USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 553 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 740 SER OG : rot 180:sc= 0 USER MOD Single : A 741 SER OG : rot 180:sc= -0.236 USER MOD Single : A 743 SER OG : rot 180:sc=-1.17e-05 USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 754 CYS SG : rot 87:sc= -1.89! USER MOD Single : A 757 TYR OH : rot 180:sc= 0 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot -54:sc= 0.756 USER MOD Single : A 763 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 766 SER OG : rot 32:sc= 0.0685 USER MOD Single : A 776 HIS : no HE2:sc= -4.85! C(o=-4.9!,f=-4.2!) USER MOD Single : A 780 SER OG : rot 180:sc= 0.0417 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 788 HIS : no HD1:sc= -6.95! C(o=-6.9!,f=-8.9!) USER MOD Single : A 789 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.1!) USER MOD Single : A 791 MET CE :methyl 149:sc= -0.67 (180deg=-2.16!) USER MOD Single : A 797 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-8!) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 GLN : amide:sc=-0.00822 K(o=-0.0082,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 739 -20.605 -12.029 0.130 1.00 0.00 N ATOM 2 CA GLY A 739 -21.886 -12.710 0.150 1.00 0.00 C ATOM 3 C GLY A 739 -22.164 -13.384 1.479 1.00 0.00 C ATOM 4 O GLY A 739 -22.620 -12.742 2.425 1.00 0.00 O ATOM 0 HA2 GLY A 739 -22.679 -11.993 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 739 -21.910 -13.456 -0.644 1.00 0.00 H new ATOM 8 N SER A 740 -21.891 -14.683 1.550 1.00 0.00 N ATOM 9 CA SER A 740 -22.120 -15.447 2.771 1.00 0.00 C ATOM 10 C SER A 740 -21.625 -14.679 3.992 1.00 0.00 C ATOM 11 O SER A 740 -22.396 -14.371 4.901 1.00 0.00 O ATOM 12 CB SER A 740 -21.418 -16.804 2.688 1.00 0.00 C ATOM 13 OG SER A 740 -21.907 -17.565 1.598 1.00 0.00 O ATOM 0 H SER A 740 -21.511 -15.228 0.776 1.00 0.00 H new ATOM 0 HA SER A 740 -23.193 -15.607 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 740 -20.344 -16.655 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 740 -21.571 -17.353 3.617 1.00 0.00 H new ATOM 0 HG SER A 740 -21.441 -18.427 1.566 1.00 0.00 H new ATOM 19 N SER A 741 -20.331 -14.372 4.007 1.00 0.00 N ATOM 20 CA SER A 741 -19.731 -13.643 5.118 1.00 0.00 C ATOM 21 C SER A 741 -18.475 -12.903 4.667 1.00 0.00 C ATOM 22 O SER A 741 -17.895 -13.217 3.628 1.00 0.00 O ATOM 23 CB SER A 741 -19.388 -14.603 6.259 1.00 0.00 C ATOM 24 OG SER A 741 -20.516 -15.378 6.630 1.00 0.00 O ATOM 0 H SER A 741 -19.679 -14.617 3.262 1.00 0.00 H new ATOM 0 HA SER A 741 -20.456 -12.911 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 741 -18.575 -15.261 5.953 1.00 0.00 H new ATOM 0 HB3 SER A 741 -19.032 -14.037 7.120 1.00 0.00 H new ATOM 0 HG SER A 741 -20.271 -15.984 7.360 1.00 0.00 H new ATOM 30 N GLY A 742 -18.062 -11.917 5.456 1.00 0.00 N ATOM 31 CA GLY A 742 -16.878 -11.146 5.122 1.00 0.00 C ATOM 32 C GLY A 742 -17.061 -10.316 3.867 1.00 0.00 C ATOM 33 O GLY A 742 -18.184 -10.128 3.398 1.00 0.00 O ATOM 0 H GLY A 742 -18.526 -11.638 6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 742 -16.629 -10.489 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 742 -16.034 -11.822 4.987 1.00 0.00 H new ATOM 37 N SER A 743 -15.956 -9.817 3.323 1.00 0.00 N ATOM 38 CA SER A 743 -16.001 -8.998 2.117 1.00 0.00 C ATOM 39 C SER A 743 -14.769 -9.239 1.251 1.00 0.00 C ATOM 40 O SER A 743 -13.751 -9.745 1.725 1.00 0.00 O ATOM 41 CB SER A 743 -16.097 -7.516 2.486 1.00 0.00 C ATOM 42 OG SER A 743 -17.208 -7.271 3.330 1.00 0.00 O ATOM 0 H SER A 743 -15.019 -9.965 3.698 1.00 0.00 H new ATOM 0 HA SER A 743 -16.886 -9.282 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 743 -15.181 -7.203 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 743 -16.186 -6.917 1.579 1.00 0.00 H new ATOM 0 HG SER A 743 -17.246 -6.317 3.552 1.00 0.00 H new ATOM 48 N SER A 744 -14.868 -8.875 -0.024 1.00 0.00 N ATOM 49 CA SER A 744 -13.764 -9.055 -0.959 1.00 0.00 C ATOM 50 C SER A 744 -13.467 -7.757 -1.704 1.00 0.00 C ATOM 51 O SER A 744 -14.017 -7.503 -2.775 1.00 0.00 O ATOM 52 CB SER A 744 -14.091 -10.166 -1.958 1.00 0.00 C ATOM 53 OG SER A 744 -14.077 -11.437 -1.330 1.00 0.00 O ATOM 0 H SER A 744 -15.702 -8.454 -0.433 1.00 0.00 H new ATOM 0 HA SER A 744 -12.879 -9.337 -0.389 1.00 0.00 H new ATOM 0 HB2 SER A 744 -15.071 -9.986 -2.399 1.00 0.00 H new ATOM 0 HB3 SER A 744 -13.367 -10.151 -2.773 1.00 0.00 H new ATOM 0 HG SER A 744 -14.291 -12.130 -1.989 1.00 0.00 H new ATOM 59 N GLY A 745 -12.591 -6.939 -1.128 1.00 0.00 N ATOM 60 CA GLY A 745 -12.235 -5.677 -1.751 1.00 0.00 C ATOM 61 C GLY A 745 -13.156 -4.546 -1.338 1.00 0.00 C ATOM 62 O GLY A 745 -12.837 -3.775 -0.434 1.00 0.00 O ATOM 0 H GLY A 745 -12.122 -7.127 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 745 -11.209 -5.421 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 745 -12.266 -5.789 -2.835 1.00 0.00 H new ATOM 66 N GLU A 746 -14.303 -4.447 -2.004 1.00 0.00 N ATOM 67 CA GLU A 746 -15.272 -3.400 -1.703 1.00 0.00 C ATOM 68 C GLU A 746 -14.725 -2.026 -2.081 1.00 0.00 C ATOM 69 O GLU A 746 -14.820 -1.074 -1.308 1.00 0.00 O ATOM 70 CB GLU A 746 -15.637 -3.424 -0.217 1.00 0.00 C ATOM 71 CG GLU A 746 -16.889 -2.631 0.116 1.00 0.00 C ATOM 72 CD GLU A 746 -17.552 -3.097 1.398 1.00 0.00 C ATOM 73 OE1 GLU A 746 -16.825 -3.394 2.368 1.00 0.00 O ATOM 74 OE2 GLU A 746 -18.799 -3.164 1.429 1.00 0.00 O ATOM 0 H GLU A 746 -14.583 -5.078 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 746 -16.168 -3.590 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 746 -15.778 -4.458 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 746 -14.802 -3.027 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 746 -16.632 -1.576 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 746 -17.598 -2.717 -0.707 1.00 0.00 H new ATOM 81 N GLY A 747 -14.151 -1.933 -3.277 1.00 0.00 N ATOM 82 CA GLY A 747 -13.596 -0.674 -3.737 1.00 0.00 C ATOM 83 C GLY A 747 -12.099 -0.584 -3.514 1.00 0.00 C ATOM 84 O GLY A 747 -11.630 -0.631 -2.377 1.00 0.00 O ATOM 0 H GLY A 747 -14.061 -2.707 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -13.810 -0.553 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -14.088 0.148 -3.217 1.00 0.00 H new ATOM 88 N VAL A 748 -11.347 -0.455 -4.603 1.00 0.00 N ATOM 89 CA VAL A 748 -9.895 -0.359 -4.521 1.00 0.00 C ATOM 90 C VAL A 748 -9.386 0.889 -5.233 1.00 0.00 C ATOM 91 O VAL A 748 -9.978 1.344 -6.212 1.00 0.00 O ATOM 92 CB VAL A 748 -9.215 -1.598 -5.132 1.00 0.00 C ATOM 93 CG1 VAL A 748 -7.720 -1.366 -5.287 1.00 0.00 C ATOM 94 CG2 VAL A 748 -9.486 -2.829 -4.280 1.00 0.00 C ATOM 0 H VAL A 748 -11.720 -0.415 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 748 -9.641 -0.299 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 748 -9.636 -1.770 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 748 -7.257 -2.253 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 748 -7.550 -0.511 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 748 -7.279 -1.167 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 748 -8.998 -3.695 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 748 -9.094 -2.670 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 748 -10.560 -3.005 -4.227 1.00 0.00 H new ATOM 104 N VAL A 749 -8.283 1.440 -4.736 1.00 0.00 N ATOM 105 CA VAL A 749 -7.692 2.635 -5.326 1.00 0.00 C ATOM 106 C VAL A 749 -6.372 2.313 -6.016 1.00 0.00 C ATOM 107 O VAL A 749 -5.398 1.932 -5.367 1.00 0.00 O ATOM 108 CB VAL A 749 -7.451 3.724 -4.264 1.00 0.00 C ATOM 109 CG1 VAL A 749 -6.811 4.952 -4.893 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.755 4.089 -3.570 1.00 0.00 C ATOM 0 H VAL A 749 -7.781 1.077 -3.926 1.00 0.00 H new ATOM 0 HA VAL A 749 -8.402 3.008 -6.064 1.00 0.00 H new ATOM 0 HB VAL A 749 -6.765 3.330 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -6.649 5.710 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -5.855 4.676 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.470 5.351 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.566 4.860 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.466 4.464 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.168 3.205 -3.083 1.00 0.00 H new ATOM 120 N GLU A 750 -6.347 2.468 -7.336 1.00 0.00 N ATOM 121 CA GLU A 750 -5.145 2.193 -8.114 1.00 0.00 C ATOM 122 C GLU A 750 -4.263 3.434 -8.211 1.00 0.00 C ATOM 123 O GLU A 750 -4.714 4.498 -8.634 1.00 0.00 O ATOM 124 CB GLU A 750 -5.518 1.709 -9.517 1.00 0.00 C ATOM 125 CG GLU A 750 -5.750 0.209 -9.602 1.00 0.00 C ATOM 126 CD GLU A 750 -6.647 -0.177 -10.761 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.884 -0.098 -10.607 1.00 