USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 498 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 744 SER OG : rot 180:sc= 0 USER MOD Single : A 750 TYR OH : rot 155:sc= -0.922 USER MOD Single : A 758 THR OG1 : rot -102:sc= -0.902! USER MOD Single : A 760 SER OG : rot 175:sc= -1.67 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 766 SER OG : rot 180:sc= -0.0462 USER MOD Single : A 769 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.65) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 776 TYR OH : rot 180:sc= 0 USER MOD Single : A 777 ASN : amide:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 782 MET CE :methyl -112:sc= -7.16! (180deg=-13.2!) USER MOD Single : A 786 MET CE :methyl 171:sc= -6.45! (180deg=-6.56!) USER MOD Single : A 788 MET CE :methyl -152:sc= -0.115 (180deg=-0.996) USER MOD Single : A 793 THR OG1 : rot 150:sc= -1.55! USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.8!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.0136 X(o=-0.014,f=0.49) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 9.006 -1.056 6.804 1.00 0.00 N ATOM 37 CA GLY A 743 7.759 -0.740 6.134 1.00 0.00 C ATOM 38 C GLY A 743 6.783 -0.016 7.039 1.00 0.00 C ATOM 39 O GLY A 743 5.594 -0.335 7.064 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.966 -0.123 5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 743 7.301 -1.661 5.773 1.00 0.00 H new ATOM 43 N SER A 744 7.286 0.962 7.783 1.00 0.00 N ATOM 44 CA SER A 744 6.450 1.735 8.693 1.00 0.00 C ATOM 45 C SER A 744 5.943 3.004 8.011 1.00 0.00 C ATOM 46 O SER A 744 5.906 3.083 6.783 1.00 0.00 O ATOM 47 CB SER A 744 7.234 2.088 9.960 1.00 0.00 C ATOM 48 OG SER A 744 8.375 1.259 10.103 1.00 0.00 O ATOM 0 H SER A 744 8.268 1.238 7.774 1.00 0.00 H new ATOM 0 HA SER A 744 5.589 1.128 8.971 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.543 3.133 9.921 1.00 0.00 H new ATOM 0 HB3 SER A 744 6.590 1.978 10.832 1.00 0.00 H new ATOM 0 HG SER A 744 8.859 1.506 10.919 1.00 0.00 H new ATOM 54 N GLU A 745 5.549 3.993 8.810 1.00 0.00 N ATOM 55 CA GLU A 745 5.043 5.251 8.273 1.00 0.00 C ATOM 56 C GLU A 745 6.006 5.845 7.251 1.00 0.00 C ATOM 57 O GLU A 745 5.590 6.327 6.198 1.00 0.00 O ATOM 58 CB GLU A 745 4.797 6.253 9.400 1.00 0.00 C ATOM 59 CG GLU A 745 3.945 7.437 8.977 1.00 0.00 C ATOM 60 CD GLU A 745 2.783 7.687 9.919 1.00 0.00 C ATOM 61 OE1 GLU A 745 1.812 6.901 9.887 1.00 0.00 O ATOM 62 OE2 GLU A 745 2.844 8.668 10.690 1.00 0.00 O ATOM 0 H GLU A 745 5.571 3.947 9.829 1.00 0.00 H new ATOM 0 HA GLU A 745 4.099 5.040 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.310 5.742 10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 745 5.756 6.618 9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.568 8.330 8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.562 7.263 7.972 1.00 0.00 H new ATOM 69 N ASP A 746 7.296 5.805 7.566 1.00 0.00 N ATOM 70 CA ASP A 746 8.312 6.336 6.665 1.00 0.00 C ATOM 71 C ASP A 746 9.407 5.303 6.409 1.00 0.00 C ATOM 72 O ASP A 746 10.358 5.181 7.181 1.00 0.00 O ATOM 73 CB ASP A 746 8.924 7.612 7.248 1.00 0.00 C ATOM 74 CG ASP A 746 8.303 8.868 6.668 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.081 9.063 6.846 1.00 0.00 O ATOM 76 OD2 ASP A 746 9.037 9.656 6.036 1.00 0.00 O ATOM 0 H ASP A 746 7.661 5.413 8.434 1.00 0.00 H new ATOM 0 HA ASP A 746 7.832 6.572 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 746 8.794 7.612 8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 746 9.997 7.618 7.055 1.00 0.00 H new ATOM 81 N ASP A 747 9.262 4.571 5.311 1.00 0.00 N ATOM 82 CA ASP A 747 10.229 3.550 4.925 1.00 0.00 C ATOM 83 C ASP A 747 10.782 3.832 3.528 1.00 0.00 C ATOM 84 O ASP A 747 10.045 4.275 2.647 1.00 0.00 O ATOM 85 CB ASP A 747 9.579 2.165 4.961 1.00 0.00 C ATOM 86 CG ASP A 747 10.576 1.046 4.740 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.023 0.868 3.586 1.00 0.00 O ATOM 88 OD2 ASP A 747 10.911 0.346 5.719 1.00 0.00 O ATOM 0 H ASP A 747 8.477 4.667 4.667 1.00 0.00 H new ATOM 0 HA ASP A 747 11.055 3.573 5.636 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.088 2.024 5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.804 2.112 4.197 1.00 0.00 H new ATOM 93 N PRO A 748 12.084 3.570 3.303 1.00 0.00 N ATOM 94 CA PRO A 748 12.731 3.789 2.005 1.00 0.00 C ATOM 95 C PRO A 748 11.840 3.452 0.811 1.00 0.00 C ATOM 96 O PRO A 748 12.002 4.024 -0.266 1.00 0.00 O ATOM 97 CB PRO A 748 13.919 2.836 2.072 1.00 0.00 C ATOM 98 CG PRO A 748 14.314 2.847 3.508 1.00 0.00 C ATOM 99 CD PRO A 748 13.040 3.033 4.297 1.00 0.00 C ATOM 0 HA PRO A 748 12.989 4.837 1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.645 1.834 1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.735 3.171 1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.809 1.915 3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.018 3.654 3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.690 2.091 4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.182 3.723 5.129 1.00 0.00 H new ATOM 107 N LEU A 749 10.912 2.518 0.993 1.00 0.00 N ATOM 108 CA LEU A 749 10.028 2.121 -0.096 1.00 0.00 C ATOM 109 C LEU A 749 8.553 2.362 0.231 1.00 0.00 C ATOM 110 O LEU A 749 7.717 2.395 -0.675 1.00 0.00 O ATOM 111 CB LEU A 749 10.256 0.648 -0.431 1.00 0.00 C ATOM 112 CG LEU A 749 11.640 0.324 -0.993 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.932 -1.164 -0.883 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.743 0.783 -2.438 1.00 0.00 C ATOM 0 H LEU A 749 10.754 2.027 1.873 1.00 0.00 H new ATOM 0 HA LEU A 749 10.270 2.742 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.098 0.056 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.503 0.334 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 749 12.384 0.860 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.922 -1.371 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.899 -1.465 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.185 -1.724 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.734 0.546 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.988 0.273 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.581 1.860 -2.490 1.00 0.00 H new ATOM 126 N TYR A 750 8.223 2.543 1.510 1.00 0.00 N ATOM 127 CA TYR A 750 6.830 2.779 1.894 1.00 0.00 C ATOM 128 C TYR A 750 6.248 3.942 1.111 1.00 0.00 C ATOM 129 O TYR A 750 5.156 3.843 0.565 1.00 0.00 O ATOM 130 CB TYR A 750 6.699 3.049 3.393 1.00 0.00 C ATOM 131 CG TYR A 750 5.289 3.398 3.830 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.397 2.404 4.206 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.854 4.720 3.876 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.115 2.711 4.619 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.574 5.034 4.288 1.00 0.00 C ATOM 136 CZ TYR A 750 2.710 4.026 4.661 1.00 0.00 C ATOM 137 OH TYR A 750 1.435 4.337 5.073 1.00 0.00 O ATOM 0 H TYR A 750 8.886 2.531 2.285 1.00 0.00 H new ATOM 0 HA TYR A 750 6.271 1.873 1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.032 2.168 3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.367 3.866 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.711 1.371 4.175 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.528 5.512 3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.434 1.924 4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.251 6.064 4.318 1.00 0.00 H new ATOM 0 HH TYR A 750 1.418 5.252 5.423 1.00 0.00 H new ATOM 147 N ASP A 751 6.986 5.044 1.046 1.00 0.00 N ATOM 148 CA ASP A 751 6.525 6.211 0.307 1.00 0.00 C ATOM 149 C ASP A 751 6.158 5.805 -1.114 1.00 0.00 C ATOM 150 O ASP A 751 