USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=13 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= 0.103 USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= -4.72! USER MOD Single : A 719 SER OG : rot 180:sc= -0.399 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 :FLIP amide:sc= 0.617 F(o=-0.29,f=0.62) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 732 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 735 LYS NZ :NH3+ -171:sc= -0.352 (180deg=-0.416) USER MOD Single : A 736 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.5!) USER MOD Single : A 743 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.1) USER MOD Single : A 746 MET CE :methyl 164:sc= -0.0916 (180deg=-0.504) USER MOD Single : A 750 ASN : amide:sc= 0.0659 X(o=0.066,f=0) USER MOD Single : A 753 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 27.052 31.911 9.692 1.00 0.00 N ATOM 2 CA SER A 711 26.771 33.371 9.698 1.00 0.00 C ATOM 3 C SER A 711 25.471 33.684 8.967 1.00 0.00 C ATOM 4 O SER A 711 24.738 32.779 8.565 1.00 0.00 O ATOM 5 CB SER A 711 27.941 34.096 9.030 1.00 0.00 C ATOM 6 OG SER A 711 27.956 35.468 9.379 1.00 0.00 O ATOM 0 HA SER A 711 26.658 33.710 10.728 1.00 0.00 H new ATOM 0 HB2 SER A 711 28.880 33.631 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 711 27.866 33.994 7.947 1.00 0.00 H new ATOM 0 HG SER A 711 28.714 35.909 8.941 1.00 0.00 H new ATOM 14 N LYS A 712 25.189 34.972 8.797 1.00 0.00 N ATOM 15 CA LYS A 712 23.975 35.405 8.114 1.00 0.00 C ATOM 16 C LYS A 712 24.150 35.339 6.600 1.00 0.00 C ATOM 17 O LYS A 712 24.797 36.197 6.002 1.00 0.00 O ATOM 18 CB LYS A 712 23.610 36.829 8.536 1.00 0.00 C ATOM 19 CG LYS A 712 23.534 37.017 10.042 1.00 0.00 C ATOM 20 CD LYS A 712 23.788 38.463 10.435 1.00 0.00 C ATOM 21 CE LYS A 712 23.069 38.824 11.726 1.00 0.00 C ATOM 22 NZ LYS A 712 23.872 38.464 12.928 1.00 0.00 N ATOM 0 H LYS A 712 25.784 35.734 9.123 1.00 0.00 H new ATOM 0 HA LYS A 712 23.167 34.731 8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 712 24.348 37.520 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 712 22.649 37.094 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 712 22.551 36.709 10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 712 24.267 36.372 10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 712 24.859 38.626 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 712 23.454 39.123 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 712 22.858 39.893 11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 712 22.109 38.309 11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 23.348 38.726 13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 24.052 37.440 12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 24.778 38.975 12.906 1.00 0.00 H new ATOM 36 N LEU A 713 23.567 34.314 5.986 1.00 0.00 N ATOM 37 CA LEU A 713 23.659 34.135 4.542 1.00 0.00 C ATOM 38 C LEU A 713 22.421 33.425 4.004 1.00 0.00 C ATOM 39 O LEU A 713 21.493 33.119 4.752 1.00 0.00 O ATOM 40 CB LEU A 713 24.915 33.339 4.184 1.00 0.00 C ATOM 41 CG LEU A 713 26.183 34.176 4.004 1.00 0.00 C ATOM 42 CD1 LEU A 713 27.409 33.279 3.949 1.00 0.00 C ATOM 43 CD2 LEU A 713 26.084 35.027 2.746 1.00 0.00 C ATOM 0 H LEU A 713 23.026 33.595 6.466 1.00 0.00 H new ATOM 0 HA LEU A 713 23.720 35.121 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 713 25.093 32.600 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 713 24.727 32.789 3.262 1.00 0.00 H new ATOM 0 HG LEU A 713 26.283 34.841 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 713 28.302 33.891 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 713 27.487 32.713 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 713 27.318 32.589 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 713 26.994 35.616 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 713 25.960 34.380 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 713 25.227 35.695 2.825 1.00 0.00 H new ATOM 55 N GLU A 714 22.414 33.165 2.700 1.00 0.00 N ATOM 56 CA GLU A 714 21.291 32.491 2.060 1.00 0.00 C ATOM 57 C GLU A 714 21.074 31.106 2.662 1.00 0.00 C ATOM 58 O GLU A 714 20.052 30.847 3.299 1.00 0.00 O ATOM 59 CB GLU A 714 21.531 32.372 0.554 1.00 0.00 C ATOM 60 CG GLU A 714 21.019 33.564 -0.238 1.00 0.00 C ATOM 61 CD GLU A 714 20.358 33.157 -1.541 1.00 0.00 C ATOM 62 OE1 GLU A 714 19.298 32.497 -1.488 1.00 0.00 O ATOM 63 OE2 GLU A 714 20.900 33.499 -2.613 1.00 0.00 O ATOM 0 H GLU A 714 23.174 33.411 2.066 1.00 0.00 H new ATOM 0 HA GLU A 714 20.395 33.088 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 714 22.600 32.257 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 714 21.046 31.467 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 714 20.305 34.120 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 714 21.849 34.238 -0.451 1.00 0.00 H new ATOM 70 N GLY A 715 22.042 30.218 2.458 1.00 0.00 N ATOM 71 CA GLY A 715 21.938 28.871 2.987 1.00 0.00 C ATOM 72 C GLY A 715 21.407 27.885 1.964 1.00 0.00 C ATOM 73 O GLY A 715 21.723 26.698 2.018 1.00 0.00 O ATOM 0 H GLY A 715 22.897 30.408 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 715 22.919 28.542 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 715 21.282 28.875 3.857 1.00 0.00 H new ATOM 77 N SER A 716 20.597 28.380 1.034 1.00 0.00 N ATOM 78 CA SER A 716 20.021 27.533 -0.005 1.00 0.00 C ATOM 79 C SER A 716 21.115 26.880 -0.844 1.00 0.00 C ATOM 80 O SER A 716 21.744 27.531 -1.678 1.00 0.00 O ATOM 81 CB SER A 716 19.095 28.353 -0.904 1.00 0.00 C ATOM 82 OG SER A 716 18.528 27.549 -1.923 1.00 0.00 O ATOM 0 H SER A 716 20.325 29.361 0.978 1.00 0.00 H new ATOM 0 HA SER A 716 19.443 26.747 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 716 18.301 28.798 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 716 19.653 29.174 -1.353 1.00 0.00 H new ATOM 0 HG SER A 716 17.939 28.097 -2.483 1.00 0.00 H new ATOM 88 N GLU A 717 21.335 25.590 -0.616 1.00 0.00 N ATOM 89 CA GLU A 717 22.354 24.846 -1.352 1.00 0.00 C ATOM 90 C GLU A 717 21.786 23.541 -1.897 1.00 0.00 C ATOM 91 O GLU A 717 21.240 22.730 -1.149 1.00 0.00 O ATOM 92 CB GLU A 717 23.556 24.559 -0.450 1.00 0.00 C ATOM 93 CG GLU A 717 24.863 24.404 -1.210 1.00 0.00 C ATOM 94 CD GLU A 717 26.072 24.400 -0.296 1.00 0.00 C ATOM 95 OE1 GLU A 717 25.995 25.007 0.793 1.00 0.00 O ATOM 96 OE2 GLU A 717 27.095 23.787 -0.667 1.00 0.00 O ATOM 0 H GLU A 717 20.823 25.037 0.071 1.00 0.00 H new ATOM 0 HA GLU A 717 22.680 25.457 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 717 23.659 25.369 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 717 23.365 23.648 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 717 24.840 23.475 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 717 24.959 25.217 -1.930 1.00 0.00 H new ATOM 103 N ASP A 718 21.920 23.344 -3.205 1.00 0.00 N ATOM 104 CA ASP A 718 21.420 22.135 -3.850 1.00 0.00 C ATOM 105 C ASP A 718 19.910 22.013 -3.682 1.00 0.00 C ATOM 106 O ASP A 718 19.430 21.368 -2.749 1.00 0.00 O ATOM 107 CB ASP A 718 22.112 20.898 -3.273 1.00 0.00 C ATOM 108 CG ASP A 718 22.131 19.738 -4.248 1.00 0.00 C ATOM 109 OD1 ASP A 718 22.110 19.990 -5.471 1.00 0.00 O ATOM 110 OD2 ASP A 718 22.165 18.578 -3.788 1.00 0.00 O ATOM 0 H ASP A 718 22.370 24.005 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 718 21.644 22.203 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 718 23.135 21.153 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 718 21.602 20.593 -2.359 1.00 0.00 H new ATOM 115 N SER A 719 19.165 22.636 -4.589 1.00 0.00 N ATOM 116 CA SER A 719 17.708 22.596 -4.541 1.00 0.00 C ATOM 117 C SER A 719 17.190 23.207 -3.243 1.00 0.00 C ATOM 118 O SER A 719 17.913 23.279 -2.249 1.00 0.00 O ATOM 119 CB SER A 719 17.212 21.155 -4.675 1.00 0.00 C ATOM 120 OG SER A 719 15.824 21.068 -4.404 1.00 0.00 O ATOM 0 H SER A 719 19.546 23.175 -5.367 1.00 0.00 H new ATOM 0 HA SER A 719 17.325 23.183 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 719 17.413 20.790 -5.682 1.00 0.00 H new ATOM 0 HB3 SER A 719 17.761 20.512 -3.987 1.00 0.00 H new ATOM 0 HG SER A 719 15.530 20.138 -4.498 1.00 0.00 H new ATOM 126 N LEU A 720 15.936 23.643 -3.259 1.00 0.00 N ATOM 127 CA LEU A 720 15.321 24.247 -2.083 1.00 0.00 C ATOM 128 C LEU A 720 13.935 23.662 -1.830 1.00 0.00 C ATOM 129 O LEU A 720 13.705 22.995 -0.821 1.00 0.00 O ATOM 130 CB LEU A 720 15.223 25.764 -2.254 1.00 0.00 C ATOM 131 CG LEU A 720 15.413 26.574 -0.971 1.00 0.00 C ATOM 132 CD1 LEU A 720 14.252 26.341 -0.016 1.00 0.00 C ATOM 133 CD2 LEU A 720 16.733 26.216 -0.306 1.00 0.00 C ATOM 0 H LEU A 720 15.325 23.590 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 720 15.951 24.025 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 720 15.971 26.081 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 720 14.247 26.004 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 720 15.435 27.632 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 720 14.404 26.925 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 720 13.321 26.648 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 720 14.197 25.283 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 720 16.852 26.802 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 720 16.740 25.154 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 720 17.555 26.435 -0.988 1.00 0.00 H new ATOM 145 N TYR A 721 13.013 23.917 -2.754 1.00 0.00 N ATOM 146 CA TYR A 721 11.649 23.416 -2.632 1.00 0.00 C ATOM 147 C TYR A 721 11.239 22.636 -3.878 1.00 0.00 C ATOM 148 O TYR A 721 10.058 22.559 -4.213 1.00 0.00 O ATOM 149 CB TYR A 721 10.678 24.576 -2.400 1.00 0.00 C ATOM 150 CG TYR A 721 9.573 24.255 -1.419 1.00 0.00 C ATOM 151 CD1 TYR A 721 9.865 23.789 -0.143 1.00 0.00 C ATOM 152 CD2 TYR A 721 8.240 24.417 -1.770 1.00 0.00 C ATOM 153 CE1 TYR A 721 8.857 23.496 0.757 1.00 0.00 C ATOM 154 CE2 TYR A 721 7.226 24.126 -0.875 1.00 0.00 C ATOM 155 CZ TYR A 721 7.540 23.666 0.385 1.00 0.00 C ATOM 156 OH TYR A 721 6.535 23.372 1.277 1.00 0.00 O ATOM 0 H TYR A 721 13.186 24.468 -3.595 1.00 0.00 H new ATOM 0 HA TYR A 721 11.612 22.741 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 721 11.236 25.438 -2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 721 10.234 24.863 -3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 721 10.895 23.654 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 721 7.990 24.776 -2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 721 9.100 23.136 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 721 6.194 24.259 -1.163 1.00 0.00 H new ATOM 0 HH TYR A 721 5.666 23.547 0.860 1.00 0.00 H new ATOM 166 N SER A 722 12.223 22.057 -4.561 1.00 0.00 N ATOM 167 CA SER A 722 11.963 