0.00 O ATOM 128 OE2 GLU A 750 -6.112 -0.560 -11.823 1.00 0.00 O ATOM 0 H GLU A 750 -7.145 2.782 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.585 1.409 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.420 2.227 -9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.724 1.985 -10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.791 -0.298 -9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.196 -0.139 -8.670 1.00 0.00 H new ATOM 135 N ALA A 751 -3.002 3.290 -7.815 1.00 0.00 N ATOM 136 CA ALA A 751 -2.056 4.397 -7.858 1.00 0.00 C ATOM 137 C ALA A 751 -0.836 4.045 -8.702 1.00 0.00 C ATOM 138 O ALA A 751 -0.413 2.890 -8.748 1.00 0.00 O ATOM 139 CB ALA A 751 -1.632 4.784 -6.448 1.00 0.00 C ATOM 0 H ALA A 751 -2.613 2.416 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.552 5.249 -8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.925 5.612 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.508 5.087 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.159 3.930 -5.963 1.00 0.00 H new ATOM 145 N VAL A 752 -0.274 5.048 -9.369 1.00 0.00 N ATOM 146 CA VAL A 752 0.898 4.844 -10.212 1.00 0.00 C ATOM 147 C VAL A 752 2.150 5.420 -9.560 1.00 0.00 C ATOM 148 O VAL A 752 2.157 6.565 -9.110 1.00 0.00 O ATOM 149 CB VAL A 752 0.711 5.488 -11.599 1.00 0.00 C ATOM 150 CG1 VAL A 752 1.900 5.178 -12.496 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.586 5.013 -12.236 1.00 0.00 C ATOM 0 H VAL A 752 -0.612 6.010 -9.342 1.00 0.00 H new ATOM 0 HA VAL A 752 1.018 3.767 -10.333 1.00 0.00 H new ATOM 0 HB VAL A 752 0.653 6.569 -11.474 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.750 5.641 -13.471 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.810 5.572 -12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 752 1.993 4.099 -12.617 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.702 5.478 -13.215 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.560 3.929 -12.350 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.427 5.291 -11.600 1.00 0.00 H new ATOM 161 N ALA A 753 3.209 4.619 -9.515 1.00 0.00 N ATOM 162 CA ALA A 753 4.469 5.050 -8.921 1.00 0.00 C ATOM 163 C ALA A 753 5.167 6.080 -9.802 1.00 0.00 C ATOM 164 O ALA A 753 5.719 5.742 -10.850 1.00 0.00 O ATOM 165 CB ALA A 753 5.377 3.853 -8.684 1.00 0.00 C ATOM 0 H ALA A 753 3.220 3.668 -9.883 1.00 0.00 H new ATOM 0 HA ALA A 753 4.249 5.520 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.314 4.189 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.886 3.152 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.582 3.358 -9.633 1.00 0.00 H new ATOM 171 N CYS A 754 5.138 7.336 -9.372 1.00 0.00 N ATOM 172 CA CYS A 754 5.767 8.417 -10.123 1.00 0.00 C ATOM 173 C CYS A 754 7.268 8.182 -10.259 1.00 0.00 C ATOM 174 O CYS A 754 7.873 8.534 -11.272 1.00 0.00 O ATOM 175 CB CYS A 754 5.508 9.760 -9.439 1.00 0.00 C ATOM 176 SG CYS A 754 6.051 9.828 -7.716 1.00 0.00 S ATOM 0 H CYS A 754 4.686 7.632 -8.507 1.00 0.00 H new ATOM 0 HA CYS A 754 5.329 8.436 -11.121 1.00 0.00 H new ATOM 0 HB2 CYS A 754 6.015 10.545 -10.000 1.00 0.00 H new ATOM 0 HB3 CYS A 754 4.441 9.977 -9.481 1.00 0.00 H new ATOM 0 HG CYS A 754 7.301 10.182 -7.669 1.00 0.00 H new ATOM 182 N PHE A 755 7.864 7.588 -9.230 1.00 0.00 N ATOM 183 CA PHE A 755 9.295 7.309 -9.233 1.00 0.00 C ATOM 184 C PHE A 755 9.576 5.904 -8.708 1.00 0.00 C ATOM 185 O PHE A 755 8.699 5.255 -8.139 1.00 0.00 O ATOM 186 CB PHE A 755 10.039 8.341 -8.384 1.00 0.00 C ATOM 187 CG PHE A 755 9.557 9.749 -8.593 1.00 0.00 C ATOM 188 CD1 PHE A 755 9.696 10.366 -9.825 1.00 0.00 C ATOM 189 CD2 PHE A 755 8.966 10.454 -7.557 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.254 11.661 -10.020 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.522 11.749 -7.746 1.00 0.00 C ATOM 192 CZ PHE A 755 8.665 12.353 -8.980 1.00 0.00 C ATOM 0 H PHE A 755 7.378 7.291 -8.384 1.00 0.00 H new ATOM 0 HA PHE A 755 9.650 7.371 -10.262 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.930 8.080 -7.331 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.103 8.291 -8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.155 9.829 -10.642 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.851 9.986 -6.590 1.00 0.00 H new ATOM 0 HE1 PHE A 755 9.369 12.132 -10.985 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.064 12.288 -6.930 1.00 0.00 H new ATOM 0 HZ PHE A 755 8.317 13.364 -9.131 1.00 0.00 H new ATOM 202 N ALA A 756 10.806 5.441 -8.904 1.00 0.00 N ATOM 203 CA ALA A 756 11.205 4.114 -8.449 1.00 0.00 C ATOM 204 C ALA A 756 11.623 4.139 -6.983 1.00 0.00 C ATOM 205 O ALA A 756 12.385 5.008 -6.559 1.00 0.00 O ATOM 206 CB ALA A 756 12.336 3.578 -9.314 1.00 0.00 C ATOM 0 H ALA A 756 11.544 5.965 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 756 10.345 3.451 -8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.624 2.587 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.003 3.514 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.193 4.249 -9.249 1.00 0.00 H new ATOM 212 N TYR A 757 11.119 3.181 -6.213 1.00 0.00 N ATOM 213 CA TYR A 757 11.438 3.095 -4.793 1.00 0.00 C ATOM 214 C TYR A 757 11.906 1.691 -4.424 1.00 0.00 C ATOM 215 O TYR A 757 11.555 0.712 -5.084 1.00 0.00 O ATOM 216 CB TYR A 757 10.219 3.476 -3.951 1.00 0.00 C ATOM 217 CG TYR A 757 10.539 3.704 -2.491 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.529 2.650 -1.585 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.852 4.972 -2.018 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.820 2.854 -0.250 1.00 0.00 C ATOM 221 CE2 TYR A 757 11.146 5.185 -0.684 1.00 0.00 C ATOM 222 CZ TYR A 757 11.128 4.123 0.196 1.00 0.00 C ATOM 223 OH TYR A 757 11.420 4.329 1.524 1.00 0.00 O ATOM 0 H TYR A 757 10.488 2.453 -6.548 1.00 0.00 H new ATOM 0 HA TYR A 757 12.248 3.795 -4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.773 4.381 -4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.471 2.687 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.290 1.655 -1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.866 5.806 -2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 757 10.806 2.024 0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 757 11.388 6.177 -0.333 1.00 0.00 H new ATOM 0 HH TYR A 757 11.616 5.278 1.673 1.00 0.00 H new ATOM 233 N THR A 758 12.702 1.599 -3.362 1.00 0.00 N ATOM 234 CA THR A 758 13.219 0.316 -2.904 1.00 0.00 C ATOM 235 C THR A 758 12.942 0.110 -1.419 1.00 0.00 C ATOM 236 O THR A 758 13.709 0.554 -0.566 1.00 0.00 O ATOM 237 CB THR A 758 14.735 0.201 -3.151 1.00 0.00 C ATOM 238 OG1 THR A 758 15.008 0.258 -4.556 1.00 0.00 O ATOM 239 CG2 THR A 758 15.280 -1.098 -2.577 1.00 0.00 C ATOM 0 H THR A 758 13.002 2.398 -2.804 1.00 0.00 H new ATOM 0 HA THR A 758 12.704 -0.455 -3.478 1.00 0.00 H new ATOM 0 HB THR A 758 15.226 1.036 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.974 0.186 -4.705 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.352 -1.157 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.097 -1.126 -1.503 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.782 -1.943 -3.053 1.00 0.00 H new ATOM 247 N GLY A 759 11.838 -0.568 -1.116 1.00 0.00 N ATOM 248 CA GLY A 759 11.480 -0.821 0.267 1.00 0.00 C ATOM 249 C GLY A 759 12.689 -1.087 1.141 1.00 0.00 C ATOM 250 O GLY A 759 13.530 -1.924 0.811 1.00 0.00 O ATOM 0 H GLY A 759 11.186 -0.946 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.933 0.036 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.807 -1.677 0.314 1.00 0.00 H new ATOM 254 N ARG A 760 12.780 -0.371 2.257 1.00 0.00 N ATOM 255 CA ARG A 760 13.898 -0.532 3.179 1.00 0.00 C ATOM 256 C ARG A 760 13.825 -1.879 3.893 1.00 0.00 C ATOM 257 O ARG A 760 14.824 -2.588 4.008 1.00 0.00 O ATOM 258 CB ARG A 760 13.907 0.602 4.206 1.00 0.00 C ATOM 259 CG ARG A 760 14.704 1.818 3.764 1.00 0.00 C ATOM 260 CD ARG A 760 15.323 2.539 4.951 1.00 0.00 C ATOM 261 NE ARG A 760 16.659 2.037 5.261 1.00 0.00 N ATOM 262 CZ ARG A 760 17.286 2.274 6.408 1.00 0.00 C ATOM 263 NH1 ARG A 760 16.700 3.002 7.348 1.00 0.00 N ATOM 264 NH2 ARG A 760 18.500 1.782 6.616 1.00 0.00 N ATOM 0 H ARG A 760 12.093 0.326 2.545 1.00 0.00 H new ATOM 0 HA ARG A 760 14.821 -0.497 2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 760 12.880 0.905 4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.320 0.229 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 760 15.490 1.509 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.054 2.503 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 760 15.377 3.607 4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 760 14.680 2.420 5.823 1.00 0.00 H new ATOM 0 HE ARG A 760 17.137 