USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=11 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 731 THR OG1 : rot -140:sc= 0.29 USER MOD Set 1.2: A 735 LYS NZ :NH3+ -162:sc= 0.29 (180deg=0) USER MOD Single : A 711 SER OG : rot 180:sc= -0.13 USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 721 TYR OH : rot 180:sc= 0 USER MOD Single : A 722 SER OG : rot 180:sc= 0 USER MOD Single : A 724 TYR OH : rot 180:sc= 0 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= -0.925 K(o=-0.93,f=-1.9!) 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 736 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.017) USER MOD Single : A 743 GLN :FLIP amide:sc= -0.189 F(o=-1.6,f=-0.19) USER MOD Single : A 746 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 750 ASN : amide:sc= -1.17 K(o=-1.2,f=-2!) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 20.490 -4.187 -27.737 1.00 0.00 N ATOM 2 CA SER A 711 19.850 -5.440 -28.216 1.00 0.00 C ATOM 3 C SER A 711 19.713 -5.441 -29.735 1.00 0.00 C ATOM 4 O SER A 711 19.800 -4.396 -30.377 1.00 0.00 O ATOM 5 CB SER A 711 18.473 -5.565 -27.562 1.00 0.00 C ATOM 6 OG SER A 711 17.732 -6.629 -28.133 1.00 0.00 O ATOM 0 HA SER A 711 20.475 -6.290 -27.941 1.00 0.00 H new ATOM 0 HB2 SER A 711 18.589 -5.732 -26.491 1.00 0.00 H new ATOM 0 HB3 SER A 711 17.924 -4.631 -27.681 1.00 0.00 H new ATOM 0 HG SER A 711 16.857 -6.689 -27.697 1.00 0.00 H new ATOM 14 N LYS A 712 19.500 -6.625 -30.303 1.00 0.00 N ATOM 15 CA LYS A 712 19.351 -6.763 -31.747 1.00 0.00 C ATOM 16 C LYS A 712 17.881 -6.912 -32.131 1.00 0.00 C ATOM 17 O LYS A 712 17.464 -6.481 -33.205 1.00 0.00 O ATOM 18 CB LYS A 712 20.147 -7.969 -32.248 1.00 0.00 C ATOM 19 CG LYS A 712 20.779 -7.753 -33.614 1.00 0.00 C ATOM 20 CD LYS A 712 21.833 -6.660 -33.574 1.00 0.00 C ATOM 21 CE LYS A 712 22.789 -6.763 -34.750 1.00 0.00 C ATOM 22 NZ LYS A 712 24.052 -7.461 -34.382 1.00 0.00 N ATOM 0 H LYS A 712 19.427 -7.501 -29.785 1.00 0.00 H new ATOM 0 HA LYS A 712 19.740 -5.859 -32.216 1.00 0.00 H new ATOM 0 HB2 LYS A 712 20.930 -8.202 -31.527 1.00 0.00 H new ATOM 0 HB3 LYS A 712 19.488 -8.836 -32.294 1.00 0.00 H new ATOM 0 HG2 LYS A 712 21.231 -8.683 -33.958 1.00 0.00 H new ATOM 0 HG3 LYS A 712 20.006 -7.488 -34.336 1.00 0.00 H new ATOM 0 HD2 LYS A 712 21.347 -5.684 -33.584 1.00 0.00 H new ATOM 0 HD3 LYS A 712 22.393 -6.728 -32.642 1.00 0.00 H new ATOM 0 HE2 LYS A 712 22.304 -7.298 -35.566 1.00 0.00 H new ATOM 0 HE3 LYS A 712 23.021 -5.763 -35.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 24.676 -7.510 -35.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 24.529 -6.937 -33.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 23.834 -8.424 -34.056 1.00 0.00 H new ATOM 36 N LEU A 713 17.104 -7.526 -31.245 1.00 0.00 N ATOM 37 CA LEU A 713 15.681 -7.732 -31.490 1.00 0.00 C ATOM 38 C LEU A 713 15.463 -8.584 -32.738 1.00 0.00 C ATOM 39 O LEU A 713 16.417 -8.961 -33.419 1.00 0.00 O ATOM 40 CB LEU A 713 14.968 -6.387 -31.645 1.00 0.00 C ATOM 41 CG LEU A 713 15.162 -5.416 -30.481 1.00 0.00 C ATOM 42 CD1 LEU A 713 15.110 -3.977 -30.972 1.00 0.00 C ATOM 43 CD2 LEU A 713 14.108 -5.652 -29.410 1.00 0.00 C ATOM 0 H LEU A 713 17.435 -7.889 -30.351 1.00 0.00 H new ATOM 0 HA LEU A 713 15.262 -8.260 -30.633 1.00 0.00 H new ATOM 0 HB2 LEU A 713 15.320 -5.909 -32.559 1.00 0.00 H new ATOM 0 HB3 LEU A 713 13.901 -6.571 -31.771 1.00 0.00 H new ATOM 0 HG LEU A 713 16.144 -5.595 -30.044 1.00 0.00 H new ATOM 0 HD11 LEU A 713 15.250 -3.300 -30.129 1.00 0.00 H new ATOM 0 HD12 LEU A 713 15.901 -3.814 -31.704 1.00 0.00 H new ATOM 0 HD13 LEU A 713 14.142 -3.785 -31.435 1.00 0.00 H new ATOM 0 HD21 LEU A 713 14.261 -4.952 -28.589 1.00 0.00 H new ATOM 0 HD22 LEU A 713 13.116 -5.500 -29.836 1.00 0.00 H new ATOM 0 HD23 LEU A 713 14.191 -6.673 -29.037 1.00 0.00 H new ATOM 55 N GLU A 714 14.201 -8.883 -33.030 1.00 0.00 N ATOM 56 CA GLU A 714 13.858 -9.690 -34.195 1.00 0.00 C ATOM 57 C GLU A 714 12.719 -9.050 -34.982 1.00 0.00 C ATOM 58 O GLU A 714 12.898 -8.640 -36.129 1.00 0.00 O ATOM 59 CB GLU A 714 13.465 -11.104 -33.764 1.00 0.00 C ATOM 60 CG GLU A 714 14.625 -11.916 -33.214 1.00 0.00 C ATOM 61 CD GLU A 714 15.717 -12.142 -34.240 1.00 0.00 C ATOM 62 OE1 GLU A 714 15.384 -12.463 -35.400 1.00 0.00 O ATOM 63 OE2 GLU A 714 16.905 -12.000 -33.884 1.00 0.00 O ATOM 0 H GLU A 714 13.400 -8.579 -32.476 1.00 0.00 H new ATOM 0 HA GLU A 714 14.735 -9.746 -34.840 1.00 0.00 H new ATOM 0 HB2 GLU A 714 12.685 -11.040 -33.005 1.00 0.00 H new ATOM 0 HB3 GLU A 714 13.037 -11.629 -34.618 1.00 0.00 H new ATOM 0 HG2 GLU A 714 15.045 -11.403 -32.349 1.00 0.00 H new ATOM 0 HG3 GLU A 714 14.255 -12.880 -32.864 1.00 0.00 H new ATOM 70 N GLY A 715 11.548 -8.969 -34.360 1.00 0.00 N ATOM 71 CA GLY A 715 10.398 -8.378 -35.018 1.00 0.00 C ATOM 72 C GLY A 715 9.520 -9.415 -35.691 1.00 0.00 C ATOM 73 O GLY A 715 8.313 -9.464 -35.455 1.00 0.00 O ATOM 0 H GLY A 715 11.375 -9.302 -33.412 1.00 0.00 H new ATOM 0 HA2 GLY A 715 9.808 -7.826 -34.286 1.00 0.00 H new ATOM 0 HA3 GLY A 715 10.739 -7.657 -35.761 1.00 0.00 H new ATOM 77 N SER A 716 10.129 -10.246 -36.532 1.00 0.00 N ATOM 78 CA SER A 716 9.399 -11.290 -37.248 1.00 0.00 C ATOM 79 C SER A 716 8.441 -10.685 -38.268 1.00 0.00 C ATOM 80 O SER A 716 8.665 -10.779 -39.476 1.00 0.00 O ATOM 81 CB SER A 716 8.629 -12.173 -36.262 1.00 0.00 C ATOM 82 OG SER A 716 8.777 -13.545 -36.584 1.00 0.00 O ATOM 0 H SER A 716 11.128 -10.217 -36.735 1.00 0.00 H new ATOM 0 HA SER A 716 10.124 -11.904 -37.782 1.00 0.00 H new ATOM 0 HB2 SER A 716 8.990 -11.993 -35.249 1.00 0.00 H new ATOM 0 HB3 SER A 716 7.573 -11.905 -36.277 1.00 0.00 H new ATOM 0 HG SER A 716 8.278 -14.088 -35.939 1.00 0.00 H new ATOM 88 N GLU A 717 7.372 -10.066 -37.777 1.00 0.00 N ATOM 89 CA GLU A 717 6.381 -9.447 -38.649 1.00 0.00 C ATOM 90 C GLU A 717 6.774 -8.017 -39.005 1.00 0.00 C ATOM 91 O GLU A 717 6.320 -7.470 -40.011 1.00 0.00 O ATOM 92 CB GLU A 717 5.005 -9.459 -37.980 1.00 0.00 C ATOM 93 CG GLU A 717 3.898 -8.888 -38.854 1.00 0.00 C ATOM 94 CD GLU A 717 2.515 -9.192 -38.313 1.00 0.00 C ATOM 95 OE1 GLU A 717 2.060 -10.347 -38.458 1.00 0.00 O ATOM 96 OE2 GLU A 717 1.886 -8.276 -37.744 1.00 0.00 O ATOM 0 H GLU A 717 7.170 -9.980 -36.781 1.00 0.00 H new ATOM 0 HA GLU A 717 6.337 -10.028 -39.570 1.00 0.00 H new ATOM 0 HB2 GLU A 717 4.751 -10.484 -37.709 1.00 0.00 H new ATOM 0 HB3 GLU A 717 5.056 -8.888 -37.053 1.00 0.00 H new ATOM 0 HG2 GLU A 717 4.024 -7.808 -38.934 1.00 0.00 H new ATOM 0 HG3 GLU A 717 3.988 -9.295 -39.861 1.00 0.00 H new ATOM 103 N ASP A 718 7.619 -7.417 -38.175 1.00 0.00 N ATOM 104 CA ASP A 718 8.073 -6.049 -38.403 1.00 0.00 C ATOM 105 C ASP A 718 9.185 -5.676 -37.428 1.00 0.00 C ATOM 106 O ASP A 718 9.202 -6.132 -36.285 1.00 0.00 O ATOM 107 CB ASP A 718 6.905 -5.072 -38.262 1.00 0.00 C ATOM 108 CG ASP A 718 6.248 -4.760 -39.592 1.00 0.00 C ATOM 109 OD1 ASP A 718 6.929 -4.188 -40.470 1.00 0.00 O ATOM 110 OD2 ASP A 718 5.054 -5.085 -39.756 1.00 0.00 O ATOM 0 H ASP A 718 8.004 -7.855 -37.338 1.00 0.00 H new ATOM 0 HA ASP A 718 8.468 -5.987 -39.417 1.00 0.00 H new ATOM 0 HB2 ASP A 718 6.163 -5.493 -37.583 1.00 0.00 H new ATOM 0 HB3 ASP A 718 7.262 -4.146 -37.810 1.00 0.00 H new ATOM 115 N SER A 719 10.113 -4.843 -37.888 1.00 0.00 N ATOM 116 CA SER A 719 11.230 -4.407 -37.057 1.00 0.00 C ATOM 117 C SER A 719 11.946 -3.218 -37.688 1.00 0.00 C ATOM 118 O SER A 719 13.165 -3.081 -37.572 1.00 0.00 O ATOM 119 CB SER A 719 12.215 -5.558 -36.846 1.00 0.00 C ATOM 120 OG SER A 719 12.702 -5.577 -35.514 1.00 0.00 O ATOM 0 H SER A 719 10.114 -4.456 -38.832 1.00 0.00 H new ATOM 0 HA SER A 719 10.832 -4.097 -36.091 1.00 0.00 H new ATOM 0 HB2 SER A 719 11.725 -6.505 -37.071 1.00 0.00 H new ATOM 0 HB3 SER A 719 13.050 -5.458 -37.540 1.00 0.00 H new ATOM 0 HG SER A 719 13.328 -6.323 -35.405 1.00 0.00 H new ATOM 126 N LEU A 720 11.182 -2.360 -38.357 1.00 0.00 N ATOM 127 CA LEU A 720 11.744 -1.182 -39.008 1.00 0.00 C ATOM 128 C LEU A 720 11.253 0.097 -38.336 1.00 0.00 C ATOM 129 O LEU A 720 12.049 0.891 -37.834 1.00 0.00 O ATOM 130 CB LEU A 720 11.372 -1.168 -40.492 1.00 0.00 C ATOM 131 CG LEU A 720 12.427 -0.560 -41.418 1.00 0.00 C ATOM 132 CD1 LEU A 720 12.769 0.856 -40.980 1.00 0.00 C ATOM 133 CD2 LEU A 720 13.676 -1.428 -41.445 1.00 0.00 C ATOM 0 H LEU A 720 10.172 -2.459 -38.462 1.00 0.00 H new ATOM 0 HA LEU A 720 12.829 -1.227 -38.913 1.00 0.00 H new ATOM 0 HB2 LEU A 720 11.176 -2.192 -40.812 1.00 0.00 H new ATOM 0 HB3 LEU A 720 10.442 -0.613 -40.613 1.00 0.00 H new ATOM 0 HG LEU A 720 12.017 -0.517 -42.427 1.00 0.00 H new ATOM 0 HD11 LEU A 720 13.521 1.273 -41.650 1.00 0.00 H new ATOM 0 HD12 LEU A 720 11.872 1.474 -41.013 1.00 0.00 H new ATOM 0 HD13 LEU A 720 13.160 0.838 -39.963 1.00 0.00 H new ATOM 0 HD21 LEU A 720 14.416 -0.980 -42.109 1.00 0.00 H new ATOM 0 HD22 LEU A 720 14.089 -1.503 -40.439 1.00 0.00 H new ATOM 0 HD23 LEU A 720 13.419 -2.424 -41.807 1.00 0.00 H new ATOM 145 N TYR A 721 9.938 0.289 -38.330 1.00 0.00 N ATOM 146 CA TYR A 721 9.342 1.473 -37.721 1.00 0.00 C ATOM 147 C TYR A 721 8.651 1.118 -36.408 1.00 0.00 C ATOM 148 O TYR A 721 7.422 1.117 -36.319 1.00 0.00 O ATOM 149 CB TYR A 721 8.340 2.116 -38.682 1.00 0.00 C ATOM 150 CG TYR A 721 8.988 2.779 -39.877 1.00 0.00 C ATOM 151 CD1 TYR A 721 9.402 2.030 -40.971 1.00 0.00 C ATOM 152 CD2 TYR A 721 9.183 4.154 -39.912 1.00 0.00 C ATOM 153 CE1 TYR A 721 9.994 2.631 -42.065 1.00 0.00 C ATOM 154 CE2 TYR A 721 9.773 4.763 -41.003 1.00 0.00 C ATOM 155 CZ TYR A 721 10.176 3.998 -42.076 1.00 0.00 C ATOM 156 OH TYR A 721 10.764 4.601 -43.164 1.00 0.00 O ATOM 0 H TYR A 721 9.265 -0.359 -38.739 1.00 0.00 H new ATOM 0 HA TYR A 721 10.140 2.185 -37.510 1.00 0.00 H new ATOM 0 HB2 TYR A 721 7.645 1.353 -39.033 1.00 0.00 H new ATOM 0 HB3 TYR A 721 7.753 2.857 -38.140 1.00 0.00 H new ATOM 0 HD1 TYR A 721 9.259 0.960 -40.966 1.00 0.00 H new ATOM 0 HD2 TYR A 721 8.868 4.757 -39.073 1.00 0.00 H new ATOM 0 HE1 TYR A 721 10.312 2.034 -42.907 1.00 0.00 H new ATOM 0 HE2 TYR A 721 9.918 5.833 -41.015 1.00 0.00 H new ATOM 0 HH TYR A 721 10.817 5.568 -43.013 1.00 0.00 H new ATOM 166 N SER A 722 9.448 0.816 -35.388 1.00 0.00 N ATOM 167 CA SER A 722 8.915 0.461 -34.076 1.00 0.00 C ATOM 168 C SER A 722 7.998 1.557 -33.540 1.00 0.00 C ATOM 169 O SER A 722 7.117 1.297 -32.722 1.00 0.00 O ATOM 170 CB SER A 722 10.055 0.207 -33.090 1.00 0.00 C ATOM 171 OG SER A 722 10.731 -1.001 -33.392 