5.181 6.294 -1.683 1.00 0.00 O ATOM 151 CB ASP A 751 7.608 7.292 0.282 1.00 0.00 C ATOM 152 CG ASP A 751 7.135 8.573 -0.375 1.00 0.00 C ATOM 153 OD1 ASP A 751 6.939 8.570 -1.609 1.00 0.00 O ATOM 154 OD2 ASP A 751 6.961 9.580 0.343 1.00 0.00 O ATOM 0 H ASP A 751 7.897 5.153 1.492 1.00 0.00 H new ATOM 0 HA ASP A 751 5.644 6.618 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 751 7.926 7.507 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.481 6.915 -0.251 1.00 0.00 H new ATOM 159 N GLU A 752 6.939 4.885 -1.671 1.00 0.00 N ATOM 160 CA GLU A 752 6.694 4.387 -3.013 1.00 0.00 C ATOM 161 C GLU A 752 5.444 3.512 -3.032 1.00 0.00 C ATOM 162 O GLU A 752 4.641 3.578 -3.961 1.00 0.00 O ATOM 163 CB GLU A 752 7.906 3.602 -3.511 1.00 0.00 C ATOM 164 CG GLU A 752 8.106 3.664 -5.016 1.00 0.00 C ATOM 165 CD GLU A 752 9.340 4.453 -5.408 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.457 3.911 -5.276 1.00 0.00 O ATOM 167 OE2 GLU A 752 9.190 5.612 -5.849 1.00 0.00 O ATOM 0 H GLU A 752 7.748 4.470 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 752 6.531 5.234 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.801 3.984 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.799 2.559 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.187 2.651 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 752 7.228 4.117 -5.477 1.00 0.00 H new ATOM 174 N ALA A 753 5.285 2.701 -1.989 1.00 0.00 N ATOM 175 CA ALA A 753 4.127 1.819 -1.870 1.00 0.00 C ATOM 176 C ALA A 753 2.853 2.638 -1.755 1.00 0.00 C ATOM 177 O ALA A 753 1.913 2.467 -2.530 1.00 0.00 O ATOM 178 CB ALA A 753 4.274 0.910 -0.659 1.00 0.00 C ATOM 0 H ALA A 753 5.944 2.636 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 753 4.069 1.201 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.403 0.259 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.173 0.303 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.352 1.516 0.244 1.00 0.00 H new ATOM 184 N VAL A 754 2.842 3.542 -0.784 1.00 0.00 N ATOM 185 CA VAL A 754 1.706 4.414 -0.554 1.00 0.00 C ATOM 186 C VAL A 754 1.380 5.190 -1.822 1.00 0.00 C ATOM 187 O VAL A 754 0.214 5.389 -2.162 1.00 0.00 O ATOM 188 CB VAL A 754 2.014 5.379 0.608 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.153 6.631 0.560 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.839 4.655 1.927 1.00 0.00 C ATOM 0 H VAL A 754 3.618 3.688 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 754 0.839 3.811 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 754 3.048 5.708 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.407 7.279 1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.333 7.161 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.101 6.352 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.057 5.338 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.812 4.299 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.522 3.806 1.970 1.00 0.00 H new ATOM 200 N ARG A 755 2.424 5.598 -2.530 1.00 0.00 N ATOM 201 CA ARG A 755 2.260 6.321 -3.779 1.00 0.00 C ATOM 202 C ARG A 755 1.702 5.385 -4.843 1.00 0.00 C ATOM 203 O ARG A 755 0.888 5.780 -5.683 1.00 0.00 O ATOM 204 CB ARG A 755 3.609 6.883 -4.231 1.00 0.00 C ATOM 205 CG ARG A 755 3.520 7.784 -5.449 1.00 0.00 C ATOM 206 CD ARG A 755 4.894 8.288 -5.859 1.00 0.00 C ATOM 207 NE ARG A 755 4.854 9.025 -7.118 1.00 0.00 N ATOM 208 CZ ARG A 755 4.348 10.249 -7.243 1.00 0.00 C ATOM 209 NH1 ARG A 755 3.840 10.876 -6.189 1.00 0.00 N ATOM 210 NH2 ARG A 755 4.352 10.850 -8.426 1.00 0.00 N ATOM 0 H ARG A 755 3.394 5.439 -2.258 1.00 0.00 H new ATOM 0 HA ARG A 755 1.564 7.146 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.053 7.443 -3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.282 6.054 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.068 7.238 -6.277 1.00 0.00 H new ATOM 0 HG3 ARG A 755 2.869 8.631 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 755 5.293 8.932 -5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.576 7.443 -5.955 1.00 0.00 H new ATOM 0 HE ARG A 755 5.236 8.576 -7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 755 3.836 10.419 -5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 755 3.454 11.814 -6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 755 4.743 10.374 -9.239 1.00 0.00 H new ATOM 0 HH22 ARG A 755 3.964 11.788 -8.523 1.00 0.00 H new ATOM 224 N PHE A 756 2.150 4.136 -4.790 1.00 0.00 N ATOM 225 CA PHE A 756 1.719 3.115 -5.732 1.00 0.00 C ATOM 226 C PHE A 756 0.242 2.778 -5.543 1.00 0.00 C ATOM 227 O PHE A 756 -0.510 2.692 -6.514 1.00 0.00 O ATOM 228 CB PHE A 756 2.580 1.858 -5.557 1.00 0.00 C ATOM 229 CG PHE A 756 1.895 0.584 -5.956 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.864 0.186 -7.280 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.283 -0.212 -5.005 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.235 -0.984 -7.650 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.652 -1.383 -5.366 1.00 0.00 C ATOM 234 CZ PHE A 756 0.628 -1.771 -6.692 1.00 0.00 C ATOM 0 H PHE A 756 2.819 3.805 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 756 1.844 3.502 -6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.489 1.969 -6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.885 1.782 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.338 0.799 -8.033 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.300 0.087 -3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.217 -1.284 -8.687 1.00 0.00 H new ATOM 0 HE2 PHE A 756 0.177 -1.996 -4.614 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.135 -2.688 -6.978 1.00 0.00 H new ATOM 244 N VAL A 757 -0.171 2.587 -4.294 1.00 0.00 N ATOM 245 CA VAL A 757 -1.554 2.262 -4.004 1.00 0.00 C ATOM 246 C VAL A 757 -2.454 3.462 -4.260 1.00 0.00 C ATOM 247 O VAL A 757 -3.512 3.339 -4.876 1.00 0.00 O ATOM 248 CB VAL A 757 -1.727 1.802 -2.551 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.155 1.346 -2.311 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.740 0.692 -2.222 1.00 0.00 C ATOM 0 H VAL A 757 0.432 2.652 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.840 1.446 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.520 2.644 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.264 1.022 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.839 2.172 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.389 0.516 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.877 0.378 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.912 -0.156 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.278 1.058 -2.358 1.00 0.00 H new ATOM 260 N THR A 758 -2.021 4.623 -3.786 1.00 0.00 N ATOM 261 CA THR A 758 -2.779 5.853 -3.964 1.00 0.00 C ATOM 262 C THR A 758 -3.103 6.082 -5.438 1.00 0.00 C ATOM 263 O THR A 758 -4.227 6.444 -5.788 1.00 0.00 O ATOM 264 CB THR A 758 -1.987 7.041 -3.421 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.649 7.006 -3.883 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.952 7.100 -1.911 1.00 0.00 C ATOM 0 H THR A 758 -1.146 4.738 -3.274 1.00 0.00 H new ATOM 0 HA THR A 758 -3.714 5.759 -3.412 1.00 0.00 H new ATOM 0 HB THR A 758 -2.508 7.925 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.066 6.666 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.373 7.968 -1.594 1.00 0.00 H new ATOM 0 HG22 THR A 758 -2.969 7.182 -1.526 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.489 6.193 -1.522 1.00 0.00 H new ATOM 274 N GLU A 759 -2.111 5.870 -6.299 1.00 0.00 N ATOM 275 CA GLU A 759 -2.292 6.057 -7.734 1.00 0.00 C ATOM 276 C GLU A 759 -3.036 4.876 -8.360 1.00 0.00 C ATOM 277 O GLU