1.473 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 760 15.766 3.381 7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 760 17.183 3.183 8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 760 18.953 1.221 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 760 18.980 1.965 7.497 1.00 0.00 H new ATOM 278 N THR A 761 12.634 -2.225 4.371 1.00 0.00 N ATOM 279 CA THR A 761 12.430 -3.485 5.075 1.00 0.00 C ATOM 280 C THR A 761 11.219 -4.232 4.526 1.00 0.00 C ATOM 281 O THR A 761 10.432 -3.678 3.759 1.00 0.00 O ATOM 282 CB THR A 761 12.237 -3.259 6.586 1.00 0.00 C ATOM 283 OG1 THR A 761 11.042 -2.507 6.821 1.00 0.00 O ATOM 284 CG2 THR A 761 13.430 -2.524 7.180 1.00 0.00 C ATOM 0 H THR A 761 11.796 -1.650 4.283 1.00 0.00 H new ATOM 0 HA THR A 761 13.326 -4.085 4.916 1.00 0.00 H new ATOM 0 HB THR A 761 12.153 -4.233 7.068 1.00 0.00 H new ATOM 0 HG1 THR A 761 11.066 -1.682 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.271 -2.376 8.248 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.334 -3.113 7.026 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.541 -1.556 6.692 1.00 0.00 H new ATOM 292 N ALA A 762 11.076 -5.491 4.925 1.00 0.00 N ATOM 293 CA ALA A 762 9.960 -6.313 4.475 1.00 0.00 C ATOM 294 C ALA A 762 8.651 -5.531 4.515 1.00 0.00 C ATOM 295 O ALA A 762 7.846 -5.603 3.587 1.00 0.00 O ATOM 296 CB ALA A 762 9.852 -7.570 5.326 1.00 0.00 C ATOM 0 H ALA A 762 11.719 -5.964 5.559 1.00 0.00 H new ATOM 0 HA ALA A 762 10.149 -6.603 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 762 9.014 -8.174 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.774 -8.146 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.691 -7.292 6.367 1.00 0.00 H new ATOM 302 N GLN A 763 8.446 -4.785 5.596 1.00 0.00 N ATOM 303 CA GLN A 763 7.234 -3.991 5.757 1.00 0.00 C ATOM 304 C GLN A 763 6.972 -3.141 4.518 1.00 0.00 C ATOM 305 O GLN A 763 5.858 -3.118 3.995 1.00 0.00 O ATOM 306 CB GLN A 763 7.347 -3.094 6.991 1.00 0.00 C ATOM 307 CG GLN A 763 7.497 -3.865 8.292 1.00 0.00 C ATOM 308 CD GLN A 763 7.799 -2.964 9.473 1.00 0.00 C ATOM 309 OE1 GLN A 763 7.299 -1.842 9.557 1.00 0.00 O ATOM 310 NE2 GLN A 763 8.621 -3.452 10.395 1.00 0.00 N ATOM 0 H GLN A 763 9.103 -4.714 6.373 1.00 0.00 H new ATOM 0 HA GLN A 763 6.396 -4.675 5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.204 -2.431 6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.461 -2.462 7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 763 6.580 -4.420 8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 763 8.297 -4.598 8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 763 9.013 -4.387 10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 763 8.860 -2.891 11.213 1.00 0.00 H new ATOM 319 N GLU A 764 8.004 -2.444 4.055 1.00 0.00 N ATOM 320 CA GLU A 764 7.884 -1.591 2.878 1.00 0.00 C ATOM 321 C GLU A 764 7.871 -2.426 1.601 1.00 0.00 C ATOM 322 O GLU A 764 8.278 -3.589 1.601 1.00 0.00 O ATOM 323 CB GLU A 764 9.034 -0.583 2.831 1.00 0.00 C ATOM 324 CG GLU A 764 8.957 0.480 3.913 1.00 0.00 C ATOM 325 CD GLU A 764 8.833 -0.111 5.304 1.00 0.00 C ATOM 326 OE1 GLU A 764 7.705 -0.473 5.697 1.00 0.00 O ATOM 327 OE2 GLU A 764 9.866 -0.211 5.999 1.00 0.00 O ATOM 0 H GLU A 764 8.933 -2.453 4.477 1.00 0.00 H new ATOM 0 HA GLU A 764 6.940 -1.050 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.979 -1.118 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 764 9.040 -0.097 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.848 1.106 3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 764 8.102 1.128 3.720 1.00 0.00 H new ATOM 334 N LEU A 765 7.401 -1.825 0.513 1.00 0.00 N ATOM 335 CA LEU A 765 7.335 -2.512 -0.772 1.00 0.00 C ATOM 336 C LEU A 765 8.364 -1.947 -1.746 1.00 0.00 C ATOM 337 O LEU A 765 8.879 -0.846 -1.550 1.00 0.00 O ATOM 338 CB LEU A 765 5.931 -2.388 -1.367 1.00 0.00 C ATOM 339 CG LEU A 765 4.881 -3.355 -0.818 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.486 -2.926 -1.243 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.169 -4.775 -1.283 1.00 0.00 C ATOM 0 H LEU A 765 7.060 -0.864 0.495 1.00 0.00 H new ATOM 0 HA LEU A 765 7.561 -3.565 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.578 -1.370 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.001 -2.533 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 765 4.929 -3.333 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.752 -3.626 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.280 -1.926 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.424 -2.918 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.412 -5.449 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.149 -4.812 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.153 -5.082 -0.927 1.00 0.00 H new ATOM 353 N SER A 766 8.657 -2.707 -2.796 1.00 0.00 N ATOM 354 CA SER A 766 9.626 -2.283 -3.800 1.00 0.00 C ATOM 355 C SER A 766 9.013 -2.323 -5.197 1.00 0.00 C ATOM 356 O SER A 766 8.442 -3.333 -5.608 1.00 0.00 O ATOM 357 CB SER A 766 10.868 -3.174 -3.749 1.00 0.00 C ATOM 358 OG SER A 766 10.517 -4.544 -3.843 1.00 0.00 O ATOM 0 H SER A 766 8.237 -3.620 -2.974 1.00 0.00 H new ATOM 0 HA SER A 766 9.916 -1.256 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.542 -2.911 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.409 -2.997 -2.819 1.00 0.00 H new ATOM 0 HG SER A 766 9.720 -4.640 -4.405 1.00 0.00 H new ATOM 364 N PHE A 767 9.137 -1.216 -5.922 1.00 0.00 N ATOM 365 CA PHE A 767 8.595 -1.122 -7.272 1.00 0.00 C ATOM 366 C PHE A 767 9.342 -0.070 -8.086 1.00 0.00 C ATOM 367 O PHE A 767 10.088 0.741 -7.537 1.00 0.00 O ATOM 368 CB PHE A 767 7.104 -0.782 -7.224 1.00 0.00 C ATOM 369 CG PHE A 767 6.772 0.322 -6.261 1.00 0.00 C ATOM 370 CD1 PHE A 767 7.330 1.581 -6.411 1.00 0.00 C ATOM 371 CD2 PHE A 767 5.902 0.100 -5.206 1.00 0.00 C ATOM 372 CE1 PHE A 767 7.026 2.599 -5.527 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.594 1.114 -4.319 1.00 0.00 C ATOM 374 CZ PHE A 767 6.158 2.365 -4.479 1.00 0.00 C ATOM 0 H PHE A 767 9.608 -0.372 -5.597 1.00 0.00 H new ATOM 0 HA PHE A 767 8.724 -2.090 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.773 -0.495 -8.222 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.544 -1.675 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 767 8.011 1.769 -7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.459 -0.876 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 767 7.467 3.576 -5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 767 4.913 0.929 -3.501 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.920 3.158 -3.786 1.00 0.00 H new ATOM 384 N ARG A 768 9.137 -0.091 -9.399 1.00 0.00 N ATOM 385 CA ARG A 768 9.792 0.859 -10.290 1.00 0.00 C ATOM 386 C ARG A 768 8.774 1.805 -10.920 1.00 0.00 C ATOM 387 O ARG A 768 7.587 1.489 -11.002 1.00 0.00 O ATOM 388 CB ARG A 768 10.562 0.118 -11.385 1.00 0.00 C ATOM 389 CG ARG A 768 11.982 -0.252 -10.988 1.00 0.00 C ATOM 390 CD ARG A 768 12.007 -1.478 -10.089 1.00 0.00 C ATOM 391 NE ARG A 768 13.357 -1.790 -9.627 1.00 0.00 N ATOM 392 CZ ARG A 768 13.615 -2.494 -8.531 1.00 0.00 C ATOM 393 NH1 ARG A 768 12.619 -2.958 -7.788 1.00 0.00 N ATOM 394 NH2 ARG A 768 14.870 -2.737 -8.176 1.00 0.00 N ATOM 0 H ARG A 768 8.522 -0.756 -9.869 1.00 0.00 H new ATOM 0 HA ARG A 768 10.493 1.449 -9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 768 10.019 -0.790 -11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.594 0.740 -12.279 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.573 -0.444 -11.883 1.00 0.00 H new ATOM 0 HG3 ARG A 768 12.448 0.588 -10.473 1.00 0.00 H new ATOM 0 HD2 ARG A 768 11.359 -1.310 -9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 768 11.602 -2.333 -10.631 1.00 0.00 H new ATOM 0 HE ARG A 768 14.145 -1.448 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 768 11.653 -2.774 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 768 12.819 -3.499 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 768 15.639 -2.383 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 768 15.066 -3.278 -7.334 1.00 0.00 H new ATOM 408 N ARG A 769 9.247 2.965 -11.364 1.00 0.00 N ATOM 409 CA ARG A 769 8.377 3.957 -11.985 1.00 0.00 C ATOM 410 C ARG A 769 7.372 3.290 -12.919 1.00 0.00 C ATOM 411 O ARG A 769 7.721 2.389 -13.682 1.00 0.00 O ATOM 412 CB ARG A 769 9.208 4.982 -12.759 1.00 0.00 C ATOM 413 CG ARG A 769 8.378 6.087 -13.390 1.00 0.00 C ATOM 414 CD ARG A 769 7.893 5.697 -14.778 1.00 0.00 C ATOM 415 NE ARG A 769 7.168 6.784 -15.430 1.00 0.00 N ATOM 416 CZ ARG A 769 6.356 6.608 -16.466 1.00 0.00 C ATOM 417 NH1 ARG A 769 6.166 5.394 -16.965 1.00 0.00 N ATOM 418 NH2 ARG A 769 5.731 7.647 -17.005 1.00 0.00 N ATOM 0 H ARG A 769 10.227 3.241 -11.305 1.00 0.00 H new ATOM 0 HA ARG A 769 7.828 4.468 -11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.939 5.428 -12.085 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.767 4.468 -13.541 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.522 6.309 -12.753 1.00 0.00 H new ATOM 0 HG3 ARG A 769 8.972 6.998 -13.454 1.00 0.00 H new ATOM 0 HD2 ARG A 769 8.746 5.410 -15.393 1.00 0.00 H new ATOM 0 HD3 ARG A 769 7.246 4.823 -14.704 1.00 0.00 H new ATOM 0 HE ARG A 769 7.292 7.730 -15.070 1.00 0.00 H new ATOM 0 HH11 ARG A 769 6.644 4.593 -16.553 1.00 0.00 H new ATOM 0 HH12 ARG A 769 5.542 5.262 -17.761 1.00 0.00 H new ATOM 0 HH21 ARG A 769 5.874 8.582 -16.624 1.00 0.00 H new ATOM 0 HH22 ARG A 769 5.108 7.511 -17.801 1.00 0.00 H new ATOM 432 N GLY A 770 6.122 3.739 -12.854 1.00 0.00 N ATOM 433 CA GLY A 770 5.086 3.174 -13.699 1.00 0.00 C ATOM 434 C GLY A 770 4.422 1.965 -13.072 1.00 0.00 C ATOM 435 O GLY A 770 3.267 1.659 -13.369 1.00 0.00 O ATOM 0 H GLY A 770 5.809 4.484 -12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.332 3.934 -13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.519 2.890 -14.658 1.00 0.00 H new ATOM 439 N ASP A 771 5.152 1.276 -12.202 1.00 0.00 N ATOM 440 CA ASP A 771 4.627 0.092 -11.531 1.00 0.00 C ATOM 441 C ASP A 771 3.339 0.419 -10.782 1.00 0.00 C ATOM 442 O ASP A 771 3.354 1.147 -9.789 1.00 0.00 O ATOM 443 CB ASP A 771 5.665 -0.475 -10.563 1.00 0.00 C ATOM 444 CG ASP A 771 6.863 -1.067 -11.279 1.00 0.00 C ATOM 445 OD1 ASP A 771 7.236 -0.539 -12.348 1.00 0.00 O ATOM 446 OD2 ASP A 771 7.428 -2.058 -10.771 1.00 0.00 O ATOM 0 H ASP A 771 6.109 1.517 -11.945 1.00 0.00 H new ATOM 0 HA ASP A 771 4.404 -0.657 -12.291 1.00 0.00 H new ATOM 0 HB2 ASP A 771 6.001 0.315 -9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 771 5.200 -1.242 -9.945 1.00 0.00 H new ATOM 451 N VAL A 772 2.225 -0.123 -11.264 1.00 0.00 N ATOM 452 CA VAL A 772 0.928 0.111 -10.640 1.00 0.00 C ATOM 453 C VAL A 772 0.790 -0.683 -9.346 1.00 0.00 C ATOM 454 O VAL A 772 1.234 -1.829 -9.257 1.00 0.00 O ATOM 455 CB VAL A 772 -0.226 -0.266 -11.587 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.566 0.105 -10.969 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.048 0.409 -12.938 1.00 0.00 C ATOM 0 H VAL A 772 2.195 -0.727 -12.085 1.00 0.00 H new ATOM 0 HA VAL A 772 0.871 1.176 -10.417 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.210 -1.345 -11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.370 -0.169 -11.652 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.693 -0.429 -10.027 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.597 1.179 -10.784 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -0.872 0.132 -13.595 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.038 1.491 -12.806 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.894 0.089 -13.383 1.00 0.00 H new ATOM 467 N LEU A 773 0.171 -0.068 -8.344 1.00 0.00 N ATOM 468 CA LEU A 773 -0.027 -0.718 -7.053 1.00 0.00 C ATOM 469 C LEU A 773 -1.439 -0.472 -6.531 1.00 0.00 C ATOM 470 O LEU A 773 -1.952 0.645 -6.602 1.00 0.00 O ATOM 471 CB LEU A 773 0.999 -0.208 -6.040 1.00 0.00 C ATOM 472 CG LEU A 773 2.345 0.237 -6.615 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.956 1.333 -5.755 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.294 -0.947 -6.727 1.00 0.00 C ATOM 0 H LEU A 773 -0.202 0.880 -8.401 1.00 0.00 H new ATOM 0 HA LEU A 773 0.109 -1.791 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.561 0.632 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.181 -0.996 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 773 2.177 0.639 -7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.913 1.637 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.283 2.190 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.110 0.958 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.247 -0.612 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.456 -1.378 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.860 -1.700 -7.385 1.00 0.00 H new ATOM 486 N ARG A 774 -2.061 -1.522 -6.005 1.00 0.00 N ATOM 487 CA ARG A 774 -3.413 -1.420 -5.469 1.00 0.00 C ATOM 488 C ARG A 774 -3.386 -1.024 -3.996 1.00 0.00 C ATOM 489 O ARG A 774 -2.759 -1.693 -3.174 1.00 0.00 O ATOM 490 CB ARG A 774 -4.153 -2.748 -5.638 1.00 0.00 C ATOM 491 CG ARG A 774 -4.612 -3.013 -7.062 1.00 0.00 C ATOM 492 CD ARG A 774 -5.107 -4.441 -7.232 1.00 0.00 C ATOM 493 NE ARG A 774 -6.406 -4.649 -6.597 1.00 0.00 N ATOM 494 CZ ARG A 774 -7.258 -5.601 -6.960 1.00 0.00 C ATOM 495 NH1 ARG A 774 -6.949 -6.429 -7.949 1.00 0.00 N ATOM 496 NH2 ARG A 774 -8.421 -5.727 -6.334 1.00 0.00 N ATOM 0 H ARG A 774 -1.650 -2.453 -5.939 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.940 -0.645 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.501 -3.561 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -5.020 -2.757 -4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.409 -2.317 -7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -3.788 -2.828 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -5.181 -4.675 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -4.379 -5.130 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 774 -6.673 -4.029 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -6.056 -6.335 -8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -7.605 -7.159 -8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -8.662 -5.092 -5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -9.074 -6.459 -6.614 1.00 0.00 H new ATOM 510 N LEU A 775 -4.070 0.067 -3.669 1.00 0.00 N ATOM 511 CA LEU A 775 -4.124 0.553 -2.295 1.00 0.00 C ATOM 512 C LEU A 775 -5.234 -0.143 -1.514 1.00 0.00 C ATOM 513 O LEU A 775 -6.410 0.198 -1.648 1.00 0.00 O ATOM 514 CB LEU A 775 -4.345 2.067 -2.277 1.00 0.00 C ATOM 515 CG LEU A 775 -3.405 2.893 -3.156 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.621 4.379 -2.919 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.956 2.513 -2.891 1.00 0.00 C ATOM 0 H LEU A 775 -4.595 0.632 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.171 0.325 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.370 2.268 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.249 2.416 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.631 2.677 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.943 4.951 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.651 4.640 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.423 4.613 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.301 3.111 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.717 2.700 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.811 1.456 -3.114 1.00 0.00 H new ATOM 529 N HIS A 776 -4.853 -1.120 -0.697 1.00 0.00 N ATOM 530 CA HIS A 776 -5.816 -1.864 0.107 1.00 0.00 C ATOM 531 C HIS A 776 -6.489 -0.952 1.129 1.00 0.00 C ATOM 532 O HIS A 776 -7.714 -0.929 1.242 1.00 0.00 O ATOM 533 CB HIS A 776 -5.127 -3.027 0.821 1.00 0.00 C ATOM 534 CG HIS A 776 -4.500 -4.016 -0.113 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.106 -5.277 0.280 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.202 -3.923 -1.430 1.00 0.00 C ATOM 537 CE1 HIS A 776 -3.590 -5.917 -0.754 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.637 -5.118 -1.805 1.00 0.00 N ATOM 0 H HIS A 776 -3.884 -1.415 -0.574 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.581 -2.260 -0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.360 -2.631 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -5.856 -3.542 1.446 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -4.198 -5.657 1.222 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.376 -3.069 -2.067 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.197 -6.923 -0.742 1.00 0.00 H new ATOM 546 N GLU A 777 -5.679 -0.202 1.870 1.00 0.00 N ATOM 547 CA GLU A 777 -6.197 0.710 2.883 1.00 0.00 C ATOM 548 C GLU A 777 -5.211 1.844 3.150 1.00 0.00 C ATOM 549 O GLU A 777 -4.021 1.728 2.856 1.00 0.00 O ATOM 550 CB GLU A 777 -6.486 -0.046 4.182 1.00 0.00 C ATOM 551 CG GLU A 777 -7.607 0.566 5.006 1.00 0.00 C ATOM 552 CD GLU A 777 -7.596 0.094 6.447 1.00 0.00 C ATOM 553 OE1 GLU A 777 -6.502 -0.217 6.962 1.00 0.00 O ATOM 554 OE2 GLU A 777 -8.683 0.035 7.059 1.00 0.00 O ATOM 0 H GLU A 777 -4.662 -0.208 1.788 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.125 1.140 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -6.744 -1.078 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -5.578 -0.076 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.519 1.652 