USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 340 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 711 SER OG : rot 180:sc= 0 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= 0.00394 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= -1.47 X(o=-1.5,f=-1.1!) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 732 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0073) 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= -0.0411 X(o=-0.041,f=-0.0057) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 746 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 750 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.4!) USER MOD Single : A 753 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 -20.278 2.311 5.922 1.00 0.00 N ATOM 2 CA SER A 711 -18.822 2.446 5.648 1.00 0.00 C ATOM 3 C SER A 711 -18.150 1.079 5.558 1.00 0.00 C ATOM 4 O SER A 711 -18.107 0.332 6.534 1.00 0.00 O ATOM 5 CB SER A 711 -18.192 3.271 6.772 1.00 0.00 C ATOM 6 OG SER A 711 -17.120 4.061 6.285 1.00 0.00 O ATOM 0 HA SER A 711 -18.681 2.945 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 711 -18.947 3.915 7.222 1.00 0.00 H new ATOM 0 HB3 SER A 711 -17.831 2.606 7.557 1.00 0.00 H new ATOM 0 HG SER A 711 -16.735 4.580 7.022 1.00 0.00 H new ATOM 14 N LYS A 712 -17.627 0.761 4.379 1.00 0.00 N ATOM 15 CA LYS A 712 -16.956 -0.515 4.158 1.00 0.00 C ATOM 16 C LYS A 712 -15.712 -0.333 3.295 1.00 0.00 C ATOM 17 O LYS A 712 -15.344 -1.223 2.526 1.00 0.00 O ATOM 18 CB LYS A 712 -17.911 -1.510 3.496 1.00 0.00 C ATOM 19 CG LYS A 712 -18.962 -2.068 4.442 1.00 0.00 C ATOM 20 CD LYS A 712 -19.955 -2.954 3.711 1.00 0.00 C ATOM 21 CE LYS A 712 -21.340 -2.871 4.332 1.00 0.00 C ATOM 22 NZ LYS A 712 -22.049 -4.178 4.285 1.00 0.00 N ATOM 0 H LYS A 712 -17.655 1.370 3.561 1.00 0.00 H new ATOM 0 HA LYS A 712 -16.649 -0.908 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -18.410 -1.020 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -17.332 -2.336 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -18.475 -2.640 5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -19.492 -1.246 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 712 -20.007 -2.657 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 712 -19.607 -3.987 3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -21.254 -2.542 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 712 -21.929 -2.119 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 -22.989 -4.079 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -22.154 -4.481 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -21.500 -4.890 4.808 1.00 0.00 H new ATOM 36 N LEU A 713 -15.068 0.821 3.427 1.00 0.00 N ATOM 37 CA LEU A 713 -13.866 1.119 2.658 1.00 0.00 C ATOM 38 C LEU A 713 -12.979 2.115 3.397 1.00 0.00 C ATOM 39 O LEU A 713 -13.450 2.861 4.256 1.00 0.00 O ATOM 40 CB LEU A 713 -14.238 1.671 1.281 1.00 0.00 C ATOM 41 CG LEU A 713 -14.493 0.615 0.205 1.00 0.00 C ATOM 42 CD1 LEU A 713 -15.089 1.254 -1.039 1.00 0.00 C ATOM 43 CD2 LEU A 713 -13.204 -0.117 -0.136 1.00 0.00 C ATOM 0 H LEU A 713 -15.359 1.566 4.060 1.00 0.00 H new ATOM 0 HA LEU A 713 -13.309 0.191 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 713 -15.132 2.286 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 713 -13.437 2.327 0.941 1.00 0.00 H new ATOM 0 HG LEU A 713 -15.208 -0.109 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 713 -15.264 0.487 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 713 -16.034 1.734 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 713 -14.398 1.999 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 713 -13.403 -0.865 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 713 -12.468 0.596 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 713 -12.817 -0.607 0.757 1.00 0.00 H new ATOM 55 N GLU A 714 -11.694 2.122 3.057 1.00 0.00 N ATOM 56 CA GLU A 714 -10.742 3.028 3.689 1.00 0.00 C ATOM 57 C GLU A 714 -10.715 4.375 2.973 1.00 0.00 C ATOM 58 O GLU A 714 -10.198 4.488 1.861 1.00 0.00 O ATOM 59 CB GLU A 714 -9.342 2.410 3.691 1.00 0.00 C ATOM 60 CG GLU A 714 -8.535 2.739 4.936 1.00 0.00 C ATOM 61 CD GLU A 714 -7.666 1.582 5.389 1.00 0.00 C ATOM 62 OE1 GLU A 714 -8.213 0.483 5.620 1.00 0.00 O ATOM 63 OE2 GLU A 714 -6.439 1.775 5.515 1.00 0.00 O ATOM 0 H GLU A 714 -11.288 1.511 2.348 1.00 0.00 H new ATOM 0 HA GLU A 714 -11.061 3.190 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 714 -9.431 1.327 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 714 -8.798 2.759 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 714 -7.905 3.606 4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 714 -9.214 3.016 5.742 1.00 0.00 H new ATOM 70 N GLY A 715 -11.273 5.393 3.618 1.00 0.00 N ATOM 71 CA GLY A 715 -11.302 6.718 3.028 1.00 0.00 C ATOM 72 C GLY A 715 -9.914 7.271 2.774 1.00 0.00 C ATOM 73 O GLY A 715 -9.685 7.956 1.777 1.00 0.00 O ATOM 0 H GLY A 715 -11.706 5.324 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -11.853 6.682 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -11.844 7.395 3.689 1.00 0.00 H new ATOM 77 N SER A 716 -8.986 6.973 3.677 1.00 0.00 N ATOM 78 CA SER A 716 -7.613 7.444 3.546 1.00 0.00 C ATOM 79 C SER A 716 -7.561 8.968 3.531 1.00 0.00 C ATOM 80 O SER A 716 -8.583 9.632 3.366 1.00 0.00 O ATOM 81 CB SER A 716 -6.979 