A 759 -3.826 5.051 -9.287 1.00 0.00 O ATOM 278 CB GLU A 759 -0.935 6.245 -8.419 1.00 0.00 C ATOM 279 CG GLU A 759 -0.757 7.622 -9.038 1.00 0.00 C ATOM 280 CD GLU A 759 0.667 7.878 -9.493 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.592 7.725 -8.667 1.00 0.00 O ATOM 282 OE2 GLU A 759 0.858 8.234 -10.674 1.00 0.00 O ATOM 0 H GLU A 759 -1.175 5.569 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.895 6.953 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.142 6.077 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.820 5.488 -9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.430 7.723 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -1.045 8.382 -8.312 1.00 0.00 H new ATOM 289 N SER A 760 -2.775 3.676 -7.851 1.00 0.00 N ATOM 290 CA SER A 760 -3.418 2.470 -8.368 1.00 0.00 C ATOM 291 C SER A 760 -4.847 2.327 -7.839 1.00 0.00 C ATOM 292 O SER A 760 -5.633 1.538 -8.365 1.00 0.00 O ATOM 293 CB SER A 760 -2.600 1.232 -7.992 1.00 0.00 C ATOM 294 OG SER A 760 -2.876 0.821 -6.664 1.00 0.00 O ATOM 0 H SER A 760 -2.124 3.511 -7.083 1.00 0.00 H new ATOM 0 HA SER A 760 -3.465 2.558 -9.453 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.827 0.419 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.537 1.450 -8.095 1.00 0.00 H new ATOM 0 HG SER A 760 -2.403 -0.017 -6.476 1.00 0.00 H new ATOM 300 N ARG A 761 -5.178 3.089 -6.798 1.00 0.00 N ATOM 301 CA ARG A 761 -6.510 3.042 -6.201 1.00 0.00 C ATOM 302 C ARG A 761 -6.804 1.664 -5.602 1.00 0.00 C ATOM 303 O ARG A 761 -7.961 1.308 -5.382 1.00 0.00 O ATOM 304 CB ARG A 761 -7.578 3.399 -7.239 1.00 0.00 C ATOM 305 CG ARG A 761 -7.586 4.870 -7.624 1.00 0.00 C ATOM 306 CD ARG A 761 -8.092 5.743 -6.485 1.00 0.00 C ATOM 307 NE ARG A 761 -9.527 5.578 -6.265 1.00 0.00 N ATOM 308 CZ ARG A 761 -10.326 6.538 -5.798 1.00 0.00 C ATOM 309 NH1 ARG A 761 -9.837 7.736 -5.499 1.00 0.00 N ATOM 310 NH2 ARG A 761 -11.619 6.298 -5.628 1.00 0.00 N ATOM 0 H ARG A 761 -4.540 3.747 -6.350 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.536 3.777 -5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.417 2.799 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.559 3.130 -6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.578 5.180 -7.901 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -8.216 5.014 -8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -7.554 5.494 -5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -7.877 6.788 -6.706 1.00 0.00 H new ATOM 0 HE ARG A 761 -9.943 4.672 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.843 7.927 -5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -10.455 8.465 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -12.001 5.380 -5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -12.231 7.032 -5.271 1.00 0.00 H new ATOM 324 N ARG A 762 -5.749 0.897 -5.337 1.00 0.00 N ATOM 325 CA ARG A 762 -5.893 -0.438 -4.761 1.00 0.00 C ATOM 326 C ARG A 762 -4.648 -0.814 -3.960 1.00 0.00 C ATOM 327 O ARG A 762 -3.530 -0.454 -4.332 1.00 0.00 O ATOM 328 CB ARG A 762 -6.147 -1.465 -5.867 1.00 0.00 C ATOM 329 CG ARG A 762 -4.949 -1.707 -6.772 1.00 0.00 C ATOM 330 CD ARG A 762 -5.381 -2.115 -8.172 1.00 0.00 C ATOM 331 NE ARG A 762 -4.322 -1.904 -9.157 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.311 -2.465 -10.365 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.295 -3.274 -10.739 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.312 -2.218 -11.202 1.00 0.00 N ATOM 0 H ARG A 762 -4.784 1.177 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.747 -0.434 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.442 -2.410 -5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -6.987 -1.129 -6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.344 -0.802 -6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.319 -2.486 -6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.670 -3.166 -8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.263 -1.543 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 762 -3.546 -1.292 -8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.066 -3.469 -10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.280 -3.700 -11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -2.552 -1.598 -10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.304 -2.648 -12.127 1.00 0.00 H new ATOM 348 N ALA A 763 -4.840 -1.530 -2.852 1.00 0.00 N ATOM 349 CA ALA A 763 -3.726 -1.933 -2.006 1.00 0.00 C ATOM 350 C ALA A 763 -3.548 -3.443 -1.968 1.00 0.00 C ATOM 351 O ALA A 763 -4.096 -4.124 -1.102 1.00 0.00 O ATOM 352 CB ALA A 763 -3.912 -1.389 -0.597 1.00 0.00 C ATOM 0 H ALA A 763 -5.755 -1.840 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.820 -1.511 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.072 -1.697 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -3.959 -0.301 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -4.839 -1.779 -0.176 1.00 0.00 H new ATOM 358 N SER A 764 -2.747 -3.952 -2.892 1.00 0.00 N ATOM 359 CA SER A 764 -2.455 -5.376 -2.950 1.00 0.00 C ATOM 360 C SER A 764 -0.955 -5.579 -2.812 1.00 0.00 C ATOM 361 O SER A 764 -0.177 -5.101 -3.634 1.00 0.00 O ATOM 362 CB SER A 764 -2.957 -5.971 -4.267 1.00 0.00 C ATOM 363 OG SER A 764 -4.285 -5.557 -4.543 1.00 0.00 O ATOM 0 H SER A 764 -2.286 -3.398 -3.614 1.00 0.00 H new ATOM 0 HA SER A 764 -2.967 -5.886 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.301 -5.664 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.915 -7.059 -4.217 1.00 0.00 H new ATOM 0 HG SER A 764 -4.581 -5.950 -5.391 1.00 0.00 H new ATOM 369 N ILE A 765 -0.553 -6.279 -1.760 1.00 0.00 N ATOM 370 CA ILE A 765 0.859 -6.524 -1.507 1.00 0.00 C ATOM 371 C ILE A 765 1.558 -7.086 -2.738 1.00 0.00 C ATOM 372 O ILE A 765 2.640 -6.633 -3.109 1.00 0.00 O ATOM 373 CB ILE A 765 1.068 -7.487 -0.327 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.217 -7.065 0.874 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.536 -7.527 0.047 1.00 0.00 C ATOM 376 CD1 ILE A 765 0.083 -8.145 1.926 1.00 0.00 C ATOM 0 H ILE A 765 -1.184 -6.686 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 765 1.297 -5.558 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 765 0.752 -8.486 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.658 -6.178 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.776 -6.783 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.680 -8.211 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 765 3.120 -7.871 -0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.866 -6.528 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.532 -7.778 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.386 -9.025 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 765 1.071 -8.411 2.303 1.00 0.00 H new ATOM 388 N SER A 766 0.932 -8.069 -3.372 1.00 0.00 N ATOM 389 CA SER A 766 1.496 -8.682 -4.566 1.00 0.00 C ATOM 390 C SER A 766 1.710 -7.634 -5.650 1.00 0.00 C ATOM 391 O SER A 766 2.712 -7.647 -6.364 1.00 0.00 O ATOM 392 CB SER A 766 0.577 -9.790 -5.078 1.00 0.00 C ATOM 393 OG SER A 766 -0.470 -9.262 -5.876 1.00 0.00 O ATOM 0 H SER A 766 0.035 -8.458 -3.080 1.00 0.00 H new ATOM 0 HA SER A 766 2.461 -9.119 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 766 1.156 -10.506 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 766 0.155 -10.335 -4.234 1.00 0.00 H new ATOM 0 HG SER A 766 -1.041 -9.993 -6.191 1.00 0.00 H new ATOM 399 N ALA A 767 0.760 -6.716 -5.755 1.00 0.00 N ATOM 400 CA ALA A 767 0.839 -5.649 -6.736 1.00 0.00 C ATOM 401 C ALA A 767 1.900 -4.633 -6.334 1.00 0.00 C ATOM 402 O ALA A 767 2.605 -4.089 -7.184 1.00 0.00 