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.566 0.314 4.552 1.00 0.00 H new ATOM 561 N ARG A 778 -5.716 2.939 3.709 1.00 0.00 N ATOM 562 CA ARG A 778 -4.881 4.095 4.014 1.00 0.00 C ATOM 563 C ARG A 778 -4.034 3.841 5.258 1.00 0.00 C ATOM 564 O ARG A 778 -4.370 4.292 6.352 1.00 0.00 O ATOM 565 CB ARG A 778 -5.748 5.337 4.219 1.00 0.00 C ATOM 566 CG ARG A 778 -4.947 6.606 4.463 1.00 0.00 C ATOM 567 CD ARG A 778 -4.468 7.221 3.157 1.00 0.00 C ATOM 568 NE ARG A 778 -5.431 8.176 2.615 1.00 0.00 N ATOM 569 CZ ARG A 778 -5.602 9.401 3.098 1.00 0.00 C ATOM 570 NH1 ARG A 778 -4.877 9.819 4.127 1.00 0.00 N ATOM 571 NH2 ARG A 778 -6.498 10.213 2.551 1.00 0.00 N ATOM 0 H ARG A 778 -6.698 3.050 3.960 1.00 0.00 H new ATOM 0 HA ARG A 778 -4.213 4.262 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -6.378 5.479 3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.414 5.169 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.561 7.327 5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -4.089 6.380 5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -3.514 7.722 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.292 6.431 2.427 1.00 0.00 H new ATOM 0 HE ARG A 778 -6.003 7.886 1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -4.186 9.199 4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -5.010 10.761 4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -7.057 9.896 1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -6.628 11.154 2.923 1.00 0.00 H new ATOM 585 N ALA A 779 -2.935 3.115 5.081 1.00 0.00 N ATOM 586 CA ALA A 779 -2.040 2.802 6.188 1.00 0.00 C ATOM 587 C ALA A 779 -1.799 4.028 7.062 1.00 0.00 C ATOM 588 O ALA A 779 -2.122 4.028 8.250 1.00 0.00 O ATOM 589 CB ALA A 779 -0.720 2.258 5.662 1.00 0.00 C ATOM 0 H ALA A 779 -2.643 2.733 4.182 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.516 2.038 6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.061 2.029 6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.904 1.351 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.248 3.004 5.023 1.00 0.00 H new ATOM 595 N SER A 780 -1.228 5.070 6.467 1.00 0.00 N ATOM 596 CA SER A 780 -0.939 6.301 7.193 1.00 0.00 C ATOM 597 C SER A 780 -1.220 7.523 6.323 1.00 0.00 C ATOM 598 O SER A 780 -1.684 7.399 5.190 1.00 0.00 O ATOM 599 CB SER A 780 0.518 6.315 7.657 1.00 0.00 C ATOM 600 OG SER A 780 0.688 7.160 8.782 1.00 0.00 O ATOM 0 H SER A 780 -0.956 5.086 5.484 1.00 0.00 H new ATOM 0 HA SER A 780 -1.590 6.340 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 780 0.832 5.302 7.909 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.159 6.655 6.843 1.00 0.00 H new ATOM 0 HG SER A 780 1.628 7.150 9.060 1.00 0.00 H new ATOM 606 N SER A 781 -0.934 8.704 6.863 1.00 0.00 N ATOM 607 CA SER A 781 -1.158 9.950 6.139 1.00 0.00 C ATOM 608 C SER A 781 -0.122 10.130 5.034 1.00 0.00 C ATOM 609 O SER A 781 -0.347 10.863 4.071 1.00 0.00 O ATOM 610 CB SER A 781 -1.108 11.139 7.101 1.00 0.00 C ATOM 611 OG SER A 781 0.155 11.228 7.736 1.00 0.00 O ATOM 0 H SER A 781 -0.547 8.824 7.799 1.00 0.00 H new ATOM 0 HA SER A 781 -2.146 9.904 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 781 -1.310 12.061 6.556 1.00 0.00 H new ATOM 0 HB3 SER A 781 -1.890 11.036 7.853 1.00 0.00 H new ATOM 0 HG SER A 781 0.162 11.996 8.344 1.00 0.00 H new ATOM 617 N ASP A 782 1.014 9.457 5.182 1.00 0.00 N ATOM 618 CA ASP A 782 2.086 9.542 4.197 1.00 0.00 C ATOM 619 C ASP A 782 2.382 8.170 3.598 1.00 0.00 C ATOM 620 O ASP A 782 3.076 8.061 2.587 1.00 0.00 O ATOM 621 CB ASP A 782 3.351 10.117 4.836 1.00 0.00 C ATOM 622 CG ASP A 782 3.310 11.629 4.940 1.00 0.00 C ATOM 623 OD1 ASP A 782 3.375 12.298 3.888 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.214 12.143 6.074 1.00 0.00 O ATOM 0 H ASP A 782 1.216 8.847 5.974 1.00 0.00 H new ATOM 0 HA ASP A 782 1.759 10.206 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.478 9.690 5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.219 9.819 4.248 1.00 0.00 H new ATOM 629 N TRP A 783 1.853 7.128 4.229 1.00 0.00 N ATOM 630 CA TRP A 783 2.062 5.764 3.758 1.00 0.00 C ATOM 631 C TRP A 783 0.738 5.110 3.378 1.00 0.00 C ATOM 632 O TRP A 783 -0.332 5.602 3.735 1.00 0.00 O ATOM 633 CB TRP A 783 2.765 4.934 4.834 1.00 0.00 C ATOM 634 CG TRP A 783 4.197 5.321 5.042 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.678 6.230 5.941 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.334 4.813 4.336 1.00 0.00 C ATOM 637 NE1 TRP A 783 6.045 6.317 5.836 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.472 5.457 4.859 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.502 3.874 3.314 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.757 5.193 4.393 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.778 3.613 2.853 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.892 4.269 3.392 1.00 0.00 C ATOM 0 H TRP A 783 1.277 7.201 5.067 1.00 0.00 H new ATOM 0 HA TRP A 783 2.693 5.805 2.870 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.227 5.042 5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.717 3.880 4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 783 4.073 6.797 6.633 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.645 6.924 6.395 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.650 3.362 2.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.617 5.699 4.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.919 2.890 2.063 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.876 4.041 3.011 1.00 0.00 H new ATOM 653 N TRP A 784 0.819 4.000 2.653 1.00 0.00 N ATOM 654 CA TRP A 784 -0.375 3.280 2.225 1.00 0.00 C ATOM 655 C TRP A 784 -0.183 1.774 2.369 1.00 0.00 C ATOM 656 O TRP A 784 0.941 1.294 2.522 1.00 0.00 O ATOM 657 CB TRP A 784 -0.712 3.627 0.774 1.00 0.00 C ATOM 658 CG TRP A 784 -1.188 5.037 0.595 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.415 6.162 0.542 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.544 5.472 0.449 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.209 7.270 0.372 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.518 6.874 0.310 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.776 4.815 0.419 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.678 7.626 0.146 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -4.926 5.563 0.256 1.00 0.00 C ATOM 666 CH2 TRP A 784 -4.871 6.956 0.121 1.00 0.00 C ATOM 0 H TRP A 784 1.697 3.580 2.350 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.202 3.585 2.866 1.00 0.00 H new ATOM 0 HB2 TRP A 784 0.171 3.468 0.156 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.481 2.943 0.414 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.662 6.178 0.622 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -0.877 8.232 0.303 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -3.829 3.741 0.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.638 8.700 0.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -5.884 5.065 0.232 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.788 7.512 -0.005 1.00 0.00 H new ATOM 677 N ARG A 785 -1.285 1.033 2.319 1.00 0.00 N ATOM 678 CA ARG A 785 -1.237 -0.418 2.445 1.00 0.00 C ATOM 679 C ARG A 785 -1.753 -1.092 1.177 1.00 0.00 C ATOM 680 O ARG A 785 -2.928 -0.972 0.832 1.00 0.00 O ATOM 681 CB ARG A 785 -2.062 -0.875 3.649 1.00 0.00 C ATOM 682 CG ARG A 785 -1.276 -0.906 4.950 1.00 0.00 C ATOM 683 CD ARG A 785 -0.597 -2.251 5.159 1.00 0.00 C ATOM 684 NE ARG A 785 -1.562 -3.344 5.238 1.00 0.00 N ATOM 685 CZ ARG A 785 -1.262 -4.558 5.684 1.00 0.00 C ATOM 686 NH1 ARG A 785 -0.031 -4.833 6.091 1.00 0.00 N ATOM 687 NH2 ARG A 785 -2.196 -5.501 5.726 1.00 0.00 N ATOM 0 H ARG A 785 -2.222 1.414 2.192 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.197 -0.709 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -2.917 -0.209 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.459 -1.871 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.525 -0.116 4.942 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.945 -0.701 5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 785 0.097 -2.438 4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -0.007 -2.221 6.075 1.00 0.00 H new ATOM 0 HE ARG A 785 -2.519 -3.165 4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 785 0.689 -4.111 6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 785 0.196 -5.767 6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -3.145 -5.293 5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -1.964 -6.433 6.069 1.00 0.00 H new ATOM 701 N GLY A 786 -0.865 -1.800 0.485 1.00 0.00 N ATOM 702 CA GLY A 786 -1.250 -2.481 -0.737 1.00 0.00 C ATOM 703 C GLY A 786 -0.400 -3.706 -1.010 