21.283 -5.769 1.00 0.00 C ATOM 168 C SER A 722 11.022 20.116 -5.483 1.00 0.00 C ATOM 169 O SER A 722 10.343 19.622 -6.382 1.00 0.00 O ATOM 170 CB SER A 722 13.275 20.761 -6.356 1.00 0.00 C ATOM 171 OG SER A 722 13.232 20.753 -7.773 1.00 0.00 O ATOM 0 H SER A 722 13.207 22.110 -4.298 1.00 0.00 H new ATOM 0 HA SER A 722 11.482 21.942 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 722 14.102 21.385 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 722 13.466 19.752 -5.989 1.00 0.00 H new ATOM 0 HG SER A 722 14.083 20.417 -8.124 1.00 0.00 H new ATOM 177 N ASP A 723 10.985 19.678 -4.227 1.00 0.00 N ATOM 178 CA ASP A 723 10.123 18.570 -3.832 1.00 0.00 C ATOM 179 C ASP A 723 8.655 18.919 -4.055 1.00 0.00 C ATOM 180 O ASP A 723 7.941 18.219 -4.772 1.00 0.00 O ATOM 181 CB ASP A 723 10.358 18.213 -2.364 1.00 0.00 C ATOM 182 CG ASP A 723 10.258 16.721 -2.109 1.00 0.00 C ATOM 183 OD1 ASP A 723 9.601 16.023 -2.910 1.00 0.00 O ATOM 184 OD2 ASP A 723 10.837 16.251 -1.105 1.00 0.00 O ATOM 0 H ASP A 723 11.541 20.073 -3.468 1.00 0.00 H new ATOM 0 HA ASP A 723 10.371 17.708 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 723 11.344 18.566 -2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 723 9.628 18.735 -1.745 1.00 0.00 H new ATOM 189 N TYR A 724 8.214 20.008 -3.435 1.00 0.00 N ATOM 190 CA TYR A 724 6.833 20.458 -3.562 1.00 0.00 C ATOM 191 C TYR A 724 6.554 20.950 -4.982 1.00 0.00 C ATOM 192 O TYR A 724 5.434 20.835 -5.480 1.00 0.00 O ATOM 193 CB TYR A 724 6.550 21.568 -2.542 1.00 0.00 C ATOM 194 CG TYR A 724 5.470 22.538 -2.970 1.00 0.00 C ATOM 195 CD1 TYR A 724 5.760 23.592 -3.826 1.00 0.00 C ATOM 196 CD2 TYR A 724 4.165 22.396 -2.523 1.00 0.00 C ATOM 197 CE1 TYR A 724 4.779 24.478 -4.224 1.00 0.00 C ATOM 198 CE2 TYR A 724 3.177 23.276 -2.917 1.00 0.00 C ATOM 199 CZ TYR A 724 3.489 24.316 -3.767 1.00 0.00 C ATOM 200 OH TYR A 724 2.507 25.196 -4.163 1.00 0.00 O ATOM 0 H TYR A 724 8.795 20.597 -2.838 1.00 0.00 H new ATOM 0 HA TYR A 724 6.170 19.616 -3.360 1.00 0.00 H new ATOM 0 HB2 TYR A 724 6.260 21.112 -1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 724 7.470 22.123 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 724 6.770 23.721 -4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 724 3.918 21.584 -1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 724 5.021 25.293 -4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 724 2.165 23.151 -2.561 1.00 0.00 H new ATOM 0 HH TYR A 724 1.654 24.941 -3.753 1.00 0.00 H new ATOM 210 N VAL A 725 7.578 21.501 -5.622 1.00 0.00 N ATOM 211 CA VAL A 725 7.445 22.015 -6.980 1.00 0.00 C ATOM 212 C VAL A 725 7.431 20.877 -7.999 1.00 0.00 C ATOM 213 O VAL A 725 6.765 20.965 -9.031 1.00 0.00 O ATOM 214 CB VAL A 725 8.590 22.995 -7.313 1.00 0.00 C ATOM 215 CG1 VAL A 725 8.560 23.399 -8.782 1.00 0.00 C ATOM 216 CG2 VAL A 725 8.511 24.222 -6.415 1.00 0.00 C ATOM 0 H VAL A 725 8.511 21.604 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 725 6.496 22.548 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 725 9.537 22.487 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 725 9.378 24.090 -8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 725 8.670 22.512 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL A 725 7.611 23.885 -9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 725 9.324 24.905 -6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 725 7.556 24.725 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 725 8.596 23.916 -5.372 1.00 0.00 H new ATOM 226 N ASP A 726 8.166 19.812 -7.701 1.00 0.00 N ATOM 227 CA ASP A 726 8.233 18.659 -8.593 1.00 0.00 C ATOM 228 C ASP A 726 6.898 17.919 -8.626 1.00 0.00 C ATOM 229 O ASP A 726 6.561 17.275 -9.618 1.00 0.00 O ATOM 230 CB ASP A 726 9.347 17.708 -8.147 1.00 0.00 C ATOM 231 CG ASP A 726 9.492 16.513 -9.071 1.00 0.00 C ATOM 232 OD1 ASP A 726 8.718 15.546 -8.915 1.00 0.00 O ATOM 233 OD2 ASP A 726 10.381 16.547 -9.948 1.00 0.00 O ATOM 0 H ASP A 726 8.723 19.722 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 726 8.453 19.019 -9.598 1.00 0.00 H new ATOM 0 HB2 ASP A 726 10.291 18.251 -8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 726 9.139 17.359 -7.136 1.00 0.00 H new ATOM 238 N VAL A 727 6.145 18.019 -7.537 1.00 0.00 N ATOM 239 CA VAL A 727 4.847 17.359 -7.443 1.00 0.00 C ATOM 240 C VAL A 727 3.904 17.843 -8.540 1.00 0.00 C ATOM 241 O VAL A 727 3.043 17.098 -9.004 1.00 0.00 O ATOM 242 CB VAL A 727 4.190 17.605 -6.073 1.00 0.00 C ATOM 243 CG1 VAL A 727 2.936 16.757 -5.921 1.00 0.00 C ATOM 244 CG2 VAL A 727 5.175 17.316 -4.948 1.00 0.00 C ATOM 0 H VAL A 727 6.410 18.550 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 727 5.026 16.291 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 727 3.901 18.654 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 727 2.486 16.945 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 727 2.225 17.016 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 727 3.198 15.702 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 727 4.693 17.495 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 727 5.496 16.276 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 727 6.042 17.969 -5.047 1.00 0.00 H new ATOM 254 N PHE A 728 4.075 19.095 -8.949 1.00 0.00 N ATOM 255 CA PHE A 728 3.239 19.678 -9.993 1.00 0.00 C ATOM 256 C PHE A 728 3.816 19.388 -11.375 1.00 0.00 C ATOM 257 O PHE A 728 3.077 19.245 -12.350 1.00 0.00 O ATOM 258 CB PHE A 728 3.111 21.189 -9.789 1.00 0.00 C ATOM 259 CG PHE A 728 2.451 21.566 -8.492 1.00 0.00 C ATOM 260 CD1 PHE A 728 3.181 21.608 -7.316 1.00 0.00 C ATOM 261 CD2 PHE A 728 1.102 21.877 -8.452 1.00 0.00 C ATOM 262 CE1 PHE A 728 2.576 21.954 -6.122 1.00 0.00 C ATOM 263 CE2 PHE A 728 0.492 22.224 -7.262 1.00 0.00 C ATOM 264 CZ PHE A 728 1.230 22.263 -6.095 1.00 0.00 C ATOM 0 H PHE A 728 4.784 19.726 -8.574 1.00 0.00 H new ATOM 0 HA PHE A 728 2.250 19.224 -9.928 1.00 0.00 H new ATOM 0 HB2 PHE A 728 4.104 21.638 -9.826 1.00 0.00 H new ATOM 0 HB3 PHE A 728 2.539 21.612 -10.615 1.00 0.00 H new ATOM 0 HD1 PHE A 728 4.234 21.368 -7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 728 0.520 21.848 -9.361 1.00 0.00 H new ATOM 0 HE1 PHE A 728 3.155 21.983 -5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -0.561 22.465 -7.244 1.00 0.00 H new ATOM 0 HZ PHE A 728 0.756 22.534 -5.164 1.00 0.00 H new ATOM 274 N TYR A 729 5.140 19.300 -11.452 1.00 0.00 N ATOM 275 CA TYR A 729 5.817 19.025 -12.713 1.00 0.00 C ATOM 276 C TYR A 729 6.466 17.646 -12.693 1.00 0.00 C ATOM 277 O TYR A 729 7.538 17.444 -13.262 1.00 0.00 O ATOM 278 CB TYR A 729 6.874 20.094 -12.993 1.00 0.00 C ATOM 279 CG TYR A 729 6.316 21.347 -13.633 1.00 0.00 C ATOM 280 CD1 TYR A 729 6.044 21.390 -14.995 1.00 0.00 C ATOM 281 CD2 TYR A 729 6.062 22.484 -12.877 1.00 0.00 C ATOM 282 CE1 TYR A 729 5.536 22.532 -15.585 1.00 0.00 C ATOM 283 CE2 TYR A 729 5.551 23.628 -13.459 1.00 0.00 C ATOM 284 CZ TYR A 729 5.291 23.647 -14.812 1.00 0.00 C ATOM 285 OH TYR A 729 4.783 24.785 -15.395 1.00 0.00 O ATOM 0 H TYR A 729 5.765 19.415 -10.655 1.00 0.00 H new ATOM 0 HA TYR A 729 5.071 19.044 -13.508 1.00 0.00 H new ATOM 0 HB2 TYR A 729 7.364 20.362 -12.057 1.00 0.00 H new ATOM 0 HB3 TYR A 729 7.640 19.674 -13.645 1.00 0.00 H new ATOM 0 HD1 TYR A 729 6.233 20.517 -15.602 1.00 0.00 H new ATOM 0 HD2 TYR A 729 6.267 22.474 -11.817 1.00 0.00 H new ATOM 0 HE1 TYR A 729 5.332 22.551 -16.645 1.00 0.00 H new ATOM 0 HE2 TYR A 729 5.356 24.503 -12.857 1.00 0.00 H new ATOM 0 HH TYR A 729 4.667 25.479 -14.712 1.00 0.00 H new ATOM 295 N ASN A 730 5.808 16.698 -12.031 1.00 0.00 N ATOM 296 CA ASN A 730 6.320 15.336 -11.936 1.00 0.00 C ATOM 297 C ASN A 730 6.480 14.715 -13.318 1.00 0.00 C ATOM 298 O ASN A 730 6.001 15.258 -14.314 1.00 0.00 O ATOM 299 CB ASN A 730 5.386 14.477 -11.081 1.00 0.00 C ATOM 300 CG ASN A 730 6.103 13.306 -10.439 1.00 0.00 C ATOM 301 OD1 ASN A 730 5.537 12.113 -10.585 1.00 0.00 O flip ATOM 302 ND2 ASN A 730 7.154 13.470 -9.819 1.00 0.00 N flip ATOM 0 H ASN A 730 4.920 16.849 -11.553 1.00 0.00 H new ATOM 0 HA ASN A 730 7.301 15.376 -11.462 1.00 0.00 H new ATOM 0 HB2 ASN A 730 4.938 15.096 -10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 730 4.571 14.104 -11.701 1.00 0.00 H new ATOM 0 HD21 ASN A 730 7.554 14.404 -9.731 1.00 0.00 H new ATOM 0 HD22 ASN A 730 7.625 12.672 -9.393 1.00 0.00 H new ATOM 309 N THR A 731 7.156 13.572 -13.373 1.00 0.00 N ATOM 310 CA THR A 731 7.379 12.874 -14.635 1.00 0.00 C ATOM 311 C THR A 731 7.314 11.363 -14.440 1.00 0.00 C ATOM 312 O THR A 731 7.400 10.868 -13.316 1.00 0.00 O ATOM 313 CB THR A 731 8.734 13.267 -15.226 1.00 0.00 C ATOM 314 OG1 THR A 731 9.662 13.565 -14.199 1.00 0.00 O ATOM 315 CG2 THR A 731 8.661 14.471 -16.142 1.00 0.00 C ATOM 0 H THR A 731 7.559 13.109 -12.558 1.00 0.00 H new ATOM 0 HA THR A 731 6.590 13.166 -15.328 1.00 0.00 H new ATOM 0 HB THR A 731 9.055 12.405 -15.810 1.00 0.00 H new ATOM 0 HG1 THR A 731 10.523 13.812 -14.597 1.00 0.00 H new ATOM 0 HG21 THR A 731 9.656 14.696 -16.527 1.00 0.00 H new ATOM 0 HG22 THR A 731 7.990 14.255 -16.974 1.00 0.00 H new ATOM 0 HG23 THR A 731 8.284 15.329 -15.586 1.00 0.00 H new ATOM 323 N LYS A 732 7.163 10.636 -15.541 1.00 0.00 N ATOM 324 CA LYS A 732 7.088 9.181 -15.493 1.00 0.00 C ATOM 325 C LYS A 732 7.804 8.557 -16.688 1.00 0.00 C ATOM 326 O LYS A 732 7.171 8.187 -17.677 1.00 0.00 O ATOM 327 CB LYS A 732 5.627 8.725 -15.463 1.00 0.00 C ATOM 328 CG LYS A 732 4.889 9.127 -14.198 1.00 0.00 C ATOM 329 CD LYS A 732 4.093 10.406 -14.398 1.00 0.00 C ATOM 330 CE LYS A 732 2.766 10.133 -15.086 1.00 0.00 C ATOM 331 NZ LYS A 732 1.666 9.916 -14.106 1.00 0.00 N ATOM 0 H LYS A 732 7.090 11.031 -16.479 1.00 0.00 H new ATOM 0 HA LYS A 732 7.585 8.847 -14.582 1.00 0.00 H new ATOM 0 HB2 LYS A 732 5.107 9.143 -16.325 1.00 0.00 H new ATOM 0 HB3 LYS A 732 5.592 7.640 -15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 732 4.217 8.323 -13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 732 5.604 9.266 -13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 732 3.913 10.879 -13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 732 4.675 11.109 -14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 732 2.514 10.972 -15.734 1.00 0.00 H new ATOM 0 HE3 LYS A 732 2.862 9.255 -15.