USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 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 Set 1.1: A 788 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.3) USER MOD Set 1.2: A 791 MET CE :methyl -172:sc= 0 (180deg=-0.0648) USER MOD Single : A 740 SER OG : rot 180:sc= 0 USER MOD Single : A 741 SER OG : rot 180:sc= 0 USER MOD Single : A 743 SER OG : rot 180:sc= -0.0993 USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 754 CYS SG : rot 91:sc= -0.233 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 180:sc= -0.928 USER MOD Single : A 763 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 766 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 776 HIS : no HE2:sc= -3.17! K(o=-3.2!,f=-0.76) USER MOD Single : A 780 SER OG : rot 180:sc= 0 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 789 ASN : amide:sc=-0.000459 K(o=-0.00046,f=-0.82) USER MOD Single : A 797 HIS : no HD1:sc= -0.471 K(o=-0.47,f=-5!) 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 -140:sc= -0.157 USER MOD Single : A 808 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00512) USER MOD Single : A 809 GLN : amide:sc= -0.0366 K(o=-0.037,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 739 -25.096 5.873 -10.360 1.00 0.00 N ATOM 2 CA GLY A 739 -24.703 4.557 -9.891 1.00 0.00 C ATOM 3 C GLY A 739 -24.973 4.363 -8.412 1.00 0.00 C ATOM 4 O GLY A 739 -25.771 5.089 -7.820 1.00 0.00 O ATOM 0 HA2 GLY A 739 -25.241 3.797 -10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 739 -23.641 4.408 -10.086 1.00 0.00 H new ATOM 8 N SER A 740 -24.307 3.380 -7.814 1.00 0.00 N ATOM 9 CA SER A 740 -24.484 3.090 -6.396 1.00 0.00 C ATOM 10 C SER A 740 -23.248 2.401 -5.825 1.00 0.00 C ATOM 11 O SER A 740 -22.436 1.845 -6.564 1.00 0.00 O ATOM 12 CB SER A 740 -25.716 2.209 -6.184 1.00 0.00 C ATOM 13 OG SER A 740 -26.259 2.394 -4.888 1.00 0.00 O ATOM 0 H SER A 740 -23.640 2.772 -8.289 1.00 0.00 H new ATOM 0 HA SER A 740 -24.627 4.035 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 740 -26.470 2.446 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 740 -25.446 1.162 -6.323 1.00 0.00 H new ATOM 0 HG SER A 740 -27.046 1.821 -4.778 1.00 0.00 H new ATOM 19 N SER A 741 -23.113 2.443 -4.503 1.00 0.00 N ATOM 20 CA SER A 741 -21.975 1.826 -3.831 1.00 0.00 C ATOM 21 C SER A 741 -21.577 0.525 -4.520 1.00 0.00 C ATOM 22 O SER A 741 -22.351 -0.431 -4.561 1.00 0.00 O ATOM 23 CB SER A 741 -22.308 1.558 -2.362 1.00 0.00 C ATOM 24 OG SER A 741 -22.706 2.748 -1.704 1.00 0.00 O ATOM 0 H SER A 741 -23.777 2.898 -3.876 1.00 0.00 H new ATOM 0 HA SER A 741 -21.134 2.517 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 741 -23.106 0.818 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 741 -21.438 1.135 -1.860 1.00 0.00 H new ATOM 0 HG SER A 741 -22.915 2.550 -0.767 1.00 0.00 H new ATOM 30 N GLY A 742 -20.363 0.496 -5.061 1.00 0.00 N ATOM 31 CA GLY A 742 -19.881 -0.692 -5.742 1.00 0.00 C ATOM 32 C GLY A 742 -18.499 -0.501 -6.333 1.00 0.00 C ATOM 33 O GLY A 742 -17.673 0.223 -5.777 1.00 0.00 O ATOM 0 H GLY A 742 -19.704 1.274 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 742 -19.861 -1.526 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 742 -20.578 -0.960 -6.536 1.00 0.00 H new ATOM 37 N SER A 743 -18.244 -1.154 -7.462 1.00 0.00 N ATOM 38 CA SER A 743 -16.950 -1.058 -8.126 1.00 0.00 C ATOM 39 C SER A 743 -16.365 0.343 -7.975 1.00 0.00 C ATOM 40 O SER A 743 -15.289 0.520 -7.404 1.00 0.00 O ATOM 41 CB SER A 743 -17.086 -1.409 -9.609 1.00 0.00 C ATOM 42 OG SER A 743 -18.086 -0.619 -10.230 1.00 0.00 O ATOM 0 H SER A 743 -18.917 -1.756 -7.936 1.00 0.00 H new ATOM 0 HA SER A 743 -16.273 -1.769 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 743 -16.131 -1.254 -10.112 1.00 0.00 H new ATOM 0 HB3 SER A 743 -17.334 -2.465 -9.715 1.00 0.00 H new ATOM 0 HG SER A 743 -18.153 -0.861 -11.177 1.00 0.00 H new ATOM 48 N SER A 744 -17.082 1.336 -8.492 1.00 