O ATOM 403 CB ALA A 767 -0.519 -4.986 -6.892 1.00 0.00 C ATOM 0 H ALA A 767 -0.075 -6.691 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 767 1.128 -6.072 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.451 -4.187 -7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.249 -5.725 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.833 -4.570 -5.935 1.00 0.00 H new ATOM 409 N VAL A 768 2.023 -4.395 -5.030 1.00 0.00 N ATOM 410 CA VAL A 768 3.017 -3.458 -4.526 1.00 0.00 C ATOM 411 C VAL A 768 4.418 -3.991 -4.770 1.00 0.00 C ATOM 412 O VAL A 768 5.285 -3.272 -5.248 1.00 0.00 O ATOM 413 CB VAL A 768 2.859 -3.181 -3.018 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.840 -2.111 -2.567 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.444 -2.756 -2.687 1.00 0.00 C ATOM 0 H VAL A 768 1.450 -4.836 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 768 2.860 -2.524 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 768 3.074 -4.107 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.714 -1.928 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.859 -2.447 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.651 -1.189 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.362 -2.567 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.200 -1.846 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.751 -3.548 -2.970 1.00 0.00 H new ATOM 425 N GLN A 769 4.639 -5.259 -4.435 1.00 0.00 N ATOM 426 CA GLN A 769 5.946 -5.865 -4.625 1.00 0.00 C ATOM 427 C GLN A 769 6.283 -5.956 -6.103 1.00 0.00 C ATOM 428 O GLN A 769 7.444 -5.823 -6.496 1.00 0.00 O ATOM 429 CB GLN A 769 6.011 -7.250 -3.973 1.00 0.00 C ATOM 430 CG GLN A 769 5.040 -8.256 -4.568 1.00 0.00 C ATOM 431 CD GLN A 769 5.718 -9.542 -4.999 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.684 -9.912 -6.174 1.00 0.00 O ATOM 433 NE2 GLN A 769 6.335 -10.233 -4.050 1.00 0.00 N ATOM 0 H GLN A 769 3.935 -5.879 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 769 6.686 -5.228 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.025 -7.638 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.807 -7.149 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.267 -8.486 -3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.541 -7.808 -5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 769 6.338 -9.890 -3.090 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.806 -11.108 -4.281 1.00 0.00 H new ATOM 442 N ARG A 770 5.258 -6.175 -6.916 1.00 0.00 N ATOM 443 CA ARG A 770 5.428 -6.279 -8.355 1.00 0.00 C ATOM 444 C ARG A 770 5.768 -4.919 -8.966 1.00 0.00 C ATOM 445 O ARG A 770 6.623 -4.820 -9.846 1.00 0.00 O ATOM 446 CB ARG A 770 4.146 -6.837 -8.980 1.00 0.00 C ATOM 447 CG ARG A 770 4.245 -8.306 -9.354 1.00 0.00 C ATOM 448 CD ARG A 770 3.065 -8.745 -10.205 1.00 0.00 C ATOM 449 NE ARG A 770 3.004 -10.198 -10.350 1.00 0.00 N ATOM 450 CZ ARG A 770 3.745 -10.889 -11.213 1.00 0.00 C ATOM 451 NH1 ARG A 770 4.597 -10.265 -12.017 1.00 0.00 N ATOM 452 NH2 ARG A 770 3.631 -12.208 -11.274 1.00 0.00 N ATOM 0 H ARG A 770 4.295 -6.284 -6.598 1.00 0.00 H new ATOM 0 HA ARG A 770 6.257 -6.955 -8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.322 -6.703 -8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.904 -6.259 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 770 5.173 -8.482 -9.898 1.00 0.00 H new ATOM 0 HG3 ARG A 770 4.287 -8.911 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.140 -8.387 -9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.138 -8.285 -11.191 1.00 0.00 H new ATOM 0 HE ARG A 770 2.355 -10.713 -9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 770 4.687 -9.250 -11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 770 5.162 -10.801 -12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.976 -12.692 -10.660 1.00 0.00 H new ATOM 0 HH22 ARG A 770 4.198 -12.739 -11.935 1.00 0.00 H new ATOM 466 N LYS A 771 5.084 -3.877 -8.502 1.00 0.00 N ATOM 467 CA LYS A 771 5.303 -2.524 -9.009 1.00 0.00 C ATOM 468 C LYS A 771 6.558 -1.882 -8.413 1.00 0.00 C ATOM 469 O LYS A 771 7.276 -1.154 -9.098 1.00 0.00 O ATOM 470 CB LYS A 771 4.075 -1.654 -8.732 1.00 0.00 C ATOM 471 CG LYS A 771 3.659 -0.806 -9.920 1.00 0.00 C ATOM 472 CD LYS A 771 4.085 0.642 -9.748 1.00 0.00 C ATOM 473 CE LYS A 771 3.073 1.594 -10.364 1.00 0.00 C ATOM 474 NZ LYS A 771 3.371 3.014 -10.034 1.00 0.00 N ATOM 0 H LYS A 771 4.372 -3.943 -7.775 1.00 0.00 H new ATOM 0 HA LYS A 771 5.458 -2.597 -10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.242 -2.295 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.284 -1.001 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.102 -1.211 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.577 -0.856 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 771 4.199 0.866 -8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 771 5.059 0.794 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 771 3.068 1.467 -11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.074 1.341 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 2.657 3.630 -10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 3.351 3.142 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 4.314 3.264 -10.396 1.00 0.00 H new ATOM 488 N LEU A 772 6.818 -2.155 -7.140 1.00 0.00 N ATOM 489 CA LEU A 772 7.988 -1.603 -6.458 1.00 0.00 C ATOM 490 C LEU A 772 9.207 -2.508 -6.592 1.00 0.00 C ATOM 491 O LEU A 772 10.316 -2.117 -6.227 1.00 0.00 O ATOM 492 CB LEU A 772 7.696 -1.375 -4.972 1.00 0.00 C ATOM 493 CG LEU A 772 7.506 0.087 -4.561 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.035 0.456 -4.507 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.166 0.338 -3.214 1.00 0.00 C ATOM 0 H LEU A 772 6.235 -2.756 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 772 8.209 -0.651 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.797 -1.930 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.515 -1.796 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 772 7.980 0.717 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.932 1.500 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.587 0.311 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.527 -0.178 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.026 1.381 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.714 -0.308 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.232 0.121 -3.285 1.00 0.00 H new ATOM 507 N LYS A 773 9.004 -3.723 -7.088 1.00 0.00 N ATOM 508 CA LYS A 773 10.102 -4.666 -7.226 1.00 0.00 C ATOM 509 C LYS A 773 10.688 -4.970 -5.854 1.00 0.00 C ATOM 510 O LYS A 773 11.904 -5.071 -5.687 1.00 0.00 O ATOM 511 CB LYS A 773 11.183 -4.106 -8.156 1.00 0.00 C ATOM 512 CG LYS A 773 10.785 -4.107 -9.624 1.00 0.00 C ATOM 513 CD LYS A 773 11.643 -3.149 -10.437 1.00 0.00 C ATOM 514 CE LYS A 773 12.606 -3.895 -11.348 1.00 0.00 C ATOM 515 NZ LYS A 773 12.142 -3.906 -12.764 1.00 0.00 N ATOM 0 H LYS A 773 8.098 -4.074 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 773 9.722 -5.588 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.418 -3.086 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 773 12.094 -4.692 -8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.882 -5.115 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.736 -3.826 -9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 773 11.001 -2.504 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 773 12.205 -2.502 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.590 -3.430 -11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.718 -4.920 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 