030 1.00 0.00 N ATOM 0 H HIS A 736 4.673 5.072 -12.747 1.00 0.00 H new ATOM 0 HA HIS A 736 2.726 4.799 -13.782 1.00 0.00 H new ATOM 0 HB2 HIS A 736 4.077 2.540 -14.388 1.00 0.00 H new ATOM 0 HB3 HIS A 736 2.742 1.817 -13.513 1.00 0.00 H new ATOM 0 HD2 HIS A 736 1.411 0.811 -15.726 1.00 0.00 H new ATOM 0 HE1 HIS A 736 0.841 4.515 -17.715 1.00 0.00 H new ATOM 0 HE2 HIS A 736 0.258 2.037 -17.718 1.00 0.00 H new ATOM 420 N ARG A 737 0.934 4.677 -12.093 1.00 0.00 N ATOM 421 CA ARG A 737 -0.169 4.615 -11.141 1.00 0.00 C ATOM 422 C ARG A 737 -1.420 4.032 -11.793 1.00 0.00 C ATOM 423 O ARG A 737 -2.537 4.463 -11.509 1.00 0.00 O ATOM 424 CB ARG A 737 -0.468 6.010 -10.587 1.00 0.00 C ATOM 425 CG ARG A 737 -0.663 6.037 -9.080 1.00 0.00 C ATOM 426 CD ARG A 737 0.605 6.472 -8.361 1.00 0.00 C ATOM 427 NE ARG A 737 0.319 7.361 -7.237 1.00 0.00 N ATOM 428 CZ ARG A 737 0.001 8.646 -7.370 1.00 0.00 C ATOM 429 NH1 ARG A 737 -0.074 9.195 -8.576 1.00 0.00 N ATOM 430 NH2 ARG A 737 -0.243 9.384 -6.295 1.00 0.00 N ATOM 0 H ARG A 737 0.914 5.489 -12.710 1.00 0.00 H new ATOM 0 HA ARG A 737 0.127 3.961 -10.320 1.00 0.00 H new ATOM 0 HB2 ARG A 737 0.350 6.680 -10.851 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -1.366 6.398 -11.068 1.00 0.00 H new ATOM 0 HG2 ARG A 737 -1.476 6.718 -8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 737 -0.958 5.047 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 737 1.138 5.592 -8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 737 1.265 6.978 -9.065 1.00 0.00 H new ATOM 0 HE ARG A 737 0.366 6.973 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 737 0.112 8.631 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 737 -0.318 10.181 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 737 -0.187 8.966 -5.366 1.00 0.00 H new ATOM 0 HH22 ARG A 737 -0.487 10.369 -6.397 1.00 0.00 H new ATOM 444 N ASP A 738 -1.223 3.050 -12.664 1.00 0.00 N ATOM 445 CA ASP A 738 -2.334 2.408 -13.357 1.00 0.00 C ATOM 446 C ASP A 738 -3.167 1.574 -12.390 1.00 0.00 C ATOM 447 O ASP A 738 -4.395 1.548 -12.474 1.00 0.00 O ATOM 448 CB ASP A 738 -1.814 1.526 -14.492 1.00 0.00 C ATOM 449 CG ASP A 738 -1.707 2.276 -15.806 1.00 0.00 C ATOM 450 OD1 ASP A 738 -1.378 3.481 -15.776 1.00 0.00 O ATOM 451 OD2 ASP A 738 -1.954 1.659 -16.864 1.00 0.00 O ATOM 0 H ASP A 738 -0.304 2.680 -12.908 1.00 0.00 H new ATOM 0 HA ASP A 738 -2.969 3.189 -13.776 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -0.835 1.131 -14.222 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -2.479 0.671 -14.618 1.00 0.00 H new ATOM 456 N ASP A 739 -2.492 0.890 -11.471 1.00 0.00 N ATOM 457 CA ASP A 739 -3.169 0.053 -10.487 1.00 0.00 C ATOM 458 C ASP A 739 -4.048 0.896 -9.569 1.00 0.00 C ATOM 459 O ASP A 739 -5.158 0.496 -9.216 1.00 0.00 O ATOM 460 CB ASP A 739 -2.148 -0.727 -9.660 1.00 0.00 C ATOM 461 CG ASP A 739 -1.814 -2.073 -10.274 1.00 0.00 C ATOM 462 OD1 ASP A 739 -2.570 -3.037 -10.037 1.00 0.00 O ATOM 463 OD2 ASP A 739 -0.795 -2.161 -10.992 1.00 0.00 O ATOM 0 H ASP A 739 -1.475 0.899 -11.388 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.805 -0.652 -11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.236 -0.138 -9.564 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -2.538 -0.877 -8.653 1.00 0.00 H new ATOM 468 N ARG A 740 -3.543 2.064 -9.184 1.00 0.00 N ATOM 469 CA ARG A 740 -4.284 2.963 -8.306 1.00 0.00 C ATOM 470 C ARG A 740 -5.603 3.383 -8.943 1.00 0.00 C ATOM 471 O ARG A 740 -6.616 3.529 -8.260 1.00 0.00 O ATOM 472 CB ARG A 740 -3.443 4.201 -7.981 1.00 0.00 C ATOM 473 CG