1.00 0.00 C ATOM 704 O GLY A 786 0.471 -4.055 -0.214 1.00 0.00 O ATOM 0 H GLY A 786 0.114 -1.914 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.297 -2.777 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -1.167 -1.790 -1.576 1.00 0.00 H new ATOM 708 N GLU A 787 -0.655 -4.363 -2.138 1.00 0.00 N ATOM 709 CA GLU A 787 0.092 -5.558 -2.511 1.00 0.00 C ATOM 710 C GLU A 787 0.555 -5.479 -3.963 1.00 0.00 C ATOM 711 O GLU A 787 -0.255 -5.321 -4.877 1.00 0.00 O ATOM 712 CB GLU A 787 -0.766 -6.808 -2.305 1.00 0.00 C ATOM 713 CG GLU A 787 -0.416 -7.948 -3.246 1.00 0.00 C ATOM 714 CD GLU A 787 -1.373 -9.118 -3.126 1.00 0.00 C ATOM 715 OE1 GLU A 787 -1.897 -9.343 -2.014 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.597 -9.809 -4.141 1.00 0.00 O ATOM 0 H GLU A 787 -1.373 -4.088 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 787 0.971 -5.620 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.654 -7.150 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.815 -6.545 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.423 -7.582 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.598 -8.289 -3.036 1.00 0.00 H new ATOM 723 N HIS A 788 1.864 -5.590 -4.168 1.00 0.00 N ATOM 724 CA HIS A 788 2.435 -5.531 -5.509 1.00 0.00 C ATOM 725 C HIS A 788 2.278 -6.869 -6.225 1.00 0.00 C ATOM 726 O HIS A 788 1.676 -7.801 -5.694 1.00 0.00 O ATOM 727 CB HIS A 788 3.914 -5.147 -5.439 1.00 0.00 C ATOM 728 CG HIS A 788 4.389 -4.374 -6.630 1.00 0.00 C ATOM 729 ND1 HIS A 788 3.541 -3.916 -7.617 1.00 0.00 N ATOM 730 CD2 HIS A 788 5.631 -3.977 -6.990 1.00 0.00 C ATOM 731 CE1 HIS A 788 4.242 -3.272 -8.533 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.514 -3.294 -8.176 1.00 0.00 N ATOM 0 H HIS A 788 2.549 -5.721 -3.423 1.00 0.00 H new ATOM 0 HA HIS A 788 1.896 -4.771 -6.074 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.085 -4.555 -4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.512 -6.053 -5.342 1.00 0.00 H new ATOM 0 HD2 HIS A 788 6.545 -4.163 -6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 788 3.843 -2.807 -9.422 1.00 0.00 H new ATOM 0 HE2 HIS A 788 6.284 -2.873 -8.696 1.00 0.00 H new ATOM 740 N ASN A 789 2.823 -6.954 -7.435 1.00 0.00 N ATOM 741 CA ASN A 789 2.741 -8.177 -8.225 1.00 0.00 C ATOM 742 C ASN A 789 3.529 -9.305 -7.565 1.00 0.00 C ATOM 743 O ASN A 789 4.595 -9.693 -8.042 1.00 0.00 O ATOM 744 CB ASN A 789 3.268 -7.931 -9.640 1.00 0.00 C ATOM 745 CG ASN A 789 2.415 -6.943 -10.411 1.00 0.00 C ATOM 746 OD1 ASN A 789 1.552 -6.275 -9.842 1.00 0.00 O ATOM 747 ND2 ASN A 789 2.654 -6.846 -11.714 1.00 0.00 N ATOM 0 H ASN A 789 3.325 -6.191 -7.889 1.00 0.00 H new ATOM 0 HA ASN A 789 1.694 -8.474 -8.281 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.291 -7.558 -9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 789 3.303 -8.876 -10.181 1.00 0.00 H new ATOM 0 HD21 ASN A 789 2.112 -6.198 -12.285 1.00 0.00 H new ATOM 0 HD22 ASN A 789 3.380 -7.420 -12.143 1.00 0.00 H new ATOM 754 N GLY A 790 2.997 -9.826 -6.464 1.00 0.00 N ATOM 755 CA GLY A 790 3.663 -10.904 -5.757 1.00 0.00 C ATOM 756 C GLY A 790 4.214 -10.464 -4.415 1.00 0.00 C ATOM 757 O GLY A 790 4.581 -11.294 -3.585 1.00 0.00 O ATOM 0 H GLY A 790 2.117 -9.521 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.961 -11.724 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.477 -11.289 -6.372 1.00 0.00 H new ATOM 761 N MET A 791 4.274 -9.153 -4.203 1.00 0.00 N ATOM 762 CA MET A 791 4.786 -8.604 -2.953 1.00 0.00 C ATOM 763 C MET A 791 3.666 -7.954 -2.146 1.00 0.00 C ATOM 764 O MET A 791 2.633 -7.572 -2.697 1.00 0.00 O ATOM 765 CB MET A 791 5.888 -7.581 -3.233 1.00 0.00 C ATOM 766 CG MET A 791 7.282 -8.185 -3.272 1.00 0.00 C ATOM 767 SD MET A 791 8.053 -8.260 -1.644 1.00 0.00 S ATOM 768 CE MET A 791 7.424 -9.825 -1.042 1.00 0.00 C ATOM 0 H MET A 791 3.975 -8.452 -4.880 1.00 0.00 H new ATOM 0 HA MET A 791 5.203 -9.425 -2.369 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.686 -7.093 -4.186 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.858 -6.807 -2.466 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.227 -9.190 -3.690 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.910 -7.596 -3.940 1.00 0.00 H new ATOM 0 HE1 MET A 791 8.157 -10.280 -0.376 1.00 0.00 H new ATOM 0 HE2 MET A 791 6.494 -9.658 -0.498 1.00 0.00 H new ATOM 0 HE3 MET A 791 7.237 -10.490 -1.885 1.00 0.00 H new ATOM 778 N ARG A 792 3.877 -7.833 -0.840 1.00 0.00 N ATOM 779 CA ARG A 792 2.884 -7.230 0.042 1.00 0.00 C ATOM 780 C ARG A 792 3.555 -6.366 1.105 1.00 0.00 C ATOM 781 O ARG A 792 4.562 -6.757 1.694 1.00 0.00 O ATOM 782 CB ARG A 792 2.040 -8.316 0.710 1.00 0.00 C ATOM 783 CG ARG A 792 1.227 -9.145 -0.270 1.00 0.00 C ATOM 784 CD ARG A 792 0.046 -9.818 0.413 1.00 0.00 C ATOM 785 NE ARG A 792 -0.839 -8.850 1.055 1.00 0.00 N ATOM 786 CZ ARG A 792 -1.679 -9.160 2.036 1.00 0.00 C ATOM 787 NH1 ARG A 792 -1.748 -10.405 2.486 1.00 0.00 N ATOM 788 NH2 ARG A 792 -2.453 -8.223 2.569 1.00 0.00 N ATOM 0 H ARG A 792 4.726 -8.144 -0.369 1.00 0.00 H new ATOM 0 HA ARG A 792 2.236 -6.595 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.696 -8.978 1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 792 1.364 -7.849 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.866 -8.506 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.866 -9.902 -0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.518 -10.393 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 792 0.412 -10.524 1.158 1.00 0.00 H new ATOM 0 HE ARG A 792 -0.811 -7.883 0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -1.155 -11.128 2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -2.394 -10.640 3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 792 -2.403 -7.264 2.225 1.00 0.00 H new ATOM 0 HH22 ARG A 792 -3.098 -8.462 3.322 1.00 0.00 H new ATOM 802 N GLY A 793 2.989 -5.187 1.346 1.00 0.00 N ATOM 803 CA GLY A 793 3.546 -4.285 2.338 1.00 0.00 C ATOM 804 C GLY A 793 2.994 -2.879 2.217 1.00 0.00 C ATOM 805 O GLY A 793 1.951 -2.664 1.597 1.00 0.00 O ATOM 0 H GLY A 793 2.155 -4.840 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.334 -4.671 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.630 -4.257 2.231 1.00 0.00 H new ATOM 809 N LEU A 794 3.692 -1.918 2.812 1.00 0.00 N ATOM 810 CA LEU A 794 3.265 -0.524 2.770 1.00 0.00 C ATOM 811 C LEU A 794 3.568 0.098 1.411 1.00 0.00 C ATOM 812 O LEU A 794 4.117 -0.558 0.526 1.00 0.00 O ATOM 813 CB LEU A 794 3.957 0.276 3.876 1.00 0.00 C ATOM 814 CG LEU A 794 3.709 -0.205 5.306 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.907 0.109 6.189 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.447 0.431 5.872 1.00 0.00 C ATOM 0 H LEU A 794 4.556 -2.079 3.329 1.00 0.00 H new ATOM 0 HA LEU A 794 2.187 -0.495 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 794 5.031 0.262 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.635 1.315 3.802 1.00 0.00 H new ATOM 0 HG LEU A 794 3.570 -1.286 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.713 -0.240 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.791 -0.393 5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 794 5.077 1.186 6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 794 2.286 0.077 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.557 1.515 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.592 0.157 5.254 1.00 0.00 H new ATOM 828 N ILE A 795 3.211 1.368 1.254 1.00 0.00 N ATOM 829 CA ILE A 795 3.448 2.080 0.004 1.00 0.00 C ATOM 830 C ILE A 795 3.649 3.571 0.250 1.00 0.00 C ATOM 831 O ILE A 795 2.850 4.229 0.917 1.00 0.00 O ATOM 832 CB ILE A 795 2.283 1.886 -0.984 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.331 0.485 -1.595 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.330 2.947 -2.073 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.123 0.153 -2.443 1.00 0.00 C ATOM 0 H ILE A 795 2.756 1.926 1.977 1.00 0.00 H new ATOM 0 HA ILE A 795 4.355 1.661 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 795 1.344 1.992 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.229 0.395 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.415 -0.249 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.500 2.797 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.251 3.936 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.272 2.870 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.226 -0.856 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.222 0.211 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.049 0.864 -3.266 1.00 0.00 H new ATOM 847 N PRO A 796 4.741 4.120 -0.302 1.00 0.00 N ATOM 848 CA PRO A 796 5.072 5.541 -0.158 1.00 