12.827 -4.424 -13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 11.214 -4.373 -12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 12.060 -2.929 -13.110 1.00 0.00 H new ATOM 529 N ILE A 774 9.802 -5.113 -4.870 1.00 0.00 N ATOM 530 CA ILE A 774 10.212 -5.403 -3.500 1.00 0.00 C ATOM 531 C ILE A 774 9.782 -6.810 -3.104 1.00 0.00 C ATOM 532 O ILE A 774 9.261 -7.563 -3.928 1.00 0.00 O ATOM 533 CB ILE A 774 9.614 -4.394 -2.494 1.00 0.00 C ATOM 534 CG1 ILE A 774 8.095 -4.328 -2.635 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.224 -3.020 -2.696 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.424 -3.375 -1.665 1.00 0.00 C ATOM 0 H ILE A 774 8.793 -5.032 -4.998 1.00 0.00 H new ATOM 0 HA ILE A 774 11.298 -5.321 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 774 9.850 -4.735 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.848 -4.027 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.684 -5.327 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.792 -2.321 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.302 -3.075 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 774 10.017 -2.675 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.347 -3.386 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.638 -3.686 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.805 -2.366 -1.824 1.00 0.00 H new ATOM 548 N GLY A 775 9.994 -7.162 -1.843 1.00 0.00 N ATOM 549 CA GLY A 775 9.613 -8.479 -1.371 1.00 0.00 C ATOM 550 C GLY A 775 8.190 -8.511 -0.854 1.00 0.00 C ATOM 551 O GLY A 775 7.684 -7.507 -0.356 1.00 0.00 O ATOM 0 H GLY A 775 10.422 -6.560 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.719 -9.199 -2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 775 10.293 -8.790 -0.578 1.00 0.00 H new ATOM 555 N TYR A 776 7.537 -9.663 -0.974 1.00 0.00 N ATOM 556 CA TYR A 776 6.159 -9.809 -0.514 1.00 0.00 C ATOM 557 C TYR A 776 6.029 -9.390 0.947 1.00 0.00 C ATOM 558 O TYR A 776 5.109 -8.660 1.316 1.00 0.00 O ATOM 559 CB TYR A 776 5.687 -11.254 -0.686 1.00 0.00 C ATOM 560 CG TYR A 776 4.275 -11.488 -0.199 1.00 0.00 C ATOM 561 CD1 TYR A 776 4.007 -11.648 1.155 1.00 0.00 C ATOM 562 CD2 TYR A 776 3.212 -11.545 -1.090 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.718 -11.860 1.607 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.920 -11.755 -0.646 1.00 0.00 C ATOM 565 CZ TYR A 776 1.679 -11.912 0.702 1.00 0.00 C ATOM 566 OH TYR A 776 0.394 -12.122 1.148 1.00 0.00 O ATOM 0 H TYR A 776 7.938 -10.507 -1.384 1.00 0.00 H new ATOM 0 HA TYR A 776 5.530 -9.157 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.749 -11.525 -1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 776 6.364 -11.916 -0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.819 -11.606 1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 776 3.397 -11.423 -2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.526 -11.984 2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 776 1.103 -11.796 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.220 -12.130 0.384 1.00 0.00 H new ATOM 576 N ASN A 777 6.959 -9.858 1.772 1.00 0.00 N ATOM 577 CA ASN A 777 6.953 -9.534 3.193 1.00 0.00 C ATOM 578 C ASN A 777 7.136 -8.035 3.409 1.00 0.00 C ATOM 579 O ASN A 777 6.400 -7.414 4.173 1.00 0.00 O ATOM 580 CB ASN A 777 8.057 -10.305 3.918 1.00 0.00 C ATOM 581 CG ASN A 777 7.655 -11.734 4.231 1.00 0.00 C ATOM 582 OD1 ASN A 777 7.447 -12.093 5.391 1.00 0.00 O ATOM 583 ND2 ASN A 777 7.544 -12.558 3.196 1.00 0.00 N ATOM 0 H ASN A 777 7.727 -10.463 1.481 1.00 0.00 H new ATOM 0 HA ASN A 777 5.987 -9.827 3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.957 -10.310 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 777 8.308 -9.790 4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 777 7.277 -13.531 3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 777 7.726 -12.218 2.252 1.00 0.00 H new ATOM 590 N ARG A 778 8.120 -7.458 2.724 1.00 0.00 N ATOM 591 CA ARG A 778 8.395 -6.034 2.839 1.00 0.00 C ATOM 592 C ARG A 778 7.180 -5.213 2.418 1.00 0.00 C ATOM 593 O ARG A 778 6.749 -4.312 3.137 1.00 0.00 O ATOM 594 CB ARG A 778 9.614 -5.677 1.986 1.00 0.00 C ATOM 595 CG ARG A 778 9.816 -4.186 1.777 1.00 0.00 C ATOM 596 CD ARG A 778 11.027 -3.916 0.901 1.00 0.00 C ATOM 597 NE ARG A 778 11.895 -2.882 1.464 1.00 0.00 N ATOM 598 CZ ARG A 778 13.119 -3.107 1.938 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.635 -4.331 1.935 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.834 -2.098 2.417 1.00 0.00 N ATOM 0 H ARG A 778 8.738 -7.957 2.084 1.00 0.00 H new ATOM 0 HA ARG A 778 8.610 -5.797 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.506 -6.090 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.515 -6.158 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.927 -3.756 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.944 -3.694 2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.596 -4.837 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.695 -3.609 -0.091 1.00 0.00 H new ATOM 0 HE ARG A 778 11.540 -1.926 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.092 -5.112 1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.574 -4.490 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.446 -1.155 2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.772 -2.265 2.781 1.00 0.00 H new ATOM 614 N ALA A 779 6.629 -5.538 1.257 1.00 0.00 N ATOM 615 CA ALA A 779 5.458 -4.840 0.745 1.00 0.00 C ATOM 616 C ALA A 779 4.309 -4.915 1.746 1.00 0.00 C ATOM 617 O ALA A 779 3.706 -3.899 2.091 1.00 0.00 O ATOM 618 CB ALA A 779 5.041 -5.418 -0.598 1.00 0.00 C ATOM 0 H ALA A 779 6.975 -6.282 0.651 1.00 0.00 H new ATOM 0 HA ALA A 779 5.716 -3.791 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.164 -4.885 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.859 -5.309 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.801 -6.475 -0.481 1.00 0.00 H new ATOM 624 N ALA A 780 4.019 -6.125 2.217 1.00 0.00 N ATOM 625 CA ALA A 780 2.951 -6.331 3.187 1.00 0.00 C ATOM 626 C ALA A 780 3.174 -5.467 4.420 1.00 0.00 C ATOM 627 O ALA A 780 2.232 -4.885 4.955 1.00 0.00 O ATOM 628 CB ALA A 780 2.868 -7.795 3.583 1.00 0.00 C ATOM 0 H ALA A 780 4.509 -6.976 1.942 1.00 0.00 H new ATOM 0 HA ALA A 780 2.008 -6.040 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 780 2.065 -7.931 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.665 -8.400 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.814 -8.106 4.026 1.00 0.00 H new ATOM 634 N ARG A 781 4.428 -5.377 4.861 1.00 0.00 N ATOM 635 CA ARG A 781 4.764 -4.570 6.029 1.00 0.00 C ATOM 636 C ARG A 781 4.353 -3.119 5.794 1.00 0.00 C ATOM 637 O ARG A 781 3.692 -2.503 6.632 1.00 0.00 O ATOM 638 CB ARG A 781 6.263 -4.655 6.328 1.00 0.00 C ATOM 639 CG ARG A 781 6.726 -6.047 6.737 1.00 0.00 C ATOM 640 CD ARG A 781 6.654 -6.243 8.244 1.00 0.00 C ATOM 641 NE ARG A 781 7.927 -6.702 8.795 1.00 0.00 N ATOM 642 CZ ARG A 781 8.046 -7.345 9.955 1.00 0.00 C ATOM 643 NH1 ARG A 781 6.973 -7.602 10.692 1.00 0.00 N ATOM 644 NH2 ARG A 781 9.241 -7.731 10.381 1.00 0.00 N ATOM 0 H ARG A 781 5.222 -5.850 4.429 1.00 0.00 H new ATOM 0 HA ARG A 781 4.220 -4.958 6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.819 -4.341 5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.506 -3.952 7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 781 6.108 -6.796 6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 781 7.750 -6.204 6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 781 6.370 -5.304 8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 781 5.874 -6.968 8.479 1.00 