ARG A 740 -2.520 4.012 -6.789 1.00 0.00 C ATOM 474 CD ARG A 740 -2.015 5.343 -6.260 1.00 0.00 C ATOM 475 NE ARG A 740 -1.938 5.360 -4.800 1.00 0.00 N ATOM 476 CZ ARG A 740 -1.073 4.635 -4.095 1.00 0.00 C ATOM 477 NH1 ARG A 740 -0.208 3.836 -4.710 1.00 0.00 N ATOM 478 NH2 ARG A 740 -1.069 4.710 -2.771 1.00 0.00 N ATOM 0 H ARG A 740 -2.626 2.410 -9.466 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.503 2.428 -7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.846 4.464 -8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -4.109 5.041 -7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -3.050 3.482 -5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -1.673 3.389 -7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -1.029 5.548 -6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -2.676 6.141 -6.597 1.00 0.00 H new ATOM 0 HE ARG A 740 -2.585 5.963 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -0.204 3.776 -5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 740 0.453 3.283 -4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -1.729 5.323 -2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -0.406 4.154 -2.231 1.00 0.00 H new ATOM 492 N LEU A 741 -5.585 3.574 -10.260 1.00 0.00 N ATOM 493 CA LEU A 741 -6.784 3.975 -10.988 1.00 0.00 C ATOM 494 C LEU A 741 -7.896 2.950 -10.804 1.00 0.00 C ATOM 495 O LEU A 741 -9.056 3.307 -10.607 1.00 0.00 O ATOM 496 CB LEU A 741 -6.471 4.147 -12.476 1.00 0.00 C ATOM 497 CG LEU A 741 -5.728 5.435 -12.836 1.00 0.00 C ATOM 498 CD1 LEU A 741 -4.892 5.235 -14.091 1.00 0.00 C ATOM 499 CD2 LEU A 741 -6.710 6.581 -13.024 1.00 0.00 C ATOM 0 H LEU A 741 -4.756 3.458 -10.842 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.123 4.929 -10.585 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.875 3.297 -12.807 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.407 4.117 -13.034 1.00 0.00 H new ATOM 0 HG LEU A 741 -5.058 5.688 -12.014 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.371 6.161 -14.332 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.164 4.442 -13.920 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -5.542 4.958 -14.921 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.164 7.489 -13.280 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -7.405 6.337 -13.828 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.266 6.739 -12.100 1.00 0.00 H new ATOM 511 N LEU A 742 -7.533 1.672 -10.860 1.00 0.00 N ATOM 512 CA LEU A 742 -8.502 0.596 -10.691 1.00 0.00 C ATOM 513 C LEU A 742 -9.223 0.733 -9.357 1.00 0.00 C ATOM 514 O LEU A 742 -10.405 0.411 -9.244 1.00 0.00 O ATOM 515 CB LEU A 742 -7.807 -0.764 -10.775 1.00 0.00 C ATOM 516 CG LEU A 742 -7.303 -1.149 -12.167 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.468 -2.419 -12.099 1.00 0.00 C ATOM 518 CD2 LEU A 742 -8.470 -1.328 -13.125 1.00 0.00 C ATOM 0 H LEU A 742 -6.576 1.357 -11.021 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.236 0.665 -11.493 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.962 -0.766 -10.086 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.501 -1.531 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 742 -6.672 -0.342 -12.541 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -6.118 -2.678 -13.098 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.611 -2.257 -11.445 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -7.076 -3.233 -11.705 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -8.093 -1.602 -14.110 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -9.126 -2.116 -12.756 