1.00 0.00 O ATOM 0 H SER A 722 10.466 0.810 -35.444 1.00 0.00 H new ATOM 0 HA SER A 722 8.330 -0.452 -34.188 1.00 0.00 H new ATOM 0 HB2 SER A 722 10.759 1.039 -33.121 1.00 0.00 H new ATOM 0 HB3 SER A 722 9.659 0.162 -32.075 1.00 0.00 H new ATOM 0 HG SER A 722 11.457 -1.140 -32.748 1.00 0.00 H new ATOM 177 N ASP A 723 8.209 2.786 -34.006 1.00 0.00 N ATOM 178 CA ASP A 723 7.397 3.916 -33.569 1.00 0.00 C ATOM 179 C ASP A 723 5.947 3.742 -34.009 1.00 0.00 C ATOM 180 O ASP A 723 5.033 3.736 -33.186 1.00 0.00 O ATOM 181 CB ASP A 723 7.960 5.224 -34.132 1.00 0.00 C ATOM 182 CG ASP A 723 9.259 5.629 -33.463 1.00 0.00 C ATOM 183 OD1 ASP A 723 9.488 5.212 -32.307 1.00 0.00 O ATOM 184 OD2 ASP A 723 10.048 6.364 -34.094 1.00 0.00 O ATOM 0 H ASP A 723 8.933 3.023 -34.684 1.00 0.00 H new ATOM 0 HA ASP A 723 7.427 3.955 -32.480 1.00 0.00 H new ATOM 0 HB2 ASP A 723 8.125 5.114 -35.204 1.00 0.00 H new ATOM 0 HB3 ASP A 723 7.225 6.018 -34.003 1.00 0.00 H new ATOM 189 N TYR A 724 5.747 3.594 -35.315 1.00 0.00 N ATOM 190 CA TYR A 724 4.413 3.415 -35.871 1.00 0.00 C ATOM 191 C TYR A 724 3.837 2.062 -35.461 1.00 0.00 C ATOM 192 O TYR A 724 2.625 1.914 -35.303 1.00 0.00 O ATOM 193 CB TYR A 724 4.463 3.538 -37.400 1.00 0.00 C ATOM 194 CG TYR A 724 3.372 2.771 -38.116 1.00 0.00 C ATOM 195 CD1 TYR A 724 3.507 1.411 -38.364 1.00 0.00 C ATOM 196 CD2 TYR A 724 2.211 3.404 -38.537 1.00 0.00 C ATOM 197 CE1 TYR A 724 2.515 0.703 -39.012 1.00 0.00 C ATOM 198 CE2 TYR A 724 1.214 2.703 -39.186 1.00 0.00 C ATOM 199 CZ TYR A 724 1.370 1.353 -39.421 1.00 0.00 C ATOM 200 OH TYR A 724 0.378 0.653 -40.067 1.00 0.00 O ATOM 0 H TYR A 724 6.495 3.595 -36.008 1.00 0.00 H new ATOM 0 HA TYR A 724 3.761 4.194 -35.476 1.00 0.00 H new ATOM 0 HB2 TYR A 724 4.391 4.591 -37.672 1.00 0.00 H new ATOM 0 HB3 TYR A 724 5.432 3.184 -37.751 1.00 0.00 H new ATOM 0 HD1 TYR A 724 4.403 0.899 -38.045 1.00 0.00 H new ATOM 0 HD2 TYR A 724 2.085 4.461 -38.354 1.00 0.00 H new ATOM 0 HE1 TYR A 724 2.635 -0.354 -39.198 1.00 0.00 H new ATOM 0 HE2 TYR A 724 0.316 3.210 -39.508 1.00 0.00 H new ATOM 0 HH TYR A 724 -0.360 1.259 -40.286 1.00 0.00 H new ATOM 210 N VAL A 725 4.713 1.079 -35.294 1.00 0.00 N ATOM 211 CA VAL A 725 4.295 -0.263 -34.907 1.00 0.00 C ATOM 212 C VAL A 725 3.984 -0.331 -33.413 1.00 0.00 C ATOM 213 O VAL A 725 3.118 -1.094 -32.985 1.00 0.00 O ATOM 214 CB VAL A 725 5.381 -1.302 -35.258 1.00 0.00 C ATOM 215 CG1 VAL A 725 5.027 -2.676 -34.701 1.00 0.00 C ATOM 216 CG2 VAL A 725 5.583 -1.366 -36.766 1.00 0.00 C ATOM 0 H VAL A 725 5.719 1.186 -35.421 1.00 0.00 H new ATOM 0 HA VAL A 725 3.389 -0.497 -35.466 1.00 0.00 H new ATOM 0 HB VAL A 725 6.316 -0.987 -34.795 1.00 0.00 H new ATOM 0 HG11 VAL A 725 5.810 -3.388 -34.964 1.00 0.00 H new ATOM 0 HG12 VAL A 725 4.939 -2.617 -33.616 1.00 0.00 H new ATOM 0 HG13 VAL A 725 4.079 -3.007 -35.124 1.00 0.00 H new ATOM 0 HG21 VAL A 725 6.352 -2.103 -36.999 1.00 0.00 H new ATOM 0 HG22 VAL A 725 4.648 -1.653 -37.247 1.00 0.00 H new ATOM 0 HG23 VAL A 725 5.894 -0.388 -37.133 1.00 0.00 H new ATOM 226 N ASP A 726 4.691 0.472 -32.628 1.00 0.00 N ATOM 227 CA ASP A 726 4.488 0.504 -31.185 1.00 0.00 C ATOM 228 C ASP A 726 3.052 0.894 -30.847 1.00 0.00 C ATOM 229 O ASP A 726 2.528 0.523 -29.796 1.00 0.00 O ATOM 230 CB ASP A 726 5.463 1.484 -30.530 1.00 0.00 C ATOM 231 CG ASP A 726 6.731 0.805 -30.053 1.00 0.00 C ATOM 232 OD1 ASP A 726 7.099 -0.239 -30.630 1.00 0.00 O ATOM 233 OD2 ASP A 726 7.359 1.320 -29.103 1.00 0.00 O ATOM 0 H ASP A 726 5.411 1.110 -32.967 1.00 0.00 H new ATOM 0 HA ASP A 726 4.676 -0.497 -30.796 1.00 0.00 H new ATOM 0 HB2 ASP A 726 5.720 2.268 -31.243 1.00 0.00 H new ATOM 0 HB3 ASP A 726 4.974 1.969 -29.685 1.00 0.00 H new ATOM 238 N VAL A 727 2.421 1.645 -31.744 1.00 0.00 N ATOM 239 CA VAL A 727 1.047 2.085 -31.541 1.00 0.00 C ATOM 240 C VAL A 727 0.100 0.896 -31.420 1.00 0.00 C ATOM 241 O VAL A 727 -0.929 0.974 -30.748 1.00 0.00 O ATOM 242 CB VAL A 727 0.569 2.990 -32.694 1.00 0.00 C ATOM 243 CG1 VAL A 727 -0.806 3.565 -32.391 1.00 0.00 C ATOM 244 CG2 VAL A 727 1.574 4.105 -32.953 1.00 0.00 C ATOM 0 H VAL A 727 2.840 1.961 -32.618 1.00 0.00 H new ATOM 0 HA VAL A 727 1.033 2.654 -30.612 1.00 0.00 H new ATOM 0 HB VAL A 727 0.493 2.383 -33.596 1.00 0.00 H new ATOM 0 HG11 VAL A 727 -1.125 4.201 -33.217 1.00 0.00 H new ATOM 0 HG12 VAL A 727 -1.520 2.752 -32.262 1.00 0.00 H new ATOM 0 HG13 VAL A 727 -0.760 4.155 -31.476 1.00 0.00 H new ATOM 0 HG21 VAL A 727 1.219 4.733 -33.770 1.00 0.00 H new ATOM 0 HG22 VAL A 727 1.686 4.710 -32.053 1.00 0.00 H new ATOM 0 HG23 VAL A 727 2.537 3.671 -33.221 1.00 0.00 H new ATOM 254 N PHE A 728 0.454 -0.206 -32.073 1.00 0.00 N ATOM 255 CA PHE A 728 -0.363 -1.413 -32.037 1.00 0.00 C ATOM 256 C PHE A 728 -0.123 -2.194 -30.749 1.00 0.00 C ATOM 257 O PHE A 728 -1.018 -2.876 -30.249 1.00 0.00 O ATOM 258 CB PHE A 728 -0.060 -2.297 -33.247 1.00 0.00 C ATOM 259 CG PHE A 728 -0.428 -1.665 -34.559 1.00 0.00 C ATOM 260 CD1 PHE A 728 0.446 -0.795 -35.194 1.00 0.00 C ATOM 261 CD2 PHE A 728 -1.646 -1.940 -35.158 1.00 0.00 C ATOM 262 CE1 PHE A 728 0.109 -0.211 -36.400 1.00 0.00 C ATOM 263 CE2 PHE A 728 -1.988 -1.359 -36.365 1.00 0.00 C ATOM 264 CZ PHE A 728 -1.109 -0.494 -36.987 