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 0.778 9.733 -14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 1.894 9.100 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 1.557 10.764 -13.513 1.00 0.00 H new ATOM 345 N PRO A 733 9.140 8.433 -16.611 1.00 0.00 N ATOM 346 CA PRO A 733 9.941 7.851 -17.693 1.00 0.00 C ATOM 347 C PRO A 733 9.412 6.492 -18.140 1.00 0.00 C ATOM 348 O PRO A 733 9.020 6.315 -19.294 1.00 0.00 O ATOM 349 CB PRO A 733 11.330 7.703 -17.068 1.00 0.00 C ATOM 350 CG PRO A 733 11.375 8.739 -15.998 1.00 0.00 C ATOM 351 CD PRO A 733 9.973 8.848 -15.467 1.00 0.00 C ATOM 0 HA PRO A 733 9.926 8.472 -18.589 1.00 0.00 H new ATOM 0 HB2 PRO A 733 11.475 6.704 -16.658 1.00 0.00 H new ATOM 0 HB3 PRO A 733 12.116 7.862 -17.807 1.00 0.00 H new ATOM 0 HG2 PRO A 733 12.070 8.454 -15.208 1.00 0.00 H new ATOM 0 HG3 PRO A 733 11.717 9.695 -16.395 1.00 0.00 H new ATOM 0 HD2 PRO A 733 9.819 8.202 -14.603 1.00 0.00 H new ATOM 0 HD3 PRO A 733 9.742 9.865 -15.150 1.00 0.00 H new ATOM 359 N TYR A 734 9.403 5.534 -17.219 1.00 0.00 N ATOM 360 CA TYR A 734 8.923 4.190 -17.519 1.00 0.00 C ATOM 361 C TYR A 734 8.099 3.635 -16.361 1.00 0.00 C ATOM 362 O TYR A 734 8.134 2.438 -16.079 1.00 0.00 O ATOM 363 CB TYR A 734 10.098 3.259 -17.816 1.00 0.00 C ATOM 364 CG TYR A 734 10.895 3.658 -19.038 1.00 0.00 C ATOM 365 CD1 TYR A 734 10.334 3.588 -20.307 1.00 0.00 C ATOM 366 CD2 TYR A 734 12.205 4.105 -18.922 1.00 0.00 C ATOM 367 CE1 TYR A 734 11.059 3.950 -21.427 1.00 0.00 C ATOM 368 CE2 TYR A 734 12.935 4.470 -20.037 1.00 0.00 C ATOM 369 CZ TYR A 734 12.357 4.391 -21.287 1.00 0.00 C ATOM 370 OH TYR A 734 13.082 4.754 -22.400 1.00 0.00 O ATOM 0 H TYR A 734 9.723 5.663 -16.259 1.00 0.00 H new ATOM 0 HA TYR A 734 8.285 4.249 -18.400 1.00 0.00 H new ATOM 0 HB2 TYR A 734 10.761 3.238 -16.951 1.00 0.00 H new ATOM 0 HB3 TYR A 734 9.721 2.245 -17.954 1.00 0.00 H new ATOM 0 HD1 TYR A 734 9.316 3.246 -20.420 1.00 0.00 H new ATOM 0 HD2 TYR A 734 12.660 4.168 -17.945 1.00 0.00 H new ATOM 0 HE1 TYR A 734 10.610 3.887 -22.407 1.00 0.00 H new ATOM 0 HE2 TYR A 734 13.953 4.815 -19.930 1.00 0.00 H new ATOM 0 HH TYR A 734 13.978 5.042 -22.127 1.00 0.00 H new ATOM 380 N LYS A 735 7.360 4.514 -15.693 1.00 0.00 N ATOM 381 CA LYS A 735 6.526 4.114 -14.565 1.00 0.00 C ATOM 382 C LYS A 735 5.112 4.664 -14.710 1.00 0.00 C ATOM 383 O LYS A 735 4.844 5.491 -15.581 1.00 0.00 O ATOM 384 CB LYS A 735 7.143 4.597 -13.251 1.00 0.00 C ATOM 385 CG LYS A 735 8.635 4.327 -13.144 1.00 0.00 C ATOM 386 CD LYS A 735 9.125 4.469 -11.712 1.00 0.00 C ATOM 387 CE LYS A 735 9.235 3.119 -11.024 1.00 0.00 C ATOM 388 NZ LYS A 735 7.982 2.324 -11.156 1.00 0.00 N ATOM 0 H LYS A 735 7.321 5.509 -15.913 1.00 0.00 H new ATOM 0 HA LYS A 735 6.472 3.025 -14.554 1.00 0.00 H new ATOM 0 HB2 LYS A 735 6.968 5.668 -13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 735 6.634 4.110 -12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 735 8.851 3.322 -13.506 1.00 0.00 H new ATOM 0 HG3 LYS A 735 9.178 5.020 -13.786 1.00 0.00 H new ATOM 0 HD2 LYS A 735 10.097 4.962 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 735 8.441 5.108 -11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 735 10.067 2.560 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 735 9.461 3.267 -9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 8.040 1.481 -10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 7.170 2.905 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 7.860 2.030 -12.146 1.00 0.00 H new ATOM 402 N HIS A 736 4.211 4.199 -13.851 1.00 0.00 N ATOM 403 CA HIS A 736 2.823 4.646 -13.884 1.00 0.00 C ATOM 404 C HIS A 736 2.089 4.239 -12.610 1.00 0.00 C ATOM 405 O HIS A 736 2.670 3.620 -11.717 1.00 0.00 O ATOM 406 CB HIS A 736 2.108 4.065 -15.105 1.00 0.00 C ATOM 407 CG HIS A 736 2.111 2.568 -15.145 1.00 0.00 C ATOM 408 ND1 HIS A 736 1.493 1.841 -16.139 1.00 0.00 N ATOM 409 CD2 HIS A 736 2.665 1.661 -14.306 1.00 0.00 C ATOM 410 CE1 HIS A 736 1.665 0.550 -15.909 1.00 0.00 C ATOM 411 NE2 HIS A 736 2.373 0.415 -14.803 1.00 0.00 N ATOM 0 H HIS A 736 4.417 3.514 -13.124 1.00 0.00 H new ATOM 0 HA HIS A 736 2.820 5.734 -13.952 1.00 0.00 H new ATOM 0 HB2 HIS A 736 1.077 4.418 -15.114 1.00 0.00 H new ATOM 0 HB3 HIS A 736 2.583 4.445 -16.009 1.00 0.00 H new ATOM 0 HD1 HIS A 736 0.983 2.237 -16.929 1.00 0.00 H new ATOM 0 HD2 HIS A 736 3.231 1.877 -13.412 1.00 0.00 H new ATOM 0 HE1 HIS A 736 1.290 -0.256 -16.522 1.00 0.00 H new ATOM 420 N ARG A 737 0.810 4.590 -12.532 1.00 0.00 N ATOM 421 CA ARG A 737 -0.004 4.260 -11.368 1.00 0.00 C ATOM 422 C ARG A 737 -1.371 3.731 -11.793 1.00 0.00 C ATOM 423 O ARG A 737 -2.388 4.041 -11.173 1.00 0.00 O ATOM 424 CB ARG A 737 -0.176 5.491 -10.476 1.00 0.00 C ATOM 425 CG ARG A 737 0.968 5.697 -9.496 1.00 0.00 C ATOM 426 CD ARG A 737 0.571 6.631 -8.365 1.00 0.00 C ATOM 427 NE ARG A 737 1.024 7.999 -8.601 1.00 0.00 N ATOM 428 CZ ARG A 737 1.119 8.924 -7.648 1.00 0.00 C ATOM 429 NH1 ARG A 737 0.794 8.631 -6.394 1.00 0.00 N ATOM 430 NH2 ARG A 737 1.541 10.145 -7.947 1.00 0.00 N ATOM 0 H ARG A 737 0.315 5.103 -13.261 1.00 0.00 H new ATOM 0 HA ARG A 737 0.509 3.480 -10.805 1.00 0.00 H new ATOM 0 HB2 ARG A 737 -0.268 6.376 -11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -1.108 5.398 -9.919 1.00 0.00 H new ATOM 0 HG2 ARG A 737 1.274 4.735 -9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 737 1.830 6.107 -10.022 1.00 0.00 H new ATOM 0 HD2 ARG A 737 -0.513 6.623 -8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 737 0.993 6.266 -7.428 1.00 0.00 H new ATOM 0 HE ARG A 737 1.283 8.261 -9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 737 0.470 7.693 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 737 0.869 9.344 -5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 