6.887 2.270 1.00 0.00 C ATOM 82 OG SER A 716 -6.911 5.472 2.309 1.00 0.00 O ATOM 0 H SER A 716 -9.160 6.407 4.508 1.00 0.00 H new ATOM 0 HA SER A 716 -7.049 7.087 4.408 1.00 0.00 H new ATOM 0 HB2 SER A 716 -7.561 7.202 1.404 1.00 0.00 H new ATOM 0 HB3 SER A 716 -5.977 7.299 2.148 1.00 0.00 H new ATOM 0 HG SER A 716 -6.504 5.141 1.481 1.00 0.00 H new ATOM 88 N GLU A 717 -6.362 9.516 3.705 1.00 0.00 N ATOM 89 CA GLU A 717 -6.176 10.962 3.710 1.00 0.00 C ATOM 90 C GLU A 717 -6.065 11.502 2.288 1.00 0.00 C ATOM 91 O GLU A 717 -4.966 11.626 1.746 1.00 0.00 O ATOM 92 CB GLU A 717 -4.925 11.334 4.509 1.00 0.00 C ATOM 93 CG GLU A 717 -5.187 11.524 5.995 1.00 0.00 C ATOM 94 CD GLU A 717 -4.846 10.292 6.809 1.00 0.00 C ATOM 95 OE1 GLU A 717 -5.613 9.309 6.748 1.00 0.00 O ATOM 96 OE2 GLU A 717 -3.810 10.310 7.509 1.00 0.00 O ATOM 0 H GLU A 717 -5.505 8.980 3.844 1.00 0.00 H new ATOM 0 HA GLU A 717 -7.048 11.413 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 717 -4.175 10.554 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 717 -4.504 12.253 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 717 -4.601 12.369 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 717 -6.237 11.776 6.146 1.00 0.00 H new ATOM 103 N ASP A 718 -7.207 11.823 1.691 1.00 0.00 N ATOM 104 CA ASP A 718 -7.238 12.350 0.330 1.00 0.00 C ATOM 105 C ASP A 718 -7.877 13.735 0.298 1.00 0.00 C ATOM 106 O ASP A 718 -8.518 14.109 -0.682 1.00 0.00 O ATOM 107 CB ASP A 718 -8.006 11.399 -0.589 1.00 0.00 C ATOM 108 CG ASP A 718 -7.222 10.140 -0.905 1.00 0.00 C ATOM 109 OD1 ASP A 718 -7.185 9.234 -0.046 1.00 0.00 O ATOM 110 OD2 ASP A 718 -6.645 10.061 -2.009 1.00 0.00 O ATOM 0 H ASP A 718 -8.124 11.728 2.127 1.00 0.00 H new ATOM 0 HA ASP A 718 -6.211 12.436 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 718 -8.950 11.127 -0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 718 -8.250 11.914 -1.518 1.00 0.00 H new ATOM 115 N SER A 719 -7.695 14.490 1.377 1.00 0.00 N ATOM 116 CA SER A 719 -8.253 15.833 1.471 1.00 0.00 C ATOM 117 C SER A 719 -7.163 16.888 1.313 1.00 0.00 C ATOM 118 O SER A 719 -7.245 17.971 1.892 1.00 0.00 O ATOM 119 CB SER A 719 -8.968 16.018 2.811 1.00 0.00 C ATOM 120 OG SER A 719 -8.214 15.459 3.872 1.00 0.00 O ATOM 0 H SER A 719 -7.166 14.194 2.197 1.00 0.00 H new ATOM 0 HA SER A 719 -8.973 15.957 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 719 -9.131 17.080 2.996 1.00 0.00 H new ATOM 0 HB3 SER A 719 -9.950 15.547 2.771 1.00 0.00 H new ATOM 0 HG SER A 719 -8.691 15.592 4.718 1.00 0.00 H new ATOM 126 N LEU A 720 -6.143 16.565 0.525 1.00 0.00 N ATOM 127 CA LEU A 720 -5.036 17.485 0.290 1.00 0.00 C ATOM 128 C LEU A 720 -5.238 18.256 -1.011 1.00 0.00 C ATOM 129 O LEU A 720 -4.303 18.432 -1.792 1.00 0.00 O ATOM 130 CB LEU A 720 -3.712 16.720 0.246 1.00 0.00 C ATOM 131 CG LEU A 720 -2.517 17.461 0.850 1.00 0.00 C ATOM 132 CD1 LEU A 720 -2.356 18.829 0.204 1.00 0.00 C ATOM 133 CD2 LEU A 720 -2.680 17.598 2.356 1.00 0.00 C ATOM 0 H LEU A 720 -6.060 15.673 0.038 1.00 0.00 H new ATOM 0 HA LEU A 720 -5.006 18.199 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 720 -3.838 15.774 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 720 -3.484 16.478 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 720 -1.616 16.879 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 720 -1.502 19.342 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 720 -2.193 18.709 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 720 -3.258 19.418 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 720 -1.821 18.127 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 720 -3.590 18.157 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 720 -2.746 16.608 2.806 1.00 0.00 H new ATOM 145 N TYR A 721 -6.465 18.717 -1.236 1.00 0.00 N ATOM 146 CA TYR A 721 -6.796 19.473 -2.440 1.00 0.00 C ATOM 147 C TYR A 721 -6.306 18.756 -3.696 1.00 0.00 C ATOM 148 O TYR A 721 -6.018 19.390 -4.712 1.00 0.00 O ATOM 149 CB TYR A 721 -6.184 20.871 -2.363 1.00 0.00 C ATOM 150 CG TYR A 721 -7.039 21.943 -2.998 1.00 0.00 C ATOM 151 CD1 TYR A 721 -8.408 21.996 -2.768 1.00 0.00 C ATOM 152 CD2 TYR A 721 -6.478 22.905 -3.830 1.00 0.00 C ATOM 153 CE1 TYR A 721 -9.192 22.975 -3.347 1.00 0.00 C ATOM 154 CE2 TYR A 721 -7.256 23.886 -4.413 1.00 0.00 C ATOM 155 CZ TYR A 721 -8.612 23.918 -4.169 1.00 0.00 C ATOM 156 OH TYR A 721 -9.390 24.895 -4.747 1.00 0.00 O ATOM 0 H TYR A 721 -7.249 18.580 -0.598 1.00 0.00 H new ATOM 0 HA TYR A 721 -7.881 19.556 -2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 721 -6.014 21.126 -1.317 1.00 0.00 H new ATOM 0 HB3 TYR A 721 -5.209 20.859 -2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 721 -8.867 21.259 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 721 -5.416 22.885 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 721 -10.255 23.002 -3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 721 -6.804 24.625 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 721 -8.827 25.480 -5.296 1.00 0.00 H new ATOM 166 N SER A 722 -6.215 17.431 -3.622 1.00 0.00 N ATOM 167 CA SER A 722 -5.762 16.631 -4.753 1.00 0.00 C ATOM 168 C SER A 722 -6.656 16.848 -5.972 1.00 0.00 C ATOM 169 O SER A 722 -6.226 16.654 -7.108 1.00 0.00 O ATOM 170 CB SER A 722 -5.744 15.147 -4.379 1.00 0.00 C ATOM 171 OG SER A 722 -4.501 14.781 -3.803 1.00 0.00 O ATOM 0 H SER A 722 -6.449 16.890 -2.790 1.00 0.00 H new ATOM 0 HA SER A 722 -4.751 16.950 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 722 -6.550 14.936 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 722 -5.929 14.543 -5.267 1.00 0.00 H new ATOM 0 HG SER A 722 -4.516 13.829 -3.571 1.00 0.00 H new ATOM 177 N ASP A 723 -7.900 17.252 -5.731 1.00 0.00 N ATOM 178 CA ASP A 723 -8.845 17.495 -6.814 1.00 0.00 C ATOM 179 C ASP A 723 -8.360 18.632 -7.709 1.00 0.00 C ATOM 180 O ASP A 723 -8.204 18.461 -8.917 1.00 0.00 O ATOM 181 CB ASP A 723 -10.227 17.827 -6.249 1.00 0.00 C ATOM 182 CG ASP A 723 -10.876 16.637 -5.571 1.00 0.00 C ATOM 183 OD1 ASP A 723 -10.151 15.854 -4.923 1.00 0.00 O ATOM 184 OD2 ASP A 723 -12.111 16.488 -5.690 1.00 0.00 O ATOM 0 H ASP A 723 -8.276 17.417 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 723 -8.916 16.588 -7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 723 -10.137 18.645 -5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 723 -10.871 18.178 -7.055 1.00 0.00 H new ATOM 189 N TYR A 724 -8.122 19.790 -7.102 1.00 0.00 N ATOM 190 CA TYR A 724 -7.652 20.957 -7.837 1.00 0.00 C ATOM 191 C TYR A 724 -6.227 20.739 -8.343 1.00 0.00 C ATOM 192 O TYR A 724 -5.841 21.262 -9.387 1.00 0.00 O ATOM 193 CB TYR A 724 -7.717 22.201 -6.939 1.00 0.00 C ATOM 194 CG TYR A 724 -6.714 23.275 -7.297 1.00 0.00 C ATOM 195 CD1 TYR A 724 -5.402 23.199 -6.847 1.00 0.00 C ATOM 196 CD2 TYR A 724 -7.076 24.356 -8.087 1.00 0.00 C ATOM 197 CE1 TYR A 724 -4.479 24.171 -7.174 1.00 0.00 C ATOM 198 CE2 TYR A 724 -6.158 25.334 -8.420 1.00 0.00 C ATOM 199 CZ TYR A 724 -4.861 25.237 -7.961 1.00 0.00 C ATOM 200 OH TYR A 724 -3.945 26.209 -8.290 1.00 0.00 O ATOM 0 H TYR A 724 -8.247 19.945 -6.102 1.00 0.00 H new ATOM 0 HA TYR A 724 -8.299 21.109 -8.701 1.00 0.00 H new ATOM 0 HB2 TYR A 724 -8.720 22.623 -6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 724 -7.555 21.898 -5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 724 -5.099 22.365 -6.231 1.00 0.00 H new ATOM 0 HD2 TYR A 724 -8.091 24.435 -8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 724 -3.463 24.097 -6.816 1.00 0.00 H new ATOM 0 HE2 TYR A 724 -6.455 26.170 -9.036 1.00 0.00 H new ATOM 0 HH TYR A 724 -4.376 26.888 -8.850 1.00 0.00 H new ATOM 210 N VAL A 725 -5.450 19.968 -7.592 1.00 0.00 N ATOM 211 CA VAL A 725 -4.069 19.684 -7.957 1.00 0.00 C ATOM 212 C VAL A 725 -3.994 18.628 -9.059 1.00 0.00 C ATOM 213 O VAL A 725 -3.089 18.651 -9.892 1.00 0.00 O ATOM 214 CB VAL A 725 -3.264 19.207 -6.730 1.00 0.00 C ATOM 215 CG1 VAL A 725 -1.874 18.731 -7.133 1.00 0.00 C ATOM 216 CG2 VAL A 725 -3.174 20.319 -5.694 1.00 0.00 C ATOM 0 H VAL A 725 -5.755 19.527 -6.724 1.00 0.00 H new ATOM 0 HA VAL A 725 -3.634 20.611 -8.331 1.00 0.00 H new ATOM 0 HB VAL A 725 -3.788 18.360 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 725 -1.331 18.401 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 725 -1.963 17.901 -7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 725 -1.332 19.550 -7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 725 -2.604 19.969 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 725 -2.677 21.185 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 725 -4.177 20.600 -5.374 1.00 0.00 H new ATOM 226 N ASP A 726 -4.948 17.704 -9.054 1.00 0.00 N ATOM 227 CA ASP A 726 -4.986 16.641 -10.050 1.00 0.00 C ATOM 228 C ASP A 726 -5.493 17.160 -11.393 1.00 0.00 C ATOM 229 O ASP A 726 -5.163 16.613 -12.445 1.00 0.00 O ATOM 230 CB ASP A 726 -5.877 15.493 -9.568 1.00 0.00 C ATOM 231 CG ASP A 726 -5.881 14.321 -10.528 1.00 0.00 C ATOM 232 OD1 ASP A 726 -4.826 13.667 -10.673 1.00 0.00 O ATOM 233 OD2 ASP A 726 -6.939 14.055 -11.136 1.00 0.00 O ATOM 0 H ASP A 726 -5.705 17.670 -8.371 1.00 0.00 H new ATOM 0 HA ASP A 726 -3.968 16.275 -10.186 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -5.533 15.156 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -6.896 15.857 -9.440 1.00 0.00 H new ATOM 238 N VAL A 727 -6.300 18.216 -11.351 1.00 0.00 N ATOM 239 CA VAL A 727 -6.852 18.802 -12.566 1.00 0.00 C ATOM 240 C VAL A 727 -5.865 19.769 -13.216 1.00 0.00 C ATOM 241 O VAL A 727 -5.919 20.006 -14.423 1.00 0.00 O ATOM 242 CB VAL A 727 -8.172 19.547 -12.283 1.00 0.00 C ATOM 243 CG1 VAL A 727 -8.817 20.012 -13.581 1.00 0.00 C ATOM 244 CG2 VAL A 727 -9.125 18.664 -11.490 1.00 0.00 C ATOM 0 H VAL A 727 -6.585 18.682 -10.490 1.00 0.00 H new ATOM 0 HA VAL A 727 -7.047 17.976 -13.250 1.00 0.00 H new ATOM 0 HB VAL A 727 -7.947 20.429 -11.683 1.00 0.00 H new ATOM 0 HG11 VAL A 727 -9.747 20.535 -13.358 1.00 0.00 H new ATOM 0 HG12 VAL A 727 -8.138 20.686 -14.104 1.00 0.00 H new ATOM 0 HG13 VAL A 727 -9.029 19.149 -14.212 1.00 0.00 H new ATOM 0 HG21 VAL A 727 -10.051 19.207 -11.300 1.00 0.00 H new ATOM 0 HG22 VAL A 727 -9.344 17.761 -12.060 1.00 0.00 H new ATOM 0 HG23 VAL A 727 -8.663 18.391 -10.541 1.00 0.00 H new ATOM 254 N PHE A 728 -4.968 20.326 -12.411 1.00 0.00 N ATOM 255 CA PHE A 728 -3.976 21.271 -12.913 1.00 0.00 C ATOM 256 C PHE A 728 -2.617 20.600 -13.084 1.00 0.00 C ATOM 257 O PHE A 728 -1.841 20.967 -13.966 1.00 0.00 O ATOM 258 CB PHE A 728 -3.854 22.465 -11.963 1.00 0.00 C ATOM 259 CG PHE A 728 -5.070 23.349 -11.948 1.00 0.00 C ATOM 260 CD1 PHE A 728 -6.321 22.826 -11.660 1.00 