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -9.028 -0.395 -13.197 1.00 0.00 H new ATOM 530 N GLN A 743 -8.504 1.221 -8.349 1.00 0.00 N ATOM 531 CA GLN A 743 -9.080 1.409 -7.025 1.00 0.00 C ATOM 532 C GLN A 743 -10.259 2.373 -7.087 1.00 0.00 C ATOM 533 O GLN A 743 -11.325 2.103 -6.536 1.00 0.00 O ATOM 534 CB GLN A 743 -8.021 1.939 -6.056 1.00 0.00 C ATOM 535 CG GLN A 743 -6.787 1.055 -5.961 1.00 0.00 C ATOM 536 CD GLN A 743 -7.125 -0.378 -5.596 1.00 0.00 C ATOM 537 OE1 GLN A 743 -7.153 -0.742 -4.419 1.00 0.00 O ATOM 538 NE2 GLN A 743 -7.382 -1.202 -6.606 1.00 0.00 N ATOM 0 H GLN A 743 -7.524 1.492 -8.426 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.437 0.444 -6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.719 2.938 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.464 2.038 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.260 1.069 -6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -6.107 1.466 -5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.348 -0.859 -7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -7.614 -2.178 -6.422 1.00 0.00 H new ATOM 547 N ALA A 744 -10.060 3.499 -7.764 1.00 0.00 N ATOM 548 CA ALA A 744 -11.108 4.500 -7.900 1.00 0.00 C ATOM 549 C ALA A 744 -12.219 4.006 -8.820 1.00 0.00 C ATOM 550 O ALA A 744 -13.401 4.102 -8.489 1.00 0.00 O ATOM 551 CB ALA A 744 -10.529 5.808 -8.417 1.00 0.00 C ATOM 0 H ALA A 744 -9.183 3.740 -8.226 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.539 4.676 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.326 6.546 -8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.777 6.175 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -10.069 5.642 -9.391 1.00 0.00 H new ATOM 557 N LEU A 745 -11.832 3.478 -9.979 1.00 0.00 N ATOM 558 CA LEU A 745 -12.799 2.969 -10.947 1.00 0.00 C ATOM 559 C LEU A 745 -13.680 1.900 -10.313 1.00 0.00 C ATOM 560 O LEU A 745 -14.906 1.949 -10.416 1.00 0.00 O ATOM 561 CB LEU A 745 -12.078 2.395 -12.171 1.00 0.00 C ATOM 562 CG LEU A 745 -11.074 3.339 -12.839 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.981 2.548 -13.545 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.785 4.261 -13.820 1.00 0.00 C ATOM 0 H LEU A 745 -10.858 3.392 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.431 3.798 -11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.555 1.487 -11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.825 2.104 -12.909 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.608 3.949 -12.066 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.278 3.237 -14.013 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.454 1.929 -12.819 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.428 1.911 -14.309 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -11.058 4.926 -14.287 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.277 3.665 -14.588 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.530 4.853 -13.288 1.00 0.00 H new ATOM 576 N MET A 746 -13.048 0.933 -9.653 1.00 0.00 N ATOM 577 CA MET A 746 -13.781 -0.144 -8.999 1.00 0.00 C ATOM 578 C MET A 746 -14.554 0.383 -7.795 1.00 0.00 C ATOM 579 O MET A 746 -15.671 -0.055 -7.519 1.00 0.00 O ATOM 580 CB MET A 746 -12.823 -1.256 -8.564 1.00 0.00 C ATOM 581 CG MET A 746 -11.930 -0.879 -7.394 1.00 0.00 C ATOM 582 SD MET A 746 -12.689 -1.234 -5.797 1.00 0.00 S ATOM 583 CE MET A 746 -12.080 -2.890 -5.492 1.00 0.00 C ATOM 0 H MET A 746 -12.034 0.874 -9.558 1.00 0.00 H new ATOM 0 HA MET A 746 -14.493 -0.554 -9.715 1.00 0.00 H new ATOM 0 HB2 MET A 746 -13.404 -2.138 -8.295 