0.00 H new ATOM 0 HE ARG A 781 8.775 -6.519 8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 781 6.051 -7.307 10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 781 7.070 -8.095 11.580 1.00 0.00 H new ATOM 0 HH21 ARG A 781 10.070 -7.535 9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 781 9.331 -8.223 11.270 1.00 0.00 H new ATOM 658 N MET A 782 4.722 -2.591 4.632 1.00 0.00 N ATOM 659 CA MET A 782 4.367 -1.228 4.265 1.00 0.00 C ATOM 660 C MET A 782 2.853 -1.108 4.175 1.00 0.00 C ATOM 661 O MET A 782 2.257 -0.153 4.670 1.00 0.00 O ATOM 662 CB MET A 782 5.001 -0.863 2.925 1.00 0.00 C ATOM 663 CG MET A 782 6.518 -0.799 2.967 1.00 0.00 C ATOM 664 SD MET A 782 7.286 -1.754 1.646 1.00 0.00 S ATOM 665 CE MET A 782 7.115 -0.618 0.273 1.00 0.00 C ATOM 0 H MET A 782 5.268 -3.088 3.928 1.00 0.00 H new ATOM 0 HA MET A 782 4.740 -0.541 5.025 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.697 -1.596 2.177 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.614 0.103 2.601 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.837 0.241 2.892 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.868 -1.171 3.930 1.00 0.00 H new ATOM 0 HE1 MET A 782 6.409 -1.025 -0.451 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.748 0.341 0.638 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.084 -0.477 -0.205 1.00 0.00 H new ATOM 675 N ILE A 783 2.242 -2.110 3.552 1.00 0.00 N ATOM 676 CA ILE A 783 0.795 -2.163 3.402 1.00 0.00 C ATOM 677 C ILE A 783 0.137 -2.102 4.782 1.00 0.00 C ATOM 678 O ILE A 783 -0.855 -1.395 4.986 1.00 0.00 O ATOM 679 CB ILE A 783 0.381 -3.450 2.637 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.782 -3.336 1.159 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.107 -3.734 2.760 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.112 -2.411 0.352 1.00 0.00 C ATOM 0 H ILE A 783 2.733 -2.903 3.140 1.00 0.00 H new ATOM 0 HA ILE A 783 0.456 -1.307 2.819 1.00 0.00 H new ATOM 0 HB ILE A 783 0.909 -4.288 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.810 -2.978 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.763 -4.329 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.351 -4.643 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.367 -3.865 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.672 -2.898 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.233 -2.382 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.138 -2.779 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.074 -1.407 0.776 1.00 0.00 H new ATOM 694 N GLU A 784 0.728 -2.807 5.744 1.00 0.00 N ATOM 695 CA GLU A 784 0.228 -2.789 7.111 1.00 0.00 C ATOM 696 C GLU A 784 0.269 -1.358 7.624 1.00 0.00 C ATOM 697 O GLU A 784 -0.693 -0.851 8.206 1.00 0.00 O ATOM 698 CB GLU A 784 1.085 -3.688 8.004 1.00 0.00 C ATOM 699 CG GLU A 784 0.380 -4.136 9.273 1.00 0.00 C ATOM 700 CD GLU A 784 0.770 -3.308 10.483 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.983 -3.156 10.733 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.141 -2.813 11.183 1.00 0.00 O ATOM 0 H GLU A 784 1.550 -3.394 5.601 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.795 -3.164 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.387 -4.568 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.997 -3.155 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.698 -4.072 9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.614 -5.183 9.464 1.00 0.00 H new ATOM 709 N ALA A 785 1.394 -0.706 7.363 1.00 0.00 N ATOM 710 CA ALA A 785 1.584 0.678 7.752 1.00 0.00 C ATOM 711 C ALA A 785 0.523 1.548 7.095 1.00 0.00 C ATOM 712 O ALA A 785 0.072 2.533 7.671 1.00 0.00 O ATOM 713 CB ALA A 785 2.979 1.152 7.371 1.00 0.00 C ATOM 0 H ALA A 785 2.192 -1.120 6.880 1.00 0.00 H new ATOM 0 HA ALA A 785 1.484 0.759 8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.104 2.193 7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.723 0.537 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.110 1.066 6.292 1.00 0.00 H new ATOM 719 N MET A 786 0.122 1.165 5.885 1.00 0.00 N ATOM 720 CA MET A 786 -0.897 1.904 5.155 1.00 0.00 C ATOM 721 C MET A 786 -2.227 1.824 5.890 1.00 0.00 C ATOM 722 O MET A 786 -2.984 2.791 5.937 1.00 0.00 O ATOM 723 CB MET A 786 -1.049 1.367 3.733 1.00 0.00 C ATOM 724 CG MET A 786 -0.058 1.968 2.759 1.00 0.00 C ATOM 725 SD MET A 786 -0.346 1.461 1.053 1.00 0.00 S ATOM 726 CE MET A 786 1.132 0.508 0.724 1.00 0.00 C ATOM 0 H MET A 786 0.488 0.350 5.393 1.00 0.00 H new ATOM 0 HA MET A 786 -0.585 2.946 5.093 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.925 0.284 3.745 1.00 0.00 H new ATOM 0 HB3 MET A 786 -2.061 1.568 3.382 1.00 0.00 H new ATOM 0 HG2 MET A 786 -0.109 3.055 2.822 1.00 0.00 H new ATOM 0 HG3 MET A 786 0.951 1.679 3.052 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.029 -0.004 -0.233 1.00 0.00 H new ATOM 0 HE2 MET A 786 1.994 1.174 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.274 -0.228 1.516 1.00 0.00 H new ATOM 736 N GLU A 787 -2.502 0.663 6.469 1.00 0.00 N ATOM 737 CA GLU A 787 -3.735 0.465 7.217 1.00 0.00 C ATOM 738 C GLU A 787 -3.764 1.367 8.444 1.00 0.00 C ATOM 739 O GLU A 787 -4.721 2.108 8.667 1.00 0.00 O ATOM 740 CB GLU A 787 -3.863 -0.994 7.648 1.00 0.00 C ATOM 741 CG GLU A 787 -4.865 -1.780 6.827 1.00 0.00 C ATOM 742 CD GLU A 787 -5.553 -2.867 7.627 1.00 0.00 C ATOM 743 OE1 GLU A 787 -4.924 -3.402 8.564 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.719 -3.184 7.317 1.00 0.00 O ATOM 0 H GLU A 787 -1.890 -0.153 6.435 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.574 0.721 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.887 -1.474 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.156 -1.030 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.616 -1.098 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.357 -2.229 5.974 1.00 0.00 H new ATOM 751 N MET A 788 -2.706 1.283 9.236 1.00 0.00 N ATOM 752 CA MET A 788 -2.585 2.075 10.455 1.00 0.00 C ATOM 753 C MET A 788 -2.462 3.568 10.151 1.00 0.00 C ATOM 754 O MET A 788 -3.001 4.404 10.874 1.00 0.00 O ATOM 755 CB MET A 788 -1.364 1.616 11.249 1.00 0.00 C ATOM 756 CG MET A 788 -1.577 0.308 11.992 1.00 0.00 C ATOM 757 SD MET A 788 -0.223 -0.079 13.119 1.00 0.00 S ATOM 758 CE MET A 788 1.184 0.016 12.014 1.00 0.00 C ATOM 0 H MET A 788 -1.911 0.669 9.056 1.00 0.00 H new ATOM 0 HA MET A 788 -3.492 1.923 11.040 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.520 1.504 10.569 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.095 2.392 11.966 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.509 0.362 12.555 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.687 -0.502 11.270 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.975 -0.641 12.375 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.882 -0.294 11.014 1.00 0.00 H new ATOM 0 HE3 MET A 788 1.552 1.042 11.981 1.00 0.00 H new ATOM 768 N ALA A 789 -1.733 3.891 9.092 1.00 0.00 N ATOM 769 CA ALA A 789 -1.514 5.281 8.697 1.00 0.00 C ATOM 770 C ALA A 789 -2.762 5.906 8.087 1.00 0.00 C ATOM 771 O ALA A 789 -2.896 7.130 8.047 1.00 0.00 O ATOM 772 CB ALA A 789 -0.363 5.365 7.707 1.00 0.00 C ATOM 0 H ALA A 789 -1.280 3.207 8.486 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.269 5.842 9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.207 6.404 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.544 4.977 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.600 4.774 6.822 1.00 0.00 H new ATOM 778 N GLY A 790 -3.663 5.068 7.597 1.00 0.00 N ATOM 779 CA GLY A 790 -4.874 5.570 6.979 1.00 0.00 C ATOM 780 C GLY A 790 -4.700 5.775 5.486 1.00 