0.00 N ATOM 49 CA SER A 744 -16.633 2.722 -8.419 1.00 0.00 C ATOM 50 C SER A 744 -16.830 3.283 -7.014 1.00 0.00 C ATOM 51 O SER A 744 -17.869 3.073 -6.389 1.00 0.00 O ATOM 52 CB SER A 744 -17.392 3.579 -9.434 1.00 0.00 C ATOM 53 OG SER A 744 -16.793 4.857 -9.569 1.00 0.00 O ATOM 0 H SER A 744 -17.976 1.207 -8.966 1.00 0.00 H new ATOM 0 HA SER A 744 -15.569 2.747 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 744 -17.407 3.076 -10.401 1.00 0.00 H new ATOM 0 HB3 SER A 744 -18.429 3.691 -9.117 1.00 0.00 H new ATOM 0 HG SER A 744 -17.295 5.386 -10.224 1.00 0.00 H new ATOM 59 N GLY A 745 -15.823 3.998 -6.523 1.00 0.00 N ATOM 60 CA GLY A 745 -15.904 4.579 -5.195 1.00 0.00 C ATOM 61 C GLY A 745 -15.382 3.645 -4.121 1.00 0.00 C ATOM 62 O GLY A 745 -14.249 3.789 -3.662 1.00 0.00 O ATOM 0 H GLY A 745 -14.953 4.186 -7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 745 -15.334 5.508 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 745 -16.941 4.836 -4.977 1.00 0.00 H new ATOM 66 N GLU A 746 -16.211 2.687 -3.719 1.00 0.00 N ATOM 67 CA GLU A 746 -15.826 1.728 -2.690 1.00 0.00 C ATOM 68 C GLU A 746 -15.089 0.540 -3.301 1.00 0.00 C ATOM 69 O GLU A 746 -15.608 -0.136 -4.189 1.00 0.00 O ATOM 70 CB GLU A 746 -17.061 1.240 -1.929 1.00 0.00 C ATOM 71 CG GLU A 746 -16.730 0.478 -0.657 1.00 0.00 C ATOM 72 CD GLU A 746 -17.927 -0.265 -0.094 1.00 0.00 C ATOM 73 OE1 GLU A 746 -18.580 -1.005 -0.858 1.00 0.00 O ATOM 74 OE2 GLU A 746 -18.209 -0.105 1.112 1.00 0.00 O ATOM 0 H GLU A 746 -17.152 2.554 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 746 -15.154 2.231 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 746 -17.684 2.098 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 746 -17.651 0.599 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 746 -15.929 -0.233 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 746 -16.354 1.175 0.092 1.00 0.00 H new ATOM 81 N GLY A 747 -13.875 0.292 -2.820 1.00 0.00 N ATOM 82 CA GLY A 747 -13.086 -0.814 -3.330 1.00 0.00 C ATOM 83 C GLY A 747 -11.597 -0.596 -3.148 1.00 0.00 C ATOM 84 O GLY A 747 -11.114 -0.466 -2.023 1.00 0.00 O ATOM 0 H GLY A 747 -13.423 0.838 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -13.381 -1.732 -2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.303 -0.953 -4.389 1.00 0.00 H new ATOM 88 N VAL A 748 -10.865 -0.559 -4.257 1.00 0.00 N ATOM 89 CA VAL A 748 -9.422 -0.356 -4.215 1.00 0.00 C ATOM 90 C VAL A 748 -9.005 0.809 -5.104 1.00 0.00 C ATOM 91 O VAL A 748 -9.497 0.958 -6.223 1.00 0.00 O ATOM 92 CB VAL A 748 -8.665 -1.622 -4.657 1.00 0.00 C ATOM 93 CG1 VAL A 748 -7.162 -1.399 -4.583 1.00 0.00 C ATOM 94 CG2 VAL A 748 -9.077 -2.814 -3.805 1.00 0.00 C ATOM 0 H VAL A 748 -11.248 -0.667 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 748 -9.164 -0.130 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 748 -8.926 -1.837 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 748 -6.644 -2.304 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 748 -6.884 -0.574 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 748 -6.880 -1.159 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 748 -8.532 -3.700 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 748 -8.846 -2.611 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 748 -10.148 -2.986 -3.914 1.00 0.00 H new ATOM 104 N VAL A 749 -8.093 1.634 -4.600 1.00 0.00 N ATOM 105 CA VAL A 749 -7.607 2.787 -5.349 1.00 0.00 C ATOM 106 C VAL A 749 -6.259 2.492 -5.998 1.00 0.00 C ATOM 107 O VAL A 749 -5.230 2.456 -5.325 1.00 0.00 O ATOM 108 CB VAL A 749 -7.468 4.026 -4.445 1.00 0.00 C ATOM 109 CG1 VAL A 749 -6.891 5.196 -5.227 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.812 4.393 -3.835 1.00 0.00 C ATOM 0 H VAL A 749 -7.676 1.525 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 749 -8.344 2.993 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 749 -6.779 3.787 