1.00 0.00 H new ATOM 0 HB3 MET A 746 -12.196 -1.534 -9.411 1.00 0.00 H new ATOM 0 HG2 MET A 746 -10.987 -1.421 -7.472 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.693 0.183 -7.451 1.00 0.00 H new ATOM 0 HE1 MET A 746 -12.464 -3.249 -4.537 1.00 0.00 H new ATOM 0 HE2 MET A 746 -12.414 -3.553 -6.290 1.00 0.00 H new ATOM 0 HE3 MET A 746 -10.990 -2.877 -5.463 1.00 0.00 H new ATOM 593 N ASP A 747 -13.950 1.329 -7.082 1.00 0.00 N ATOM 594 CA ASP A 747 -14.579 1.921 -5.906 1.00 0.00 C ATOM 595 C ASP A 747 -15.943 2.510 -6.255 1.00 0.00 C ATOM 596 O ASP A 747 -16.913 2.336 -5.518 1.00 0.00 O ATOM 597 CB ASP A 747 -13.679 3.005 -5.309 1.00 0.00 C ATOM 598 CG ASP A 747 -12.762 2.466 -4.230 1.00 0.00 C ATOM 599 OD1 ASP A 747 -12.501 1.246 -4.228 1.00 0.00 O ATOM 600 OD2 ASP A 747 -12.306 3.265 -3.386 1.00 0.00 O ATOM 0 H ASP A 747 -13.026 1.702 -7.298 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.723 1.132 -5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -13.079 3.452 -6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -14.299 3.799 -4.892 1.00 0.00 H new ATOM 605 N ILE A 748 -16.008 3.208 -7.383 1.00 0.00 N ATOM 606 CA ILE A 748 -17.252 3.821 -7.831 1.00 0.00 C ATOM 607 C ILE A 748 -18.331 2.767 -8.057 1.00 0.00 C ATOM 608 O ILE A 748 -19.443 2.881 -7.541 1.00 0.00 O ATOM 609 CB ILE A 748 -17.049 4.622 -9.132 1.00 0.00 C ATOM 610 CG1 ILE A 748 -15.881 5.597 -8.983 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.324 5.369 -9.501 1.00 0.00 C ATOM 612 CD1 ILE A 748 -14.990 5.665 -10.206 1.00 0.00 C ATOM 0 H ILE A 748 -15.214 3.363 -8.004 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.572 4.502 -7.043 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.814 3.923 -9.935 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.273 6.592 -8.774 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.281 5.303 -8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.164 5.930 -10.422 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.135 4.655 -9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.587 6.058 -8.698 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -14.183 6.376 -10.029 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -14.568 4.680 -10.404 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -15.577 5.988 -11.066 1.00 0.00 H new ATOM 624 N LEU A 749 -17.993 1.741 -8.829 1.00 0.00 N ATOM 625 CA LEU A 749 -18.932 0.664 -9.123 1.00 0.00 C ATOM 626 C LEU A 749 -19.290 -0.106 -7.856 1.00 0.00 C ATOM 627 O LEU A 749 -20.434 -0.523 -7.675 1.00 0.00 O ATOM 628 CB LEU A 749 -18.338 -0.290 -10.161 1.00 0.00 C ATOM 629 CG LEU A 749 -19.360 -1.008 -11.042 1.00 0.00 C ATOM 630 CD1 LEU A 749 -20.282 -0.004 -11.717 1.00 0.00 C ATOM 631 CD2 LEU A 749 -18.657 -1.869 -12.080 1.00 0.00 C ATOM 0 H LEU A 749 -17.076 1.632 -9.263 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.841 1.109 -9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.660 0.273 -10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -17.739 -1.039 -9.643 1.00 0.00 H new ATOM 0 HG LEU A 749 -19.964 -1.657 -10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -21.003 -0.534 -12.340 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -20.812 0.571 -10.958 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -19.693 0.671 -12.338 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -19.400 -2.373 -12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -18.028 -1.239 -12.709 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -18.039 -2.613 -11.577 1.00 0.00 H new ATOM 