0.00 C ATOM 261 CD2 PHE A 728 -4.961 24.703 -12.221 1.00 0.00 C ATOM 262 CE1 PHE A 728 -7.439 23.636 -11.646 1.00 0.00 C ATOM 263 CE2 PHE A 728 -6.078 25.519 -12.209 1.00 0.00 C ATOM 264 CZ PHE A 728 -7.318 24.985 -11.921 1.00 0.00 C ATOM 0 H PHE A 728 -4.907 20.141 -11.410 1.00 0.00 H new ATOM 0 HA PHE A 728 -4.309 21.623 -13.889 1.00 0.00 H new ATOM 0 HB2 PHE A 728 -3.670 22.098 -10.953 1.00 0.00 H new ATOM 0 HB3 PHE A 728 -2.986 23.059 -12.250 1.00 0.00 H new ATOM 0 HD1 PHE A 728 -6.422 21.773 -11.444 1.00 0.00 H new ATOM 0 HD2 PHE A 728 -3.993 25.126 -12.446 1.00 0.00 H new ATOM 0 HE1 PHE A 728 -8.408 23.216 -11.420 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -5.980 26.573 -12.425 1.00 0.00 H new ATOM 0 HZ PHE A 728 -8.192 25.620 -11.911 1.00 0.00 H new ATOM 274 N TYR A 729 -2.336 19.617 -12.237 1.00 0.00 N ATOM 275 CA TYR A 729 -1.069 18.896 -12.298 1.00 0.00 C ATOM 276 C TYR A 729 -1.227 17.578 -13.051 1.00 0.00 C ATOM 277 O TYR A 729 -0.538 16.601 -12.762 1.00 0.00 O ATOM 278 CB TYR A 729 -0.539 18.630 -10.888 1.00 0.00 C ATOM 279 CG TYR A 729 0.934 18.292 -10.846 1.00 0.00 C ATOM 280 CD1 TYR A 729 1.857 19.033 -11.575 1.00 0.00 C ATOM 281 CD2 TYR A 729 1.402 17.234 -10.080 1.00 0.00 C ATOM 282 CE1 TYR A 729 3.204 18.727 -11.541 1.00 0.00 C ATOM 283 CE2 TYR A 729 2.749 16.921 -10.040 1.00 0.00 C ATOM 284 CZ TYR A 729 3.644 17.672 -10.772 1.00 0.00 C ATOM 285 OH TYR A 729 4.985 17.364 -10.735 1.00 0.00 O ATOM 0 H TYR A 729 -2.967 19.301 -11.501 1.00 0.00 H new ATOM 0 HA TYR A 729 -0.353 19.518 -12.836 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -0.719 19.510 -10.270 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -1.104 17.809 -10.446 1.00 0.00 H new ATOM 0 HD1 TYR A 729 1.516 19.862 -12.178 1.00 0.00 H new ATOM 0 HD2 TYR A 729 0.703 16.645 -9.505 1.00 0.00 H new ATOM 0 HE1 TYR A 729 3.908 19.312 -12.114 1.00 0.00 H new ATOM 0 HE2 TYR A 729 3.097 16.094 -9.439 1.00 0.00 H new ATOM 0 HH TYR A 729 5.128 16.595 -10.145 1.00 0.00 H new ATOM 295 N ASN A 730 -2.139 17.561 -14.018 1.00 0.00 N ATOM 296 CA ASN A 730 -2.389 16.366 -14.811 1.00 0.00 C ATOM 297 C ASN A 730 -1.211 16.069 -15.737 1.00 0.00 C ATOM 298 O ASN A 730 -1.333 16.151 -16.960 1.00 0.00 O ATOM 299 CB ASN A 730 -3.671 16.531 -15.630 1.00 0.00 C ATOM 300 CG ASN A 730 -3.631 17.756 -16.523 1.00 0.00 C ATOM 301 OD1 ASN A 730 -3.161 17.697 -17.659 1.00 0.00 O ATOM 302 ND2 ASN A 730 -4.129 18.877 -16.011 1.00 0.00 N ATOM 0 H ASN A 730 -2.717 18.363 -14.270 1.00 0.00 H new ATOM 0 HA ASN A 730 -2.509 15.525 -14.128 1.00 0.00 H new ATOM 0 HB2 ASN A 730 -3.825 15.643 -16.243 1.00 0.00 H new ATOM 0 HB3 ASN A 730 -4.524 16.604 -14.955 1.00 0.00 H new ATOM 0 HD21 ASN A 730 -4.131 19.734 -16.565 1.00 0.00 H new ATOM 0 HD22 ASN A 730 -4.509 18.881 -15.064 1.00 0.00 H new ATOM 309 N THR A 731 -0.073 15.724 -15.146 1.00 0.00 N ATOM 310 CA THR A 731 1.126 15.416 -15.916 1.00 0.00 C ATOM 311 C THR A 731 2.208 14.821 -15.021 1.00 0.00 C ATOM 312 O THR A 731 2.705 15.480 -14.109 1.00 0.00 O ATOM 313 CB THR A 731 1.655 16.676 -16.606 1.00 0.00 C ATOM 314 OG1 THR A 731 1.334 17.832 -15.850 1.00 0.00 O ATOM 315 CG2 THR A 731 1.101 16.870 -18.001 1.00 0.00 C ATOM 0 H THR A 731 0.045 15.651 -14.135 1.00 0.00 H new ATOM 0 HA THR A 731 0.860 14.680 -16.675 1.00 0.00 H new ATOM 0 HB THR A 731 2.734 16.538 -16.677 1.00 0.00 H new ATOM 0 HG1 THR A 731 1.681 18.627 -16.305 1.00 0.00 H new ATOM 0 HG21 THR A 731 1.516 17.780 -18.434 1.00 0.00 H new ATOM 0 HG22 THR A 731 1.373 16.017 -18.622 1.00 0.00 H new ATOM 0 HG23 THR A 731 0.015 16.953 -17.953 1.00 0.00 H new ATOM 323 N LYS A 732 2.569 13.569 -15.290 1.00 0.00 N ATOM 324 CA LYS A 732 3.592 12.885 -14.508 1.00 0.00 C ATOM 325 C LYS A 732 4.211 11.740 -15.307 1.00 0.00 C ATOM 326 O LYS A 732 3.744 10.604 -15.242 1.00 0.00 O ATOM 327 CB LYS A 732 2.994 12.348 -13.206 1.00 0.00 C ATOM 328 CG LYS A 732 2.442 13.434 -12.298 1.00 0.00 C ATOM 329 CD LYS A 732 2.011 12.867 -10.954 1.00 0.00 C ATOM 330 CE LYS A 732 0.518 12.584 -10.922 1.00 0.00 C ATOM 331 NZ LYS A 732 0.199 11.367 -10.126 1.00 0.00 N ATOM 0 H LYS A 732 2.168 13.009 -16.043 1.00 0.00 H new ATOM 0 HA LYS A 732 4.375 13.605 -14.270 1.00 0.00 H new ATOM 0 HB2 LYS A 732 2.196 11.645 -13.445 1.00 0.00 H new ATOM 0 HB3 LYS A 732 3.760 11.790 -12.667 1.00 0.00 H new ATOM 0 HG2 LYS A 732 3.200 14.202 -12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 732 1.592 13.917 -12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 732 2.561 11.948 -10.752 1.00 0.00 H new ATOM 0 HD3 LYS A 732 2.266 13.571 -10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 732 -0.005 13.442 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 732 0.151 12.458 -11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 -0.833 11.257 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 0.607 10.531 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 0.600 11.462 -9.171 1.00 0.00 H new ATOM 345 N PRO A 733 5.280 12.025 -16.074 1.00 0.00 N ATOM 346 CA PRO A 733 5.961 11.011 -16.885 1.00 0.00 C ATOM 347 C PRO A 733 6.686 9.978 -16.029 1.00 0.00 C ATOM 348 O PRO A 733 7.177 10.291 -14.945 1.00 0.00 O ATOM 349 CB PRO A 733 6.965 11.823 -17.707 1.00 0.00 C ATOM 350 CG PRO A 733 7.201 13.058 -16.907 1.00 0.00 C ATOM 351 CD PRO A 733 5.903 13.355 -16.210 