0.00 C ATOM 781 O GLY A 790 -5.466 6.502 4.856 1.00 0.00 O ATOM 0 H GLY A 790 -3.578 4.052 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.690 4.870 7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.156 6.514 7.445 1.00 0.00 H new ATOM 785 N VAL A 791 -3.684 5.130 4.924 1.00 0.00 N ATOM 786 CA VAL A 791 -3.396 5.232 3.503 1.00 0.00 C ATOM 787 C VAL A 791 -4.259 4.267 2.706 1.00 0.00 C ATOM 788 O VAL A 791 -4.613 4.540 1.559 1.00 0.00 O ATOM 789 CB VAL A 791 -1.911 4.957 3.224 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.594 5.159 1.754 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.040 5.849 4.093 1.00 0.00 C ATOM 0 H VAL A 791 -3.042 4.526 5.438 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.628 6.250 3.190 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.697 3.918 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.537 4.959 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.197 4.477 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.820 6.187 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.010 5.645 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.256 6.894 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.248 5.649 5.144 1.00 0.00 H new ATOM 801 N VAL A 792 -4.617 3.144 3.323 1.00 0.00 N ATOM 802 CA VAL A 792 -5.464 2.159 2.660 1.00 0.00 C ATOM 803 C VAL A 792 -6.537 1.621 3.603 1.00 0.00 C ATOM 804 O VAL A 792 -6.297 1.441 4.796 1.00 0.00 O ATOM 805 CB VAL A 792 -4.642 0.988 2.082 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.481 1.514 1.258 1.00 0.00 C ATOM 807 CG2 VAL A 792 -4.134 0.064 3.179 1.00 0.00 C ATOM 0 H VAL A 792 -4.337 2.896 4.272 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.951 2.676 1.833 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.302 0.407 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.910 0.676 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.863 2.119 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.835 2.125 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.560 -0.748 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.497 0.626 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.980 -0.349 3.728 1.00 0.00 H new ATOM 817 N THR A 793 -7.723 1.365 3.058 1.00 0.00 N ATOM 818 CA THR A 793 -8.829 0.843 3.857 1.00 0.00 C ATOM 819 C THR A 793 -8.687 -0.670 4.019 1.00 0.00 C ATOM 820 O THR A 793 -7.981 -1.313 3.244 1.00 0.00 O ATOM 821 CB THR A 793 -10.180 1.173 3.206 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.532 0.188 2.255 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.217 2.516 2.504 1.00 0.00 C ATOM 0 H THR A 793 -7.943 1.509 2.072 1.00 0.00 H new ATOM 0 HA THR A 793 -8.795 1.317 4.838 1.00 0.00 H new ATOM 0 HB THR A 793 -10.887 1.203 4.035 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.508 0.114 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.205 2.673 2.071 1.00 0.00 H new ATOM 0 HG22 THR A 793 -10.005 3.308 3.222 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.467 2.534 1.713 1.00 0.00 H new ATOM 831 N PRO A 794 -9.356 -1.269 5.022 1.00 0.00 N ATOM 832 CA PRO A 794 -9.285 -2.715 5.252 1.00 0.00 C ATOM 833 C PRO A 794 -9.795 -3.509 4.055 1.00 0.00 C ATOM 834 O PRO A 794 -10.416 -2.953 3.149 1.00 0.00 O ATOM 835 CB PRO A 794 -10.191 -2.939 6.469 1.00 0.00 C ATOM 836 CG PRO A 794 -11.063 -1.734 6.526 1.00 0.00 C ATOM 837 CD PRO A 794 -10.230 -0.600 6.000 1.00 0.00 C ATOM 0 HA PRO A 794 -8.260 -3.051 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.781 -3.849 6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.606 -3.047 7.382 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.961 -1.872 5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.392 -1.537 7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.843 0.171 5.534 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.657 -0.117 6.792 1.00 0.00 H new ATOM 845 N MET A 795 -9.527 -4.809 4.055 1.00 0.00 N ATOM 846 CA MET A 795 -9.952 -5.678 2.967 1.00 0.00 C ATOM 847 C MET A 795 -11.466 -5.638 2.787 1.00 0.00 C ATOM 848 O MET A 795 -12.203 -5.271 3.703 1.00 0.00 O ATOM 849 CB MET A 795 -9.499 -7.112 3.234 1.00 0.00 C ATOM 850 CG MET A 795 -8.053 -7.220 3.696 1.00 0.00 C ATOM 851 SD MET A 795 -7.107 -8.427 2.746 1.00 0.00 S ATOM 852 CE MET A 795 -5.852 -8.891 3.936 1.00 0.00 C ATOM 0 H MET A 795 -9.016 -5.285 4.799 1.00 0.00 H new ATOM 0 HA MET A 795 -9.490 -5.317 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 795 -10.147 -7.554 3.991 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.625 -7.699 2.324 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.576 -6.244 3.613 1.00 0.00 H new ATOM 0 HG3 MET A 795 -8.032 -7.497 4.750 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.188 -9.634 3.494 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.275 -8.010 4.218 1.00 0.00 H new ATOM 0 HE3 MET A 795 -6.328 -9.312 4.822 1.00 0.00 H new ATOM 862 N ASN A 796 -11.920 -6.020 1.599 1.00 0.00 N ATOM 863 CA ASN A 796 -13.346 -6.031 1.288 1.00 0.00 C ATOM 864 C ASN A 796 -13.919 -7.438 1.415 1.00 0.00 C ATOM 865 O ASN A 796 -13.192 -8.395 1.679 1.00 0.00 O ATOM 866 CB ASN A 796 -13.585 -5.500 -0.126 1.00 0.00 C ATOM 867 CG ASN A 796 -13.573 -3.991 -0.188 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.852 -3.312 0.800 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.250 -3.460 -1.356 1.00 0.00 N ATOM 0 H ASN A 796 -11.320 -6.327 0.833 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.853 -5.384 2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.818 -5.894 -0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.544 -5.868 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.225 -2.446 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -13.026 -4.064 -2.147 1.00 0.00 H new ATOM 876 N THR A 797 -15.230 -7.556 1.224 1.00 0.00 N ATOM 877 CA THR A 797 -15.903 -8.847 1.314 1.00 0.00 C ATOM 878 C THR A 797 -15.315 -9.840 0.317 1.00 0.00 C ATOM 879 O THR A 797 -15.321 -11.048 0.552 1.00 0.00 O ATOM 880 CB THR A 797 -17.404 -8.682 1.065 1.00 0.00 C ATOM 881 OG1 THR A 797 -18.071 -9.925 1.188 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.727 -8.122 -0.303 1.00 0.00 C ATOM 0 H THR A 797 -15.847 -6.773 1.006 1.00 0.00 H new ATOM 0 HA THR A 797 -15.750 -9.238 2.320 1.00 0.00 H new ATOM 0 HB THR A 797 -17.745 -7.973 1.819 1.00 0.00 H new ATOM 0 HG1 THR A 797 -19.029 -9.799 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.808 -8.031 -0.413 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.267 -7.140 -0.412 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.339 -8.791 -1.071 1.00 0.00 H new ATOM 890 N ASN A 798 -14.804 -9.322 -0.797 1.00 0.00 N ATOM 891 CA ASN A 798 -14.210 -10.167 -1.827 1.00 0.00 C ATOM 892 C ASN A 798 -12.720 -10.389 -1.568 1.00 0.00 C ATOM 893 O ASN A 798 -12.119 -11.313 -2.116 1.00 0.00 O ATOM 894 CB ASN A 798 -14.411 -9.541 -3.208 1.00 0.00 C ATOM 895 CG ASN A 798 -14.485 -10.574 -4.306 1.00 0.00 C ATOM 896 OD1 ASN A 798 -13.882 -11.643 -4.215 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.228 -10.256 -5.355 1.00 0.00 N ATOM 0 H ASN A 798 -14.790 -8.324 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.711 -11.135 -1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -15.328 -8.951 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.590 -8.854 -3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -15.319 -10.910 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.709 -9.357 -5.385 1.00 0.00 H new ATOM 904 N GLY A 799 -12.131 -9.543 -0.728 1.00 0.00 N ATOM 905 CA GLY A 799 -10.720 -9.675 -0.414 1.00 0.00 C ATOM 906 