737 1.793 10.376 -8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 737 1.613 10.853 -7.216 1.00 0.00 H new ATOM 444 N ASP A 738 -1.385 2.930 -12.854 1.00 0.00 N ATOM 445 CA ASP A 738 -2.627 2.357 -13.361 1.00 0.00 C ATOM 446 C ASP A 738 -3.310 1.507 -12.295 1.00 0.00 C ATOM 447 O ASP A 738 -4.539 1.446 -12.229 1.00 0.00 O ATOM 448 CB ASP A 738 -2.350 1.509 -14.604 1.00 0.00 C ATOM 449 CG ASP A 738 -2.186 2.351 -15.854 1.00 0.00 C ATOM 450 OD1 ASP A 738 -3.150 3.051 -16.228 1.00 0.00 O ATOM 451 OD2 ASP A 738 -1.094 2.310 -16.459 1.00 0.00 O ATOM 0 H ASP A 738 -0.552 2.663 -13.379 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.294 3.177 -13.628 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -1.447 0.920 -14.445 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -3.168 0.804 -14.749 1.00 0.00 H new ATOM 456 N ASP A 739 -2.508 0.853 -11.461 1.00 0.00 N ATOM 457 CA ASP A 739 -3.038 0.008 -10.398 1.00 0.00 C ATOM 458 C ASP A 739 -3.907 0.818 -9.442 1.00 0.00 C ATOM 459 O ASP A 739 -4.922 0.328 -8.945 1.00 0.00 O ATOM 460 CB ASP A 739 -1.894 -0.655 -9.628 1.00 0.00 C ATOM 461 CG ASP A 739 -1.505 -1.997 -10.213 1.00 0.00 C ATOM 462 OD1 ASP A 739 -0.802 -2.015 -11.245 1.00 0.00 O ATOM 463 OD2 ASP A 739 -1.904 -3.033 -9.639 1.00 0.00 O ATOM 0 H ASP A 739 -1.490 0.892 -11.501 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.656 -0.765 -10.855 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.027 0.005 -9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -2.189 -0.787 -8.587 1.00 0.00 H new ATOM 468 N ARG A 740 -3.503 2.058 -9.188 1.00 0.00 N ATOM 469 CA ARG A 740 -4.247 2.936 -8.291 1.00 0.00 C ATOM 470 C ARG A 740 -5.552 3.389 -8.935 1.00 0.00 C ATOM 471 O ARG A 740 -6.566 3.553 -8.256 1.00 0.00 O ATOM 472 CB ARG A 740 -3.398 4.152 -7.915 1.00 0.00 C ATOM 473 CG ARG A 740 -3.562 4.582 -6.466 1.00 0.00 C ATOM 474 CD ARG A 740 -2.452 4.021 -5.590 1.00 0.00 C ATOM 475 NE ARG A 740 -2.008 4.984 -4.586 1.00 0.00 N ATOM 476 CZ ARG A 740 -0.846 4.900 -3.941 1.00 0.00 C ATOM 477 NH1 ARG A 740 -0.012 3.899 -4.190 1.00 0.00 N ATOM 478 NH2 ARG A 740 -0.520 5.820 -3.042 1.00 0.00 N ATOM 0 H ARG A 740 -2.665 2.478 -9.590 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.485 2.376 -7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.349 3.924 -8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.663 4.986 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -3.560 5.670 -6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -4.528 4.244 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -2.804 3.116 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -1.607 3.734 -6.215 1.00 0.00 H new ATOM 0 HE ARG A 740 -2.624 5.767 -4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -0.259 3.188 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 740 0.877 3.840 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -1.159 6.590 -2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 740 0.370 5.757 -2.547 1.00 0.00 H new ATOM 492 N LEU A 741 -5.522 3.585 -10.249 1.00 0.00 N ATOM 493 CA LEU A 741 -6.706 4.017 -10.983 1.00 0.00 C ATOM 494 C LEU A 741 -7.829 2.996 -10.841 1.00 0.00 C ATOM 495 O LEU A 741 -8.993 3.358 -10.676 1.00 0.00 O ATOM 496 CB LEU A 741 -6.370 4.226 -12.460 1.00 0.00 C ATOM 497 CG LEU A 741 -5.854 5.620 -12.816 1.00 0.00 C ATOM 498 CD1 LEU A 741 -4.376 5.744 -12.482 1.00 0.00 C ATOM 499 CD2 LEU A 741 -6.095 5.918 -14.289 1.00 0.00 C ATOM 0 H LEU A 741 -4.692 3.452 -10.827 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.043 4.964 -10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.620 3.492 -12.753 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.263 4.024 -13.052 1.00 0.00 H new ATOM 0 HG LEU A 741 -6.403 6.351 -12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.027 6.743 -12.742 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.229 5.575 -11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -3.812 5.003 -13.048 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.721 6.915 -14.524 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.573 5.181 -14.899 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.164 5.872 -14.499 1.00 0.00 H new ATOM 511 N LEU A 742 -7.469 1.717 -10.903 1.00 0.00 N ATOM 512 CA LEU A 742 -8.447 0.643 -10.777 1.00 0.00 C ATOM 513 C LEU A 742 -9.192 0.746 -9.450 1.00 0.00 C ATOM 514 O LEU A 742 -10.387 0.464 -9.375 1.00 0.00 O ATOM 515 CB LEU A 742 -7.759 -0.719 -10.886 1.00 0.00 C ATOM 516 CG LEU A 742 -7.576 -1.240 -12.312 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.804 -2.550 -12.308 1.00 0.00 C ATOM 518 CD2 LEU A 742 -8.926 -1.417 -12.991 1.00 0.00 C ATOM 0 H LEU A 742 -6.509 1.400 -11.039 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.168 0.741 -11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.780 -0.653 -10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.339 -1.448 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 742 -7.001 -0.506 -12.876 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -6.684 -2.905 -13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.822 -2.392 -11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -7.351 -3.293 -11.728 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -8.777 -1.788 -14.005 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -9.526 -2.131 -12.427 