0.00 C ATOM 849 C PRO A 796 4.111 6.440 -0.928 1.00 0.00 C ATOM 850 O PRO A 796 4.007 6.352 -2.152 1.00 0.00 O ATOM 851 CB PRO A 796 6.482 5.638 -0.746 1.00 0.00 C ATOM 852 CG PRO A 796 6.574 4.497 -1.699 1.00 0.00 C ATOM 853 CD PRO A 796 5.737 3.396 -1.109 1.00 0.00 C ATOM 0 HA PRO A 796 5.004 5.873 0.878 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.635 6.591 -1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.241 5.566 0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.206 4.781 -2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.608 4.176 -1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.264 2.792 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.335 2.720 -0.498 1.00 0.00 H new ATOM 861 N HIS A 797 3.409 7.306 -0.204 1.00 0.00 N ATOM 862 CA HIS A 797 2.456 8.223 -0.820 1.00 0.00 C ATOM 863 C HIS A 797 3.179 9.287 -1.640 1.00 0.00 C ATOM 864 O HIS A 797 2.582 9.936 -2.499 1.00 0.00 O ATOM 865 CB HIS A 797 1.592 8.889 0.251 1.00 0.00 C ATOM 866 CG HIS A 797 0.700 9.967 -0.284 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.677 9.902 -0.227 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.995 11.142 -0.887 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.189 10.990 -0.773 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.196 11.759 -1.182 1.00 0.00 N ATOM 0 H HIS A 797 3.482 7.392 0.810 1.00 0.00 H new ATOM 0 HA HIS A 797 1.815 7.647 -1.488 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.979 8.129 0.736 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.241 9.313 1.018 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.983 11.524 -1.097 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.241 11.213 -0.869 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.297 12.664 -1.642 1.00 0.00 H new ATOM 878 N LYS A 798 4.468 9.462 -1.369 1.00 0.00 N ATOM 879 CA LYS A 798 5.274 10.446 -2.082 1.00 0.00 C ATOM 880 C LYS A 798 5.673 9.928 -3.460 1.00 0.00 C ATOM 881 O LYS A 798 5.782 10.697 -4.415 1.00 0.00 O ATOM 882 CB LYS A 798 6.526 10.793 -1.273 1.00 0.00 C ATOM 883 CG LYS A 798 7.022 9.652 -0.401 1.00 0.00 C ATOM 884 CD LYS A 798 8.511 9.769 -0.124 1.00 0.00 C ATOM 885 CE LYS A 798 8.781 10.568 1.143 1.00 0.00 C ATOM 886 NZ LYS A 798 8.637 9.732 2.367 1.00 0.00 N ATOM 0 H LYS A 798 4.977 8.935 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 798 4.672 11.346 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 798 7.321 11.088 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.313 11.656 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 798 6.475 9.649 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 798 6.816 8.701 -0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 798 8.943 8.773 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 798 9.003 10.249 -0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 798 9.788 10.983 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.091 11.410 1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 8.829 10.312 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 7.669 9.356 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 9.313 8.942 2.330 1.00 0.00 H new ATOM 900 N TYR A 799 5.888 8.621 -3.556 1.00 0.00 N ATOM 901 CA TYR A 799 6.276 8.000 -4.817 1.00 0.00 C ATOM 902 C TYR A 799 5.059 7.439 -5.545 1.00 0.00 C ATOM 903 O TYR A 799 5.101 6.336 -6.090 1.00 0.00 O ATOM 904 CB TYR A 799 7.294 6.886 -4.569 1.00 0.00 C ATOM 905 CG TYR A 799 8.679 7.394 -4.238 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.921 8.093 -3.062 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.746 7.176 -5.101 1.00 0.00 C ATOM 908 CE1 TYR A 799 10.185 8.560 -2.755 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.013 7.638 -4.802 1.00 0.00 C ATOM 910 CZ TYR A 799 11.227 8.329 -3.628 1.00 0.00 C ATOM 911 OH TYR A 799 12.488 8.792 -3.327 1.00 0.00 O ATOM 0 H TYR A 799 5.800 7.970 -2.775 1.00 0.00 H new ATOM 0 HA TYR A 799 6.731 8.766 -5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.941 6.258 -3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.350 6.253 -5.455 1.00 0.00 H new ATOM 0 HD1 TYR A 799 8.107 8.275 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.582 6.636 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 799 10.356 9.103 -1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 799 11.831 7.459 -5.484 1.00 0.00 H new ATOM 0 HH TYR A 799 13.107 8.545 -4.045 1.00 0.00 H new ATOM 921 N ILE A 800 3.975 8.208 -5.550 1.00 0.00 N ATOM 922 CA ILE A 800 2.745 7.790 -6.213 1.00 0.00 C ATOM 923 C ILE A 800 1.848 8.985 -6.512 1.00 0.00 C ATOM 924 O ILE A 800 1.901 10.005 -5.822 1.00 0.00 O ATOM 925 CB ILE A 800 1.963 6.775 -5.358 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.592 7.391 -4.008 1.00 0.00 C ATOM 927 CG2 ILE A 800 2.779 5.507 -5.161 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.438 6.694 -3.321 1.00 0.00 C ATOM 0 H ILE A 800 3.923 9.123 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 800 3.036 7.316 -7.150 1.00 0.00 H new ATOM 0 HB ILE A 800 1.044 6.514 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 800 2.463 7.364 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 800 1.336 8.440 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.212 4.800 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 800 2.997 5.060 -6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.714 5.751 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.231 7.185 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 800 -0.447 6.744 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 800 0.698 5.651 -3.142 1.00 0.00 H new ATOM 940 N THR A 801 1.020 8.854 -7.544 1.00 0.00 N ATOM 941 CA THR A 801 0.109 9.923 -7.934 1.00 0.00 C ATOM 942 C THR A 801 -1.339 9.447 -7.909 1.00 0.00 C ATOM 943 O THR A 801 -1.852 8.936 -8.905 1.00 0.00 O ATOM 944 CB THR A 801 0.439 10.455 -9.341 1.00 0.00 C ATOM 945 OG1 THR A 801 1.720 11.094 -9.336 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.622 11.440 -9.809 1.00 0.00 C ATOM 0 H THR A 801 0.962 8.018 -8.125 1.00 0.00 H new ATOM 0 HA THR A 801 0.236 10.728 -7.210 1.00 0.00 H new ATOM 0 HB THR A 801 0.458 9.610 -10.029 1.00 0.00 H new ATOM 0 HG1 THR A 801 1.923 11.428 -10.235 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.368 11.802 -10.805 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.592 10.943 -9.840 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.668 12.281 -9.117 1.00 0.00 H new ATOM 954 N LEU A 802 -1.994 9.620 -6.767 1.00 0.00 N ATOM 955 CA LEU A 802 -3.385 9.209 -6.612 1.00 0.00 C ATOM 956 C LEU A 802 -4.208 9.606 -7.833 1.00 0.00 C ATOM 957 O LEU A 802 -3.881 10.548 -8.555 1.00 0.00 O ATOM 958 CB LEU A 802 -3.986 9.836 -5.353 1.00 0.00 C ATOM 959 CG LEU A 802 -3.535 9.232 -4.022 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.256 9.900 -2.861 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.777 7.730 -4.009 1.00 0.00 C ATOM 0 H LEU A 802 -1.584 10.042 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.409 8.123 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.742 10.898 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.071 9.758 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.465 9.409 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.922 9.457 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -4.032 10.967 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.331 9.755 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.450 7.317 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.840 7.532 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.214 7.264 -4.818 1.00 0.00 H new ATOM 973 N PRO A 803 -5.305 8.871 -8.071 1.00 0.00 N ATOM 974 CA PRO A 803 -6.200 9.129 -9.204 1.00 0.00 C ATOM 975 C PRO A 803 -6.985 10.426 -9.039 1.00 0.00 C ATOM 976 O PRO A 803 -7.040 11.250 -9.951 1.00 0.00 O ATOM 977 CB PRO A 803 -7.146 7.926 -9.189 1.00 0.00 C ATOM 978 CG PRO A 803 -7.139 7.456 -7.775 1.00 0.00 C ATOM 979 CD PRO A 803 -5.757 7.733 -7.253 1.00 0.00 C ATOM 0 HA PRO A 803 -5.651 9.246 -10.139 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.150 8.208 -9.508 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.804 7.145 -9.868 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.891 7.981 -7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.373 6.393 -7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.771 7.981 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -5.103 6.869 -7.370 1.00 0.00 H new ATOM 987 N ALA A 804 -7.590 10.601 -7.869 1.00 0.00 N ATOM 988 CA ALA A 804 -8.370 11.799 -7.584 1.00 0.00 C ATOM 989 C ALA A 804 -8.706 11.896 -6.099 1.00 0.00 C ATOM 