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 Single : A 711 SER OG : rot 180:sc= 0 USER MOD Single : A 712 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.228) USER MOD Single : A 716 SER OG : rot 180:sc= 0.112 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= -0.0688 K(o=-0.069,f=-1.6!) USER MOD Single : A 731 THR OG1 : rot -60:sc= 1.18 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= -1.01 K(o=-1,f=-0.12) USER MOD Single : A 746 MET CE :methyl -151:sc= -0.298 (180deg=-1.38!) USER MOD Single : A 750 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 17.246 -5.389 4.846 1.00 0.00 N ATOM 2 CA SER A 711 15.770 -5.549 4.768 1.00 0.00 C ATOM 3 C SER A 711 15.135 -5.478 6.153 1.00 0.00 C ATOM 4 O SER A 711 14.071 -4.881 6.329 1.00 0.00 O ATOM 5 CB SER A 711 15.460 -6.896 4.113 1.00 0.00 C ATOM 6 OG SER A 711 15.566 -6.815 2.702 1.00 0.00 O ATOM 0 HA SER A 711 15.352 -4.737 4.173 1.00 0.00 H new ATOM 0 HB2 SER A 711 16.148 -7.653 4.489 1.00 0.00 H new ATOM 0 HB3 SER A 711 14.454 -7.214 4.387 1.00 0.00 H new ATOM 0 HG SER A 711 15.365 -7.689 2.308 1.00 0.00 H new ATOM 14 N LYS A 712 15.792 -6.092 7.132 1.00 0.00 N ATOM 15 CA LYS A 712 15.290 -6.098 8.501 1.00 0.00 C ATOM 16 C LYS A 712 16.400 -5.755 9.489 1.00 0.00 C ATOM 17 O LYS A 712 16.214 -4.931 10.385 1.00 0.00 O ATOM 18 CB LYS A 712 14.694 -7.466 8.841 1.00 0.00 C ATOM 19 CG LYS A 712 13.674 -7.954 7.827 1.00 0.00 C ATOM 20 CD LYS A 712 12.564 -8.753 8.494 1.00 0.00 C ATOM 21 CE LYS A 712 11.939 -9.748 7.529 1.00 0.00 C ATOM 22 NZ LYS A 712 11.638 -9.128 6.208 1.00 0.00 N ATOM 0 H LYS A 712 16.672 -6.591 7.003 1.00 0.00 H new ATOM 0 HA LYS A 712 14.511 -5.339 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 712 15.500 -8.196 8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 712 14.222 -7.414 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 712 13.245 -7.101 7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 712 14.170 -8.572 7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 712 12.964 -9.284 9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 712 11.797 -8.073 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 712 12.615 -10.591 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 712 11.020 -10.145 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 11.021 -9.761 5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 11.157 -8.217 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 12.525 -8.972 5.688 1.00 0.00 H new ATOM 36 N LEU A 713 17.554 -6.391 9.318 1.00 0.00 N ATOM 37 CA LEU A 713 18.695 -6.153 10.196 1.00 0.00 C ATOM 38 C LEU A 713 18.352 -6.500 11.641 1.00 0.00 C ATOM 39 O LEU A 713 18.748 -5.798 12.571 1.00 0.00 O ATOM 40 CB LEU A 713 19.139 -4.692 10.101 1.00 0.00 C ATOM 41 CG LEU A 713 19.155 -4.109 8.687 1.00 0.00 C ATOM 42 CD1 LEU A 713 19.277 -2.594 8.735 1.00 0.00 C ATOM 43 CD2 LEU A 713 20.292 -4.712 7.876 1.00 0.00 C ATOM 0 H LEU A 713 17.724 -7.075 8.580 1.00 0.00 H new ATOM 0 HA LEU A 713 19.513 -6.797 9.872 1.00 0.00 H new ATOM 0 HB2 LEU A 713 18.477 -4.086 10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 713 20.139 -4.604 10.525 1.00 0.00 H new ATOM 0 HG LEU A 713 18.213 -4.361 8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 713 19.287 -2.197 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 713 18.429 -2.178 9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 713 20.203 -2.319 9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 713 20.289 -4.286 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 713 21.243 -4.490 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 713 20.160 -5.792 7.812 1.00 0.00 H new ATOM 55 N GLU A 714 17.613 -7.591 11.821 1.00 0.00 N ATOM 56 CA GLU A 714 17.216 -8.033 13.152 1.00 0.00 C ATOM 57 C GLU A 714 17.156 -9.555 13.223 1.00 0.00 C ATOM 58 O GLU A 714 17.468 -10.246 12.253 1.00 0.00 O ATOM 59 CB GLU A 714 15.859 -7.439 13.526 1.00 0.00 C ATOM 60 CG GLU A 714 15.955 -6.087 14.217 1.00 0.00 C ATOM 61 CD GLU A 714 15.837 -6.195 15.724 1.00 0.00 C ATOM 62 OE1 GLU A 714 14.766 -6.617 16.208 1.00 0.00 O ATOM 63 OE2 GLU A 714 16.814 -5.853 16.422 1.00 0.00 O ATOM 0 H GLU A 714 17.278 -8.184 11.062 1.00 0.00 H new ATOM 0 HA GLU A 714 17.965 -7.683 13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 714 15.257 -7.334 12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 714 15.335 -8.136 14.180 1.00 0.00 H new ATOM 0 HG2 GLU A 714 16.906 -5.620 13.963 1.00 0.00 H new ATOM 0 HG3 GLU A 714 15.168 -5.433 13.840 1.00 0.00 H new ATOM 70 N GLY A 715 16.749 -10.074 14.377 1.00 0.00 N ATOM 71 CA GLY A 715 16.653 -11.511 14.554 1.00 0.00 C ATOM 72 C GLY A 715 15.245 -12.028 14.342 1.00 0.00 C ATOM 73 O GLY A 715 14.770 -12.880 15.093 1.00 0.00 O ATOM 0 H GLY A 715 16.484 -9.524 15.194 1.00 0.00 H new ATOM 0 HA2 GLY A 715 17.328 -12.006 13.855 1.00 0.00 H new ATOM 0 HA3 GLY A 715 16.986 -11.773 15.558 1.00 0.00 H new ATOM 77 N SER A 716 14.575 -11.512 13.316 1.00 0.00 N ATOM 78 CA SER A 716 13.212 -11.928 13.006 1.00 0.00 C ATOM 79 C SER A 716 13.188 -12.863 11.802 1.00 0.00 C ATOM 80 O SER A 716 14.234 -13.300 11.322 1.00 0.00 O ATOM 81 CB SER A 716 12.333 -10.705 12.737 1.00 0.00 C ATOM 82 OG SER A 716 10.967 -10.998 12.968 1.00 0.00 O ATOM 0 H SER A 