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -9.443 -0.458 -13.028 1.00 0.00 H new ATOM 530 N GLN A 743 -8.477 1.156 -8.408 1.00 0.00 N ATOM 531 CA GLN A 743 -9.071 1.301 -7.085 1.00 0.00 C ATOM 532 C GLN A 743 -10.180 2.348 -7.106 1.00 0.00 C ATOM 533 O GLN A 743 -11.267 2.126 -6.575 1.00 0.00 O ATOM 534 CB GLN A 743 -8.003 1.689 -6.061 1.00 0.00 C ATOM 535 CG GLN A 743 -7.357 0.496 -5.376 1.00 0.00 C ATOM 536 CD GLN A 743 -6.216 -0.090 -6.183 1.00 0.00 C ATOM 537 OE1 GLN A 743 -5.050 0.237 -5.961 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.546 -0.963 -7.127 1.00 0.00 N ATOM 0 H GLN A 743 -7.486 1.394 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.503 0.342 -6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.230 2.275 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.453 2.332 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.986 0.800 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -8.110 -0.273 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.525 -1.206 -7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -5.820 -1.391 -7.702 1.00 0.00 H new ATOM 547 N ALA A 744 -9.896 3.491 -7.724 1.00 0.00 N ATOM 548 CA ALA A 744 -10.869 4.571 -7.813 1.00 0.00 C ATOM 549 C ALA A 744 -12.010 4.204 -8.754 1.00 0.00 C ATOM 550 O ALA A 744 -13.182 4.368 -8.416 1.00 0.00 O ATOM 551 CB ALA A 744 -10.191 5.853 -8.275 1.00 0.00 C ATOM 0 H ALA A 744 -9.001 3.691 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.290 4.733 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -10.929 6.653 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.414 6.131 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.744 5.695 -9.256 1.00 0.00 H new ATOM 557 N LEU A 745 -11.661 3.705 -9.934 1.00 0.00 N ATOM 558 CA LEU A 745 -12.661 3.310 -10.921 1.00 0.00 C ATOM 559 C LEU A 745 -13.540 2.192 -10.377 1.00 0.00 C ATOM 560 O LEU A 745 -14.762 2.222 -10.520 1.00 0.00 O ATOM 561 CB LEU A 745 -11.982 2.860 -12.218 1.00 0.00 C ATOM 562 CG LEU A 745 -10.935 3.827 -12.776 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.816 3.063 -13.472 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.583 4.814 -13.736 1.00 0.00 C ATOM 0 H LEU A 745 -10.695 3.564 -10.231 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.290 4.174 -11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.506 1.895 -12.044 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.750 2.704 -12.976 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.504 4.384 -11.945 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.082 3.768 -13.862 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.334 2.394 -12.759 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.230 2.479 -14.294 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -10.825 5.495 -14.124 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.040 4.271 -14.563 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.348 5.385 -13.210 1.00 0.00 H new ATOM 576 N MET A 746 -12.908 1.205 -9.748 1.00 0.00 N ATOM 577 CA MET A 746 -13.632 0.076 -9.177 1.00 0.00 C ATOM 578 C MET A 746 -14.416 0.503 -7.940 1.00 0.00 C ATOM 579 O MET A 746 -15.458 -0.071 -7.624 1.00 0.00 O ATOM 580 CB MET A 746 -12.662 -1.051 -8.816 1.00 0.00 C ATOM 581 CG MET A 746 -11.980 -1.674 -10.022 1.00 0.00 C ATOM 582 SD MET A 746 -10.575 -2.710 -9.568 1.00 0.00 S ATOM 583 CE MET A 746 -11.297 -3.708 -8.267 1.00 0.00 C ATOM 0 H MET A 746 -11.897 1.165 -9.621 1.00 0.00 H new ATOM 0 HA MET A 746 -14.336 -0.287 -9.925 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.901 -0.662 -8.139 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.204 -1.826 -8.274 1.00 0.00 H new ATOM 0 HG2 MET A 746 -12.704 -2.272 -10.575 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.642 -0.883 -10.692 1.00 0.00 H new ATOM 0 HE1 MET A 746 -10.664 -4.575 -8.079 1.00 0.00 H new ATOM 0 HE2 MET A 746 -11.379 -3.115 -7.356 1.00 0.00 H new ATOM 0 HE3 MET A 746 -12.288 -4.042 -8.573 1.00 0.00 H new ATOM 593 N ASP A 747 -13.910 1.515 -7.241 1.00 0.00 N ATOM 594 CA ASP A 747 -14.566 2.018 -6.040 1.00 0.00 C ATOM 595 C ASP A 747 -15.970 2.523 -6.357 1.00 0.00 C ATOM 596 O ASP A 747 -16.887 2.389 -5.546 1.00 0.00 O ATOM 597 CB ASP A 747 -13.738 3.141 -5.413 1.00 0.00 C ATOM 598 CG ASP A 747 -12.788 2.631 -4.345 1.00 0.00 C ATOM 599 OD1 ASP A 747 -12.441 1.433 -4.382 1.00 0.00 O ATOM 600 OD2 ASP A 747 -12.393 3.432 -3.470 1.00 0.00 O ATOM 0 H ASP A 747 -13.048 2.002 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.647 1.195 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -13.167 3.647 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -14.407 3.882 -4.976 1.00 0.00 H new ATOM 605 N ILE A 748 -16.132 3.102 -7.542 1.00 0.00 N ATOM 606 CA ILE A 748 -17.422 3.626 -7.967 1.00 0.00 C ATOM 607 C ILE A 748 -18.454 2.509 -8.089 1.00 0.00 C ATOM 608 O ILE A 748 -19.576 2.628 -7.597 1.00 0.00 O ATOM 609 CB ILE A 748 -17.315 4.364 -9.316 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.206 5.415 -9.264 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.646 5.009 -9.678 1.00 0.00 C ATOM 612 CD1 ILE A 748 -16.040 6.187 -10.555 1.00 0.00 C ATOM 0 H ILE A 748 -15.384 3.220 -8.225 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.744 4.333 -7.202 1.00 0.00 H new ATOM 0 HB ILE A 748 -17.064 3.637 -10.088 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.419 