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -6.800 6.062 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -5.907 4.927 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.552 5.438 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.695 5.271 -3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.525 4.613 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.181 3.559 -3.238 1.00 0.00 H new ATOM 120 N GLU A 750 -6.274 2.281 -7.310 1.00 0.00 N ATOM 121 CA GLU A 750 -5.052 1.988 -8.051 1.00 0.00 C ATOM 122 C GLU A 750 -4.237 3.258 -8.278 1.00 0.00 C ATOM 123 O GLU A 750 -4.730 4.231 -8.848 1.00 0.00 O ATOM 124 CB GLU A 750 -5.387 1.337 -9.394 1.00 0.00 C ATOM 125 CG GLU A 750 -5.602 -0.165 -9.305 1.00 0.00 C ATOM 126 CD GLU A 750 -6.276 -0.732 -10.539 1.00 0.00 C ATOM 127 OE1 GLU A 750 -5.599 -0.852 -11.582 1.00 0.00 O ATOM 128 OE2 GLU A 750 -7.480 -1.055 -10.463 1.00 0.00 O ATOM 0 H GLU A 750 -7.118 2.307 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.455 1.294 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.286 1.801 -9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.580 1.539 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.640 -0.658 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.209 -0.390 -8.428 1.00 0.00 H new ATOM 135 N ALA A 751 -2.987 3.240 -7.828 1.00 0.00 N ATOM 136 CA ALA A 751 -2.102 4.388 -7.983 1.00 0.00 C ATOM 137 C ALA A 751 -0.877 4.028 -8.817 1.00 0.00 C ATOM 138 O ALA A 751 -0.500 2.861 -8.913 1.00 0.00 O ATOM 139 CB ALA A 751 -1.678 4.916 -6.620 1.00 0.00 C ATOM 0 H ALA A 751 -2.564 2.443 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.650 5.170 -8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.017 5.773 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.560 5.221 -6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.152 4.133 -6.074 1.00 0.00 H new ATOM 145 N VAL A 752 -0.260 5.040 -9.421 1.00 0.00 N ATOM 146 CA VAL A 752 0.922 4.830 -10.247 1.00 0.00 C ATOM 147 C VAL A 752 2.172 5.377 -9.567 1.00 0.00 C ATOM 148 O VAL A 752 2.132 6.423 -8.920 1.00 0.00 O ATOM 149 CB VAL A 752 0.769 5.497 -11.627 1.00 0.00 C ATOM 150 CG1 VAL A 752 2.034 5.318 -12.451 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.439 4.933 -12.360 1.00 0.00 C ATOM 0 H VAL A 752 -0.560 6.013 -9.353 1.00 0.00 H new ATOM 0 HA VAL A 752 1.026 3.753 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 752 0.610 6.565 -11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.906 5.796 -13.422 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.875 5.775 -11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.229 4.255 -12.593 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.532 5.415 -13.333 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.312 3.859 -12.498 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.339 5.120 -11.775 1.00 0.00 H new ATOM 161 N ALA A 753 3.282 4.662 -9.718 1.00 0.00 N ATOM 162 CA ALA A 753 4.545 5.077 -9.120 1.00 0.00 C ATOM 163 C ALA A 753 5.241 6.127 -9.980 1.00 0.00 C ATOM 164 O ALA A 753 5.756 5.820 -11.055 1.00 0.00 O ATOM 165 CB ALA A 753 5.453 3.873 -8.917 1.00 0.00 C ATOM 0 H ALA A 753 3.332 3.793 -10.249 1.00 0.00 H new ATOM 0 HA ALA A 753 4.330 5.524 -8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.393 4.197 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.965 3.156 -8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.653 3.402 -9.879 1.00 0.00 H new ATOM 171 N CYS A 754 5.251 7.366 -9.499 1.00 0.00 N ATOM 172 CA CYS A 754 5.882 8.462 -10.225 1.00 0.00 C ATOM 173 C CYS A 754 7.400 8.313 -10.223 1.00 0.00 C ATOM 174 O CYS A 754 8.089 8.853 -11.089 1.00 0.00 O ATOM 175 CB CYS A 754 5.488 9.804 -9.607 1.00 0.00 C ATOM 176 SG CYS A 754 5.744 9.897 -7.820 1.00 0.00 S ATOM 0 H CYS A 754 4.830 7.636 -8.610 1.00 0.00 H new ATOM 0 HA CYS A 754 5.534 8.430 -11.257 1.00 0.00 H new ATOM 0 HB2 CYS A 754 6.063 10.596 -10.087 1.00 0.00 H new ATOM 0 HB3 CYS A 754 