1.00 0.00 C ATOM 0 H PHE A 728 1.302 -0.288 -32.634 1.00 0.00 H new ATOM 0 HA PHE A 728 -1.410 -1.113 -32.069 1.00 0.00 H new ATOM 0 HB2 PHE A 728 1.003 -2.537 -33.254 1.00 0.00 H new ATOM 0 HB3 PHE A 728 -0.599 -3.239 -33.143 1.00 0.00 H new ATOM 0 HD1 PHE A 728 1.400 -0.572 -34.741 1.00 0.00 H new ATOM 0 HD2 PHE A 728 -2.337 -2.616 -34.677 1.00 0.00 H new ATOM 0 HE1 PHE A 728 0.797 0.466 -36.883 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -2.941 -1.581 -36.821 1.00 0.00 H new ATOM 0 HZ PHE A 728 -1.373 -0.040 -37.930 1.00 0.00 H new ATOM 274 N TYR A 729 1.091 -2.091 -30.217 1.00 0.00 N ATOM 275 CA TYR A 729 1.448 -2.788 -28.988 1.00 0.00 C ATOM 276 C TYR A 729 0.555 -2.346 -27.832 1.00 0.00 C ATOM 277 O TYR A 729 -0.246 -3.127 -27.320 1.00 0.00 O ATOM 278 CB TYR A 729 2.916 -2.535 -28.641 1.00 0.00 C ATOM 279 CG TYR A 729 3.578 -3.691 -27.927 1.00 0.00 C ATOM 280 CD1 TYR A 729 2.951 -4.328 -26.863 1.00 0.00 C ATOM 281 CD2 TYR A 729 4.833 -4.146 -28.315 1.00 0.00 C ATOM 282 CE1 TYR A 729 3.553 -5.386 -26.209 1.00 0.00 C ATOM 283 CE2 TYR A 729 5.442 -5.203 -27.664 1.00 0.00 C ATOM 284 CZ TYR A 729 4.798 -5.818 -26.613 1.00 0.00 C ATOM 285 OH TYR A 729 5.402 -6.872 -25.962 1.00 0.00 O ATOM 0 H TYR A 729 1.843 -1.531 -30.618 1.00 0.00 H new ATOM 0 HA TYR A 729 1.300 -3.856 -29.149 1.00 0.00 H new ATOM 0 HB2 TYR A 729 3.466 -2.323 -29.558 1.00 0.00 H new ATOM 0 HB3 TYR A 729 2.984 -1.645 -28.015 1.00 0.00 H new ATOM 0 HD1 TYR A 729 1.977 -3.990 -26.542 1.00 0.00 H new ATOM 0 HD2 TYR A 729 5.341 -3.666 -29.139 1.00 0.00 H new ATOM 0 HE1 TYR A 729 3.051 -5.872 -25.386 1.00 0.00 H new ATOM 0 HE2 TYR A 729 6.417 -5.545 -27.978 1.00 0.00 H new ATOM 0 HH TYR A 729 6.275 -7.052 -26.370 1.00 0.00 H new ATOM 295 N ASN A 730 0.701 -1.089 -27.428 1.00 0.00 N ATOM 296 CA ASN A 730 -0.093 -0.542 -26.334 1.00 0.00 C ATOM 297 C ASN A 730 0.137 -1.328 -25.047 1.00 0.00 C ATOM 298 O ASN A 730 -0.372 -2.438 -24.888 1.00 0.00 O ATOM 299 CB ASN A 730 -1.579 -0.556 -26.696 1.00 0.00 C ATOM 300 CG ASN A 730 -2.024 0.729 -27.364 1.00 0.00 C ATOM 301 OD1 ASN A 730 -1.390 1.206 -28.305 1.00 0.00 O ATOM 302 ND2 ASN A 730 -3.121 1.299 -26.878 1.00 0.00 N ATOM 0 H ASN A 730 1.361 -0.430 -27.841 1.00 0.00 H new ATOM 0 HA ASN A 730 0.223 0.488 -26.170 1.00 0.00 H new ATOM 0 HB2 ASN A 730 -1.780 -1.396 -27.361 1.00 0.00 H new ATOM 0 HB3 ASN A 730 -2.168 -0.716 -25.793 1.00 0.00 H new ATOM 0 HD21 ASN A 730 -3.469 2.167 -27.286 1.00 0.00 H new ATOM 0 HD22 ASN A 730 -3.616 0.869 -26.096 1.00 0.00 H new ATOM 309 N THR A 731 0.906 -0.745 -24.132 1.00 0.00 N ATOM 310 CA THR A 731 1.201 -1.392 -22.860 1.00 0.00 C ATOM 311 C THR A 731 0.444 -0.719 -21.718 1.00 0.00 C ATOM 312 O THR A 731 -0.458 -1.309 -21.125 1.00 0.00 O ATOM 313 CB THR A 731 2.705 -1.355 -22.581 1.00 0.00 C ATOM 314 OG1 THR A 731 3.298 -0.217 -23.184 1.00 0.00 O ATOM 315 CG2 THR A 731 3.438 -2.578 -23.090 1.00 0.00 C ATOM 0 H THR A 731 1.335 0.173 -24.248 1.00 0.00 H new ATOM 0 HA THR A 731 0.876 -2.430 -22.926 1.00 0.00 H new ATOM 0 HB THR A 731 2.798 -1.321 -21.495 1.00 0.00 H new ATOM 0 HG1 THR A 731 4.167 -0.464 -23.564 1.00 0.00 H new ATOM 0 HG21 THR A 731 4.500 -2.488 -22.860 1.00 0.00 H new ATOM 0 HG22 THR A 731 3.037 -3.470 -22.608 1.00 0.00 H new ATOM 0 HG23 THR A 731 3.306 -2.658 -24.169 1.00 0.00 H new ATOM 323 N LYS A 732 0.817 0.522 -21.419 1.00 0.00 N ATOM 324 CA LYS A 732 0.172 1.276 -20.350 1.00 0.00 C ATOM 325 C LYS A 732 0.178 2.772 -20.660 1.00 0.00 C ATOM 326 O LYS A 732 1.100 3.277 -21.300 1.00 0.00 O ATOM 327 CB LYS A 732 0.879 1.017 -19.018 1.00 0.00 C ATOM 328 CG LYS A 732 0.315 -0.168 -18.251 1.00 0.00 C ATOM 329 CD LYS A 732 1.387 -0.858 -17.425 1.00 0.00 C ATOM 330 CE LYS A 732 1.937 -2.083 -18.136 1.00 0.00 C ATOM 331 NZ LYS A 732 1.291 -3.338 -17.662 1.00 0.00 N ATOM 0 H LYS A 732 1.561 1.026 -21.901 1.00 0.00 H new ATOM 0 HA LYS A 732 -0.863 0.942 -20.276 1.00 0.00 H new ATOM 0 HB2 LYS A 732 1.939 0.846 -19.206 1.00 0.00 H new ATOM 0 HB3 LYS A 732 0.805 1.910 -18.397 1.00 0.00 H new ATOM 0 HG2 LYS A 732 -0.489 0.170 -17.597 1.00 0.00 H new ATOM 0 HG3 LYS A 732 -0.122 -0.881 -18.950 1.00 0.00 H new ATOM 0 HD2 LYS A 732 2.198 -0.159 -17.223 1.00 0.00 H new ATOM 0 HD3 LYS A 732 0.972 -1.152 -16.461 1.00 0.00 H new ATOM 0 HE2 LYS A 732 1.783 -1.979 -19.210 1.00 0.00 H new ATOM 0 HE3 LYS A 732 3.013 -2.145 -17.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 1.694 -4.150 -18.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 1.459 -3.451 -16.