6.116 -8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.264 4.925 -9.020 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.552 5.526 -10.633 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.414 4.239 -9.756 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.926 5.724 -8.905 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -15.236 6.914 -10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -15.796 5.497 -11.363 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -16.969 6.707 -10.790 1.00 0.00 H new ATOM 624 N LEU A 749 -18.066 1.423 -8.751 1.00 0.00 N ATOM 625 CA LEU A 749 -18.957 0.284 -8.939 1.00 0.00 C ATOM 626 C LEU A 749 -19.356 -0.321 -7.598 1.00 0.00 C ATOM 627 O LEU A 749 -20.504 -0.722 -7.403 1.00 0.00 O ATOM 628 CB LEU A 749 -18.284 -0.778 -9.811 1.00 0.00 C ATOM 629 CG LEU A 749 -19.226 -1.543 -10.741 1.00 0.00 C ATOM 630 CD1 LEU A 749 -20.352 -2.187 -9.949 1.00 0.00 C ATOM 631 CD2 LEU A 749 -19.785 -0.618 -11.812 1.00 0.00 C ATOM 0 H LEU A 749 -17.141 1.308 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.858 0.638 -9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.514 -0.297 -10.414 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -17.779 -1.493 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 749 -18.658 -2.333 -11.232 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -21.012 -2.727 -10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -19.934 -2.882 -9.221 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -20.919 -1.415 -9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -20.453 -1.179 -12.465 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -20.337 0.194 -11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -18.965 -0.205 -12.400 1.00 0.00 H new ATOM 643 N ASN A 750 -18.402 -0.386 -6.676 1.00 0.00 N ATOM 644 CA ASN A 750 -18.654 -0.942 -5.352 1.00 0.00 C ATOM 645 C ASN A 750 -19.729 -0.144 -4.622 1.00 0.00 C ATOM 646 O ASN A 750 -20.750 -0.691 -4.207 1.00 0.00 O ATOM 647 CB ASN A 750 -17.366 -0.958 -4.528 1.00 0.00 C ATOM 648 CG ASN A 750 -16.582 -2.243 -4.705 1.00 0.00 C ATOM 649 OD1 ASN A 750 -17.003 -3.309 -4.253 1.00 0.00 O ATOM 650 ND2 ASN A 750 -15.434 -2.151 -5.367 1.00 0.00 N ATOM 0 H ASN A 750 -17.446 -0.060 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 750 -19.009 -1.965 -5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.742 -0.112 -4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.611 -0.827 -3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -14.864 -2.983 -5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -15.122 -1.248 -5.725 1.00 0.00 H new ATOM 657 N GLU A 751 -19.491 1.156 -4.471 1.00 0.00 N ATOM 658 CA GLU A 751 -20.439 2.031 -3.790 1.00 0.00 C ATOM 659 C GLU A 751 -21.774 2.064 -4.529 1.00 0.00 C ATOM 660 O GLU A 751 -22.832 2.188 -3.912 1.00 0.00 O ATOM 661 CB GLU A 751 -19.869 3.447 -3.680 1.00 0.00 C ATOM 662 CG GLU A 751 -19.514 4.067 -5.022 1.00 0.00 C ATOM 663 CD GLU A 751 -18.735 5.359 -4.879 1.00 0.00 C ATOM 664 OE1 GLU A 751 -17.720 5.364 -4.152 1.00 0.00 O ATOM 665 OE2 GLU A 751 -19.142 6.369 -5.493 1.00 0.00 O ATOM 0 H GLU A 751 -18.651 1.625 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.607 1.636 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -20.596 4.084 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -18.978 3.423 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -18.927 3.356 -5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -20.429 4.259 -5.583 1.00 0.00 H new ATOM 672 N GLU A 752 -21.716 1.954 -5.852 1.00 0.00 N ATOM 673 CA GLU A 752 -22.920 1.971 -6.675 1.00 0.00 C ATOM 674 C GLU A 752 -23.686 3.279 -6.492 1.00 0.00 C ATOM 675 O GLU A 752 -24.897 3.277 -6.269 1.00 0.00 O ATOM 676 CB GLU A 752 -23.820 0.784 -6.321 1.00 0.00 C ATOM 677 CG GLU A 752 -23.143 -0.565 -6.500 1.00 0.00 C ATOM 678 CD GLU A 752 -23.996 -1.715 -6.000 1.00 0.00 C ATOM 679 OE1 GLU A 752 -25.174 -1.801 -6.405 1.00 0.00 O ATOM 680 OE2 GLU A 752 -23.484 -2.530 -5.203 1.00 0.00 O ATOM 0 H GLU A 752 -20.848 1.852 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 752 -22.619 1.891 -7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -24.148 0.883 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -24.714 0.818 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -22.917 -0.717 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -22.192 -0.564 -5.967 1.00 0.00 H new ATOM 687 N ASN A 753 -22.971 4.395 -6.590 1.00 0.00 N ATOM 688 CA ASN A 753 -23.583 5.709 -6.437 1.00 0.00 C ATOM 689 C ASN A 753 -24.369 6.094 -7.687 1.00 0.00 C ATOM 690 O ASN A 753 -24.640 7.299 -7.868 1.00 0.00 O ATOM 691 CB ASN A 753 -22.511 6.764 -6.152 1.00 0.00 C ATOM 692 CG ASN A 753 -22.204 6.889 -4.673 1.00 0.00 C ATOM 693 OD1 ASN A 753 -22.435 5.962 -3.897 1.00 0.00 O ATOM 694 ND2 ASN A 753 -21.679 8.042 -4.273 1.00 0.00 N ATOM 695 OXT ASN A 753 -24.708 5.185 -8.474 1.00 0.00 O ATOM 0 H ASN A 753 -21.968 4.415 -6.775 1.00 0.00 H new ATOM 0 HA ASN A 753 -24.273 5.663 -5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -21.599 6.506 -6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -22.844 7.729 -6.534 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -21.451 8.185 -3.289 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -21.504 8.785 -4.950 1.00 0.00 H new TER 702 ASN A 753