4.437 9.997 -9.823 1.00 0.00 H new ATOM 0 HG CYS A 754 6.932 10.365 -7.576 1.00 0.00 H new ATOM 182 N PHE A 755 7.916 7.579 -9.242 1.00 0.00 N ATOM 183 CA PHE A 755 9.353 7.361 -9.125 1.00 0.00 C ATOM 184 C PHE A 755 9.648 5.990 -8.525 1.00 0.00 C ATOM 185 O PHE A 755 8.860 5.460 -7.742 1.00 0.00 O ATOM 186 CB PHE A 755 9.987 8.455 -8.263 1.00 0.00 C ATOM 187 CG PHE A 755 9.736 9.844 -8.776 1.00 0.00 C ATOM 188 CD1 PHE A 755 10.246 10.248 -9.999 1.00 0.00 C ATOM 189 CD2 PHE A 755 8.989 10.746 -8.035 1.00 0.00 C ATOM 190 CE1 PHE A 755 10.017 11.525 -10.473 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.756 12.025 -8.504 1.00 0.00 C ATOM 192 CZ PHE A 755 9.270 12.415 -9.725 1.00 0.00 C ATOM 0 H PHE A 755 7.360 7.125 -8.517 1.00 0.00 H new ATOM 0 HA PHE A 755 9.784 7.400 -10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.600 8.376 -7.247 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.062 8.285 -8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.829 9.556 -10.589 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.584 10.446 -7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 755 10.421 11.828 -11.428 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.173 12.719 -7.916 1.00 0.00 H new ATOM 0 HZ PHE A 755 9.089 13.413 -10.095 1.00 0.00 H new ATOM 202 N ALA A 756 10.789 5.420 -8.900 1.00 0.00 N ATOM 203 CA ALA A 756 11.189 4.111 -8.398 1.00 0.00 C ATOM 204 C ALA A 756 11.505 4.167 -6.907 1.00 0.00 C ATOM 205 O ALA A 756 12.204 5.069 -6.445 1.00 0.00 O ATOM 206 CB ALA A 756 12.391 3.594 -9.175 1.00 0.00 C ATOM 0 H ALA A 756 11.452 5.844 -9.549 1.00 0.00 H new ATOM 0 HA ALA A 756 10.355 3.424 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.680 2.616 -8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.132 3.507 -10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.223 4.288 -9.062 1.00 0.00 H new ATOM 212 N TYR A 757 10.985 3.200 -6.161 1.00 0.00 N ATOM 213 CA TYR A 757 11.209 3.141 -4.721 1.00 0.00 C ATOM 214 C TYR A 757 11.767 1.782 -4.312 1.00 0.00 C ATOM 215 O TYR A 757 11.608 0.790 -5.025 1.00 0.00 O ATOM 216 CB TYR A 757 9.905 3.417 -3.969 1.00 0.00 C ATOM 217 CG TYR A 757 10.071 3.461 -2.467 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.571 4.594 -1.837 1.00 0.00 C ATOM 219 CD2 TYR A 757 9.727 2.370 -1.678 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.724 4.638 -0.464 1.00 0.00 C ATOM 221 CE2 TYR A 757 9.876 2.407 -0.305 1.00 0.00 C ATOM 222 CZ TYR A 757 10.375 3.543 0.297 1.00 0.00 C ATOM 223 OH TYR A 757 10.526 3.582 1.664 1.00 0.00 O ATOM 0 H TYR A 757 10.405 2.446 -6.529 1.00 0.00 H new ATOM 0 HA TYR A 757 11.940 3.907 -4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.493 4.367 -4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.178 2.646 -4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.845 5.454 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 757 9.337 1.478 -2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.115 5.526 0.010 1.00 0.00 H new ATOM 0 HE2 TYR A 757 9.603 1.551 0.294 1.00 0.00 H new ATOM 0 HH TYR A 757 10.233 2.730 2.050 1.00 0.00 H new ATOM 233 N THR A 758 12.423 1.743 -3.156 1.00 0.00 N ATOM 234 CA THR A 758 13.007 0.507 -2.650 1.00 0.00 C ATOM 235 C THR A 758 12.727 0.336 -1.161 1.00 0.00 C ATOM 236 O THR A 758 13.336 1.003 -0.325 1.00 0.00 O ATOM 237 CB THR A 758 14.529 0.467 -2.883 1.00 0.00 C ATOM 238 OG1 THR A 758 14.812 0.546 -4.284 1.00 0.00 O ATOM 239 CG2 THR A 758 15.131 -0.807 -2.310 1.00 0.00 C ATOM 0 H THR A 758 12.563 2.553 -2.553 1.00 0.00 H new ATOM 0 HA THR A 758 12.542 -0.311 -3.201 1.00 0.00 H new ATOM 0 HB THR A 758 14.975 1.321 -2.374 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.782 0.522 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.207 -0.813 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 758 14.939 -0.850 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.679 -1.673 -2.794 1.00 0.00 H new