USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=9 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 Single : A 711 SER OG : rot 180:sc= -0.194 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 -16:sc= 2.06 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 103:sc= 0.0152 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.22) USER MOD Single : A 731 THR OG1 : rot 180:sc= -0.0666 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= 0 X(o=0,f=0) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 746 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 750 ASN : amide:sc= 0.373 K(o=0.37,f=-0.35) USER MOD Single : A 753 ASN : amide:sc= -0.0988 X(o=-0.099,f=-0.003) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 8.414 -10.221 -38.925 1.00 0.00 N ATOM 2 CA SER A 711 8.409 -9.460 -40.201 1.00 0.00 C ATOM 3 C SER A 711 8.303 -7.958 -39.948 1.00 0.00 C ATOM 4 O SER A 711 9.167 -7.187 -40.361 1.00 0.00 O ATOM 5 CB SER A 711 7.226 -9.936 -41.048 1.00 0.00 C ATOM 6 OG SER A 711 5.996 -9.688 -40.393 1.00 0.00 O ATOM 0 HA SER A 711 9.346 -9.639 -40.728 1.00 0.00 H new ATOM 0 HB2 SER A 711 7.237 -9.427 -42.012 1.00 0.00 H new ATOM 0 HB3 SER A 711 7.325 -11.003 -41.250 1.00 0.00 H new ATOM 0 HG SER A 711 5.257 -10.000 -40.956 1.00 0.00 H new ATOM 14 N LYS A 712 7.237 -7.554 -39.264 1.00 0.00 N ATOM 15 CA LYS A 712 7.019 -6.145 -38.955 1.00 0.00 C ATOM 16 C LYS A 712 7.321 -5.857 -37.487 1.00 0.00 C ATOM 17 O LYS A 712 6.582 -6.277 -36.597 1.00 0.00 O ATOM 18 CB LYS A 712 5.577 -5.749 -39.277 1.00 0.00 C ATOM 19 CG LYS A 712 4.542 -6.477 -38.437 1.00 0.00 C ATOM 20 CD LYS A 712 3.268 -6.738 -39.222 1.00 0.00 C ATOM 21 CE LYS A 712 2.287 -5.585 -39.092 1.00 0.00 C ATOM 22 NZ LYS A 712 2.383 -4.640 -40.240 1.00 0.00 N ATOM 0 H LYS A 712 6.512 -8.181 -38.914 1.00 0.00 H new ATOM 0 HA LYS A 712 7.698 -5.554 -39.570 1.00 0.00 H new ATOM 0 HB2 LYS A 712 5.463 -4.675 -39.128 1.00 0.00 H new ATOM 0 HB3 LYS A 712 5.382 -5.948 -40.331 1.00 0.00 H new ATOM 0 HG2 LYS A 712 4.956 -7.423 -38.089 1.00 0.00 H new ATOM 0 HG3 LYS A 712 4.310 -5.885 -37.552 1.00 0.00 H new ATOM 0 HD2 LYS A 712 3.512 -6.892 -40.273 1.00 0.00 H new ATOM 0 HD3 LYS A 712 2.801 -7.656 -38.865 1.00 0.00 H new ATOM 0 HE2 LYS A 712 1.272 -5.978 -39.029 1.00 0.00 H new ATOM 0 HE3 LYS A 712 2.479 -5.048 -38.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 1.698 -3.868 -40.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 3.344 -4.245 -40.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 2.174 -5.146 -41.124 1.00 0.00 H new ATOM 36 N LEU A 713 8.411 -5.137 -37.244 1.00 0.00 N ATOM 37 CA LEU A 713 8.811 -4.793 -35.884 1.00 0.00 C ATOM 38 C LEU A 713 8.541 -3.319 -35.595 1.00 0.00 C ATOM 39 O LEU A 713 9.400 -2.466 -35.815 1.00 0.00 O ATOM 40 CB LEU A 713 10.294 -5.102 -35.672 1.00 0.00 C ATOM 41 CG LEU A 713 10.637 -6.591 -35.573 1.00 0.00 C ATOM 42 CD1 LEU A 713 12.129 -6.780 -35.346 1.00 0.00 C ATOM 43 CD2 LEU A 713 9.837 -7.246 -34.456 1.00 0.00 C ATOM 0 H LEU A 713 9.033 -4.781 -37.970 1.00 0.00 H new ATOM 0 HA LEU A 713 8.220 -5.395 -35.195 1.00 0.00 H new ATOM 0 HB2 LEU A 713 10.861 -4.668 -36.495 1.00 0.00 H new ATOM 0 HB3 LEU A 713 10.626 -4.607 -34.760 1.00 0.00 H new ATOM 0 HG LEU A 713 10.371 -7.072 -36.514 1.00 0.00 H new ATOM 0 HD11 LEU A 713 12.355 -7.844 -35.278 1.00 0.00 H new ATOM 0 HD12 LEU A 713 12.682 -6.344 -36.178 1.00 0.00 H new ATOM 0 HD13 LEU A 713 12.421 -6.287 -34.419 1.00 0.00 H new ATOM 0 HD21 LEU A 713 10.092 -8.304 -34.398 1.00 0.00 H new ATOM 0 HD22 LEU A 713 10.074 -6.763 -33.508 1.00 0.00 H new ATOM 0 HD23 LEU A 713 8.772 -7.140 -34.661 1.00 0.00 H new ATOM 55 N GLU A 714 7.343 -3.029 -35.101 1.00 0.00 N ATOM 56 CA GLU A 714 6.959 -1.659 -34.780 1.00 0.00 C ATOM 57 C GLU A 714 6.910 -1.447 -33.270 1.00 0.00 C ATOM 58 O GLU A 714 7.327 -0.404 -32.767 1.00 0.00 O ATOM 59 CB GLU A 714 5.598 -1.331 -35.396 1.00 0.00 C ATOM 60 CG GLU A 714 5.689 -0.769 -36.806 1.00 0.00 C ATOM 61 CD GLU A 714 4.579 -1.272 -37.707 1.00 0.00 C ATOM 62 OE1 GLU A 714 3.511 -0.626 -37.750 1.00 0.00 O ATOM 63 OE2 GLU A 714 4.777 -2.314 -38.368 1.00 0.00 O ATOM 0 H GLU A 714 6.620 -3.724 -34.914 1.00 0.00 H new ATOM 0 HA GLU A 714 7.711 -0.990 -35.199 1.00 0.00 H new ATOM 0 HB2 GLU A 714 4.988 -2.234 -35.412 1.00 0.00 H new ATOM 0 HB3 GLU A 714 5.084 -0.611 -34.759 1.00 0.00 H new ATOM 0 HG2 GLU A 714 5.651 0.319 -36.762 1.00 0.00 H new ATOM 0 HG3 GLU A 714 6.653 -1.037 -37.239 1.00 0.00 H new ATOM 70 N GLY A 715 6.397 -2.441 -32.554 1.00 0.00 N ATOM 71 CA GLY A 715 6.304 -2.344 -31.109 1.00 0.00 C ATOM 72 C GLY A 715 6.305 -3.701 -30.435 1.00 0.00 C ATOM 73 O GLY A 715 7.353 -4.192 -30.015 1.00 0.00 O ATOM 0 H GLY A 715 6.044 -3.313 -32.948 1.00 0.00 H new ATOM 0 HA2 GLY A 715 7.140 -1.755 -30.733 1.00 0.00 H new ATOM 0 HA3 GLY A 715 5.392 -1.810 -30.842 1.00 0.00 H new ATOM 77 N SER A 716 5.125 -4.308 -30.330 1.00 0.00 N ATOM 78 CA SER A 716 4.987 -5.618 -29.701 1.00 0.00 C ATOM 79 C SER A 716 5.386 -5.563 -28.228 1.00 0.00 C ATOM 80 O SER A 716 4.528 -5.499 -27.347 1.00 0.00 O ATOM 81 CB SER A 716 5.838 -6.657 -30.438 1.00 0.00 C ATOM 82 OG SER A 716 5.320 -6.915 -31.731 1.00 0.00 O ATOM 0 H SER A 716 4.250 -3.912 -30.673 