1.00 0.00 C ATOM 0 HA PRO A 733 5.260 10.438 -17.492 1.00 0.00 H new ATOM 0 HB2 PRO A 733 7.891 11.268 -17.861 1.00 0.00 H new ATOM 0 HB3 PRO A 733 6.568 12.061 -18.694 1.00 0.00 H new ATOM 0 HG2 PRO A 733 8.005 12.908 -16.187 1.00 0.00 H new ATOM 0 HG3 PRO A 733 7.498 13.888 -17.549 1.00 0.00 H new ATOM 0 HD2 PRO A 733 6.065 13.824 -15.240 1.00 0.00 H new ATOM 0 HD3 PRO A 733 5.280 14.034 -16.792 1.00 0.00 H new ATOM 359 N TYR A 734 6.748 8.747 -16.524 1.00 0.00 N ATOM 360 CA TYR A 734 7.413 7.666 -15.803 1.00 0.00 C ATOM 361 C TYR A 734 6.753 7.433 -14.447 1.00 0.00 C ATOM 362 O TYR A 734 7.342 7.709 -13.401 1.00 0.00 O ATOM 363 CB TYR A 734 8.897 7.987 -15.616 1.00 0.00 C ATOM 364 CG TYR A 734 9.780 6.762 -15.564 1.00 0.00 C ATOM 365 CD1 TYR A 734 9.843 5.882 -16.639 1.00 0.00 C ATOM 366 CD2 TYR A 734 10.550 6.484 -14.443 1.00 0.00 C ATOM 367 CE1 TYR A 734 10.649 4.760 -16.595 1.00 0.00 C ATOM 368 CE2 TYR A 734 11.358 5.363 -14.393 1.00 0.00 C ATOM 369 CZ TYR A 734 11.404 4.506 -15.470 1.00 0.00 C ATOM 370 OH TYR A 734 12.209 3.389 -15.423 1.00 0.00 O ATOM 0 H TYR A 734 6.347 8.472 -17.421 1.00 0.00 H new ATOM 0 HA TYR A 734 7.319 6.755 -16.394 1.00 0.00 H new ATOM 0 HB2 TYR A 734 9.227 8.628 -16.434 1.00 0.00 H new ATOM 0 HB3 TYR A 734 9.024 8.555 -14.694 1.00 0.00 H new ATOM 0 HD1 TYR A 734 9.253 6.078 -17.522 1.00 0.00 H new ATOM 0 HD2 TYR A 734 10.517 7.154 -13.596 1.00 0.00 H new ATOM 0 HE1 TYR A 734 10.687 4.086 -17.438 1.00 0.00 H new ATOM 0 HE2 TYR A 734 11.950 5.160 -13.513 1.00 0.00 H new ATOM 0 HH TYR A 734 12.675 3.358 -14.561 1.00 0.00 H new ATOM 380 N LYS A 735 5.526 6.923 -14.472 1.00 0.00 N ATOM 381 CA LYS A 735 4.785 6.652 -13.245 1.00 0.00 C ATOM 382 C LYS A 735 3.610 5.718 -13.516 1.00 0.00 C ATOM 383 O LYS A 735 3.363 4.781 -12.755 1.00 0.00 O ATOM 384 CB LYS A 735 4.281 7.960 -12.631 1.00 0.00 C ATOM 385 CG LYS A 735 5.248 8.574 -11.632 1.00 0.00 C ATOM 386 CD LYS A 735 4.556 9.593 -10.741 1.00 0.00 C ATOM 387 CE LYS A 735 3.625 8.921 -9.745 1.00 0.00 C ATOM 388 NZ LYS A 735 4.267 8.750 -8.412 1.00 0.00 N ATOM 0 H LYS A 735 5.024 6.689 -15.328 1.00 0.00 H new ATOM 0 HA LYS A 735 5.459 6.164 -12.541 1.00 0.00 H new ATOM 0 HB2 LYS A 735 4.092 8.678 -13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 735 3.328 7.776 -12.136 1.00 0.00 H new ATOM 0 HG2 LYS A 735 5.685 7.788 -11.016 1.00 0.00 H new ATOM 0 HG3 LYS A 735 6.069 9.054 -12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 735 5.304 10.177 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.989 10.291 -11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 735 2.718 9.516 -9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 735 3.323 7.947 -10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 3.599 8.288 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 5.119 8.161 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 4.532 9.681 -8.032 1.00 0.00 H new ATOM 402 N HIS A 736 2.888 5.980 -14.602 1.00 0.00 N ATOM 403 CA HIS A 736 1.736 5.164 -14.975 1.00 0.00 C ATOM 404 C HIS A 736 0.619 5.295 -13.943 1.00 0.00 C ATOM 405 O HIS A 736 -0.374 5.983 -14.175 1.00 0.00 O ATOM 406 CB HIS A 736 2.147 3.695 -15.123 1.00 0.00 C ATOM 407 CG HIS A 736 2.365 3.278 -16.544 1.00 0.00 C ATOM 408 ND1 HIS A 736 3.548 2.732 -16.995 1.00 0.00 N ATOM 409 CD2 HIS A 736 1.542 3.325 -17.619 1.00 0.00 C ATOM 410 CE1 HIS A 736 3.444 2.465 -18.285 1.00 0.00 C ATOM 411 NE2 HIS A 736 2.237 2.814 -18.687 1.00 0.00 N ATOM 0 H HIS A 736 3.081 6.752 -15.240 1.00 0.00 H new ATOM 0 HA HIS A 736 1.363 5.524 -15.934 1.00 0.00 H new ATOM 0 HB2 HIS A 736 3.063 3.523 -14.557 1.00 0.00 H new ATOM 0 HB3 HIS A 736 1.376 3.064 -14.681 1.00 0.00 H new ATOM 0 HD2 HIS A 736 0.528 3.696 -17.633 1.00 0.00 H new ATOM 0 HE1 HIS A 736 4.216 2.034 -18.905 1.00 0.00 H new ATOM 0 HE2 HIS A 736 1.878 2.720 -19.637 1.00 0.00 H new ATOM 420 N ARG A 737 0.788 4.630 -12.805 1.00 0.00 N ATOM 421 CA ARG A 737 -0.206 4.673 -11.739 1.00 0.00 C ATOM 422 C ARG A 737 -1.539 4.106 -12.216 1.00 0.00 C ATOM 423 O ARG A 737 -2.603 4.637 -11.895 1.00 0.00 O ATOM 424 CB ARG A 737 -0.394 6.110 -11.247 1.00 0.00 C ATOM 425 CG ARG A 737 -1.119 6.207 -9.915 1.00 0.00 C ATOM 426 CD ARG A 737 -1.506 7.642 -9.596 1.00 0.00 C ATOM 427 NE ARG A 737 -2.697 7.711 -8.750 1.00 0.00 N ATOM 428 CZ ARG A 737 -3.442 8.804 -8.610 1.00 0.00 C ATOM 429 NH1 ARG A 737 -3.126 9.920 -9.255 1.00 0.00 N ATOM 430 NH2 ARG A 737 -4.509 8.782 -7.823 1.00 0.00 N ATOM 0 H ARG A 737 1.604 4.055 -12.597 1.00 0.00 H new ATOM 0 HA ARG A 737 0.154 4.059 -10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 737 0.583 6.584 -11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -0.952 6.672 -11.996 1.00 0.00 H new ATOM 0 HG2 ARG A 737 -2.013 5.585 -9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 737 -0.481 5.816 -9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 737 -0.675 8.139 -9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 737 -1.688 8.184 -10.524 1.00 0.00 H new ATOM 0 HE ARG A 737 -2.972 6.873 -8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 737 -2.307 9.943 -9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 737 -3.702 10.754 -9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 737 -4.758 7.927 -7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 737 -5.081 9.620 -7.715 1.00 0.00 H new ATOM 444 N ASP A 738 -1.474 3.023 -12.985 1.00 0.00 N ATOM 445 CA ASP A 738 -2.677 2.384 -13.506 1.00 0.00 C ATOM 446 C ASP A 738 -3.355 1.540 -12.433 1.00 0.00 C ATOM 447 O ASP A 738 -4.583 1.472 -12.366 1.00 0.00 O ATOM 448 CB ASP A 738 -2.331 1.511 -14.714 1.00 0.00 C ATOM 449 CG ASP A 738 -2.319 2.296 -16.011 1.00 0.00 C ATOM 450 OD1 ASP A 738 -1.322 3.004 -16.267 1.00 0.00 O ATOM 451 OD2 ASP A 738 -3.306 2.204 -16.771 1.00 0.00 O ATOM 0 H ASP A 738 -0.602 2.571 -13.261 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.369 3.167 -13.816 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -1.353 1.054 -14.560 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -3.054 0.699 -14.791 1.00 0.00 H new ATOM 456 N ASP A 739 -2.548 0.899 -11.594 1.00 0.00 N ATOM 457 CA ASP A 739 -3.071 0.059 -10.523 1.00 0.00 C ATOM 458 C ASP A 739 -3.945 0.871 -9.571 1.00 0.00 C ATOM 459 O ASP A 739 -5.070 0.480 -9.260 1.00 0.00 O ATOM 460 CB ASP A 739 -1.923 -0.591 -9.748 1.00 0.00 C ATOM 461 CG ASP A 739 -0.848 0.406 -9.361 1.00 0.00 C ATOM 462 OD1 ASP A 739 -0.198 0.962 -10.273 1.00 0.00 O ATOM 463 OD2 ASP A 739 -0.655 0.630 -8.148 1.00 0.00 O ATOM 0 H ASP A 739 -1.530 0.945 -11.635 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.683 -0.721 -10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -2.317 -1.063 -8.848 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -1.480 -1.381 -10.355 1.00 0.00 H new ATOM 468 N ARG A 740 -3.420 2.002 -9.113 1.00 0.00 N ATOM 469 CA ARG A 740 -4.155 2.868 -8.198 1.00 0.00 C ATOM 470 C ARG A 740 -5.446 3.366 -8.840 1.00 0.00 C ATOM 471 O ARG A 740 -6.442 3.594 -8.155 1.00 0.00 O ATOM 472 CB ARG A 740 -3.287 4.057 -7.780 1.00 0.00 C ATOM 473 CG ARG A 740 -2.480 3.806 -6.517 1.00 0.00 C ATOM 474 CD ARG A 740 -1.408 4.866 -6.320 1.00 0.00 C ATOM 475 NE ARG A 740 -1.873 5.963 -5.474 1.00 0.00 N ATOM 476 CZ ARG A 740 -1.083 6.930 -5.014 1.00 0.00 C ATOM 477 NH1 ARG A 740 0.210 6.940 -5.316 1.00 0.00 N ATOM 478 NH2 ARG A 740 -1.585 7.889 -4.251 1.00 0.00 N ATOM 0 H ARG A 740 -2.490 2.340 -9.360 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.412 2.286 -7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.605 4.303 -8.594 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.926 4.927 -7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -3.146 3.796 -5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -2.014 2.822 -6.571 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -0.526 4.410 -5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -1.104 5.260 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 740 -2.861 5.989 -5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 740 0.602 6.204 -5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 740 0.811 7.684 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -2.577 7.887 -4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -0.979 8.630 -3.899 1.00 0.00 H new ATOM 492 N LEU A 741 -5.421 3.527 -10.159 1.00 0.00 N ATOM 493 CA LEU A 741 -6.594 3.994 -10.890 1.00 0.00 C ATOM 494 C LEU A 741 -7.737 2.994 -10.764 1.00 0.00 C ATOM 495 O LEU A 741 -8.894 3.376 -10.601 1.00 0.00 O ATOM 496 CB LEU A 741 -6.247 4.220 -12.364 1.00 0.00 C ATOM 497 CG LEU A 741 -6.665 5.578 -12.927 1.00 0.00 C ATOM 498 CD1 LEU A 741 -8.162 5.788 -12.758 1.00 0.00 C ATOM 499 CD2 LEU A 741 -5.889 6.697 -12.248 1.00 0.00 C ATOM 0 H LEU A 741 -4.605 3.342 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.915 4.941 -10.457 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.170 4.108 -12.489 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -6.720 3.437 -12.957 1.00 0.00 H new ATOM 0 HG LEU A 741 -6.434 5.595 -13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -8.441 6.760 -13.165 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -8.702 5.004 -13.289 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -8.417 5.751 -11.699 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.199 7.657 -12.661 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -6.090 6.681 -11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.822 6.556 -12.420 1.00 0.00 H new ATOM 511 N LEU A 742 -7.403 1.709 -10.837 1.00 0.00 N ATOM 512 CA LEU A 742 -8.402 0.653 -10.724 1.00 0.00 C ATOM 513 C LEU A 742 -9.144 0.757 -9.398 1.00 0.00 C ATOM 514 O LEU A 742 -10.343 0.482 -9.322 1.00 0.00 O ATOM 515 CB LEU A 742 -7.742 -0.721 -10.849 1.00 0.00 C ATOM 516 CG LEU A 742 -7.513 -1.203 -12.282 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.162 -0.733 -12.795 1.00 0.00 C ATOM 518 CD2 LEU A 742 -7.618 -2.719 -12.357 1.00 0.00 C ATOM 0 H LEU A 742 -6.449 1.375 -10.974 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.120 0.774 -11.535 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.782 -0.694 -10.334 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.361 -1.453 -10.331 1.00 0.00 H new ATOM 0 HG LEU A 742 -8.287 -0.773 -12.918 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -6.018 -1.086 -13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -6.126 0.356 -12.779 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -5.372 -1.132 -12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -7.452 -3.045 -13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -6.866 -3.168 -11.708 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -8.611 -3.031 -12.033 1.00 0.00 H new ATOM 530 N GLN A 743 -8.428 1.161 -8.355 1.00 0.00 N ATOM 531 CA GLN A 743 -9.021 1.308 -7.033 1.00 0.00 C ATOM 532 C GLN A 743 -10.138 2.346 -7.059 1.00 0.00 C ATOM 533 O GLN A 743 -11.225 2.115 -6.530 1.00 0.00 O ATOM 534 CB GLN A 743 -7.956 1.711 -6.012 1.00 0.00 C ATOM 535 CG GLN A 743 -7.307 0.528 -5.312 1.00 0.00 C ATOM 536 CD GLN A 743 -6.265 -0.159 -6.172 1.00 0.00 C ATOM 537 OE1 GLN A 743 -5.071 0.114 -6.057 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.714 -1.057 -7.040 1.00 0.00 N ATOM 0 H GLN A 743 -7.436 1.392 -8.400 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.444 0.347 -6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.184 2.293 -6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.409 2.361 -5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.842 0.869 -4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -8.077 -0.193 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.713 -1.252 -7.101 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -6.060 -1.552 -7.646 1.00 0.00 H new ATOM 547 N ALA A 744 -9.863 3.489 -7.679 1.00 0.00 N ATOM 548 CA ALA A 744 -10.844 4.560 -7.776 1.00 0.00 C ATOM 549 C ALA A 744 -11.978 4.179 -8.719 1.00 0.00 C ATOM 550 O ALA A 744 -13.154 4.334 -8.387 1.00 0.00 O ATOM 551 CB ALA A 744 -10.178 5.847 -8.239 1.00 0.00 C ATOM 0 H ALA A 744 -8.968 3.696 -8.122 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.269 4.722 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -10.924 6.639 -8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.407 6.135 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.725 5.690 -9.218 1.00 0.00 H new ATOM 557 N LEU A 745 -11.621 3.677 -9.897 1.00 0.00 N ATOM 558 CA LEU A 745 -12.612 3.270 -10.887 1.00 0.00 C ATOM 559 C LEU A 745 -13.509 2.173 -10.326 1.00 0.00 C ATOM 560 O LEU A 745 -14.732 2.229 -10.454 1.00 0.00 O ATOM 561 CB LEU A 745 -11.923 2.783 -12.164 1.00 0.00 C ATOM 562 CG LEU A 745 -10.866 3.730 -12.739 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.749 2.943 -13.412 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.501 4.703 -13.720 1.00 0.00 C ATOM 0 H LEU A 745 -10.653 3.542 -10.189 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.229 4.135 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.453 1.821 -11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.684 2.610 -12.925 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.434 4.302 -11.918 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.008 3.634 -13.814 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.275 2.287 -12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.164 2.344 -14.223 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -10.736 5.369 -14.119 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -11.961 4.147 -14.537 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.262 5.291 -13.208 1.00 0.00 H new ATOM 576 N MET A 746 -12.891 1.174 -9.705 1.00 0.00 N ATOM 577 CA MET A 746 -13.634 0.062 -9.122 1.00 0.00 C ATOM 578 C MET A 746 -14.453 0.526 -7.920 1.00 0.00 C ATOM 579 O MET A 746 -15.499 -0.046 -7.614 1.00 0.00 O ATOM 580 CB MET A 746 -12.678 -1.055 -8.702 1.00 0.00 C ATOM 581 CG MET A 746 -12.072 -1.809 -9.873 1.00 0.00 C ATOM 582 SD MET A 746 -11.094 -3.232 -9.352 1.00 0.00 S ATOM 583 CE MET A 746 -12.379 -4.455 -9.106 1.00 0.00 C ATOM 0 H MET A 746 -11.879 1.111 -9.592 1.00 0.00 H new ATOM 0 HA MET A 746 -14.318 -0.322 -9.879 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.875 -0.628 -8.101 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.213 -1.759 -8.065 1.00 0.00 H new ATOM 0 HG2 MET A 746 -12.870 -2.144 -10.536 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.442 -1.132 -10.449 1.00 0.00 H new ATOM 0 HE1 MET A 746 -11.930 -5.394 -8.781 1.00 0.00 H new ATOM 0 HE2 MET A 746 -13.075 -4.103 -8.345 1.00 0.00 H new ATOM 0 HE3 MET A 746 -12.914 -4.614 -10.042 1.00 0.00 H new ATOM 593 N ASP A 747 -13.970 1.564 -7.242 1.00 0.00 N ATOM 594 CA ASP A 747 -14.660 2.100 -6.075 1.00 0.00 C ATOM 595 C ASP A 747 -16.064 2.572 -6.440 1.00 0.00 C ATOM 596 O ASP A 747 -16.993 2.464 -5.640 1.00 0.00 O ATOM 597 CB ASP A 747 -13.862 3.258 -5.471 1.00 0.00 C ATOM 598 CG ASP A 747 -14.494 3.797 -4.203 1.00 0.00 C ATOM 599 OD1 ASP A 747 -14.729 2.999 -3.272 1.00 0.00 O ATOM 600 OD2 ASP A 747 -14.753 5.018 -4.142 1.00 0.00 O ATOM 0 H ASP A 747 -13.105 2.049 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.745 1.302 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.848 2.922 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.782 4.061 -6.203 1.00 0.00 H new ATOM 605 N ILE A 748 -16.211 3.093 -7.653 1.00 0.00 N ATOM 606 CA ILE A 748 -17.500 3.581 -8.124 1.00 0.00 C ATOM 607 C ILE A 748 -18.521 2.450 -8.198 1.00 0.00 C ATOM 608 O ILE A 748 -19.647 2.583 -7.719 1.00 0.00 O ATOM 609 CB ILE A 748 -17.381 4.242 -9.513 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.280 5.305 -9.504 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.712 4.855 -9.925 1.00 0.00 C ATOM 612 CD1 ILE A 748 -16.104 6.005 -10.834 1.00 0.00 C ATOM 0 H ILE A 748 -15.452 3.188 -8.328 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.837 4.327 -7.404 1.00 0.00 H new ATOM 0 HB ILE A 748 -17.115 3.476 -10.241 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.509 