716 14.954 -10.805 12.686 1.00 0.00 H new ATOM 0 HA SER A 716 12.818 -12.467 13.867 1.00 0.00 H new ATOM 0 HB2 SER A 716 12.645 -9.881 13.379 1.00 0.00 H new ATOM 0 HB3 SER A 716 12.468 -10.376 11.707 1.00 0.00 H new ATOM 0 HG SER A 716 10.427 -10.200 12.791 1.00 0.00 H new ATOM 88 N GLU A 717 11.987 -13.164 11.317 1.00 0.00 N ATOM 89 CA GLU A 717 11.826 -14.046 10.168 1.00 0.00 C ATOM 90 C GLU A 717 10.468 -13.837 9.507 1.00 0.00 C ATOM 91 O GLU A 717 9.488 -13.505 10.172 1.00 0.00 O ATOM 92 CB GLU A 717 11.979 -15.507 10.594 1.00 0.00 C ATOM 93 CG GLU A 717 13.416 -16.003 10.562 1.00 0.00 C ATOM 94 CD GLU A 717 13.532 -17.421 10.035 1.00 0.00 C ATOM 95 OE1 GLU A 717 12.978 -18.339 10.677 1.00 0.00 O ATOM 96 OE2 GLU A 717 14.175 -17.612 8.982 1.00 0.00 O ATOM 0 H GLU A 717 11.112 -12.810 11.702 1.00 0.00 H new ATOM 0 HA GLU A 717 12.604 -13.803 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 717 11.585 -15.626 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 717 11.373 -16.133 9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 717 14.012 -15.337 9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 717 13.835 -15.958 11.567 1.00 0.00 H new ATOM 103 N ASP A 718 10.418 -14.034 8.193 1.00 0.00 N ATOM 104 CA ASP A 718 9.179 -13.867 7.442 1.00 0.00 C ATOM 105 C ASP A 718 8.656 -12.439 7.565 1.00 0.00 C ATOM 106 O ASP A 718 9.118 -11.668 8.408 1.00 0.00 O ATOM 107 CB ASP A 718 8.121 -14.854 7.936 1.00 0.00 C ATOM 108 CG ASP A 718 8.223 -16.202 7.251 1.00 0.00 C ATOM 109 OD1 ASP A 718 8.605 -16.236 6.061 1.00 0.00 O ATOM 110 OD2 ASP A 718 7.918 -17.224 7.901 1.00 0.00 O ATOM 0 H ASP A 718 11.221 -14.309 7.627 1.00 0.00 H new ATOM 0 HA ASP A 718 9.391 -14.068 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 718 8.227 -14.988 9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 718 7.129 -14.436 7.763 1.00 0.00 H new ATOM 115 N SER A 719 7.692 -12.092 6.719 1.00 0.00 N ATOM 116 CA SER A 719 7.105 -10.756 6.733 1.00 0.00 C ATOM 117 C SER A 719 5.636 -10.812 7.140 1.00 0.00 C ATOM 118 O SER A 719 4.764 -11.086 6.315 1.00 0.00 O ATOM 119 CB SER A 719 7.243 -10.102 5.357 1.00 0.00 C ATOM 120 OG SER A 719 7.129 -8.693 5.448 1.00 0.00 O ATOM 0 H SER A 719 7.300 -12.717 6.015 1.00 0.00 H new ATOM 0 HA SER A 719 7.643 -10.156 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 719 8.207 -10.364 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 719 6.475 -10.490 4.688 1.00 0.00 H new ATOM 0 HG SER A 719 7.222 -8.299 4.556 1.00 0.00 H new ATOM 126 N LEU A 720 5.371 -10.547 8.415 1.00 0.00 N ATOM 127 CA LEU A 720 4.006 -10.566 8.930 1.00 0.00 C ATOM 128 C LEU A 720 3.785 -9.436 9.930 1.00 0.00 C ATOM 129 O LEU A 720 3.083 -9.602 10.927 1.00 0.00 O ATOM 130 CB LEU A 720 3.707 -11.914 9.591 1.00 0.00 C ATOM 131 CG LEU A 720 2.275 -12.421 9.406 1.00 0.00 C ATOM 132 CD1 LEU A 720 1.274 -11.375 9.868 1.00 0.00 C ATOM 133 CD2 LEU A 720 2.026 -12.794 7.953 1.00 0.00 C ATOM 0 H LEU A 720 6.082 -10.317 9.110 1.00 0.00 H new ATOM 0 HA LEU A 720 3.326 -10.421 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 720 4.395 -12.659 9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 720 3.912 -11.832 10.658 1.00 0.00 H new ATOM 0 HG LEU A 720 2.144 -13.314 10.018 1.00 0.00 H new ATOM 0 HD11 LEU A 720 0.261 -11.754 9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 720 1.437 -11.156 10.923 1.00 0.00 H new ATOM 0 HD13 LEU A 720 1.404 -10.464 9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 720 1.003 -13.152 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 720 2.176 -11.918 7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 720 2.721 -13.579 7.655 1.00 0.00 H new ATOM 145 N TYR A 721 4.393 -8.285 9.656 1.00 0.00 N ATOM 146 CA TYR A 721 4.262 -7.126 10.531 1.00 0.00 C ATOM 147 C TYR A 721 4.654 -5.846 9.808 1.00 0.00 C ATOM 148 O TYR A 721 3.996 -4.814 9.944 1.00 0.00 O ATOM 149 CB TYR A 721 5.126 -7.306 11.781 1.00 0.00 C ATOM 150 CG TYR A 721 4.385 -7.920 12.947 1.00 0.00 C ATOM 151 CD1 TYR A 721 3.410 -7.202 13.630 1.00 0.00 C ATOM 152 CD2 TYR A 721 4.659 -9.216 13.365 1.00 0.00 C ATOM 153 CE1 TYR A 721 2.730 -7.759 14.696 1.00 0.00 C ATOM 154 CE2 TYR A 721 3.983 -9.780 14.430 1.00 0.00 C ATOM 155 CZ TYR A 721 3.020 -9.048 15.093 1.00 0.00 C ATOM 156 OH TYR A 721 2.345 -9.606 16.154 1.00 0.00 O ATOM 0 H TYR A 721 4.980 -8.131 8.836 1.00 0.00 H new ATOM 0 HA TYR A 721 3.216 -7.044 10.827 1.00 0.00 H new ATOM 0 HB2 TYR A 721 5.981 -7.935 11.534 1.00 0.00 H new ATOM 0 HB3 TYR A 721 5.520 -6.336 12.083 1.00 0.00 H new ATOM 0 HD1 TYR A 721 3.180 -6.193 13.322 1.00 0.00 H new ATOM 0 HD2 TYR A 721 5.413 -9.792 12.849 1.00 0.00 H new ATOM 0 HE1 TYR A 721 1.975 -7.188 15.216 1.00 0.00 H new ATOM 0 HE2 TYR A 721 4.208 -10.789 14.742 1.00 0.00 H new ATOM 0 HH TYR A 721 2.668 -10.519 16.303 1.00 0.00 H new ATOM 166 N SER A 722 5.727 -5.924 9.040 1.00 0.00 N ATOM 167 CA SER A 722 6.221 -4.779 8.284 1.00 0.00 C ATOM 168 C SER A 722 5.133 -4.204 7.381 1.00 0.00 C ATOM 169 O SER A 722 5.166 -3.026 7.029 1.00 0.00 O ATOM 170 CB SER A 722 7.436 -5.181 7.445 1.00 0.00 C ATOM 171 OG SER A 722 8.450 -5.750 8.255 1.00 0.00 O ATOM 0 H SER A 722 6.279 -6.774 8.921 1.00 0.00 H new ATOM 0 HA SER A 722 6.516 -4.009 8.997 1.00 0.00 H new ATOM 0 