643 N ASN A 750 -18.305 -0.289 -6.982 1.00 0.00 N ATOM 644 CA ASN A 750 -18.511 -1.006 -5.737 1.00 0.00 C ATOM 645 C ASN A 750 -18.775 -0.041 -4.585 1.00 0.00 C ATOM 646 O ASN A 750 -18.412 -0.312 -3.440 1.00 0.00 O ATOM 647 CB ASN A 750 -17.297 -1.879 -5.419 1.00 0.00 C ATOM 648 CG ASN A 750 -17.671 -3.133 -4.654 1.00 0.00 C ATOM 649 OD1 ASN A 750 -17.702 -3.137 -3.423 1.00 0.00 O ATOM 650 ND2 ASN A 750 -17.956 -4.207 -5.379 1.00 0.00 N ATOM 0 H ASN A 750 -17.354 0.053 -7.118 1.00 0.00 H new ATOM 0 HA ASN A 750 -19.387 -1.644 -5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.800 -2.158 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -16.580 -1.301 -4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -18.213 -5.080 -4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -17.918 -4.160 -6.397 1.00 0.00 H new ATOM 657 N GLU A 751 -19.411 1.085 -4.893 1.00 0.00 N ATOM 658 CA GLU A 751 -19.723 2.089 -3.882 1.00 0.00 C ATOM 659 C GLU A 751 -20.577 1.495 -2.766 1.00 0.00 C ATOM 660 O GLU A 751 -20.489 1.916 -1.613 1.00 0.00 O ATOM 661 CB GLU A 751 -20.450 3.276 -4.519 1.00 0.00 C ATOM 662 CG GLU A 751 -19.514 4.350 -5.047 1.00 0.00 C ATOM 663 CD GLU A 751 -19.053 5.305 -3.965 1.00 0.00 C ATOM 664 OE1 GLU A 751 -19.881 6.116 -3.497 1.00 0.00 O ATOM 665 OE2 GLU A 751 -17.865 5.244 -3.585 1.00 0.00 O ATOM 0 H GLU A 751 -19.720 1.325 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 751 -18.784 2.435 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -21.072 2.914 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -21.119 3.719 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -18.645 3.877 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -20.019 4.913 -5.832 1.00 0.00 H new ATOM 672 N GLU A 752 -21.402 0.514 -3.117 1.00 0.00 N ATOM 673 CA GLU A 752 -22.270 -0.139 -2.146 1.00 0.00 C ATOM 674 C GLU A 752 -23.051 -1.279 -2.792 1.00 0.00 C ATOM 675 O GLU A 752 -24.223 -1.127 -3.135 1.00 0.00 O ATOM 676 CB GLU A 752 -23.240 0.874 -1.534 1.00 0.00 C ATOM 677 CG GLU A 752 -24.087 0.304 -0.410 1.00 0.00 C ATOM 678 CD GLU A 752 -23.554 0.662 0.963 1.00 0.00 C ATOM 679 OE1 GLU A 752 -22.713 -0.096 1.489 1.00 0.00 O ATOM 680 OE2 GLU A 752 -23.977 1.701 1.512 1.00 0.00 O ATOM 0 H GLU A 752 -21.487 0.154 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 752 -21.642 -0.554 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -22.673 1.724 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -23.897 1.253 -2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -25.108 0.673 -0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -24.130 -0.781 -0.507 1.00 0.00 H new ATOM 687 N ASN A 753 -22.391 -2.422 -2.956 1.00 0.00 N ATOM 688 CA ASN A 753 -23.023 -3.589 -3.562 1.00 0.00 C ATOM 689 C ASN A 753 -23.482 -3.282 -4.984 1.00 0.00 C ATOM 690 O ASN A 753 -24.239 -4.100 -5.549 1.00 0.00 O ATOM 691 CB ASN A 753 -24.213 -4.046 -2.715 1.00 0.00 C ATOM 692 CG ASN A 753 -24.346 -5.556 -2.674 1.00 0.00 C ATOM 693 OD1 ASN A 753 -23.525 -6.246 -2.069 1.00 0.00 O ATOM 694 ND2 ASN A 753 -25.384 -6.077 -3.318 1.00 0.00 N ATOM 695 OXT ASN A 753 -23.084 -2.227 -5.519 1.00 0.00 O ATOM 0 H ASN A 753 -21.420 -2.565 -2.678 1.00 0.00 H new ATOM 0 HA ASN A 753 -22.286 -4.391 -3.604 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -24.100 -3.666 -1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -25.129 -3.614 -3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -25.526 -7.087 -3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -26.040 -5.467 -3.806 1.00 0.00 H new TER 702 ASN A 753