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 0.268 -3.291 -17.841 1.00 0.00 H new ATOM 345 N PRO A 733 -0.857 3.501 -20.208 1.00 0.00 N ATOM 346 CA PRO A 733 -0.965 4.946 -20.442 1.00 0.00 C ATOM 347 C PRO A 733 0.044 5.742 -19.621 1.00 0.00 C ATOM 348 O PRO A 733 0.699 6.649 -20.137 1.00 0.00 O ATOM 349 CB PRO A 733 -2.392 5.268 -19.997 1.00 0.00 C ATOM 350 CG PRO A 733 -2.723 4.220 -18.992 1.00 0.00 C ATOM 351 CD PRO A 733 -1.999 2.978 -19.436 1.00 0.00 C ATOM 0 HA PRO A 733 -0.757 5.210 -21.479 1.00 0.00 H new ATOM 0 HB2 PRO A 733 -2.455 6.266 -19.563 1.00 0.00 H new ATOM 0 HB3 PRO A 733 -3.084 5.242 -20.839 1.00 0.00 H new ATOM 0 HG2 PRO A 733 -2.405 4.522 -17.994 1.00 0.00 H new ATOM 0 HG3 PRO A 733 -3.799 4.049 -18.946 1.00 0.00 H new ATOM 0 HD2 PRO A 733 -1.669 2.381 -18.586 1.00 0.00 H new ATOM 0 HD3 PRO A 733 -2.637 2.339 -20.046 1.00 0.00 H new ATOM 359 N TYR A 734 0.162 5.400 -18.343 1.00 0.00 N ATOM 360 CA TYR A 734 1.090 6.085 -17.452 1.00 0.00 C ATOM 361 C TYR A 734 2.326 5.230 -17.189 1.00 0.00 C ATOM 362 O TYR A 734 3.419 5.751 -16.966 1.00 0.00 O ATOM 363 CB TYR A 734 0.403 6.426 -16.129 1.00 0.00 C ATOM 364 CG TYR A 734 0.863 7.734 -15.526 1.00 0.00 C ATOM 365 CD1 TYR A 734 2.155 7.878 -15.032 1.00 0.00 C ATOM 366 CD2 TYR A 734 0.007 8.825 -15.447 1.00 0.00 C ATOM 367 CE1 TYR A 734 2.579 9.072 -14.481 1.00 0.00 C ATOM 368 CE2 TYR A 734 0.424 10.022 -14.897 1.00 0.00 C ATOM 369 CZ TYR A 734 1.710 10.140 -14.414 1.00 0.00 C ATOM 370 OH TYR A 734 2.129 11.330 -13.867 1.00 0.00 O ATOM 0 H TYR A 734 -0.373 4.653 -17.901 1.00 0.00 H new ATOM 0 HA TYR A 734 1.405 7.008 -17.939 1.00 0.00 H new ATOM 0 HB2 TYR A 734 -0.674 6.469 -16.289 1.00 0.00 H new ATOM 0 HB3 TYR A 734 0.587 5.622 -15.416 1.00 0.00 H new ATOM 0 HD1 TYR A 734 2.838 7.043 -15.080 1.00 0.00 H new ATOM 0 HD2 TYR A 734 -1.002 8.736 -15.822 1.00 0.00 H new ATOM 0 HE1 TYR A 734 3.587 9.168 -14.105 1.00 0.00 H new ATOM 0 HE2 TYR A 734 -0.254 10.861 -14.846 1.00 0.00 H new ATOM 0 HH TYR A 734 1.396 11.980 -13.897 1.00 0.00 H new ATOM 380 N LYS A 735 2.145 3.913 -17.219 1.00 0.00 N ATOM 381 CA LYS A 735 3.245 2.983 -16.984 1.00 0.00 C ATOM 382 C LYS A 735 3.806 3.150 -15.575 1.00 0.00 C ATOM 383 O LYS A 735 4.999 2.946 -15.342 1.00 0.00 O ATOM 384 CB LYS A 735 4.352 3.199 -18.019 1.00 0.00 C ATOM 385 CG LYS A 735 4.734 1.934 -18.772 1.00 0.00 C ATOM 386 CD LYS A 735 5.484 2.254 -20.055 1.00 0.00 C ATOM 387 CE LYS A 735 5.034 1.362 -21.201 1.00 0.00 C ATOM 388 NZ LYS A 735 4.995 2.096 -22.495 1.00 0.00 N ATOM 0 H LYS A 735 1.247 3.466 -17.404 1.00 0.00 H new ATOM 0 HA LYS A 735 2.860 1.968 -17.083 1.00 0.00 H new ATOM 0 HB2 LYS A 735 4.027 3.954 -18.735 1.00 0.00 H new ATOM 0 HB3 LYS A 735 5.235 3.594 -17.517 1.00 0.00 H new ATOM 0 HG2 LYS A 735 5.354 1.303 -18.135 1.00 0.00 H new ATOM 0 HG3 LYS A 735 3.835 1.364 -19.007 1.00 0.00 H new ATOM 0 HD2 LYS A 735 5.323 3.299 -20.321 1.00 0.00 H new ATOM 0 HD3 LYS A 735 6.554 2.128 -19.893 1.00 0.00 H new ATOM 0 HE2 LYS A 735 5.711 0.512 -21.286 1.00 0.00 H new ATOM 0 HE3 LYS A 735 4.045 0.961 -20.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 4.410 1.570 -23.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 4.587 3.041 -22.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.961 2.191 -22.870 1.00 0.00 H new ATOM 402 N HIS A 736 2.940 3.525 -14.639 1.00 0.00 N ATOM 403 CA HIS A 736 3.349 3.718 -13.253 1.00 0.00 C ATOM 404 C HIS A 736 2.150 4.063 -12.374 1.00 0.00 C ATOM 405 O HIS A 736 1.451 5.047 -12.618 1.00 0.00 O ATOM 406 CB HIS A 736 4.399 4.828 -13.158 1.00 0.00 C ATOM 407 CG HIS A 736 4.989 4.978 -11.792 1.00 0.00 C ATOM 408 ND1 HIS A 736 4.916 6.148 -11.064 1.00 0.00 N ATOM 409 CD2 HIS A 736 5.668 4.099 -11.016 1.00 0.00 C ATOM 410 CE1 HIS A 736 5.523 5.982 -9.904 1.00 0.00 C ATOM 411 NE2 HIS A 736 5.987 4.747 -9.849 1.00 0.00 N ATOM 0 H HIS A 736 1.951 3.701 -14.815 1.00 0.00 H new ATOM 0 HA HIS A 736 3.783 2.784 -12.896 1.00 0.00 H new ATOM 0 HB2 HIS A 736 5.199 4.622 -13.870 1.00 0.00 H new ATOM 0 HB3 HIS A 736 3.944 5.773 -13.454 1.00 0.00 H new ATOM 0 HD2 HIS A 736 5.913 3.078 -11.269 1.00 0.00 H new ATOM 0 HE1 HIS A 736 5.623 6.729 -9.131 1.00 0.00 H new ATOM 0 HE2 HIS A 736 6.499 4.341 -9.066 1.00 0.00 H new ATOM 420 N ARG A 737 1.918 3.247 -11.351 1.00 0.00 N ATOM 421 CA ARG A 737 0.805 3.465 -10.437 1.00 0.00 C ATOM 422 C ARG A 737 -0.527 3.423 -11.179 1.00 0.00 C ATOM 423 O ARG A 737 -1.482 4.099 -10.799 1.00 0.00 O ATOM 424 CB ARG A 737 0.961 4.808 -9.721 1.00 0.00 C ATOM 425 CG ARG A 737 2.088 4.829 -8.702 1.00 0.00 C ATOM 426 CD ARG A 737 1.970 6.019 -7.764 1.00 0.00 C ATOM 427 NE ARG A 737 2.667 5.791 -6.500 1.00 0.00 N ATOM 428 CZ ARG A 737 2.293 4.884 -5.600 1.00 0.00 C ATOM 429 NH1 ARG A 737 1.230 4.120 -5.819 1.00 0.00 N ATOM 430 NH2 ARG A 737 2.983 4.742 -4.477 1.00 0.00 N ATOM 0 H ARG A 737 2.487 2.428 -11.135 1.00 0.00 H new ATOM 0 HA ARG A 737 0.813 2.664 -9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 737 1.139 5.587 -10.463 1.00 0.00 H new ATOM 0 HB3 ARG A 737 0.025 5.053 -9.220 1.00 0.00 H new ATOM 0 HG2 ARG A 737 2.074 3.906 -8.123 1.00 0.00 H new ATOM 0 HG3 ARG A 737 3.047 4.866 -9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 737 2.380 6.905 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 737 0.917 6.222 -7.566 1.00 0.00 H new ATOM 0 HE ARG A 737 3.488 6.360 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 737 0.695 4.226 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 737 0.949 3.427 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 737 3.800 5.327 -4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 737 2.697 4.047 -3.787 1.00 0.00 H new ATOM 444 N ASP A 738 -0.582 2.624 -12.239 1.00 0.00 N ATOM 445 CA ASP A 738 -1.797 2.494 -13.036 1.00 0.00 C ATOM 446 C ASP A 738 -2.861 1.704 -12.279 1.00 0.00 C ATOM 447 O ASP A 738 -4.057 1.941 -12.444 1.00 