1.00 0.00 H new ATOM 0 HA SER A 716 3.939 -5.912 -29.761 1.00 0.00 H new ATOM 0 HB2 SER A 716 6.865 -6.300 -30.519 1.00 0.00 H new ATOM 0 HB3 SER A 716 5.867 -7.582 -29.863 1.00 0.00 H new ATOM 0 HG SER A 716 5.881 -7.580 -32.182 1.00 0.00 H new ATOM 88 N GLU A 717 6.688 -5.588 -27.967 1.00 0.00 N ATOM 89 CA GLU A 717 7.196 -5.541 -26.600 1.00 0.00 C ATOM 90 C GLU A 717 6.937 -4.176 -25.972 1.00 0.00 C ATOM 91 O GLU A 717 7.750 -3.260 -26.095 1.00 0.00 O ATOM 92 CB GLU A 717 8.694 -5.850 -26.579 1.00 0.00 C ATOM 93 CG GLU A 717 9.195 -6.338 -25.229 1.00 0.00 C ATOM 94 CD GLU A 717 10.413 -7.232 -25.349 1.00 0.00 C ATOM 95 OE1 GLU A 717 11.473 -6.736 -25.785 1.00 0.00 O ATOM 96 OE2 GLU A 717 10.308 -8.428 -25.005 1.00 0.00 O ATOM 0 H GLU A 717 7.412 -5.641 -28.684 1.00 0.00 H new ATOM 0 HA GLU A 717 6.669 -6.296 -26.016 1.00 0.00 H new ATOM 0 HB2 GLU A 717 8.911 -6.606 -27.333 1.00 0.00 H new ATOM 0 HB3 GLU A 717 9.246 -4.953 -26.859 1.00 0.00 H new ATOM 0 HG2 GLU A 717 9.439 -5.479 -24.604 1.00 0.00 H new ATOM 0 HG3 GLU A 717 8.397 -6.883 -24.725 1.00 0.00 H new ATOM 103 N ASP A 718 5.799 -4.047 -25.295 1.00 0.00 N ATOM 104 CA ASP A 718 5.433 -2.793 -24.647 1.00 0.00 C ATOM 105 C ASP A 718 5.111 -3.018 -23.173 1.00 0.00 C ATOM 106 O ASP A 718 4.006 -2.724 -22.715 1.00 0.00 O ATOM 107 CB ASP A 718 4.234 -2.160 -25.356 1.00 0.00 C ATOM 108 CG ASP A 718 4.651 -1.202 -26.455 1.00 0.00 C ATOM 109 OD1 ASP A 718 5.519 -0.343 -26.197 1.00 0.00 O ATOM 110 OD2 ASP A 718 4.110 -1.312 -27.575 1.00 0.00 O ATOM 0 H ASP A 718 5.115 -4.796 -25.182 1.00 0.00 H new ATOM 0 HA ASP A 718 6.283 -2.114 -24.714 1.00 0.00 H new ATOM 0 HB2 ASP A 718 3.610 -2.946 -25.781 1.00 0.00 H new ATOM 0 HB3 ASP A 718 3.623 -1.628 -24.626 1.00 0.00 H new ATOM 115 N SER A 719 6.083 -3.540 -22.433 1.00 0.00 N ATOM 116 CA SER A 719 5.907 -3.806 -21.010 1.00 0.00 C ATOM 117 C SER A 719 4.754 -4.778 -20.776 1.00 0.00 C ATOM 118 O SER A 719 3.588 -4.429 -20.955 1.00 0.00 O ATOM 119 CB SER A 719 5.652 -2.499 -20.253 1.00 0.00 C ATOM 120 OG SER A 719 4.288 -2.124 -20.324 1.00 0.00 O ATOM 0 H SER A 719 7.003 -3.788 -22.796 1.00 0.00 H new ATOM 0 HA SER A 719 6.823 -4.262 -20.635 1.00 0.00 H new ATOM 0 HB2 SER A 719 5.946 -2.616 -19.210 1.00 0.00 H new ATOM 0 HB3 SER A 719 6.272 -1.706 -20.671 1.00 0.00 H new ATOM 0 HG SER A 719 3.848 -2.624 -21.043 1.00 0.00 H new ATOM 126 N LEU A 720 5.090 -5.998 -20.373 1.00 0.00 N ATOM 127 CA LEU A 720 4.085 -7.022 -20.114 1.00 0.00 C ATOM 128 C LEU A 720 3.343 -6.738 -18.811 1.00 0.00 C ATOM 129 O LEU A 720 2.186 -6.319 -18.823 1.00 0.00 O ATOM 130 CB LEU A 720 4.737 -8.404 -20.052 1.00 0.00 C ATOM 131 CG LEU A 720 4.872 -9.118 -21.398 1.00 0.00 C ATOM 132 CD1 LEU A 720 3.503 -9.496 -21.941 1.00 0.00 C ATOM 133 CD2 LEU A 720 5.618 -8.239 -22.392 1.00 0.00 C ATOM 0 H LEU A 720 6.051 -6.302 -20.218 1.00 0.00 H new ATOM 0 HA LEU A 720 3.366 -7.005 -20.933 1.00 0.00 H new ATOM 0 HB2 LEU A 720 5.729 -8.301 -19.611 1.00 0.00 H new ATOM 0 HB3 LEU A 720 4.154 -9.034 -19.381 1.00 0.00 H new ATOM 0 HG LEU A 720 5.445 -10.033 -21.248 1.00 0.00 H new ATOM 0 HD11 LEU A 720 3.619 -10.003 -22.899 1.00 0.00 H new ATOM 0 HD12 LEU A 720 3.003 -10.161 -21.237 1.00 0.00 H new ATOM 0 HD13 LEU A 720 2.904 -8.595 -22.077 1.00 0.00 H new ATOM 0 HD21 LEU A 720 5.706 -8.761 -23.345 1.00 0.00 H new ATOM 0 HD22 LEU A 720 5.070 -7.308 -22.537 1.00 0.00 H new ATOM 0 HD23 LEU A 720 6.613 -8.018 -22.006 1.00 0.00 H new ATOM 145 N TYR A 721 4.018 -6.969 -17.689 1.00 0.00 N ATOM 146 CA TYR A 721 3.423 -6.739 -16.378 1.00 0.00 C ATOM 147 C TYR A 721 4.223 -5.706 -15.591 1.00 0.00 C ATOM 148 O TYR A 721 4.280 -5.755 -14.362 1.00 0.00 O ATOM 149 CB TYR A 721 3.348 -8.049 -15.591 1.00 0.00 C ATOM 150 CG TYR A 721 2.055 -8.806 -15.796 1.00 0.00 C ATOM 151 CD1 TYR A 721 1.760 -9.397 -17.019 1.00 0.00 C ATOM 152 CD2 TYR A 721 1.129 -8.927 -14.769 1.00 0.00 C ATOM 153 CE1 TYR A 721 0.580 -10.090 -17.210 1.00 0.00 C ATOM 154 CE2 TYR A 721 -0.055 -9.619 -14.953 1.00 0.00 C ATOM 155 CZ TYR A 721 -0.324 -10.197 -16.175 1.00 0.00 C ATOM 156 OH TYR A 721 -1.501 -10.886 -16.362 1.00 0.00 O ATOM 0 H TYR A 721 4.977 -7.315 -17.662 1.00 0.00 H new ATOM 0 HA TYR A 721 2.414 -6.355 -16.528 1.00 0.00 H new ATOM 0 HB2 TYR A 721 4.183 -8.687 -15.883 1.00 0.00 H new ATOM 0 HB3 TYR A 721 3.468 -7.833 -14.529 1.00 0.00 H new ATOM 0 HD1 TYR A 721 2.465 -9.313 -17.833 1.00 0.00 H new ATOM 0 HD2 TYR A 721 1.336 -8.474 -13.811 1.00 0.00 H new ATOM 0 HE1 TYR A 721 0.367 -10.546 -18.166 1.00 0.00 H new ATOM 0 HE2 TYR A 721 -0.765 -9.706 -14.143 1.00 0.00 H new ATOM 0 HH TYR A 721 -2.026 -10.868 -15.534 1.00 0.00 H new ATOM 166 N SER A 722 4.841 -4.772 -16.307 1.00 0.00 N ATOM 167 CA SER A 722 5.638 -3.724 -15.676 1.00 0.00 C ATOM 168 C SER A 722 4.806 -2.930 -14.674 1.00 0.00 C ATOM 169 O SER A 722 5.344 -2.345 -13.736 1.00 0.00 O ATOM 170 CB SER A 722 6.214 -2.785 -16.737 1.00 0.00 C ATOM 171 OG SER A 722 7.188 -1.920 -16.179 1.00 0.00 O ATOM 0 H SER A 722 4.806 -4.719 -17.325 1.00 0.00 H new ATOM 0 HA SER A 722 6.457 -4.202 -15.138 1.00 0.00 H new ATOM 0 HB2 SER A 722 6.661 -3.370 -17.541 1.00 0.00 H new ATOM 0 HB3 SER A 722 5.411 -2.196 -17.180 1.00 0.00 H new ATOM 0 HG SER A 722 7.542 -1.331 -16.878 1.00 0.00 H new ATOM 177 N ASP A 723 3.492 -2.913 -14.875 1.00 0.00 N ATOM 178 CA ASP A 723 2.593 -2.189 -13.983 1.00 0.00 C ATOM 179 C ASP A 723 2.664 -2.755 -12.568 1.00 0.00 C ATOM 180 O ASP A 723 2.959 -2.035 -11.614 1.00 0.00 O ATOM 181 CB ASP A 723 1.156 -2.260 -14.502 1.00 0.00 C ATOM 182 CG ASP A 723 0.388 -0.975 -14.260 1.00 0.00 C ATOM 183 OD1 ASP A 723 0.872 0.094 -14.688 1.00 0.00 O ATOM 184 OD2 ASP A 723 -0.694 -1.038 -13.642 1.00 0.00 O ATOM 0 H ASP A 723 3.027 -3.391 -15.646 1.00 0.00 H new ATOM 0 HA ASP A 723 2.909 -1.146 -13.956 1.00 0.00 H new ATOM 0 HB2 ASP A 723 1.169 -2.476 -15.570 1.00 0.00 H new ATOM 0 HB3 ASP A 723 0.638 -3.087 -14.016 1.00 0.00 H new ATOM 189 N TYR A 724 2.395 -4.051 -12.444 1.00 0.00 N ATOM 190 CA TYR A 724 2.428 -4.721 -11.151 1.00 0.00 C ATOM 191 C TYR A 724 3.859 -4.798 -10.619 1.00 0.00 C ATOM 192 O TYR A 724 4.086 -4.775 -9.409 1.00 0.00 O ATOM 193 CB TYR A 724 1.826 -6.125 -11.274 1.00 0.00 C ATOM 194 CG TYR A 724 2.373 -7.122 -10.275 1.00 0.00 C ATOM 195 CD1 TYR A 724 3.576 -7.775 -10.511 1.00 0.00 C ATOM 196 CD2 TYR A 724 1.693 -7.400 -9.099 1.00 0.00 C ATOM 197 CE1 TYR A 724 4.084 -8.680 -9.602 1.00 0.00 C ATOM 198 CE2 TYR A 724 2.196 -8.304 -8.183 1.00 0.00 C ATOM 199 CZ TYR A 724 3.391 -8.942 -8.439 1.00 0.00 C ATOM 200 OH TYR A 724 3.896 -9.843 -7.530 1.00 0.00 O ATOM 0 H TYR A 724 2.151 -4.658 -13.226 1.00 0.00 H new ATOM 0 HA TYR A 724 1.834 -4.143 -10.443 1.00 0.00 H new ATOM 0 HB2 TYR A 724 0.745 -6.057 -11.149 1.00 0.00 H new ATOM 0 HB3 TYR A 724 2.008 -6.499 -12.281 1.00 0.00 H new ATOM 0 HD1 TYR A 724 4.122 -7.571 -11.420 1.00 0.00 H new ATOM 0 HD2 TYR A 724 0.756 -6.902 -8.896 1.00 0.00 H new ATOM 0 HE1 TYR A 724 5.020 -9.181 -9.800 1.00 0.00 H new ATOM 0 HE2 TYR A 724 1.656 -8.510 -7.271 1.00 0.00 H new ATOM 0 HH TYR A 724 4.302 -9.359 -6.781 1.00 0.00 H new ATOM 210 N VAL A 725 4.819 -4.894 -11.533 1.00 0.00 N ATOM 211 CA VAL A 725 6.226 -4.979 -11.161 1.00 0.00 C ATOM 212 C VAL A 725 6.767 -3.615 -10.740 1.00 0.00 C ATOM 213 O VAL A 725 7.641 -3.523 -9.876 1.00 0.00 O ATOM 214 CB VAL A 725 7.071 -5.538 -12.324 1.00 0.00 C ATOM 215 CG1 VAL A 725 8.559 -5.473 -12.003 1.00 0.00 C ATOM 216 CG2 VAL A 725 6.649 -6.963 -12.648 1.00 0.00 C ATOM 0 H VAL A 725 4.647 -4.915 -12.538 1.00 0.00 H new ATOM 0 HA VAL A 725 6.299 -5.660 -10.313 1.00 0.00 H new ATOM 0 HB VAL A 725 6.894 -4.917 -13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 725 9.130 -5.874 -12.841 1.00 0.00 H new ATOM 0 HG12 VAL A 725 8.849 -4.437 -11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 725 8.764 -6.062 -11.109 1.00 0.00 H new ATOM 0 HG21 VAL A 725 7.254 -7.344 -13.471 1.00 0.00 H new ATOM 0 HG22 VAL A 725 6.792 -7.593 -11.770 1.00 0.00 H new ATOM 0 HG23 VAL A 725 5.598 -6.975 -12.936 1.00 0.00 H new ATOM 226 N ASP A 726 6.243 -2.559 -11.352 1.00 0.00 N ATOM 227 CA ASP A 726 6.675 -1.202 -11.038 1.00 0.00 C ATOM 228 C ASP A 726 6.262 -0.815 -9.621 1.00 0.00 C ATOM 229 O ASP A 726 6.903 0.022 -8.985 1.00 0.00 O ATOM 230 CB ASP A 726 6.087 -0.211 -12.044 1.00 0.00 C ATOM 231 CG ASP A 726 6.553 1.211 -11.797 1.00 0.00 C ATOM 232 OD1 ASP A 726 6.227 1.763 -10.724 1.00 0.00 O ATOM 233 OD2 ASP A 726 7.242 1.771 -12.675 1.00 0.00 O ATOM 0 H ASP A 726 5.519 -2.616 -12.068 1.00 0.00 H new ATOM 0 HA ASP A 726 7.763 -1.169 -11.102 1.00 0.00 H new ATOM 0 HB2 ASP A 726 6.368 -0.512 -13.053 1.00 0.00 H new ATOM 0 HB3 ASP A 726 4.999 -0.248 -11.992 1.00 0.00 H new ATOM 238 N VAL A 727 5.188 -1.427 -9.134 1.00 0.00 N ATOM 239 CA VAL A 727 4.691 -1.146 -7.792 1.00 0.00 C ATOM 240 C VAL A 727 5.751 -1.453 -6.738 1.00 0.00 C ATOM 241 O VAL A 727 5.792 -0.820 -5.682 1.00 0.00 O ATOM 242 CB VAL A 727 3.421 -1.960 -7.480 1.00 0.00 C ATOM 243 CG1 VAL A 727 2.832 -1.544 -6.139 1.00 0.00 C ATOM 244 CG2 VAL A 727 2.394 -1.800 -8.594 1.00 0.00 C ATOM 0 H VAL A 727 4.645 -2.121 -9.648 1.00 0.00 H new ATOM 0 HA VAL A 727 4.448 -0.084 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 727 3.696 -3.013 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 727 1.936 -2.131 -5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 727 3.564 -1.718 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 727 2.574 -0.485 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 727 1.504 -2.383 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 727 2.124 -0.749 -8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 727 2.818 -2.154 -9.534 1.00 0.00 H new ATOM 254 N PHE A 728 6.605 -2.427 -7.031 1.00 0.00 N ATOM 255 CA PHE A 728 7.665 -2.817 -6.108 1.00 0.00 C ATOM 256 C PHE A 728 8.864 -1.884 -6.232 1.00 0.00 C ATOM 257 O PHE A 728 9.578 -1.640 -5.259 1.00 0.00 O ATOM 258 CB PHE A 728 8.097 -4.260 -6.375 1.00 0.00 C ATOM 259 CG PHE A 728 7.036 -5.273 -6.056 1.00 0.00 C ATOM 260 CD1 PHE A 728 5.922 -5.407 -6.870 1.00 0.00 C ATOM 261 CD2 PHE A 728 7.151 -6.092 -4.944 1.00 0.00 C ATOM 262 CE1 PHE A 728 4.943 -6.339 -6.579 1.00 0.00 C ATOM 263 CE2 PHE A 728 6.177 -7.025 -4.650 1.00 0.00 C ATOM 264 CZ PHE A 728 5.071 -7.149 -5.467 1.00 0.00 C ATOM 0 H PHE A 728 6.584 -2.961 -7.900 1.00 0.00 H new ATOM 0 HA PHE A 728 7.274 -2.744 -5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 728 8.378 -4.358 -7.424 1.00 0.00 H new ATOM 0 HB3 PHE A 728 8.987 -4.479 -5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 728 5.818 -4.777 -7.741 1.00 0.00 H new ATOM 0 HD2 PHE A 728 8.013 -5.999 -4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 728 4.079 -6.434 -7.220 1.00 0.00 H new ATOM 0 HE2 PHE A 728 6.280 -7.658 -3.781 1.00 0.00 H new ATOM 0 HZ PHE A 728 4.308 -7.878 -5.237 1.00 0.00 H new ATOM 274 N TYR A 729 9.082 -1.363 -7.435 1.00 0.00 N ATOM 275 CA TYR A 729 10.195 -0.456 -7.687 1.00 0.00 C ATOM 276 C TYR A 729 10.034 0.836 -6.891 1.00 0.00 C ATOM 277 O TYR A 729 10.824 1.125 -5.992 1.00 0.00 O ATOM 278 CB TYR A 729 10.296 -0.141 -9.180 1.00 0.00 C ATOM 279 CG TYR A 729 11.719 -0.011 -9.676 1.00 0.00 C ATOM 280 CD1 TYR A 729 12.550 -1.121 -9.758 1.00 0.00 C ATOM 281 CD2 TYR A 729 12.231 1.221 -10.063 1.00 0.00 C ATOM 282 CE1 TYR A 729 13.850 -1.007 -10.211 1.00 0.00 C ATOM 283 CE2 TYR A 729 13.529 1.343 -10.518 1.00 0.00 C ATOM 284 CZ TYR A 729 14.335 0.226 -10.590 1.00 0.00 C ATOM 285 OH TYR A 729 15.630 0.344 -11.041 1.00 0.00 O ATOM 0 H TYR A 729 8.501 -1.554 -8.252 1.00 0.00 H new ATOM 0 HA TYR A 729 11.113 -0.948 -7.365 1.00 0.00 H new ATOM 0 HB2 TYR A 729 9.794 -0.927 -9.744 1.00 0.00 H new ATOM 0 HB3 TYR A 729 9.763 0.787 -9.384 1.00 0.00 H new ATOM 0 HD1 TYR A 729 12.174 -2.089 -9.463 1.00 0.00 H new ATOM 0 HD2 TYR A 729 11.603 2.098 -10.007 1.00 0.00 H new ATOM 0 HE1 TYR A 729 14.483 -1.880 -10.268 1.00 0.00 H new ATOM 0 HE2 TYR A 729 13.911 2.308 -10.816 1.00 0.00 H new ATOM 0 HH TYR A 729 15.813 1.279 -11.268 1.00 0.00 H new ATOM 295 N ASN A 730 9.008 1.610 -7.231 1.00 0.00 N ATOM 296 CA ASN A 730 8.743 2.870 -6.549 1.00 0.00 C ATOM 297 C ASN A 730 9.923 3.826 -6.696 1.00 0.00 C ATOM 298 O ASN A 730 10.839 3.582 -7.483 1.00 0.00 O ATOM 299 CB ASN A 730 8.453 2.621 -5.067 1.00 0.00 C ATOM 300 CG ASN A 730 7.342 3.508 -4.539 1.00 0.00 C ATOM 301 OD1 ASN A 730 6.191 3.402 -4.965 1.00 0.00 O ATOM 302 ND2 ASN A 730 7.681 4.389 -3.604 1.00 0.00 N ATOM 0 H ASN A 730 8.347 1.386 -7.975 1.00 0.00 H new ATOM 0 HA ASN A 730 7.868 3.328 -7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 730 8.179 1.576 -4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 730 9.360 2.795 -4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 730 6.976 5.012 -3.210 1.00 0.00 H new ATOM 0 HD22 ASN A 730 8.647 4.443 -3.280 1.00 0.00 H new ATOM 309 N THR A 731 9.895 4.914 -5.932 1.00 0.00 N ATOM 310 CA THR A 731 10.963 5.907 -5.977 1.00 0.00 C ATOM 311 C THR A 731 11.069 6.530 -7.365 1.00 0.00 C ATOM 312 O THR A 731 11.399 5.853 -8.339 1.00 0.00 O ATOM 313 CB THR A 731 12.299 5.269 -5.591 1.00 0.00 C ATOM 314 OG1 THR A 731 12.098 4.187 -4.699 1.00 0.00 O ATOM 315 CG2 THR A 731 13.254 6.238 -4.927 1.00 0.00 C ATOM 0 H THR A 731 9.145 5.130 -5.275 1.00 0.00 H new ATOM 0 HA THR A 731 10.723 6.693 -5.262 1.00 0.00 H new ATOM 0 HB THR A 731 12.741 4.932 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 731 12.963 3.791 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 731 14.182 5.722 -4.679 1.00 0.00 H new ATOM 0 HG22 THR A 731 13.468 7.062 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 731 12.801 6.628 -4.016 1.00 0.00 H new ATOM 323 N LYS A 732 10.786 7.827 -7.448 1.00 0.00 N ATOM 324 CA LYS A 732 10.849 8.544 -8.717 1.00 0.00 C ATOM 325 C LYS A 732 9.866 7.953 -9.725 1.00 0.00 C ATOM 326 O LYS A 732 10.263 7.249 -10.654 1.00 0.00 O ATOM 327 CB LYS A 732 12.270 8.497 -9.282 1.00 0.00 C ATOM 328 CG LYS A 732 13.137 9.665 -8.844 1.00 0.00 C ATOM 329 CD LYS A 732 13.158 10.768 -9.891 1.00 0.00 C ATOM 330 CE LYS A 732 13.163 12.146 -9.249 1.00 0.00 C ATOM 331 NZ LYS A 732 12.345 13.122 -10.023 1.00 0.00 N ATOM 0 H LYS A 732 10.511 8.402 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 732 10.573 9.583 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 732 12.745 7.566 -8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 732 12.219 8.481 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 732 12.762 10.064 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 732 14.153 9.316 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 732 14.040 10.656 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 732 12.288 10.671 -10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 732 12.777 12.074 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 732 14.188 12.509 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 12.374 14.049 -9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 12.728 13.210 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 11.361 12.789 -10.071 1.00 0.00 H new ATOM 345 N PRO A 733 8.562 8.234 -9.557 1.00 0.00 N ATOM 346 CA PRO A 733 7.522 7.729 -10.458 1.00 0.00 C ATOM 347 C PRO A 733 7.570 8.394 -11.829 1.00 0.00 C ATOM 348 O PRO A 733 8.534 9.085 -12.161 1.00 0.00 O ATOM 349 CB PRO A 733 6.221 8.087 -9.735 1.00 0.00 C ATOM 350 CG PRO A 733 6.569 9.264 -8.893 1.00 0.00 C ATOM 351 CD PRO A 733 8.001 9.068 -8.476 1.00 0.00 C ATOM 0 HA PRO A 733 7.636 6.663 -10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 733 5.428 8.327 -10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 733 5.864 7.256 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 733 6.449 10.192 -9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 733 5.915 9.329 -8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 733 8.527 10.018 -8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 733 8.073 8.573 -7.508 1.00 0.00 H new ATOM 359 N TYR A 734 6.525 8.183 -12.622 1.00 0.00 N ATOM 360 CA TYR A 734 6.449 8.763 -13.958 1.00 0.00 C ATOM 361 C TYR A 734 5.067 9.353 -14.218 1.00 0.00 C ATOM 362 O TYR A 734 4.604 9.395 -15.358 1.00 0.00 O ATOM 363 CB TYR A 734 6.773 7.706 -15.014 1.00 0.00 C ATOM 364 CG TYR A 734 7.362 8.279 -16.283 1.00 0.00 C ATOM 365 CD1 TYR A 734 8.722 8.547 -16.381 1.00 0.00 C ATOM 366 CD2 TYR A 734 6.559 8.551 -17.385 1.00 0.00 C ATOM 367 CE1 TYR A 734 9.264 9.070 -17.540 1.00 0.00 C ATOM 368 CE2 TYR A 734 7.095 9.075 -18.546 1.00 0.00 C ATOM 369 CZ TYR A 734 8.447 9.333 -18.619 1.00 0.00 C ATOM 370 OH TYR A 734 8.983 9.854 -19.774 1.00 0.00 O ATOM 0 H TYR A 734 5.719 7.615 -12.363 1.00 0.00 H new ATOM 0 HA TYR A 734 7.183 9.566 -14.021 1.00 0.00 H new ATOM 0 HB2 TYR A 734 7.473 6.985 -14.592 1.00 0.00 H new ATOM 0 HB3 TYR A 734 5.863 7.160 -15.260 1.00 0.00 H new ATOM 0 HD1 TYR A 734 9.366 8.343 -15.538 1.00 0.00 H new ATOM 0 HD2 TYR A 734 5.499 8.350 -17.333 1.00 0.00 H new ATOM 0 HE1 TYR A 734 10.323 9.272 -17.600 1.00 0.00 H new ATOM 0 HE2 TYR A 734 6.457 9.282 -19.393 1.00 0.00 H new ATOM 0 HH TYR A 734 8.272 9.979 -20.437 1.00 0.00 H new ATOM 380 N LYS A 735 4.411 9.807 -13.154 1.00 0.00 N ATOM 381 CA LYS A 735 3.081 10.396 -13.270 1.00 0.00 C ATOM 382 C LYS A 735 2.099 9.407 -13.890 1.00 0.00 C ATOM 383 O LYS A 735 1.161 9.801 -14.582 1.00 0.00 O ATOM 384 CB LYS A 735 3.137 11.673 -14.108 1.00 0.00 C ATOM 385 CG LYS A 735 4.009 12.760 -13.503 1.00 0.00 C ATOM 386 CD LYS A 735 3.441 14.146 -13.773 1.00 0.00 C ATOM 387 CE LYS A 735 4.028 15.182 -12.830 1.00 0.00 C ATOM 388 NZ LYS A 735 4.014 16.546 -13.424 1.00 0.00 N ATOM 0 H LYS A 735 4.778 9.778 -12.203 1.00 0.00 H new ATOM 0 HA LYS A 735 2.732 10.644 -12.267 1.00 0.00 H new ATOM 0 HB2 LYS A 735 3.512 11.429 -15.102 1.00 0.00 H new ATOM 0 HB3 LYS A 735 2.126 12.059 -14.235 1.00 0.00 H new ATOM 0 HG2 LYS A 735 4.094 12.604 -12.428 1.00 0.00 H new ATOM 0 HG3 LYS A 735 5.016 12.692 -13.915 1.00 0.00 H new ATOM 0 HD2 LYS A 735 3.650 14.431 -14.804 1.00 0.00 H new ATOM 0 HD3 LYS A 735 2.357 14.124 -13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 735 3.462 15.186 -11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.052 14.906 -12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 4.423 17.223 -12.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 4.575 16.549 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 3.034 16.821 -13.639 1.00 0.00 H new ATOM 402 N HIS A 736 2.324 8.121 -13.642 1.00 0.00 N ATOM 403 CA HIS A 736 1.458 7.076 -14.177 1.00 0.00 C ATOM 404 C HIS A 736 1.284 5.945 -13.170 1.00 0.00 C ATOM 405 O HIS A 736 2.261 5.399 -12.658 1.00 0.00 O ATOM 406 CB HIS A 736 2.035 6.528 -15.484 1.00 0.00 C ATOM 407 CG HIS A 736 0.992 6.023 -16.433 1.00 0.00 C ATOM 408 ND1 HIS A 736 0.274 6.851 -17.270 1.00 0.00 N ATOM 409 CD2 HIS A 736 0.549 4.768 -16.676 1.00 0.00 C ATOM 410 CE1 HIS A 736 -0.567 6.126 -17.986 1.00 0.00 C ATOM 411 NE2 HIS A 736 -0.419 4.860 -17.646 1.00 0.00 N ATOM 0 H HIS A 736 3.098 7.777 -13.074 1.00 0.00 H new ATOM 0 HA HIS A 736 0.480 7.514 -14.375 1.00 0.00 H new ATOM 0 HB2 HIS A 736 2.612 7.312 -15.974 1.00 0.00 H new ATOM 0 HB3 HIS A 736 2.728 5.719 -15.255 1.00 0.00 H new ATOM 0 HD2 HIS A 736 0.892 3.863 -16.197 1.00 0.00 H new ATOM 0 HE1 HIS A 736 -1.258 6.505 -18.724 1.00 0.00 H new ATOM 0 HE2 HIS A 736 -0.939 4.076 -18.040 1.00 0.00 H new ATOM 420 N ARG A 737 0.031 5.596 -12.891 1.00 0.00 N ATOM 421 CA ARG A 737 -0.272 4.529 -11.945 1.00 0.00 C ATOM 422 C ARG A 737 -1.627 3.900 -12.253 1.00 0.00 C ATOM 423 O ARG A 737 -2.632 4.222 -11.619 1.00 0.00 O ATOM 424 CB ARG A 737 -0.261 5.069 -10.514 1.00 0.00 C ATOM 425 CG ARG A 737 1.103 4.992 -9.845 1.00 0.00 C ATOM 426 CD ARG A 737 1.081 5.623 -8.463 1.00 0.00 C ATOM 427 NE ARG A 737 1.499 7.022 -8.493 1.00 0.00 N ATOM 428 CZ ARG A 737 1.912 7.695 -7.422 1.00 0.00 C ATOM 429 NH1 ARG A 737 1.963 7.104 -6.235 1.00 0.00 N ATOM 430 NH2 ARG A 737 2.275 8.965 -7.538 1.00 0.00 N ATOM 0 H ARG A 737 -0.789 6.037 -13.307 1.00 0.00 H new ATOM 0 HA ARG A 737 0.496 3.762 -12.042 1.00 0.00 H new ATOM 0 HB2 ARG A 737 -0.594 6.107 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -0.981 4.509 -9.918 1.00 0.00 H new ATOM 0 HG2 ARG A 737 1.412 3.950 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 737 1.843 5.498 -10.465 1.00 0.00 H new ATOM 0 HD2 ARG A 737 0.075 5.554 -8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 737 1.738 5.063 -7.798 1.00 0.00 H new ATOM 0 HE ARG A 737 1.473 7.512 -9.387 1.00 0.00 H new ATOM 0 HH11 ARG A 737 1.685 6.127 -6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 737 2.281 7.626 -5.418 1.00 0.00 H new ATOM 0 HH21 ARG A 737 2.237 9.425 -8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 737 2.592 9.482 -6.718 1.00 0.00 H new ATOM 444 N ASP A 738 -1.647 2.998 -13.229 1.00 0.00 N ATOM 445 CA ASP A 738 -2.878 2.322 -13.622 1.00 0.00 C ATOM 446 C ASP A 738 -3.464 1.537 -12.452 1.00 0.00 C ATOM 447 O