ATOM 247 N GLY A 759 11.803 -0.562 -0.835 1.00 0.00 N ATOM 248 CA GLY A 759 11.460 -0.804 0.554 1.00 0.00 C ATOM 249 C GLY A 759 12.674 -1.115 1.405 1.00 0.00 C ATOM 250 O GLY A 759 13.477 -1.983 1.060 1.00 0.00 O ATOM 0 H GLY A 759 11.285 -1.127 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.952 0.072 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.757 -1.635 0.612 1.00 0.00 H new ATOM 254 N ARG A 760 12.811 -0.405 2.520 1.00 0.00 N ATOM 255 CA ARG A 760 13.939 -0.608 3.422 1.00 0.00 C ATOM 256 C ARG A 760 13.771 -1.896 4.221 1.00 0.00 C ATOM 257 O ARG A 760 14.735 -2.626 4.455 1.00 0.00 O ATOM 258 CB ARG A 760 14.079 0.581 4.374 1.00 0.00 C ATOM 259 CG ARG A 760 14.554 1.854 3.693 1.00 0.00 C ATOM 260 CD ARG A 760 16.072 1.924 3.639 1.00 0.00 C ATOM 261 NE ARG A 760 16.544 3.214 3.143 1.00 0.00 N ATOM 262 CZ ARG A 760 17.812 3.465 2.838 1.00 0.00 C ATOM 263 NH1 ARG A 760 18.731 2.519 2.978 1.00 0.00 N ATOM 264 NH2 ARG A 760 18.163 4.664 2.392 1.00 0.00 N ATOM 0 H ARG A 760 12.155 0.316 2.821 1.00 0.00 H new ATOM 0 HA ARG A 760 14.843 -0.690 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.116 0.771 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.780 0.320 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 760 14.150 1.899 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.168 2.721 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 760 16.478 1.748 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.449 1.129 2.996 1.00 0.00 H new ATOM 0 HE ARG A 760 15.862 3.963 3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 760 18.465 1.596 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 760 19.704 2.715 2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 760 17.459 5.394 2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 760 19.137 4.856 2.158 1.00 0.00 H new ATOM 278 N THR A 761 12.539 -2.171 4.638 1.00 0.00 N ATOM 279 CA THR A 761 12.244 -3.370 5.413 1.00 0.00 C ATOM 280 C THR A 761 11.141 -4.192 4.755 1.00 0.00 C ATOM 281 O THR A 761 10.419 -3.699 3.889 1.00 0.00 O ATOM 282 CB THR A 761 11.818 -3.019 6.851 1.00 0.00 C ATOM 283 OG1 THR A 761 10.520 -2.416 6.844 1.00 0.00 O ATOM 284 CG2 THR A 761 12.819 -2.073 7.496 1.00 0.00 C ATOM 0 H THR A 761 11.729 -1.579 4.452 1.00 0.00 H new ATOM 0 HA THR A 761 13.161 -3.958 5.447 1.00 0.00 H new ATOM 0 HB THR A 761 11.787 -3.941 7.432 1.00 0.00 H new ATOM 0 HG1 THR A 761 10.256 -2.197 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 761 12.497 -1.839 8.511 1.00 0.00 H new ATOM 0 HG22 THR A 761 13.800 -2.547 7.527 1.00 0.00 H new ATOM 0 HG23 THR A 761 12.878 -1.154 6.913 1.00 0.00 H new ATOM 292 N ALA A 762 11.016 -5.448 5.173 1.00 0.00 N ATOM 293 CA ALA A 762 9.999 -6.337 4.626 1.00 0.00 C ATOM 294 C ALA A 762 8.651 -5.633 4.524 1.00 0.00 C ATOM 295 O ALA A 762 7.918 -5.814 3.553 1.00 0.00 O ATOM 296 CB ALA A 762 9.880 -7.590 5.480 1.00 0.00 C ATOM 0 H ALA A 762 11.606 -5.872 5.888 1.00 0.00 H new ATOM 0 HA ALA A 762 10.305 -6.624 3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 762 9.117 -8.245 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.837 -8.111 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.601 -7.312 6.496 1.00 0.00 H new ATOM 302 N GLN A 763 8.330 -4.830 5.534 1.00 0.00 N ATOM 303 CA GLN A 763 7.069 -4.100 5.558 1.00 0.00 C ATOM 304 C GLN A 763 6.888 -3.282 4.283 1.00 0.00 C ATOM 305 O GLN A 763 5.831 -3.320 3.655 1.00 0.00 O ATOM 306 CB GLN A 763 7.010 -3.181 6.780 1.00 0.00 C ATOM 307 CG GLN A 763 6.815 -3.925 8.091 1.00 0.00 C ATOM 308 CD GLN A 763 6.809 -2.999 9.292 1.00 0.00 C ATOM 309 OE1 GLN A 763 5.780 -2.415 9.634 1.00 0.00 O ATOM 310 NE2 GLN A 763 7.960 -2.860 9.939 1.00 0.00 N ATOM 0 H GLN A 763 8.926 -4.669 6.346 1.00 0.00 H new ATOM 0 HA GLN A 763 6.259 -4.827 5.619 1.00 0.00 H new ATOM 0 HB2 GLN A 763 7.932 -2.602 6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.194 -2.470 