HB2 SER A 722 7.133 -5.896 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 722 7.829 -4.307 6.926 1.00 0.00 H new ATOM 0 HG SER A 722 9.214 -6.000 7.695 1.00 0.00 H new ATOM 177 N ASP A 723 4.168 -5.042 7.011 1.00 0.00 N ATOM 178 CA ASP A 723 3.072 -4.608 6.152 1.00 0.00 C ATOM 179 C ASP A 723 2.211 -3.568 6.860 1.00 0.00 C ATOM 180 O ASP A 723 2.035 -2.453 6.371 1.00 0.00 O ATOM 181 CB ASP A 723 2.214 -5.805 5.740 1.00 0.00 C ATOM 182 CG ASP A 723 3.043 -6.945 5.179 1.00 0.00 C ATOM 183 OD1 ASP A 723 3.500 -6.832 4.023 1.00 0.00 O ATOM 184 OD2 ASP A 723 3.233 -7.949 5.896 1.00 0.00 O ATOM 0 H ASP A 723 4.123 -6.022 7.292 1.00 0.00 H new ATOM 0 HA ASP A 723 3.499 -4.154 5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 723 1.651 -6.159 6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 723 1.486 -5.487 4.994 1.00 0.00 H new ATOM 189 N TYR A 724 1.677 -3.943 8.020 1.00 0.00 N ATOM 190 CA TYR A 724 0.839 -3.048 8.803 1.00 0.00 C ATOM 191 C TYR A 724 1.663 -1.890 9.363 1.00 0.00 C ATOM 192 O TYR A 724 1.158 -0.782 9.539 1.00 0.00 O ATOM 193 CB TYR A 724 0.162 -3.826 9.939 1.00 0.00 C ATOM 194 CG TYR A 724 -0.185 -2.981 11.145 1.00 0.00 C ATOM 195 CD1 TYR A 724 0.772 -2.687 12.106 1.00 0.00 C ATOM 196 CD2 TYR A 724 -1.467 -2.475 11.319 1.00 0.00 C ATOM 197 CE1 TYR A 724 0.465 -1.913 13.207 1.00 0.00 C ATOM 198 CE2 TYR A 724 -1.783 -1.700 12.417 1.00 0.00 C ATOM 199 CZ TYR A 724 -0.815 -1.422 13.359 1.00 0.00 C ATOM 200 OH TYR A 724 -1.126 -0.649 14.455 1.00 0.00 O ATOM 0 H TYR A 724 1.812 -4.864 8.437 1.00 0.00 H new ATOM 0 HA TYR A 724 0.069 -2.632 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 724 -0.749 -4.286 9.557 1.00 0.00 H new ATOM 0 HB3 TYR A 724 0.821 -4.636 10.253 1.00 0.00 H new ATOM 0 HD1 TYR A 724 1.775 -3.071 11.990 1.00 0.00 H new ATOM 0 HD2 TYR A 724 -2.228 -2.691 10.584 1.00 0.00 H new ATOM 0 HE1 TYR A 724 1.222 -1.693 13.945 1.00 0.00 H new ATOM 0 HE2 TYR A 724 -2.784 -1.313 12.538 1.00 0.00 H new ATOM 0 HH TYR A 724 -2.068 -0.383 14.411 1.00 0.00 H new ATOM 210 N VAL A 725 2.932 -2.160 9.645 1.00 0.00 N ATOM 211 CA VAL A 725 3.830 -1.147 10.188 1.00 0.00 C ATOM 212 C VAL A 725 4.316 -0.201 9.093 1.00 0.00 C ATOM 213 O VAL A 725 4.577 0.975 9.347 1.00 0.00 O ATOM 214 CB VAL A 725 5.041 -1.800 10.884 1.00 0.00 C ATOM 215 CG1 VAL A 725 6.065 -0.752 11.306 1.00 0.00 C ATOM 216 CG2 VAL A 725 4.584 -2.620 12.083 1.00 0.00 C ATOM 0 H VAL A 725 3.363 -3.074 9.506 1.00 0.00 H new ATOM 0 HA VAL A 725 3.267 -0.573 10.924 1.00 0.00 H new ATOM 0 HB VAL A 725 5.524 -2.467 10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 725 6.907 -1.242 11.794 1.00 0.00 H new ATOM 0 HG12 VAL A 725 6.418 -0.214 10.427 1.00 0.00 H new ATOM 0 HG13 VAL A 725 5.602 -0.050 12.000 1.00 0.00 H new ATOM 0 HG21 VAL A 725 5.450 -3.075 12.564 1.00 0.00 H new ATOM 0 HG22 VAL A 725 4.073 -1.971 12.794 1.00 0.00 H new ATOM 0 HG23 VAL A 725 3.901 -3.402 11.750 1.00 0.00 H new ATOM 226 N ASP A 726 4.435 -0.722 7.876 1.00 0.00 N ATOM 227 CA ASP A 726 4.890 0.077 6.743 1.00 0.00 C ATOM 228 C ASP A 726 3.984 1.288 6.534 1.00 0.00 C ATOM 229 O ASP A 726 4.415 2.314 6.007 1.00 0.00 O ATOM 230 CB ASP A 726 4.924 -0.774 5.473 1.00 0.00 C ATOM 231 CG ASP A 726 6.303 -1.339 5.194 1.00 0.00 C ATOM 232 OD1 ASP A 726 7.076 -1.521 6.157 1.00 0.00 O ATOM 233 OD2 ASP A 726 6.610 -1.598 4.011 1.00 0.00 O ATOM 0 H ASP A 726 4.223 -1.693 7.649 1.00 0.00 H new ATOM 0 HA ASP A 726 5.897 0.432 6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 726 4.211 -1.593 5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 726 4.603 -0.169 4.625 1.00 0.00 H new ATOM 238 N VAL A 727 2.729 1.161 6.951 1.00 0.00 N ATOM 239 CA VAL A 727 1.763 2.245 6.810 1.00 0.00 C ATOM 240 C VAL A 727 2.202 3.478 7.592 1.00 0.00 C ATOM 241 O VAL A 727 2.030 4.608 7.136 1.00 0.00 O ATOM 242 CB VAL A 727 0.364 1.819 7.291 1.00 0.00 C ATOM 243 CG1 VAL A 727 -0.667 2.882 6.948 1.00 0.00 C ATOM 244 CG2 VAL A 727 -0.022 0.477 6.690 1.00 0.00 C ATOM 0 H VAL A 727 2.357 0.319 7.389 1.00 0.00 H new ATOM 0 HA VAL A 727 1.715 2.488 5.749 1.00 0.00 H new ATOM 0 HB VAL A 727 0.391 1.711 8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 727 -1.649 2.562 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 727 -0.398 3.820 7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 727 -0.695 3.027 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 727 -1.014 0.193 7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 727 -0.031 0.554 5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 727 0.701 -0.279 6.994 1.00 0.00 H new ATOM 254 N PHE A 728 2.772 3.253 8.771 1.00 0.00 N ATOM 255 CA PHE A 728 3.237 4.346 9.617 1.00 0.00 C ATOM 256 C PHE A 728 4.675 4.724 9.275 1.00 0.00 C ATOM 257 O PHE A 728 5.061 5.889 9.369 1.00 0.00 O ATOM 258 CB PHE A 728 3.137 3.955 11.093 1.00 0.00 C ATOM 259 CG PHE A 728 1.786 3.429 11.484 1.00 0.00 C ATOM 260 CD1 PHE A 728 1.454 2.102 11.262 1.00 0.00 C ATOM 261 CD2 PHE A 728 0.849 4.262 12.074 1.00 0.00 C ATOM 262 CE1 PHE A 728 0.211 1.615 11.621 1.00 0.00 C ATOM 263 CE2 PHE A 728 -0.396 3.780 12.435 1.00 0.00 C ATOM 264 CZ PHE A 728 -0.716 2.456 12.209 1.00 0.00 C ATOM 0 H PHE A 728 2.923 2.323 9.162 1.00 0.00 H new ATOM 0 HA PHE A 728 2.599 5.211 9.434 1.00 