990 O ALA A 804 -8.535 10.935 -5.351 1.00 0.00 O ATOM 991 CB ALA A 804 -9.643 11.811 -8.417 1.00 0.00 C ATOM 0 H ALA A 804 -7.555 9.928 -7.103 1.00 0.00 H new ATOM 0 HA ALA A 804 -7.767 12.667 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 804 -10.215 12.711 -8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 804 -9.385 11.798 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 804 -10.242 10.932 -8.179 1.00 0.00 H new ATOM 997 N GLY A 805 -9.184 13.063 -5.680 1.00 0.00 N ATOM 998 CA GLY A 805 -9.535 13.264 -4.286 1.00 0.00 C ATOM 999 C GLY A 805 -8.360 13.042 -3.354 1.00 0.00 C ATOM 1000 O GLY A 805 -8.435 12.234 -2.429 1.00 0.00 O ATOM 0 H GLY A 805 -9.335 13.873 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 805 -9.914 14.277 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 805 -10.342 12.583 -4.016 1.00 0.00 H new ATOM 1004 N THR A 806 -7.269 13.762 -3.599 1.00 0.00 N ATOM 1005 CA THR A 806 -6.072 13.639 -2.777 1.00 0.00 C ATOM 1006 C THR A 806 -6.168 14.513 -1.532 1.00 0.00 C ATOM 1007 O THR A 806 -5.989 14.035 -0.412 1.00 0.00 O ATOM 1008 CB THR A 806 -4.807 14.025 -3.566 1.00 0.00 C ATOM 1009 OG1 THR A 806 -4.893 15.390 -3.992 1.00 0.00 O ATOM 1010 CG2 THR A 806 -4.626 13.121 -4.776 1.00 0.00 C ATOM 0 H THR A 806 -7.190 14.436 -4.360 1.00 0.00 H new ATOM 0 HA THR A 806 -6.000 12.593 -2.478 1.00 0.00 H new ATOM 0 HB THR A 806 -3.945 13.903 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 806 -4.084 15.628 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 806 -3.726 13.413 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 806 -4.531 12.086 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 806 -5.491 13.215 -5.433 1.00 0.00 H new ATOM 1018 N GLU A 807 -6.451 15.796 -1.735 1.00 0.00 N ATOM 1019 CA GLU A 807 -6.570 16.736 -0.627 1.00 0.00 C ATOM 1020 C GLU A 807 -7.574 17.838 -0.954 1.00 0.00 C ATOM 1021 O GLU A 807 -7.880 18.089 -2.120 1.00 0.00 O ATOM 1022 CB GLU A 807 -5.207 17.352 -0.304 1.00 0.00 C ATOM 1023 CG GLU A 807 -4.279 16.415 0.450 1.00 0.00 C ATOM 1024 CD GLU A 807 -4.821 16.026 1.811 1.00 0.00 C ATOM 1025 OE1 GLU A 807 -4.805 16.882 2.722 1.00 0.00 O ATOM 1026 OE2 GLU A 807 -5.261 14.868 1.967 1.00 0.00 O ATOM 0 H GLU A 807 -6.602 16.208 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 807 -6.929 16.188 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 807 -4.726 17.656 -1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 807 -5.357 18.255 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 807 -4.118 15.515 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 807 -3.308 16.894 0.573 1.00 0.00 H new ATOM 1033 N LYS A 808 -8.084 18.492 0.084 1.00 0.00 N ATOM 1034 CA LYS A 808 -9.053 19.568 -0.090 1.00 0.00 C ATOM 1035 C LYS A 808 -8.352 20.917 -0.211 1.00 0.00 C ATOM 1036 O LYS A 808 -8.188 21.632 0.777 1.00 0.00 O ATOM 1037 CB LYS A 808 -10.033 19.594 1.085 1.00 0.00 C ATOM 1038 CG LYS A 808 -10.906 18.354 1.176 1.00 0.00 C ATOM 1039 CD LYS A 808 -11.762 18.366 2.432 1.00 0.00 C ATOM 1040 CE LYS A 808 -12.898 19.371 2.322 1.00 0.00 C ATOM 1041 NZ LYS A 808 -13.658 19.489 3.598 1.00 0.00 N ATOM 0 H LYS A 808 -7.842 18.296 1.055 1.00 0.00 H new ATOM 0 HA LYS A 808 -9.605 19.381 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 808 -9.472 19.702 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 808 -10.672 20.472 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 808 -11.548 18.295 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 808 -10.277 17.464 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 808 -12.171 17.370 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 808 -11.141 18.610 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 808 -12.495 20.346 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 808 -13.575 19.069 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 808 -14.424 20.183 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 808 -14.063 18.564 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 808 -13.018 19.802 4.356 1.00 0.00 H new ATOM 1055 N GLN A 809 -7.942 21.259 -1.428 1.00 0.00 N ATOM 1056 CA GLN A 809 -7.260 22.523 -1.677 1.00 0.00 C ATOM 1057 C GLN A 809 -8.050 23.385 -2.656 1.00 0.00 C ATOM 1058 O GLN A 809 -8.852 22.876 -3.439 1.00 0.00 O ATOM 1059 CB GLN A 809 -5.853 22.270 -2.222 1.00 0.00 C ATOM 1060 CG GLN A 809 -5.841 21.569 -3.571 1.00 0.00 C ATOM 1061 CD GLN A 809 -4.593 21.873 -4.376 1.00 0.00 C ATOM 1062 OE1 GLN A 809 -3.596 22.357 -3.838 1.00 0.00 O ATOM 1063 NE2 GLN A 809 -4.640 21.590 -5.672 1.00 0.00 N ATOM 0 H GLN A 809 -8.070 20.678 -2.257 1.00 0.00 H new ATOM 0 HA GLN A 809 -7.184 23.058 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -5.330 23.222 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -5.297 21.668 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -5.916 20.493 -3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -6.719 21.872 -4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -5.487 21.190 -6.076 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -3.829 21.773 -6.264 1.00 0.00 H new ATOM 1072 N VAL A 810 -7.818 24.693 -2.607 1.00 0.00 N ATOM 1073 CA VAL A 810 -8.507 25.625 -3.491 1.00 0.00 C ATOM 1074 C VAL A 810 -8.018 25.485 -4.928 1.00 0.00 C ATOM 1075 O VAL A 810 -6.956 25.994 -5.286 1.00 0.00 O ATOM 1076 CB VAL A 810 -8.310 27.083 -3.033 1.00 0.00 C ATOM 1077 CG1 VAL A 810 -8.995 28.042 -3.994 1.00 0.00 C ATOM 1078 CG2 VAL A 810 -8.831 27.271 -1.616 1.00 0.00 C ATOM 0 H VAL A 810 -7.158 25.131 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 810 -9.568 25.378 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 810 -7.243 27.305 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 810 -8.845 29.067 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 810 -8.569 27.924 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 810 -10.062 27.823 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 810 -8.684 28.306 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 810 -9.894 27.031 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 810 -8.289 26.611 -0.939 1.00 0.00 H new ATOM 1088 N VAL A 811 -8.800 24.791 -5.748 1.00 0.00 N ATOM 1089 CA VAL A 811 -8.448 24.584 -7.148 1.00 0.00 C ATOM 1090 C VAL A 811 -9.562 25.064 -8.071 1.00 0.00 C ATOM 1091 O VAL A 811 -9.305 25.529 -9.181 1.00 0.00 O ATOM 1092 CB VAL A 811 -8.158 23.100 -7.440 1.00 0.00 C ATOM 1093 CG1 VAL A 811 -9.383 22.248 -7.145 1.00 0.00 C ATOM 1094 CG2 VAL A 811 -7.708 22.919 -8.882 1.00 0.00 C ATOM 0 H VAL A 811 -9.682 24.362 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 811 -7.547 25.167 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 811 -7.350 22.771 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 811 -9.159 21.203 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 811 -9.656 22.355 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 811 -10.213 22.575 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 811 -7.507 21.864 -9.071 1.00 0.00 H new ATOM 0 HG22 VAL A 811 -8.493 23.265 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 811 -6.801 23.498 -9.055 1.00 0.00 H new ATOM 1104 N GLY A 812 -10.801 24.950 -7.604 1.00 0.00 N ATOM 1105 CA GLY A 812 -11.937 25.377 -8.401 1.00 0.00 C ATOM 1106 C GLY A 812 -12.544 24.242 -9.201 1.00 0.00 C ATOM 1107 O GLY A 812 -12.820 23.171 -8.661 1.00 0.00 O ATOM 0 H GLY A 812 -11.039 24.570 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 812 -12.697 25.802 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 812 -11.623 26.169 -9.081 1.00 0.00 H new ATOM 1111 N ALA A 813 -12.753 24.476 -10.493 1.00 0.00 N ATOM 1112 CA ALA A 813 -13.330 23.464 -11.369 1.00 0.00 C ATOM 1113 C ALA A 813 -12.722 22.093 -11.100 1.00 0.00 C ATOM 1114 O ALA A 813 -13.437 21.120 -10.863 1.00 0.00 O ATOM 1115 CB ALA A 813 -13.134 23.854 -12.826 1.00 0.00 C ATOM 0 H ALA A 813 -12.531 25.358 -10.956 1.00 0.00 H new ATOM 0 HA ALA A 813 -14.398 23.405 -11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 813 -13.570 23.089 -13.469 1.00 0.00 H new ATOM 0 HB2 ALA A 813 -13.623 24.810 -13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 813 -12.069 23.943 -13.039 1.00 0.00 H new ATOM 1121 N GLY A 814 -11.394 22.021 -11.138 1.00 0.00 N ATOM 1122 CA GLY A 814 -10.712 20.763 -10.897 1.00 0.00 C ATOM 1123 C GLY A 814 -9.893 20.310 -12.090 1.00 0.00 C ATOM 1124 O GLY A 814 -10.446 19.910 -13.114 1.00 0.00 O ATOM 0 H GLY A 814 -10.779 22.812 -11.331 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -10.059 20.867 -10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -11.447 19.996 -10.652 1.00 0.00 H new TER 1128 GLY A 814