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 763 5.874 -4.475 8.056 1.00 0.00 H new ATOM 0 HG3 GLN A 763 7.610 -4.661 8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 763 8.788 -3.363 9.621 1.00 0.00 H new ATOM 0 HE22 GLN A 763 8.016 -2.250 10.755 1.00 0.00 H new ATOM 319 N GLU A 764 7.928 -2.544 3.907 1.00 0.00 N ATOM 320 CA GLU A 764 7.883 -1.717 2.708 1.00 0.00 C ATOM 321 C GLU A 764 7.994 -2.574 1.450 1.00 0.00 C ATOM 322 O GLU A 764 8.570 -3.663 1.477 1.00 0.00 O ATOM 323 CB GLU A 764 9.009 -0.681 2.733 1.00 0.00 C ATOM 324 CG GLU A 764 8.913 0.295 3.894 1.00 0.00 C ATOM 325 CD GLU A 764 9.607 -0.214 5.142 1.00 0.00 C ATOM 326 OE1 GLU A 764 10.856 -0.214 5.168 1.00 0.00 O ATOM 327 OE2 GLU A 764 8.902 -0.612 6.093 1.00 0.00 O ATOM 0 H GLU A 764 8.811 -2.502 4.416 1.00 0.00 H new ATOM 0 HA GLU A 764 6.923 -1.200 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.967 -1.199 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.998 -0.122 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.354 1.248 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.863 0.485 4.118 1.00 0.00 H new ATOM 334 N LEU A 765 7.438 -2.077 0.351 1.00 0.00 N ATOM 335 CA LEU A 765 7.473 -2.797 -0.917 1.00 0.00 C ATOM 336 C LEU A 765 8.516 -2.197 -1.855 1.00 0.00 C ATOM 337 O LEU A 765 9.130 -1.176 -1.545 1.00 0.00 O ATOM 338 CB LEU A 765 6.096 -2.767 -1.582 1.00 0.00 C ATOM 339 CG LEU A 765 5.045 -3.706 -0.990 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.652 -3.309 -1.453 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.344 -5.149 -1.371 1.00 0.00 C ATOM 0 H LEU A 765 6.957 -1.178 0.312 1.00 0.00 H new ATOM 0 HA LEU A 765 7.748 -3.832 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.713 -1.748 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.219 -3.011 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 765 5.082 -3.622 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.918 -3.989 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.438 -2.290 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.601 -3.363 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.586 -5.803 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.336 -5.248 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.325 -5.430 -0.989 1.00 0.00 H new ATOM 353 N SER A 766 8.710 -2.838 -3.003 1.00 0.00 N ATOM 354 CA SER A 766 9.679 -2.368 -3.986 1.00 0.00 C ATOM 355 C SER A 766 9.083 -2.388 -5.390 1.00 0.00 C ATOM 356 O SER A 766 8.736 -3.446 -5.915 1.00 0.00 O ATOM 357 CB SER A 766 10.940 -3.234 -3.944 1.00 0.00 C ATOM 358 OG SER A 766 11.615 -3.091 -2.706 1.00 0.00 O ATOM 0 H SER A 766 8.209 -3.684 -3.275 1.00 0.00 H new ATOM 0 HA SER A 766 9.943 -1.340 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 766 10.672 -4.279 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.606 -2.952 -4.760 1.00 0.00 H new ATOM 0 HG SER A 766 12.416 -3.655 -2.703 1.00 0.00 H new ATOM 364 N PHE A 767 8.966 -1.209 -5.993 1.00 0.00 N ATOM 365 CA PHE A 767 8.410 -1.089 -7.336 1.00 0.00 C ATOM 366 C PHE A 767 9.156 -0.029 -8.140 1.00 0.00 C ATOM 367 O PHE A 767 9.808 0.850 -7.576 1.00 0.00 O ATOM 368 CB PHE A 767 6.922 -0.738 -7.265 1.00 0.00 C ATOM 369 CG PHE A 767 6.619 0.403 -6.336 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.896 1.708 -6.708 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.057 0.169 -5.092 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.617 2.760 -5.855 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.776 1.217 -4.235 1.00 0.00 C ATOM 374 CZ PHE A 767 6.057 2.514 -4.617 1.00 0.00 C ATOM 0 H PHE A 767 9.249 -0.324 -5.573 1.00 0.00 H new ATOM 0 HA PHE A 767 8.526 -2.049 -7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.568 -0.486 -8.265 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.364 -1.617 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.335 1.906 -7.675 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.836 -0.843 