0.00 H new ATOM 0 HB2 PHE A 728 3.890 3.198 11.312 1.00 0.00 H new ATOM 0 HB3 PHE A 728 3.371 4.824 11.707 1.00 0.00 H new ATOM 0 HD1 PHE A 728 2.174 1.441 10.803 1.00 0.00 H new ATOM 0 HD2 PHE A 728 1.093 5.298 12.254 1.00 0.00 H new ATOM 0 HE1 PHE A 728 -0.036 0.579 11.442 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -1.118 4.439 12.894 1.00 0.00 H new ATOM 0 HZ PHE A 728 -1.688 2.078 12.491 1.00 0.00 H new ATOM 274 N TYR A 729 5.464 3.730 8.879 1.00 0.00 N ATOM 275 CA TYR A 729 6.860 3.957 8.524 1.00 0.00 C ATOM 276 C TYR A 729 6.970 4.898 7.328 1.00 0.00 C ATOM 277 O TYR A 729 7.766 5.838 7.335 1.00 0.00 O ATOM 278 CB TYR A 729 7.552 2.631 8.209 1.00 0.00 C ATOM 279 CG TYR A 729 8.988 2.569 8.678 1.00 0.00 C ATOM 280 CD1 TYR A 729 9.311 2.754 10.016 1.00 0.00 C ATOM 281 CD2 TYR A 729 10.021 2.326 7.782 1.00 0.00 C ATOM 282 CE1 TYR A 729 10.622 2.698 10.449 1.00 0.00 C ATOM 283 CE2 TYR A 729 11.334 2.270 8.206 1.00 0.00 C ATOM 284 CZ TYR A 729 11.630 2.455 9.539 1.00 0.00 C ATOM 285 OH TYR A 729 12.937 2.400 9.966 1.00 0.00 O ATOM 0 H TYR A 729 5.160 2.760 8.796 1.00 0.00 H new ATOM 0 HA TYR A 729 7.354 4.422 9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 729 6.992 1.820 8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 729 7.523 2.463 7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 729 8.524 2.945 10.730 1.00 0.00 H new ATOM 0 HD2 TYR A 729 9.794 2.178 6.737 1.00 0.00 H new ATOM 0 HE1 TYR A 729 10.856 2.844 11.493 1.00 0.00 H new ATOM 0 HE2 TYR A 729 12.126 2.082 7.496 1.00 0.00 H new ATOM 0 HH TYR A 729 13.523 2.220 9.202 1.00 0.00 H new ATOM 295 N ASN A 730 6.167 4.637 6.301 1.00 0.00 N ATOM 296 CA ASN A 730 6.175 5.462 5.098 1.00 0.00 C ATOM 297 C ASN A 730 5.813 6.906 5.425 1.00 0.00 C ATOM 298 O ASN A 730 4.994 7.168 6.306 1.00 0.00 O ATOM 299 CB ASN A 730 5.195 4.900 4.065 1.00 0.00 C ATOM 300 CG ASN A 730 5.848 3.891 3.139 1.00 0.00 C ATOM 301 OD1 ASN A 730 6.989 3.485 3.350 1.00 0.00 O ATOM 302 ND2 ASN A 730 5.121 3.484 2.104 1.00 0.00 N ATOM 0 H ASN A 730 5.504 3.862 6.278 1.00 0.00 H new ATOM 0 HA ASN A 730 7.182 5.445 4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 730 4.359 4.428 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 730 4.784 5.719 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 730 5.506 2.807 1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 730 4.178 3.848 1.968 1.00 0.00 H new ATOM 309 N THR A 731 6.429 7.842 4.709 1.00 0.00 N ATOM 310 CA THR A 731 6.173 9.261 4.923 1.00 0.00 C ATOM 311 C THR A 731 6.731 10.095 3.775 1.00 0.00 C ATOM 312 O THR A 731 7.175 11.225 3.973 1.00 0.00 O ATOM 313 CB THR A 731 6.789 9.719 6.247 1.00 0.00 C ATOM 314 OG1 THR A 731 6.650 11.118 6.406 1.00 0.00 O ATOM 315 CG2 THR A 731 8.260 9.386 6.368 1.00 0.00 C ATOM 0 H THR A 731 7.109 7.642 3.975 1.00 0.00 H new ATOM 0 HA THR A 731 5.093 9.406 4.963 1.00 0.00 H new ATOM 0 HB THR A 731 6.246 9.178 7.022 1.00 0.00 H new ATOM 0 HG1 THR A 731 7.103 11.578 5.668 1.00 0.00 H new ATOM 0 HG21 THR A 731 8.635 9.738 7.329 1.00 0.00 H new ATOM 0 HG22 THR A 731 8.396 8.307 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 731 8.811 9.873 5.563 1.00 0.00 H new ATOM 323 N LYS A 732 6.707 9.527 2.574 1.00 0.00 N ATOM 324 CA LYS A 732 7.212 10.219 1.392 1.00 0.00 C ATOM 325 C LYS A 732 6.433 9.804 0.145 1.00 0.00 C ATOM 326 O LYS A 732 6.914 9.010 -0.664 1.00 0.00 O ATOM 327 CB LYS A 732 8.701 9.924 1.199 1.00 0.00 C ATOM 328 CG LYS A 732 9.613 10.900 1.923 1.00 0.00 C ATOM 329 CD LYS A 732 9.863 12.148 1.094 1.00 0.00 C ATOM 330 CE LYS A 732 10.992 11.938 0.098 1.00 0.00 C ATOM 331 NZ LYS A 732 11.065 13.039 -0.901 1.00 0.00 N ATOM 0 H LYS A 732 6.344 8.591 2.393 1.00 0.00 H new ATOM 0 HA LYS A 732 7.078 11.290 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 732 8.911 8.914 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 732 8.932 9.945 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 732 9.165 11.179 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 732 10.563 10.414 2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 732 8.952 12.421 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 732 10.108 12.981 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 732 11.939 11.870 0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 732 10.848 10.989 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 11.848 12.857 -1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 10.171 13.088 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 11.228 13.942 -0.411 1.00 0.00 H new ATOM 345 N PRO A 733 5.213 10.343 -0.028 1.00 0.00 N ATOM 346 CA PRO A 733 4.367 10.026 -1.184 1.00 0.00 C ATOM 347 C PRO A 733 4.914 10.616 -2.480 1.00 0.00 C ATOM 348 O PRO A 733 5.013 11.835 -2.626 1.00 0.00 O ATOM 349 CB PRO A 733 3.025 10.668 -0.830 1.00 0.00 C ATOM 350 CG PRO A 733 3.370 11.775 0.106 1.00 0.00 C ATOM 351 CD PRO A 733 4.564 11.300 0.887 1.00 0.00 C ATOM 0 HA PRO A 733 4.306 8.952 -1.362 1.00 0.00 H new ATOM 0 HB2 PRO A 733 2.519 11.044 -1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 733 2.353 9.949 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 733 3.600 12.690 -0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 733 2.535 12.000 0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 