6.047 -8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.337 4.837 -9.221 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.611 5.317 -10.907 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.474 4.076 -9.967 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -19.005 5.611 -9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -15.307 6.745 -10.753 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -15.844 5.273 -11.599 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -17.034 6.502 -11.109 1.00 0.00 H new ATOM 624 N LEU A 749 -18.121 1.335 -8.802 1.00 0.00 N ATOM 625 CA LEU A 749 -19.000 0.182 -8.938 1.00 0.00 C ATOM 626 C LEU A 749 -19.404 -0.360 -7.570 1.00 0.00 C ATOM 627 O LEU A 749 -20.549 -0.759 -7.362 1.00 0.00 O ATOM 628 CB LEU A 749 -18.313 -0.918 -9.751 1.00 0.00 C ATOM 629 CG LEU A 749 -19.246 -1.755 -10.627 1.00 0.00 C ATOM 630 CD1 LEU A 749 -18.521 -2.230 -11.877 1.00 0.00 C ATOM 631 CD2 LEU A 749 -19.793 -2.938 -9.843 1.00 0.00 C ATOM 0 H LEU A 749 -17.193 1.207 -9.205 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.900 0.504 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.556 -0.459 -10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -17.790 -1.584 -9.064 1.00 0.00 H new ATOM 0 HG LEU A 749 -20.084 -1.129 -10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -19.201 -2.824 -12.488 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -18.178 -1.368 -12.449 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -17.664 -2.839 -11.591 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -20.455 -3.523 -10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -18.967 -3.564 -9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -20.349 -2.576 -8.979 1.00 0.00 H new ATOM 643 N ASN A 750 -18.454 -0.370 -6.640 1.00 0.00 N ATOM 644 CA ASN A 750 -18.710 -0.863 -5.292 1.00 0.00 C ATOM 645 C ASN A 750 -19.782 -0.025 -4.602 1.00 0.00 C ATOM 646 O ASN A 750 -20.806 -0.549 -4.162 1.00 0.00 O ATOM 647 CB ASN A 750 -17.422 -0.842 -4.466 1.00 0.00 C ATOM 648 CG ASN A 750 -17.333 -2.013 -3.507 1.00 0.00 C ATOM 649 OD1 ASN A 750 -18.039 -3.010 -3.658 1.00 0.00 O ATOM 650 ND2 ASN A 750 -16.461 -1.898 -2.512 1.00 0.00 N ATOM 0 H ASN A 750 -17.501 -0.042 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 750 -19.068 -1.890 -5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.563 -0.859 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.369 0.090 -3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -16.357 -2.654 -1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -15.896 -1.054 -2.424 1.00 0.00 H new ATOM 657 N GLU A 751 -19.542 1.279 -4.512 1.00 0.00 N ATOM 658 CA GLU A 751 -20.487 2.189 -3.878 1.00 0.00 C ATOM 659 C GLU A 751 -21.824 2.187 -4.613 1.00 0.00 C ATOM 660 O GLU A 751 -22.877 2.379 -4.004 1.00 0.00 O ATOM 661 CB GLU A 751 -19.915 3.608 -3.841 1.00 0.00 C ATOM 662 CG GLU A 751 -19.609 4.176 -5.216 1.00 0.00 C ATOM 663 CD GLU A 751 -18.865 5.495 -5.150 1.00 0.00 C ATOM 664 OE1 GLU A 751 -18.124 5.710 -4.167 1.00 0.00 O ATOM 665 OE2 GLU A 751 -19.026 6.314 -6.080 1.00 0.00 O ATOM 0 H GLU A 751 -18.700 1.729 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.654 1.844 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -20.624 4.264 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -19.002 3.607 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -19.015 3.456 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -20.541 4.316 -5.763 1.00 0.00 H new ATOM 672 N GLU A 752 -21.773 1.967 -5.922 1.00 0.00 N ATOM 673 CA GLU A 752 -22.980 1.939 -6.739 1.00 0.00 C ATOM 674 C GLU A 752 -23.709 3.277 -6.680 1.00 0.00 C ATOM 675 O GLU A 752 -24.662 3.442 -5.918 1.00 0.00 O ATOM 676 CB GLU A 752 -23.911 0.817 -6.275 1.00 0.00 C ATOM 677 CG GLU A 752 -24.730 0.204 -7.398 1.00 0.00 C ATOM 678 CD GLU A 752 -24.986 -1.277 -7.192 1.00 0.00 C ATOM 679 OE1 GLU A 752 -24.143 -1.941 -6.553 1.00 0.00 O ATOM 680 OE2 GLU A 752 -26.028 -1.772 -7.669 1.00 0.00 O ATOM 0 H GLU A 752 -20.909 1.806 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 752 -22.684 1.752 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -23.317 0.036 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -24.587 1.208 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -25.684 0.727 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -24.209 0.351 -8.344 1.00 0.00 H new ATOM 687 N ASN A 753 -23.253 4.230 -7.486 1.00 0.00 N ATOM 688 CA ASN A 753 -23.863 5.555 -7.524 1.00 0.00 C ATOM 689 C ASN A 753 -25.295 5.480 -8.043 1.00 0.00 C ATOM 690 O ASN A 753 -25.502 4.889 -9.124 1.00 0.00 O ATOM 691 CB ASN A 753 -23.037 6.493 -8.405 1.00 0.00 C ATOM 692 CG ASN A 753 -21.799 7.011 -7.697 1.00 0.00 C ATOM 693 OD1 ASN A 753 -20.688 6.538 -7.938 1.00 0.00 O ATOM 694 ND2 ASN A 753 -21.986 7.988 -6.816 1.00 0.00 N ATOM 695 OXT ASN A 753 -26.198 6.014 -7.364 1.00 0.00 O ATOM 0 H ASN A 753 -22.464 4.110 -8.121 1.00 0.00 H new ATOM 0 HA ASN A 753 -23.885 5.948 -6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -22.740 5.967 -9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -23.655 7.336 -8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -21.191 8.376 -6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -22.925 8.350 -6.648 1.00 0.00 H new TER 702 ASN A 753