ASP A 738 -4.681 1.382 -12.345 1.00 0.00 O ATOM 448 CB ASP A 738 -2.615 1.383 -14.802 1.00 0.00 C ATOM 449 CG ASP A 738 -3.885 1.023 -15.547 1.00 0.00 C ATOM 450 OD1 ASP A 738 -4.279 1.789 -16.451 1.00 0.00 O ATOM 451 OD2 ASP A 738 -4.484 -0.025 -15.228 1.00 0.00 O ATOM 0 H ASP A 738 -0.824 2.718 -13.763 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.600 3.081 -13.925 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -1.915 1.856 -15.490 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -2.139 0.472 -14.439 1.00 0.00 H new ATOM 456 N ASP A 739 -2.592 1.045 -11.580 1.00 0.00 N ATOM 457 CA ASP A 739 -3.024 0.276 -10.418 1.00 0.00 C ATOM 458 C ASP A 739 -3.940 1.108 -9.525 1.00 0.00 C ATOM 459 O ASP A 739 -5.010 0.652 -9.121 1.00 0.00 O ATOM 460 CB ASP A 739 -1.812 -0.205 -9.618 1.00 0.00 C ATOM 461 CG ASP A 739 -2.036 -1.568 -8.992 1.00 0.00 C ATOM 462 OD1 ASP A 739 -3.211 -1.936 -8.777 1.00 0.00 O ATOM 463 OD2 ASP A 739 -1.038 -2.266 -8.716 1.00 0.00 O ATOM 0 H ASP A 739 -1.582 1.164 -11.655 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.582 -0.590 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -0.942 -0.248 -10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -1.587 0.519 -8.835 1.00 0.00 H new ATOM 468 N ARG A 740 -3.512 2.329 -9.220 1.00 0.00 N ATOM 469 CA ARG A 740 -4.295 3.222 -8.375 1.00 0.00 C ATOM 470 C ARG A 740 -5.645 3.530 -9.014 1.00 0.00 C ATOM 471 O ARG A 740 -6.644 3.714 -8.319 1.00 0.00 O ATOM 472 CB ARG A 740 -3.527 4.521 -8.119 1.00 0.00 C ATOM 473 CG ARG A 740 -3.635 5.020 -6.689 1.00 0.00 C ATOM 474 CD ARG A 740 -4.933 5.777 -6.460 1.00 0.00 C ATOM 475 NE ARG A 740 -4.844 7.167 -6.904 1.00 0.00 N ATOM 476 CZ ARG A 740 -5.835 8.046 -6.790 1.00 0.00 C ATOM 477 NH1 ARG A 740 -6.993 7.686 -6.252 1.00 0.00 N ATOM 478 NH2 ARG A 740 -5.670 9.290 -7.218 1.00 0.00 N ATOM 0 H ARG A 740 -2.629 2.722 -9.545 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.471 2.721 -7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.476 4.366 -8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.900 5.292 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -3.579 4.175 -6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -2.789 5.670 -6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -5.742 5.278 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -5.185 5.751 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 740 -3.970 7.481 -7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -7.127 6.730 -5.923 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -7.749 8.365 -6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -4.783 9.573 -7.635 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -6.430 9.964 -7.131 1.00 0.00 H new ATOM 492 N LEU A 741 -5.668 3.585 -10.341 1.00 0.00 N ATOM 493 CA LEU A 741 -6.898 3.867 -11.070 1.00 0.00 C ATOM 494 C LEU A 741 -7.948 2.798 -10.789 1.00 0.00 C ATOM 495 O LEU A 741 -9.123 3.105 -10.591 1.00 0.00 O ATOM 496 CB LEU A 741 -6.622 3.948 -12.572 1.00 0.00 C ATOM 497 CG LEU A 741 -6.229 5.335 -13.084 1.00 0.00 C ATOM 498 CD1 LEU A 741 -4.913 5.779 -12.466 1.00 0.00 C ATOM 499 CD2 LEU A 741 -6.133 5.333 -14.602 1.00 0.00 C ATOM 0 H LEU A 741 -4.850 3.438 -10.933 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.282 4.829 -10.730 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.824 3.247 -12.818 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.512 3.618 -13.108 1.00 0.00 H new ATOM 0 HG LEU A 741 -7.002 6.044 -12.788 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.650 6.768 -12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -5.015 5.819 -11.382 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.129 5.070 -12.731 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.853 6.327 -14.950 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.379 4.612 -14.918 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.098 5.059 -15.027 1.00 0.00 H new ATOM 511 N LEU A 742 -7.515 1.542 -10.766 1.00 0.00 N ATOM 512 CA LEU A 742 -8.417 0.428 -10.502 1.00 0.00 C ATOM 513 C LEU A 742 -9.123 0.613 -9.164 1.00 0.00 C ATOM 514 O LEU A 742 -10.296 0.270 -9.019 1.00 0.00 O ATOM 515 CB LEU A 742 -7.648 -0.895 -10.508 1.00 0.00 C ATOM 516 CG LEU A 742 -7.401 -1.494 -11.894 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.097 -0.971 -12.477 1.00 0.00 C ATOM 518 CD2 LEU A 742 -7.384 -3.013 -11.821 1.00 0.00 C ATOM 0 H LEU A 742 -6.545 1.270 -10.927 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.168 0.404 -11.292 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.686 -0.741 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.198 -1.620 -9.908 1.00 0.00 H new ATOM 0 HG LEU A 742 -8.216 -1.190 -12.552 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -5.938 -1.408 -13.463 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -6.147 0.114 -12.565 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -5.270 -1.244 -11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -7.207 -3.423 -12.815 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -6.589 -3.336 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -8.343 -3.370 -11.447 1.00 0.00 H new ATOM 530 N GLN A 743 -8.403 1.166 -8.192 1.00 0.00 N ATOM 531 CA GLN A 743 -8.965 