733 5.229 12.124 1.144 1.00 0.00 H new ATOM 0 HD3 PRO A 733 4.269 10.825 1.822 1.00 0.00 H new ATOM 359 N TYR A 734 5.269 9.744 -3.418 1.00 0.00 N ATOM 360 CA TYR A 734 5.807 10.178 -4.702 1.00 0.00 C ATOM 361 C TYR A 734 6.000 8.992 -5.640 1.00 0.00 C ATOM 362 O TYR A 734 6.961 8.945 -6.408 1.00 0.00 O ATOM 363 CB TYR A 734 7.137 10.909 -4.501 1.00 0.00 C ATOM 364 CG TYR A 734 7.317 12.100 -5.413 1.00 0.00 C ATOM 365 CD1 TYR A 734 7.672 11.932 -6.746 1.00 0.00 C ATOM 366 CD2 TYR A 734 7.134 13.394 -4.943 1.00 0.00 C ATOM 367 CE1 TYR A 734 7.839 13.018 -7.584 1.00 0.00 C ATOM 368 CE2 TYR A 734 7.299 14.486 -5.773 1.00 0.00 C ATOM 369 CZ TYR A 734 7.650 14.293 -7.092 1.00 0.00 C ATOM 370 OH TYR A 734 7.816 15.377 -7.923 1.00 0.00 O ATOM 0 H TYR A 734 5.194 8.732 -3.313 1.00 0.00 H new ATOM 0 HA TYR A 734 5.090 10.862 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 734 7.206 11.241 -3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 734 7.956 10.208 -4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 734 7.820 10.935 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 734 6.858 13.549 -3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 734 8.116 12.870 -8.617 1.00 0.00 H new ATOM 0 HE2 TYR A 734 7.154 15.486 -5.391 1.00 0.00 H new ATOM 0 HH TYR A 734 7.645 16.202 -7.423 1.00 0.00 H new ATOM 380 N LYS A 735 5.080 8.035 -5.573 1.00 0.00 N ATOM 381 CA LYS A 735 5.150 6.848 -6.418 1.00 0.00 C ATOM 382 C LYS A 735 3.832 6.626 -7.152 1.00 0.00 C ATOM 383 O LYS A 735 2.794 6.398 -6.534 1.00 0.00 O ATOM 384 CB LYS A 735 5.490 5.617 -5.575 1.00 0.00 C ATOM 385 CG LYS A 735 6.914 5.618 -5.045 1.00 0.00 C ATOM 386 CD LYS A 735 7.011 4.906 -3.705 1.00 0.00 C ATOM 387 CE LYS A 735 6.658 3.433 -3.829 1.00 0.00 C ATOM 388 NZ LYS A 735 7.871 2.580 -3.966 1.00 0.00 N ATOM 0 H LYS A 735 4.278 8.058 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 735 5.936 7.003 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 735 4.798 5.560 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 735 5.335 4.721 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 735 7.572 5.131 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 735 7.263 6.645 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 735 8.022 5.007 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 735 6.341 5.383 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 735 6.092 3.120 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 735 6.012 3.286 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 7.587 1.583 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 8.398 2.861 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 8.476 2.700 -3.129 1.00 0.00 H new ATOM 402 N HIS A 736 3.883 6.693 -8.480 1.00 0.00 N ATOM 403 CA HIS A 736 2.694 6.498 -9.301 1.00 0.00 C ATOM 404 C HIS A 736 2.400 5.015 -9.489 1.00 0.00 C ATOM 405 O HIS A 736 3.267 4.167 -9.278 1.00 0.00 O ATOM 406 CB HIS A 736 2.874 7.171 -10.662 1.00 0.00 C ATOM 407 CG HIS A 736 2.733 8.661 -10.617 1.00 0.00 C ATOM 408 ND1 HIS A 736 1.674 9.336 -11.189 1.00 0.00 N ATOM 409 CD2 HIS A 736 3.523 9.610 -10.062 1.00 0.00 C ATOM 410 CE1 HIS A 736 1.821 10.633 -10.989 1.00 0.00 C ATOM 411 NE2 HIS A 736 2.934 10.826 -10.307 1.00 0.00 N ATOM 0 H HIS A 736 4.735 6.881 -9.009 1.00 0.00 H new ATOM 0 HA HIS A 736 1.848 6.954 -8.786 1.00 0.00 H new ATOM 0 HB2 HIS A 736 3.859 6.919 -11.055 1.00 0.00 H new ATOM 0 HB3 HIS A 736 2.140 6.766 -11.358 1.00 0.00 H new ATOM 0 HD2 HIS A 736 4.445 9.442 -9.526 1.00 0.00 H new ATOM 0 HE1 HIS A 736 1.145 11.405 -11.326 1.00 0.00 H new ATOM 0 HE2 HIS A 736 3.298 11.731 -10.010 1.00 0.00 H new ATOM 420 N ARG A 737 1.170 4.706 -9.887 1.00 0.00 N ATOM 421 CA ARG A 737 0.760 3.323 -10.103 1.00 0.00 C ATOM 422 C ARG A 737 -0.420 3.249 -11.067 1.00 0.00 C ATOM 423 O ARG A 737 -1.293 4.116 -11.061 1.00 0.00 O ATOM 424 CB ARG A 737 0.391 2.664 -8.774 1.00 0.00 C ATOM 425 CG ARG A 737 0.807 1.204 -8.682 1.00 0.00 C ATOM 426 CD ARG A 737 2.124 1.046 -7.943 1.00 0.00 C ATOM 427 NE ARG A 737 2.020 1.452 -6.542 1.00 0.00 N ATOM 428 CZ ARG A 737 2.893 1.103 -5.603 1.00 0.00 C ATOM 429 NH1 ARG A 737 3.938 0.342 -5.906 1.00 0.00 N ATOM 430 NH2 ARG A 737 2.724 1.516 -4.354 1.00 0.00 N ATOM 0 H ARG A 737 0.440 5.395 -10.067 1.00 0.00 H new ATOM 0 HA ARG A 737 1.600 2.787 -10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 737 0.859 3.218 -7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -0.687 2.736 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 737 0.031 0.635 -8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 737 0.899 0.787 -9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 737 2.446 0.006 -7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 737 2.891 1.643 -8.437 1.00 0.00 H new ATOM 0 HE ARG A 737 1.231 2.038 -6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 737 4.075 0.021 -6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 737 4.604 0.078 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 737 1.924 2.101 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 737 3.394 1.248 -3.633 1.00 0.00 H new ATOM 444 N ASP A 738 -0.438 2.208 -11.894 1.00 0.00 N ATOM 445 CA ASP A 738 -1.510 2.021 -12.863 1.00 0.00 C ATOM 446 C ASP A 738 -2.741 1.408 -12.202 1.00 0.00 C ATOM 447 O ASP A 738 -3.874 1.746 -12.542 1.00 0.00 O ATOM 448 CB ASP A 738 -1.038 1.129 -14.012 1.00 0.00 C ATOM 449 CG ASP A 738 0.098 1.752 -14.798 1.00 0.00 C ATOM 450 OD1 ASP A 738 -0.165 2.693 -15.578 1.00 0.00 O ATOM 451 OD2 ASP A 738 1.252 1.301 -14.635 1.00 0.00 O ATOM 0 H ASP A 738 0.278 1.482 -11.912 1.00 0.00 H new ATOM 0 HA ASP A 738 -1.781 3.000 -13.259 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -0.715 0.167 -13.613 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -1.875 0.932 -14.682 1.00 0.00 H new ATOM 456 N ASP A 739 -2.511 0.505 -11.255 1.00 0.00 N ATOM 457 CA ASP A 739 -3.599 -0.156 -10.546 1.00 0.00 C ATOM 458 C ASP A 739 -4.383 0.838 -9.692 1.00 0.00 C ATOM 459 O ASP A 739 -5.564 0.635 -9.412 1.00 0.00 O ATOM 460 CB ASP A 739 -3.054 -1.281 -9.667 1.00 0.00 C ATOM 461 CG ASP A 739 -2.220 -2.275 -10.450 1.00 0.00 C ATOM 462 OD1 ASP A 739 -2.806 -3.075 -11.209 1.00 0.00 O ATOM 463 OD2 ASP A 739 -0.980 -2.253 -10.308 1.00 0.00 O ATOM 0 H ASP A 739 -1.579 0.214 -10.961 1.00 0.00 H new ATOM 0 HA ASP A 739 -4.275 -0.578 -11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -2.449 -0.853 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -3.885 -1.803 -9.193 1.00 0.00 H new ATOM 468 N ARG A 740 -3.715 1.910 -9.274 1.00 0.00 N ATOM 469 CA ARG A 740 -4.347 2.932 -8.443 1.00 0.00 C ATOM 470 C ARG A 740 -5.633 3.454 -9.082 1.00 0.00 C ATOM 471 O ARG A 740 -6.667 3.552 -8.422 1.00 0.00 O ATOM 472 CB ARG A 740 -3.378 4.092 -8.204 1.00 0.00 C ATOM 473 CG ARG A 740 -3.430 4.646 -6.788 1.00 0.00 C ATOM 474 CD ARG A 740 -3.152 6.140 -6.766 1.00 0.00 C ATOM 475 NE ARG A 740 -1.743 6.430 -6.515 1.00 0.00 N ATOM 476 CZ ARG A 740 -1.291 7.612 -6.100 1.00 0.00 C ATOM 477 NH1 ARG A 740 -2.135 8.614 -5.886 1.00 0.00 N ATOM 478 NH2 ARG A 740 0.007 7.791 -5.896 1.00 0.00 N ATOM 0 H ARG A 740 -2.737 2.094 -9.497 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.604 2.472 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.363 3.757 -8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.603 4.894 -8.908 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -4.411 4.451 -6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -2.699 4.129 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -3.448 6.578 -7.719 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -3.762 6.611 -5.995 1.00 0.00 H new ATOM 0 HE ARG A 740 -1.065 5.683 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -3.135 8.480 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -1.784 9.517 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 740 0.659 7.023 -6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 740 0.353 8.696 -5.578 1.00 0.00 H new ATOM 492 N LEU A 741 -5.562 3.792 -10.367 1.00 0.00 N ATOM 493 CA LEU A 741 -6.725 4.305 -11.083 1.00 0.00 C ATOM 494 C LEU A 741 -7.872 3.302 -11.051 1.00 0.00 C ATOM 495 O LEU A 741 -9.040 3.684 -10.985 1.00 0.00 O ATOM 496 CB LEU A 741 -6.357 4.643 -12.530 1.00 0.00 C ATOM 497 CG LEU A 741 -6.066 3.437 -13.428 1.00 0.00 C ATOM 498 CD1 LEU A 741 -7.248 3.146 -14.340 1.00 0.00 C ATOM 499 CD2 LEU A 741 -4.805 3.673 -14.247 1.00 0.00 C ATOM 0 H LEU A 741 -4.715 3.720 -10.931 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.054 5.216 -10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -7.173 5.216 -12.971 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -5.480 5.291 -12.523 1.00 0.00 H new ATOM 0 HG LEU A 741 -5.906 2.568 -12.790 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -7.019 2.286 -14.969 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -8.129 2.930 -13.736 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -7.444 4.014 -14.970 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.614 2.806 -14.879 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.937 4.556 -14.873 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -3.959 3.827 -13.577 1.00 0.00 H new ATOM 511 N LEU A 742 -7.534 2.017 -11.089 1.00 0.00 N ATOM 512 CA LEU A 742 -8.541 0.965 -11.056 1.00 0.00 C ATOM 513 C LEU A 742 -9.271 0.973 -9.718 1.00 0.00 C ATOM 514 O LEU A 742 -10.454 0.643 -9.642 1.00 0.00 O ATOM 515 CB LEU A 742 -7.897 -0.401 -11.296 1.00 0.00 C ATOM 516 CG LEU A 742 -7.814 -0.829 -12.761 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.619 -1.745 -12.983 1.00 0.00 C ATOM 518 CD2 LEU A 742 -9.102 -1.517 -13.188 1.00 0.00 C ATOM 0 H LEU A 742 -6.573 1.681 -11.143 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.262 1.154 -11.851 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.890 -0.389 -10.879 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.461 -1.153 -10.745 1.00 0.00 H new ATOM 0 HG LEU A 742 -7.681 0.063 -13.374 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -6.576 -2.039 -14.032 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.703 -1.219 -12.716 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -6.721 -2.634 -12.360 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -9.026 -1.815 -14.234 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -9.265 -2.400 -12.570 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -9.939 -0.830 -13.067 1.00 0.00 H new ATOM 530 N GLN A 743 -8.556 1.360 -8.665 1.00 0.00 N ATOM 531 CA GLN A 