C GLY A 799 -9.863 -8.644 -1.123 1.00 0.00 C ATOM 907 O GLY A 799 -8.732 -8.934 -1.515 1.00 0.00 O ATOM 0 H GLY A 799 -12.605 -8.770 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.581 -9.578 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.382 -10.674 -0.690 1.00 0.00 H new ATOM 911 N SER A 800 -10.398 -7.439 -1.291 1.00 0.00 N ATOM 912 CA SER A 800 -9.667 -6.368 -1.959 1.00 0.00 C ATOM 913 C SER A 800 -9.645 -5.102 -1.107 1.00 0.00 C ATOM 914 O SER A 800 -10.684 -4.645 -0.631 1.00 0.00 O ATOM 915 CB SER A 800 -10.292 -6.065 -3.323 1.00 0.00 C ATOM 916 OG SER A 800 -10.416 -7.240 -4.113 1.00 0.00 O ATOM 0 H SER A 800 -11.333 -7.180 -0.975 1.00 0.00 H new ATOM 0 HA SER A 800 -8.640 -6.704 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.275 -5.615 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.679 -5.334 -3.851 1.00 0.00 H new ATOM 0 HG SER A 800 -10.820 -7.013 -4.976 1.00 0.00 H new ATOM 922 N ARG A 801 -8.454 -4.543 -0.921 1.00 0.00 N ATOM 923 CA ARG A 801 -8.294 -3.329 -0.128 1.00 0.00 C ATOM 924 C ARG A 801 -8.622 -2.090 -0.953 1.00 0.00 C ATOM 925 O ARG A 801 -8.786 -2.162 -2.172 1.00 0.00 O ATOM 926 CB ARG A 801 -6.859 -3.221 0.399 1.00 0.00 C ATOM 927 CG ARG A 801 -6.664 -3.824 1.778 1.00 0.00 C ATOM 928 CD ARG A 801 -5.232 -4.298 1.980 1.00 0.00 C ATOM 929 NE ARG A 801 -4.359 -3.263 2.534 1.00 0.00 N ATOM 930 CZ ARG A 801 -3.924 -3.247 3.791 1.00 0.00 C ATOM 931 NH1 ARG A 801 -4.384 -4.123 4.678 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.032 -2.341 4.166 1.00 0.00 N ATOM 0 H ARG A 801 -7.585 -4.911 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 801 -8.987 -3.387 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.187 -3.716 -0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.571 -2.170 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.915 -3.085 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.348 -4.662 1.910 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.231 -5.161 2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.828 -4.633 1.025 1.00 0.00 H new ATOM 0 HE ARG A 801 -4.065 -2.506 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -5.077 -4.816 4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -4.044 -4.102 5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -2.682 -1.660 3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -2.695 -2.325 5.129 1.00 0.00 H new ATOM 946 N GLU A 802 -8.697 -0.954 -0.275 1.00 0.00 N ATOM 947 CA GLU A 802 -8.982 0.317 -0.921 1.00 0.00 C ATOM 948 C GLU A 802 -8.033 1.387 -0.396 1.00 0.00 C ATOM 949 O GLU A 802 -7.255 1.134 0.525 1.00 0.00 O ATOM 950 CB GLU A 802 -10.439 0.725 -0.692 1.00 0.00 C ATOM 951 CG GLU A 802 -11.318 0.535 -1.917 1.00 0.00 C ATOM 952 CD GLU A 802 -12.796 0.656 -1.600 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.227 0.113 -0.561 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.522 1.293 -2.391 1.00 0.00 O ATOM 0 H GLU A 802 -8.563 -0.888 0.734 1.00 0.00 H new ATOM 0 HA GLU A 802 -8.830 0.209 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.847 0.141 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.472 1.771 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.050 1.276 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.123 -0.446 -2.351 1.00 0.00 H new ATOM 961 N VAL A 803 -8.080 2.574 -0.986 1.00 0.00 N ATOM 962 CA VAL A 803 -7.196 3.653 -0.568 1.00 0.00 C ATOM 963 C VAL A 803 -7.941 4.773 0.146 1.00 0.00 C ATOM 964 O VAL A 803 -8.995 5.222 -0.302 1.00 0.00 O ATOM 965 CB VAL A 803 -6.438 4.256 -1.764 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.413 5.276 -1.285 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.769 3.164 -2.581 1.00 0.00 C ATOM 0 H VAL A 803 -8.714 2.813 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.490 3.201 0.128 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.157 4.767 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.886 5.693 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.920 6.077 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.698 4.789 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.239 3.612 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.062 2.621 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.526 2.474 -2.955 1.00 0.00 H new ATOM 977 N ILE A 804 -7.358 5.238 1.245 1.00 0.00 N ATOM 978 CA ILE A 804 -7.930 6.335 2.017 1.00 0.00 C ATOM 979 C ILE A 804 -7.117 7.606 1.785 1.00 0.00 C ATOM 980 O ILE A 804 -7.639 8.718 1.871 1.00 0.00 O ATOM 981 CB ILE A 804 -7.984 6.034 3.536 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.321 4.688 3.857 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.423 6.057 4.029 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.499 4.245 5.293 1.00 0.00 C ATOM 0 H ILE A 804 -6.485 4.870 1.623 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.956 6.466 1.672 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.426 6.812 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.733 3.924 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.256 4.757 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.445 5.844 5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.854 7.041 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -10.002 5.302 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -7.003 3.286 5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -7.061 4.988 5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.562 4.142 5.513 1.00 0.00 H new ATOM 996 N ALA A 805 -5.833 7.424 1.476 1.00 0.00 N ATOM 997 CA ALA A 805 -4.938 8.539 1.216 1.00 0.00 C ATOM 998 C ALA A 805 -5.098 9.037 -0.220 1.00 0.00 C ATOM 999 O ALA A 805 -4.954 8.267 -1.169 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.494 8.125 1.469 1.00 0.00 C ATOM 0 H ALA A 805 -5.393 6.507 1.401 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.197 9.352 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.833 8.969 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.382 7.812 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.232 7.297 0.810 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.400 10.333 -0.400 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.580 10.927 -1.730 1.00 0.00 C ATOM 1008 C PRO A 806 -4.308 10.880 -2.570 1.00 0.00 C ATOM 1009 O PRO A 806 -3.214 10.665 -2.050 1.00 0.00 O ATOM 1010 CB PRO A 806 -5.970 12.377 -1.429 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.456 12.629 -0.056 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.589 11.322 0.671 1.00 0.00 C ATOM 0 HA PRO A 806 -6.324 10.385 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.527 13.064 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.050 12.515 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.418 12.960 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.029 13.413 0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.839 11.217 1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.564 11.221 1.147 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.468 11.083 -3.873 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.340 11.064 -4.799 1.00 0.00 C ATOM 1022 C ALA A 807 -2.793 12.471 -5.028 1.00 0.00 C ATOM 1023 O ALA A 807 -3.461 13.462 -4.731 1.00 0.00 O ATOM 1024 CB ALA A 807 -3.756 10.434 -6.121 1.00 0.00 C ATOM 0 H ALA A 807 -5.370 11.263 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.546 10.463 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -2.906 10.426 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.092 9.412 -5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.568 11.013 -6.560 1.00 0.00 H new