0.00 O ATOM 448 CB ASP A 738 -1.489 1.808 -14.367 1.00 0.00 C ATOM 449 CG ASP A 738 -2.701 1.737 -15.275 1.00 0.00 C ATOM 450 OD1 ASP A 738 -3.741 1.203 -14.836 1.00 0.00 O ATOM 451 OD2 ASP A 738 -2.611 2.215 -16.426 1.00 0.00 O ATOM 0 H ASP A 738 0.200 2.057 -12.566 1.00 0.00 H new ATOM 0 HA ASP A 738 -2.182 3.495 -13.232 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -0.690 2.348 -14.874 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -1.122 0.800 -14.176 1.00 0.00 H new ATOM 456 N ASP A 739 -2.415 0.768 -11.448 1.00 0.00 N ATOM 457 CA ASP A 739 -3.329 -0.057 -10.664 1.00 0.00 C ATOM 458 C ASP A 739 -4.178 0.803 -9.735 1.00 0.00 C ATOM 459 O ASP A 739 -5.314 0.453 -9.414 1.00 0.00 O ATOM 460 CB ASP A 739 -2.546 -1.088 -9.851 1.00 0.00 C ATOM 461 CG ASP A 739 -2.254 -2.348 -10.643 1.00 0.00 C ATOM 462 OD1 ASP A 739 -1.232 -2.374 -11.360 1.00 0.00 O ATOM 463 OD2 ASP A 739 -3.047 -3.308 -10.546 1.00 0.00 O ATOM 0 H ASP A 739 -1.427 0.561 -11.300 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.993 -0.577 -11.354 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.607 -0.646 -9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -3.112 -1.347 -8.956 1.00 0.00 H new ATOM 468 N ARG A 740 -3.619 1.931 -9.304 1.00 0.00 N ATOM 469 CA ARG A 740 -4.326 2.841 -8.409 1.00 0.00 C ATOM 470 C ARG A 740 -5.628 3.324 -9.042 1.00 0.00 C ATOM 471 O ARG A 740 -6.610 3.580 -8.345 1.00 0.00 O ATOM 472 CB ARG A 740 -3.440 4.037 -8.060 1.00 0.00 C ATOM 473 CG ARG A 740 -3.735 4.635 -6.693 1.00 0.00 C ATOM 474 CD ARG A 740 -4.385 6.005 -6.809 1.00 0.00 C ATOM 475 NE ARG A 740 -5.834 5.941 -6.650 1.00 0.00 N ATOM 476 CZ ARG A 740 -6.634 7.004 -6.691 1.00 0.00 C ATOM 477 NH1 ARG A 740 -6.128 8.216 -6.887 1.00 0.00 N ATOM 478 NH2 ARG A 740 -7.942 6.856 -6.538 1.00 0.00 N ATOM 0 H ARG A 740 -2.680 2.236 -9.560 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.567 2.298 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.396 3.727 -8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.569 4.808 -8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -4.392 3.966 -6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -2.809 4.718 -6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -3.967 6.669 -6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -4.146 6.438 -7.780 1.00 0.00 H new ATOM 0 HE ARG A 740 -6.260 5.027 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -5.122 8.335 -7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -6.745 9.027 -6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -8.336 5.927 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -8.555 7.671 -6.569 1.00 0.00 H new ATOM 492 N LEU A 741 -5.629 3.448 -10.364 1.00 0.00 N ATOM 493 CA LEU A 741 -6.811 3.900 -11.087 1.00 0.00 C ATOM 494 C LEU A 741 -7.962 2.916 -10.906 1.00 0.00 C ATOM 495 O LEU A 741 -9.112 3.316 -10.732 1.00 0.00 O ATOM 496 CB LEU A 741 -6.496 4.068 -12.574 1.00 0.00 C ATOM 497 CG LEU A 741 -5.800 5.379 -12.943 1.00 0.00 C ATOM 498 CD1 LEU A 741 -4.291 5.230 -12.836 1.00 0.00 C ATOM 499 CD2 LEU A 741 -6.196 5.815 -14.346 1.00 0.00 C ATOM 0 H LEU A 741 -4.825 3.242 -10.957 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.110 4.865 -10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.866 3.237 -12.893 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.426 3.997 -13.137 1.00 0.00 H new ATOM 0 HG LEU A 741 -6.119 6.149 -12.240 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -3.813 6.173 -13.102 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.023 4.963 -11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -3.954 4.447 -13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.692 6.749 -14.593 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.905 5.046 -15.062 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.275 5.962 -14.390 1.00 0.00 H new ATOM 511 N LEU A 742 -7.642 1.626 -10.939 1.00 0.00 N ATOM 512 CA LEU A 742 -8.649 0.586 -10.773 1.00 0.00 C ATOM 513 C LEU A 742 -9.353 0.733 -9.428 1.00 0.00 C ATOM 514 O LEU A 742 -10.548 0.462 -9.309 1.00 0.00 O ATOM 515 CB LEU A 742 -8.008 -0.799 -10.878 1.00 0.00 C ATOM 516 CG LEU A 742 -7.893 -1.351 -12.300 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.600 -0.884 -12.951 1.00 0.00 C ATOM 518 CD2 LEU A 742 -7.965 -2.871 -12.288 1.00 0.00 C ATOM 0 H LEU A 742 -6.694 1.277 -11.079 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.387 0.694 -11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -7.011 -0.756 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.590 -1.499 -10.278 1.00 0.00 H new ATOM 0 HG LEU A 742 -8.730 -0.970 -12.886 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -6.536 -1.287 -13.962 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -6.586 0.205 -12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -5.750 -1.236 -12.366 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -7.882 -3.247 -13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -7.148 -3.269 -11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -8.917 -3.187 -11.861 1.00 0.00 H new ATOM 530 N GLN A 743 -8.605 1.168 -8.420 1.00 0.00 N ATOM 531 CA GLN A 743 -9.159 1.357 -7.087 1.00 0.00 C ATOM 532 C GLN A 743 -10.259 2.415 -7.107 1.00 0.00 C ATOM 533 O GLN A 743 -11.333 2.218 -6.539 1.00 0.00 O ATOM 534 CB GLN A 743 -8.059 1.765 -6.104 1.00 0.00 C ATOM 535 CG GLN A 743 -7.410 0.587 -5.397 1.00 0.00 C ATOM 536 CD GLN A 743 -6.493 -0.206 -6.307 1.00 0.00 C ATOM 537 OE1 GLN A 743 -7.078 -0.905 -7.272 1.00 0.00 O flip ATOM 538 NE2 GLN A 743 -5.272 -0.192 -6.145 1.00 0.00 N flip ATOM 0 H GLN A 743 -7.614 1.396 -8.502 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.591 0.411 -6.760 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.292 2.324 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.481 2.439 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.841 0.950 -4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -8.187 -0.071 -5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -4.864 0.359 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -4.669 -0.732 -6.766 1.00 0.00 H new ATOM 547 N ALA A 744 -9.982 3.536 -7.765 1.00 0.00 N ATOM 548 CA ALA A 744 -10.946 4.622 -7.860 1.00 0.00 C ATOM 549 C ALA A 744 -12.116 4.238 -8.759 1.00 0.00 C ATOM 550 O ALA A 744 -13.278 4.423 -8.395 1.00 0.00 O ATOM 551 CB ALA A 744 -10.272 5.885 -8.376 1.00 0.00 C ATOM 0 H ALA A 744 -9.097 3.714 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.337 4.817 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.006 6.688 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.475 6.177 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.852 5.696 -9.364 1.00 0.00 H new ATOM 557 N LEU A 745 -11.803 3.700 -9.934 1.00 0.00 N ATOM 558 CA LEU A 745 -12.830 3.287 -10.881 1.00 0.00 C ATOM 559 C LEU A 745 -13.710 2.197 -10.277 1.00 0.00 C ATOM 560 O LEU A 745 -14.934 2.240 -10.389 1.00 0.00 O ATOM 561 CB LEU A 745 -12.189 2.782 -12.178 1.00 0.00 C ATOM 562 CG LEU A 745 -11.144 3.716 -12.794 1.00 0.00 C ATOM 563 CD1 LEU A 745 -10.060 2.914 -13.502 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.805 4.689 -13.759 1.00 0.00 C ATOM 0 H LEU A 745 -10.847 3.540 -10.252 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.452 4.153 -11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.721 1.818 -11.982 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.977 2.610 -12.911 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.678 4.288 -11.992 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.327 3.595 -13.933 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.567 2.257 -12.786 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.509 2.315 -14.294 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -11.049 5.346 -14.188 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.297 4.133 -14.557 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.543 5.287 -13.224 1.00 0.00 H new ATOM 576 N MET A 746 -13.074 1.223 -9.634 1.00 0.00 N ATOM 577 CA MET A 746 -13.797 0.123 -9.007 1.00 0.00 C ATOM 578 C MET A 746 -14.576 0.607 -7.789 1.00 0.00 C ATOM 579 O MET A 746 -15.600 0.027 -7.425 1.00 0.00 O ATOM 580 CB MET A 746 -12.827 -0.987 -8.600 1.00 0.00 C ATOM 581 CG MET A 746 -12.179 -1.693 -9.780 1.00 0.00 C ATOM 582 SD MET A 746 -13.036 -3.215 -10.234 1.00 0.00 S ATOM 583 CE MET A 746 -11.813 -4.440 -9.775 1.00 0.00 C ATOM 0 H MET A 746 -12.060 1.173 -9.534 1.00 0.00 H new ATOM 0 HA MET A 746 -14.506 -0.273 -9.734 1.00 0.00 H new ATOM 0 HB2 MET A 746 -12.047 -0.562 -7.968 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.361 -1.721 -7.997 1.00 0.00 H new ATOM 0 HG2 MET A 746 -12.163 -1.020 -10.637 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.142 -1.923 -9.536 1.00 0.00 H new ATOM 0 HE1 MET A 746 -12.196 -5.437 -9.995 1.00 0.00 H new ATOM 0 HE2 MET A 746 -10.897 -4.270 -10.341 1.00 0.00 H new ATOM 0 HE3 MET A 746 -11.601 -4.360 -8.709 1.00 0.00 H new ATOM 593 N ASP A 747 -14.087 1.672 -7.159 1.00 0.00 N ATOM 594 CA ASP A 747 -14.741 2.229 -5.982 1.00 0.00 C ATOM 595 C ASP A 747 -16.151 2.708 -6.316 1.00 0.00 C ATOM 596 O ASP A 747 -17.066 2.590 -5.502 1.00 0.00 O ATOM 597 CB ASP A 747 -13.918 3.387 -5.414 1.00 0.00 C ATOM 598 CG ASP A 747 -14.515 3.951 -4.139 1.00 0.00 C ATOM 599 OD1 ASP A 747 -14.958 3.152 -3.286 1.00 0.00 O ATOM 600 OD2 ASP A 747 -14.538 5.190 -3.993 1.00 0.00 O ATOM 0 H ASP A 747 -13.241 2.165 -7.445 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.813 1.441 -5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.903 3.044 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.847 4.179 -6.160 1.00 0.00 H new ATOM 605 N ILE A 748 -16.318 3.252 -7.517 1.00 0.00 N ATOM 606 CA ILE A 748 -17.615 3.749 -7.956 1.00 0.00 C ATOM 607 C ILE A 748 -18.634 2.617 -8.051 1.00 0.00 C ATOM 608 O ILE A 748 -19.729 2.706 -7.497 1.00 0.00 O ATOM 609 CB ILE A 748 -17.515 4.453 -9.323 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.425 5.527 -9.291 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.855 5.064 -9.707 1.00 0.00 C ATOM 612 CD1 ILE A 748 -16.265 6.267 -10.601 1.00 0.00 C ATOM 0 H ILE A 748 -15.571 3.359 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.946 4.471 -7.209 1.00 0.00 H new ATOM 0 HB ILE A 748 -17.247 3.711 -10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.657 6.245 -8.504 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.475 5.061 -9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.766 5.557 -10.675 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.609 4.279 -9.768 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -19.151 5.794 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -15.475 7.012 -10.504 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -16.002 5.560 -11.388 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -17.202 6.762 -10.856 1.00 0.00 H new ATOM 624 N LEU A 749 -18.265 1.553 -8.759 1.00 0.00 N ATOM 625 CA LEU A 749 -19.146 0.407 -8.926 1.00 0.00 C ATOM 626 C LEU A 749 -19.214 -0.418 -7.644 1.00 0.00 C ATOM 627 O LEU A 749 -20.257 -0.978 -7.310 1.00 0.00 O ATOM 628 CB LEU A 749 -18.668 -0.468 -10.087 1.00 0.00 C ATOM 629 CG LEU A 749 -17.242 -1.006 -9.948 1.00 0.00 C ATOM 630 CD1 LEU A 749 -17.244 -2.344 -9.225 1.00 0.00 C ATOM 631 CD2 LEU A 749 -16.589 -1.138 -11.315 1.00 0.00 C ATOM 0 H LEU A 749 -17.362 1.463 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 749 -20.146 0.779 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -19.350 -1.312 -10.191 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -18.734 0.110 -11.009 1.00 0.00 H new ATOM 0 HG LEU A 749 -16.662 -0.298 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -16.221 -2.711 -9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -17.673 -2.220 -8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -17.839 -3.062 -9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -15.575 -1.522 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -17.169 -1.826 -11.930 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -16.554 -0.161 -11.797 1.00 0.00 H new ATOM 643 N ASN A 750 -18.094 -0.487 -6.933 1.00 0.00 N ATOM 644 CA ASN A 750 -18.020 -1.239 -5.692 1.00 0.00 C ATOM 645 C ASN A 750 -18.263 -0.335 -4.487 1.00 0.00 C ATOM 646 O ASN A 750 -17.587 -0.454 -3.464 1.00 0.00 O ATOM 647 CB ASN A 750 -16.658 -1.925 -5.568 1.00 0.00 C ATOM 648 CG ASN A 750 -16.619 -2.932 -4.435 1.00 0.00 C ATOM 649 OD1 ASN A 750 -16.314 -2.587 -3.293 1.00 0.00 O ATOM 650 ND2 ASN A 750 -16.928 -4.185 -4.746 1.00 0.00 N ATOM 0 H ASN A 750 -17.223 -0.028 -7.199 1.00 0.00 H new ATOM 0 HA ASN A 750 -18.801 -1.999 -5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.421 -2.428 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -15.888 -1.171 -5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -16.919 -4.907 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -17.175 -4.426 -5.706 1.00 0.00 H new ATOM 657 N GLU A 751 -19.230 0.566 -4.613 1.00 0.00 N ATOM 658 CA GLU A 751 -19.560 1.489 -3.533 1.00 0.00 C ATOM 659 C GLU A 751 -19.975 0.731 -2.276 1.00 0.00 C ATOM 660 O GLU A 751 -19.753 1.196 -1.157 1.00 0.00 O ATOM 661 CB GLU A 751 -20.683 2.434 -3.967 1.00 0.00 C ATOM 662 CG GLU A 751 -20.186 3.694 -4.654 1.00 0.00 C ATOM 663 CD GLU A 751 -19.981 4.844 -3.688 1.00 0.00 C ATOM 664 OE1 GLU A 751 -19.059 4.758 -2.850 1.00 0.00 O ATOM 665 OE2 GLU A 751 -20.743 5.832 -3.770 1.00 0.00 O ATOM 0 H GLU A 751 -19.799 0.677 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 751 -18.669 2.074 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -21.353 1.902 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -21.269 2.714 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -19.246 3.479 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -20.902 3.992 -5.420 1.00 0.00 H new ATOM 672 N GLU A 752 -20.578 -0.438 -2.467 1.00 0.00 N ATOM 673 CA GLU A 752 -21.023 -1.260 -1.348 1.00 0.00 C ATOM 674 C GLU A 752 -22.054 -0.518 -0.503 1.00 0.00 C ATOM 675 O GLU A 752 -22.039 -0.597 0.726 1.00 0.00 O ATOM 676 CB GLU A 752 -19.830 -1.667 -0.480 1.00 0.00 C ATOM 677 CG GLU A 752 -19.073 -2.870 -1.014 1.00 0.00 C ATOM 678 CD GLU A 752 -17.691 -3.006 -0.405 1.00 0.00 C ATOM 679 OE1 GLU A 752 -16.825 -2.157 -0.703 1.00 0.00 O ATOM 680 OE2 GLU A 752 -17.474 -3.961 0.371 1.00 0.00 O ATOM 0 H GLU A 752 -20.770 -0.837 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 752 -21.491 -2.157 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -19.145 -0.823 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -20.183 -1.888 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -19.646 -3.775 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -18.982 -2.786 -2.097 1.00 0.00 H new ATOM 687 N ASN A 753 -22.949 0.204 -1.170 1.00 0.00 N ATOM 688 CA ASN A 753 -23.987 0.960 -0.481 1.00 0.00 C ATOM 689 C ASN A 753 -23.375 2.004 0.447 1.00 0.00 C ATOM 690 O ASN A 753 -23.228 3.167 0.015 1.00 0.00 O ATOM 691 CB ASN A 753 -24.889 0.017 0.318 1.00 0.00 C ATOM 692 CG ASN A 753 -25.358 -1.168 -0.503 1.00 0.00 C ATOM 693 OD1 ASN A 753 -24.722 -2.222 -0.512 1.00 0.00 O ATOM 694 ND2 ASN A 753 -26.476 -1.001 -1.201 1.00 0.00 N ATOM 695 OXT ASN A 753 -23.048 1.651 1.600 1.00 0.00 O ATOM 0 H ASN A 753 -22.976 0.281 -2.187 1.00 0.00 H new ATOM 0 HA ASN A 753 -24.586 1.475 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -24.349 -0.342 1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -25.755 0.569 0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -26.839 -1.764 -1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -26.972 -0.110 -1.165 1.00 0.00 H new TER 702 ASN A 753