743 -9.135 1.418 -7.331 1.00 0.00 C ATOM 532 C GLN A 743 -10.255 2.450 -7.276 1.00 0.00 C ATOM 533 O GLN A 743 -11.318 2.198 -6.710 1.00 0.00 O ATOM 534 CB GLN A 743 -8.058 1.759 -6.298 1.00 0.00 C ATOM 535 CG GLN A 743 -6.886 0.791 -6.299 1.00 0.00 C ATOM 536 CD GLN A 743 -7.321 -0.650 -6.120 1.00 0.00 C ATOM 537 OE1 GLN A 743 -7.277 -1.192 -5.015 1.00 0.00 O ATOM 538 NE2 GLN A 743 -7.745 -1.280 -7.209 1.00 0.00 N ATOM 0 H GLN A 743 -7.576 1.637 -8.712 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.552 0.439 -7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.687 2.766 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.509 1.770 -5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.340 0.888 -7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -6.196 1.061 -5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.765 -0.793 -8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -8.051 -2.251 -7.150 1.00 0.00 H new ATOM 547 N ALA A 744 -10.010 3.615 -7.869 1.00 0.00 N ATOM 548 CA ALA A 744 -10.999 4.683 -7.887 1.00 0.00 C ATOM 549 C ALA A 744 -12.173 4.328 -8.793 1.00 0.00 C ATOM 550 O ALA A 744 -13.332 4.461 -8.402 1.00 0.00 O ATOM 551 CB ALA A 744 -10.360 5.990 -8.333 1.00 0.00 C ATOM 0 H ALA A 744 -9.135 3.841 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.381 4.808 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.112 6.779 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.561 6.258 -7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.949 5.870 -9.335 1.00 0.00 H new ATOM 557 N LEU A 745 -11.865 3.870 -10.001 1.00 0.00 N ATOM 558 CA LEU A 745 -12.899 3.490 -10.955 1.00 0.00 C ATOM 559 C LEU A 745 -13.714 2.323 -10.417 1.00 0.00 C ATOM 560 O LEU A 745 -14.944 2.331 -10.471 1.00 0.00 O ATOM 561 CB LEU A 745 -12.274 3.116 -12.303 1.00 0.00 C ATOM 562 CG LEU A 745 -11.287 4.139 -12.869 1.00 0.00 C ATOM 563 CD1 LEU A 745 -10.243 3.454 -13.738 1.00 0.00 C ATOM 564 CD2 LEU A 745 -12.026 5.208 -13.664 1.00 0.00 C ATOM 0 H LEU A 745 -10.911 3.753 -10.342 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.561 4.344 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.760 2.161 -12.195 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -13.074 2.967 -13.028 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.775 4.620 -12.035 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.551 4.199 -14.131 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.693 2.727 -13.141 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.736 2.945 -14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -11.309 5.928 -14.060 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.564 4.741 -14.489 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.734 5.721 -13.013 1.00 0.00 H new ATOM 576 N MET A 746 -13.018 1.320 -9.889 1.00 0.00 N ATOM 577 CA MET A 746 -13.677 0.145 -9.333 1.00 0.00 C ATOM 578 C MET A 746 -14.395 0.491 -8.032 1.00 0.00 C ATOM 579 O MET A 746 -15.393 -0.136 -7.678 1.00 0.00 O ATOM 580 CB MET A 746 -12.659 -0.969 -9.085 1.00 0.00 C ATOM 581 CG MET A 746 -12.012 -1.497 -10.356 1.00 0.00 C ATOM 582 SD MET A 746 -12.952 -2.840 -11.107 1.00 0.00 S ATOM 583 CE MET A 746 -12.899 -4.063 -9.800 1.00 0.00 C ATOM 0 H MET A 746 -12.000 1.298 -9.835 1.00 0.00 H new ATOM 0 HA MET A 746 -14.415 -0.202 -10.056 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.881 -0.597 -8.419 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.153 -1.793 -8.569 1.00 0.00 H new ATOM 0 HG2 MET A 746 -11.912 -0.683 -11.074 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.005 -1.846 -10.128 1.00 0.00 H new ATOM 0 HE1 MET A 746 -12.950 -5.062 -10.234 1.00 0.00 H new ATOM 0 HE2 MET A 746 -11.969 -3.958 -9.241 1.00 0.00 H new ATOM 0 HE3 MET A 746 -13.745 -3.915 -9.129 1.00 0.00 H new ATOM 593 N ASP A 747 -13.884 1.495 -7.324 1.00 0.00 N ATOM 594 CA ASP A 747 -14.480 1.923 -6.065 1.00 0.00 C ATOM 595 C ASP A 747 -15.915 2.399 -6.279 1.00 0.00 C ATOM 596 O ASP A 747 -16.776 2.208 -5.421 1.00 0.00 O ATOM 597 CB ASP A 747 -13.646 3.040 -5.433 1.00 0.00 C ATOM 598 CG ASP A 747 -12.703 2.523 -4.366 1.00 0.00 C ATOM 599 OD1 ASP A 747 -12.357 1.322 -4.408 1.00 0.00 O ATOM 600 OD2 ASP A 747 -12.309 3.316 -3.486 1.00 0.00 O ATOM 0 H ASP A 747 -13.059 2.026 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.496 1.068 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -13.071 3.544 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -14.312 3.784 -4.996 1.00 0.00 H new ATOM 605 N ILE A 748 -16.160 3.021 -7.428 1.00 0.00 N ATOM 606 CA ILE A 748 -17.488 3.524 -7.755 1.00 0.00 C ATOM 607 C ILE A 748 -18.502 2.388 -7.822 1.00 0.00 C ATOM 608 O ILE A 748 -19.562 2.450 -7.197 1.00 0.00 O ATOM 609 CB ILE A 748 -17.488 4.281 -9.098 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.390 5.347 -9.109 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.849 4.912 -9.353 1.00 0.00 C ATOM 612 CD1 ILE A 748 -15.683 5.472 -10.442 1.00 0.00 C ATOM 0 H ILE A 748 -15.456 3.188 -8.147 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.771 4.214 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 748 -17.285 3.569 -9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.827 6.310 -8.847 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.656 