1.404 -6.870 1.00 0.00 C ATOM 532 C GLN A 743 -10.151 2.359 -6.957 1.00 0.00 C ATOM 533 O GLN A 743 -11.211 2.102 -6.386 1.00 0.00 O ATOM 534 CB GLN A 743 -7.900 1.974 -5.932 1.00 0.00 C ATOM 535 CG GLN A 743 -7.182 0.915 -5.112 1.00 0.00 C ATOM 536 CD GLN A 743 -5.998 0.314 -5.843 1.00 0.00 C ATOM 537 OE1 GLN A 743 -4.848 0.670 -5.586 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.274 -0.603 -6.764 1.00 0.00 N ATOM 0 H GLN A 743 -7.431 1.457 -8.297 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.312 0.452 -6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.167 2.525 -6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.368 2.689 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.840 1.356 -4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -7.885 0.123 -4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.242 -0.869 -6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -5.518 -1.041 -7.290 1.00 0.00 H new ATOM 547 N ALA A 744 -9.966 3.461 -7.676 1.00 0.00 N ATOM 548 CA ALA A 744 -11.022 4.449 -7.838 1.00 0.00 C ATOM 549 C ALA A 744 -12.138 3.913 -8.725 1.00 0.00 C ATOM 550 O ALA A 744 -13.318 4.010 -8.383 1.00 0.00 O ATOM 551 CB ALA A 744 -10.457 5.739 -8.414 1.00 0.00 C ATOM 0 H ALA A 744 -9.095 3.691 -8.155 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.443 4.661 -6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.259 6.468 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.699 6.137 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -10.008 5.537 -9.386 1.00 0.00 H new ATOM 557 N LEU A 745 -11.762 3.343 -9.866 1.00 0.00 N ATOM 558 CA LEU A 745 -12.735 2.788 -10.799 1.00 0.00 C ATOM 559 C LEU A 745 -13.580 1.718 -10.117 1.00 0.00 C ATOM 560 O LEU A 745 -14.806 1.717 -10.227 1.00 0.00 O ATOM 561 CB LEU A 745 -12.025 2.192 -12.021 1.00 0.00 C ATOM 562 CG LEU A 745 -11.075 3.145 -12.751 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.930 2.374 -13.396 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.830 3.951 -13.795 1.00 0.00 C ATOM 0 H LEU A 745 -10.791 3.254 -10.166 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.390 3.595 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.461 1.316 -11.702 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.780 1.846 -12.727 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.653 3.835 -12.020 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.267 3.070 -13.910 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.371 1.841 -12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.332 1.659 -14.114 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -11.140 4.623 -14.305 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.280 3.274 -14.521 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.612 4.534 -13.309 1.00 0.00 H new ATOM 576 N MET A 746 -12.917 0.811 -9.405 1.00 0.00 N ATOM 577 CA MET A 746 -13.612 -0.258 -8.699 1.00 0.00 C ATOM 578 C MET A 746 -14.438 0.305 -7.547 1.00 0.00 C ATOM 579 O MET A 746 -15.548 -0.157 -7.281 1.00 0.00 O ATOM 580 CB MET A 746 -12.609 -1.295 -8.178 1.00 0.00 C ATOM 581 CG MET A 746 -11.892 -0.880 -6.901 1.00 0.00 C ATOM 582 SD MET A 746 -10.756 -2.145 -6.300 1.00 0.00 S ATOM 583 CE MET A 746 -11.294 -2.301 -4.598 1.00 0.00 C ATOM 0 H MET A 746 -11.902 0.796 -9.302 1.00 0.00 H new ATOM 0 HA MET A 746 -14.288 -0.748 -9.400 1.00 0.00 H new ATOM 0 HB2 MET A 746 -13.133 -2.234 -7.999 1.00 0.00 H new ATOM 0 HB3 MET A 746 -11.867 -1.488 -8.953 1.00 0.00 H new ATOM 0 HG2 MET A 746 -11.340 0.042 -7.082 1.00 0.00 H new ATOM 0 HG3 MET A 746 -12.630 -0.663 -6.129 1.00 0.00 H new ATOM 0 HE1 MET A 746 -10.685 -3.049 -4.091 1.00 0.00 H new ATOM 0 HE2 MET A 746 -11.185 -1.341 -4.093 1.00 0.00 H new ATOM 0 HE3 MET A 746 -12.340 -2.607 -4.574 1.00 0.00 H new ATOM 593 N ASP A 747 -13.888 1.305 -6.865 1.00 0.00 N ATOM 594 CA ASP A 747 -14.573 1.932 -5.740 1.00 0.00 C ATOM 595 C ASP A 747 -15.902 2.537 -6.182 1.00 0.00 C ATOM 596 O ASP A 747 -16.927 2.351 -5.526 1.00 0.00 O ATOM 597 CB ASP A 747 -13.689 3.014 -5.118 1.00 0.00 C ATOM 598 CG ASP A 747 -14.323 3.645 -3.894 1.00 0.00 C ATOM 599 OD1 ASP A 747 -15.217 4.501 -4.063 1.00 0.00 O ATOM 600 OD2 ASP A 747 -13.926 3.283 -2.766 1.00 0.00 O ATOM 0 H ASP A 747 -12.970 1.698 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.774 1.163 -4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.728 2.580 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.489 3.787 -5.860 1.00 0.00 H new ATOM 605 N ILE A 748 -15.877 3.259 -7.298 1.00 0.00 N ATOM 606 CA ILE A 748 -17.080 3.890 -7.826 1.00 0.00 C ATOM 607 C ILE A 748 -18.133 2.847 -8.186 1.00 0.00 C ATOM 608 O ILE A 748 -19.294 2.960 -7.791 1.00 0.00 O ATOM 609 CB ILE A 748 -16.769 4.742 -9.072 1.00 0.00 C ATOM 610 CG1 ILE A 748 -15.616 5.706 -8.784 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.007 5.507 -9.516 1.00 0.00 C ATOM 612 CD1 ILE A 748 -14.642 5.845 -9.935 1.00 0.00 C ATOM 0 H ILE A 748 -15.037 3.421 -7.853 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.468 4.539 -7.041 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.468 4.076 -9.881 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.025 6.687 -8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.077 5.361 -7.902 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -17.770 6.103 -10.397 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -18.803 4.802 -9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.337 6.164 -8.711 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -13.851 6.543 -9.660 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -14.205 4.872 -10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -15.168 6.219 -10.813 1.00 0.00 H new ATOM 624 N LEU A 749 -17.720 1.832 -8.939 1.00 0.00 N ATOM 625 CA LEU A 749 -18.628 0.769 -9.353 1.00 0.00 C ATOM 626 C LEU A 749 -19.183 0.024 -8.143 1.00 0.00 C ATOM 627 O LEU A 749 -20.355 -0.350 -8.115 1.00 0.00 O ATOM 628 CB LEU A 749 -17.910 -0.211 -10.282 1.00 0.00 C ATOM 629 CG LEU A 749 -17.560 0.347 -11.664 1.00 0.00 C ATOM 630 CD1 LEU A 749 -16.285 -0.293 -12.189 1.00 0.00 C ATOM 631 CD2 LEU A 749 -18.710 0.122 -12.634 1.00 0.00 C ATOM 0 H LEU A 749 -16.763 1.724 -9.274 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.460 1.226 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -16.992 -0.542 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -18.538 -1.093 -10.411 1.00 0.00 H new ATOM 0 HG LEU A 749 -17.392 1.420 -11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -16.051 0.115 -13.172 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -15.464 -0.083 -11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -16.425 -1.371 -12.268 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -18.445 0.524 -13.612 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -18.908 -0.946 -12.723 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -19.602 0.626 -12.264 1.00 0.00 H new ATOM 643 N ASN A 750 -18.333 -0.187 -7.143 1.00 0.00 N ATOM 644 CA ASN A 750 -18.738 -0.886 -5.929 1.00 0.00 C ATOM 645 C ASN A 750 -19.876 -0.148 -5.230 1.00 0.00 C ATOM 646 O ASN A 750 -20.773 -0.768 -4.659 1.00 0.00 O ATOM 647 CB ASN A 750 -17.548 -1.033 -4.979 1.00 0.00 C ATOM 648 CG ASN A 750 -16.785 -2.323 -5.202 1.00 0.00 C ATOM 649 OD1 ASN A 750 -16.642 -3.140 -4.292 1.00 0.00 O ATOM 650 ND2 ASN A 750 -16.287 -2.513 -6.419 1.00 0.00 N ATOM 0 H ASN A 750 -17.359 0.116 -7.150 1.00 0.00 H new ATOM 0 HA ASN A 750 -19.092 -1.877 -6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.873 -0.187 -5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.903 -0.998 -3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -15.762 -3.362 -6.629 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -16.429 -1.810 -7.144 1.00 0.00 H new ATOM 657 N GLU A 751 -19.832 1.179 -5.279 1.00 0.00 N ATOM 658 CA GLU A 751 -20.858 2.002 -4.649 1.00 0.00 C ATOM 659 C GLU A 751 -22.231 1.710 -5.248 1.00 0.00 C ATOM 660 O GLU A 751 -23.225 1.614 -4.529 1.00 0.00 O ATOM 661 CB GLU A 751 -20.523 3.486 -4.812 1.00 0.00 C ATOM 662 CG GLU A 751 -19.463 3.978 -3.841 1.00 0.00 C ATOM 663 CD GLU A 751 -20.050 4.437 -2.521 1.00 0.00 C ATOM 664 OE1 GLU A 751 -20.752 5.470 -2.510 1.00 0.00 O ATOM 665 OE2 GLU A 751 -19.808 3.763 -1.497 1.00 0.00 O ATOM 0 H GLU A 751 -19.097 1.708 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.884 1.758 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -20.181 3.663 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -21.431 4.073 -4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -18.745 3.179 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -18.913 4.802 -4.296 1.00 0.00 H new ATOM 672 N GLU A 752 -22.277 1.569 -6.569 1.00 0.00 N ATOM 673 CA GLU A 752 -23.527 1.289 -7.264 1.00 0.00 C ATOM 674 C GLU A 752 -24.540 2.408 -7.036 1.00 0.00 C ATOM 675 O GLU A 752 -25.332 2.358 -6.093 1.00 0.00 O ATOM 676 CB GLU A 752 -24.109 -0.045 -6.793 1.00 0.00 C ATOM 677 CG GLU A 752 -25.386 -0.442 -7.517 1.00 0.00 C ATOM 678 CD GLU A 752 -26.277 -1.337 -6.680 1.00 0.00 C ATOM 679 OE1 GLU A 752 -25.808 -2.416 -6.259 1.00 0.00 O ATOM 680 OE2 GLU A 752 -27.444 -0.960 -6.445 1.00 0.00 O ATOM 0 H GLU A 752 -21.463 1.644 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 752 -23.314 1.228 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -23.363 -0.827 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -24.311 0.014 -5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -25.937 0.457 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -25.129 -0.956 -8.444 1.00 0.00 H new ATOM 687 N ASN A 753 -24.509 3.413 -7.904 1.00 0.00 N ATOM 688 CA ASN A 753 -25.424 4.544 -7.796 1.00 0.00 C ATOM 689 C ASN A 753 -25.238 5.271 -6.468 1.00 0.00 C ATOM 690 O ASN A 753 -25.851 4.841 -5.468 1.00 0.00 O ATOM 691 CB ASN A 753 -26.872 4.069 -7.933 1.00 0.00 C ATOM 692 CG ASN A 753 -27.754 5.097 -8.614 1.00 0.00 C ATOM 693 OD1 ASN A 753 -28.732 5.573 -8.036 1.00 0.00 O ATOM 694 ND2 ASN A 753 -27.414 5.443 -9.850 1.00 0.00 N ATOM 695 OXT ASN A 753 -24.479 6.262 -6.440 1.00 0.00 O ATOM 0 H ASN A 753 -23.861 3.468 -8.690 1.00 0.00 H new ATOM 0 HA ASN A 753 -25.199 5.240 -8.604 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -26.895 3.140 -8.503 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -27.274 3.847 -6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -27.971 6.129 -10.359 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -26.595 5.023 -10.290 1.00 0.00 H new TER 702 ASN A 753