5.110 -8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.831 5.442 -10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.611 4.133 -9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -19.081 5.613 -8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -14.918 6.246 -10.377 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -15.216 4.521 -10.697 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -16.405 5.740 -11.213 1.00 0.00 H new ATOM 624 N LEU A 749 -18.173 1.352 -8.584 1.00 0.00 N ATOM 625 CA LEU A 749 -19.056 0.200 -8.734 1.00 0.00 C ATOM 626 C LEU A 749 -19.284 -0.489 -7.393 1.00 0.00 C ATOM 627 O LEU A 749 -20.350 -1.055 -7.148 1.00 0.00 O ATOM 628 CB LEU A 749 -18.468 -0.794 -9.738 1.00 0.00 C ATOM 629 CG LEU A 749 -18.826 -0.525 -11.200 1.00 0.00 C ATOM 630 CD1 LEU A 749 -17.888 0.511 -11.799 1.00 0.00 C ATOM 631 CD2 LEU A 749 -18.779 -1.816 -12.004 1.00 0.00 C ATOM 0 H LEU A 749 -17.301 1.285 -9.108 1.00 0.00 H new ATOM 0 HA LEU A 749 -20.016 0.557 -9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.383 -0.788 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -18.807 -1.796 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 749 -19.841 -0.130 -11.239 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -18.159 0.689 -12.840 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -17.969 1.442 -11.239 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -16.862 0.146 -11.748 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -19.036 -1.607 -13.042 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -17.775 -2.238 -11.957 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -19.492 -2.529 -11.590 1.00 0.00 H new ATOM 643 N ASN A 750 -18.277 -0.436 -6.528 1.00 0.00 N ATOM 644 CA ASN A 750 -18.367 -1.056 -5.210 1.00 0.00 C ATOM 645 C ASN A 750 -19.518 -0.459 -4.406 1.00 0.00 C ATOM 646 O ASN A 750 -20.129 -1.139 -3.582 1.00 0.00 O ATOM 647 CB ASN A 750 -17.053 -0.879 -4.450 1.00 0.00 C ATOM 648 CG ASN A 750 -16.087 -2.023 -4.687 1.00 0.00 C ATOM 649 OD1 ASN A 750 -16.003 -2.559 -5.794 1.00 0.00 O ATOM 650 ND2 ASN A 750 -15.353 -2.405 -3.650 1.00 0.00 N ATOM 0 H ASN A 750 -17.389 0.030 -6.715 1.00 0.00 H new ATOM 0 HA ASN A 750 -18.558 -2.120 -5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.584 0.057 -4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.262 -0.799 -3.383 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -14.687 -3.171 -3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -15.455 -1.933 -2.752 1.00 0.00 H new ATOM 657 N GLU A 751 -19.809 0.814 -4.651 1.00 0.00 N ATOM 658 CA GLU A 751 -20.885 1.502 -3.949 1.00 0.00 C ATOM 659 C GLU A 751 -22.223 0.817 -4.203 1.00 0.00 C ATOM 660 O GLU A 751 -23.090 0.782 -3.328 1.00 0.00 O ATOM 661 CB GLU A 751 -20.957 2.965 -4.390 1.00 0.00 C ATOM 662 CG GLU A 751 -19.856 3.832 -3.802 1.00 0.00 C ATOM 663 CD GLU A 751 -20.335 4.668 -2.632 1.00 0.00 C ATOM 664 OE1 GLU A 751 -20.700 4.081 -1.591 1.00 0.00 O ATOM 665 OE2 GLU A 751 -20.346 5.912 -2.755 1.00 0.00 O ATOM 0 H GLU A 751 -19.314 1.390 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.672 1.462 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -20.903 3.011 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -21.925 3.376 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -19.033 3.196 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -19.463 4.490 -4.577 1.00 0.00 H new ATOM 672 N GLU A 752 -22.386 0.272 -5.404 1.00 0.00 N ATOM 673 CA GLU A 752 -23.620 -0.413 -5.773 1.00 0.00 C ATOM 674 C GLU A 752 -23.513 -1.007 -7.173 1.00 0.00 C ATOM 675 O GLU A 752 -23.949 -0.398 -8.151 1.00 0.00 O ATOM 676 CB GLU A 752 -24.806 0.552 -5.701 1.00 0.00 C ATOM 677 CG GLU A 752 -25.595 0.454 -4.405 1.00 0.00 C ATOM 678 CD GLU A 752 -26.994 -0.091 -4.613 1.00 0.00 C ATOM 679 OE1 GLU A 752 -27.739 0.484 -5.435 1.00 0.00 O ATOM 680 OE2 GLU A 752 -27.345 -1.092 -3.954 1.00 0.00 O ATOM 0 H GLU A 752 -21.679 0.291 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 752 -23.782 -1.226 -5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -24.441 1.572 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -25.475 0.355 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -25.059 -0.188 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -25.658 1.441 -3.947 1.00 0.00 H new ATOM 687 N ASN A 753 -22.933 -2.200 -7.262 1.00 0.00 N ATOM 688 CA ASN A 753 -22.770 -2.876 -8.544 1.00 0.00 C ATOM 689 C ASN A 753 -22.148 -4.256 -8.355 1.00 0.00 C ATOM 690 O ASN A 753 -22.904 -5.250 -8.357 1.00 0.00 O ATOM 691 CB ASN A 753 -21.901 -2.036 -9.481 1.00 0.00 C ATOM 692 CG ASN A 753 -22.361 -2.117 -10.924 1.00 0.00 C ATOM 693 OD1 ASN A 753 -22.078 -3.089 -11.624 1.00 0.00 O ATOM 694 ND2 ASN A 753 -23.075 -1.092 -11.376 1.00 0.00 N ATOM 695 OXT ASN A 753 -20.910 -4.330 -8.206 1.00 0.00 O ATOM 0 H ASN A 753 -22.568 -2.718 -6.462 1.00 0.00 H new ATOM 0 HA ASN A 753 -23.757 -2.999 -8.990 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -21.919 -0.996 -9.154 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -20.867 -2.373 -9.413 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -23.412 -1.090 -12.339 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -23.286 -0.307 -10.760 1.00 0.00 H new TER 702 ASN A 753