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.837 3.773 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.337 1.021 -3.268 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.839 3.334 -3.949 1.00 0.00 H new ATOM 384 N ARG A 768 9.057 -0.119 -9.463 1.00 0.00 N ATOM 385 CA ARG A 768 9.724 0.830 -10.346 1.00 0.00 C ATOM 386 C ARG A 768 8.712 1.764 -11.003 1.00 0.00 C ATOM 387 O ARG A 768 7.561 1.390 -11.226 1.00 0.00 O ATOM 388 CB ARG A 768 10.520 0.087 -11.420 1.00 0.00 C ATOM 389 CG ARG A 768 11.934 -0.270 -10.991 1.00 0.00 C ATOM 390 CD ARG A 768 12.533 -1.343 -11.887 1.00 0.00 C ATOM 391 NE ARG A 768 11.856 -2.627 -11.732 1.00 0.00 N ATOM 392 CZ ARG A 768 12.000 -3.411 -10.668 1.00 0.00 C ATOM 393 NH1 ARG A 768 12.794 -3.042 -9.672 1.00 0.00 N ATOM 394 NH2 ARG A 768 11.350 -4.565 -10.600 1.00 0.00 N ATOM 0 H ARG A 768 8.521 -0.840 -9.946 1.00 0.00 H new ATOM 0 HA ARG A 768 10.409 1.428 -9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.989 -0.826 -11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.566 0.703 -12.318 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.560 0.622 -11.020 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.925 -0.620 -9.959 1.00 0.00 H new ATOM 0 HD2 ARG A 768 12.470 -1.023 -12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 768 13.591 -1.461 -11.654 1.00 0.00 H new ATOM 0 HE ARG A 768 11.239 -2.940 -12.481 1.00 0.00 H new ATOM 0 HH11 ARG A 768 13.296 -2.155 -9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 768 12.903 -3.645 -8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 768 10.739 -4.852 -11.365 1.00 0.00 H new ATOM 0 HH22 ARG A 768 11.461 -5.166 -9.783 1.00 0.00 H new ATOM 408 N ARG A 769 9.150 2.981 -11.309 1.00 0.00 N ATOM 409 CA ARG A 769 8.283 3.969 -11.939 1.00 0.00 C ATOM 410 C ARG A 769 7.385 3.316 -12.986 1.00 0.00 C ATOM 411 O ARG A 769 7.845 2.519 -13.802 1.00 0.00 O ATOM 412 CB ARG A 769 9.119 5.075 -12.585 1.00 0.00 C ATOM 413 CG ARG A 769 8.319 5.987 -13.501 1.00 0.00 C ATOM 414 CD ARG A 769 9.223 6.743 -14.462 1.00 0.00 C ATOM 415 NE ARG A 769 8.621 7.998 -14.906 1.00 0.00 N ATOM 416 CZ ARG A 769 7.734 8.079 -15.891 1.00 0.00 C ATOM 417 NH1 ARG A 769 7.347 6.984 -16.531 1.00 0.00 N ATOM 418 NH2 ARG A 769 7.232 9.257 -16.238 1.00 0.00 N ATOM 0 H ARG A 769 10.100 3.306 -11.131 1.00 0.00 H new ATOM 0 HA ARG A 769 7.651 4.406 -11.166 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.580 5.675 -11.801 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.929 4.620 -13.156 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.599 5.396 -14.066 1.00 0.00 H new ATOM 0 HG3 ARG A 769 7.749 6.697 -12.902 1.00 0.00 H new ATOM 0 HD2 ARG A 769 10.176 6.950 -13.976 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.436 6.117 -15.328 1.00 0.00 H new ATOM 0 HE ARG A 769 8.897 8.859 -14.434 1.00 0.00 H new ATOM 0 HH11 ARG A 769 7.731 6.077 -16.267 1.00 0.00 H new ATOM 0 HH12 ARG A 769 6.666 7.049 -17.287 1.00 0.00 H new ATOM 0 HH21 ARG A 769 7.527 10.102 -15.748 1.00 0.00 H new ATOM 0 HH22 ARG A 769 6.551 9.318 -16.995 1.00 0.00 H new ATOM 432 N GLY A 770 6.102 3.662 -12.957 1.00 0.00 N ATOM 433 CA GLY A 770 5.160 3.100 -13.907 1.00 0.00 C ATOM 434 C GLY A 770 4.422 1.898 -13.352 1.00 0.00 C ATOM 435 O GLY A 770 3.289 1.621 -13.745 1.00 0.00 O ATOM 0 H GLY A 770 5.698 4.322 -12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.438 3.865 -14.193 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.692 2.809 -14.813 1.00 0.00 H new ATOM 439 N ASP A 771 5.065 1.182 -12.436 1.00 0.00 N ATOM 440 CA ASP A 771 4.462 0.003 -11.825 1.00 0.00 C ATOM 441 C ASP A 771 3.278 0.392 -10.946 1.00 0.00 C ATOM 442 O ASP A 771 3.440 1.076 -9.936 1.00 0.00 O ATOM 443 CB ASP A 771 5.501 -0.756 -10.998 1.00 0.00 C ATOM 444 CG ASP A 771 6.463 -1.548 -11.861 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.633 -1.188 -13.045 1.00 0.00 O ATOM 446 OD2 ASP A 771 7.047 -2.527 -11.353 1.00 0.00 O ATOM 0 H ASP A 771 6.004 1.397 -12.100 1.00 0.00 H new ATOM 0 HA ASP A 771 4.100 -0.645 -12.623 1.00 0.00 H new ATOM 0 HB2 ASP A 771 6.063 -0.048 -10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.991 -1.433 -10.312 1.00 0.00 H new ATOM 451 N VAL A 772 2.087 -0.049 -11.338 1.00 0.00 N ATOM 452 CA VAL A 772 0.875 0.252 -10.585 1.00 0.00 C ATOM 453 C VAL A 772 0.805 -0.570 -9.304 1.00 0.00 C ATOM 454 O VAL A 772 1.423 -1.631 -9.199 1.00 0.00 O ATOM 455 CB VAL A 772 -0.388 -0.016 -11.425 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.640 0.334 -10.634 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.336 0.764 -12.730 1.00 0.00 C ATOM 0 H VAL A 772 1.935 -0.616 -12.172 1.00 0.00 H new ATOM 0 HA VAL A 772 0.915 1.311 -10.331 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.424 -1.079 -11.665 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.522 0.138 -11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.681 -0.274 -9.730 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.615 1.389 -10.361 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.236 0.562 -13.310 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.275 1.831 -12.514 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.540 0.459 -13.302 1.00 0.00 H new ATOM 467 N LEU A 773 0.047 -0.076 -8.331 1.00 0.00 N ATOM 468 CA LEU A 773 -0.105 -0.765 -7.054 1.00 0.00 C ATOM 469 C LEU A 773 -1.498 -0.539 -6.476 1.00 0.00 C ATOM 470 O LEU A 773 -1.971 0.595 -6.396 1.00 0.00 O ATOM 471 CB LEU A 773 0.956 -0.284 -6.062 1.00 0.00 C ATOM 472 CG LEU A 773 2.284 0.172 -6.668 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.970 1.176 -5.756 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.190 -1.023 -6.927 1.00 0.00 C ATOM 0 H LEU A 773 -0.472 0.799 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 773 0.027 -1.833 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.539 0.543 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.159 -1.091 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 773 2.078 0.660 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.913 1.489 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.326 2.045 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.163 0.715 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.130 -0.680 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.388 -1.539 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.701 -1.707 -7.621 1.00 0.00 H new ATOM 486 N ARG A 774 -2.149 -1.625 -6.072 1.00 0.00 N ATOM 487 CA ARG A 774 -3.488 -1.545 -5.500 1.00 0.00 C ATOM 488 C ARG A 774 -3.433 -1.058 -4.055 1.00 0.00 C ATOM 489 O ARG A 774 -2.820 -1.695 -3.197 1.00 0.00 O ATOM 490 CB ARG A 774 -4.176 -2.910 -5.564 1.00 0.00 C ATOM 491 CG ARG A 774 -4.812 -3.208 -6.911 1.00 0.00 C ATOM 492 CD ARG A 774 -5.210 -4.671 -7.028 1.00 0.00 C ATOM 493 NE ARG A 774 -5.381 -5.083 -8.418 1.00 0.00 N ATOM 494 CZ ARG A 774 -5.819 -6.284 -8.781 1.00 0.00 C ATOM 495 NH1 ARG A 774 -6.130 -7.185 -7.860 1.00 0.00 N ATOM 496 NH2 ARG A 774 -5.949 -6.584 -10.067 1.00 0.00 N ATOM 0 H ARG A 774 -1.771 -2.571 -6.130 1.00 0.00 H new ATOM 0 HA ARG A 774 -4.064 -0.828 -6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.446 -3.687 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -4.943 -2.958 -4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.692 -2.579 -7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -4.113 -2.955 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -4.448 -5.292 -6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -6.139 -4.838 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 774 -5.152 -4.412 -9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -6.033 -6.957 -6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -6.466 -8.106 -8.141 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -5.713 -5.892 -10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -6.285 -7.506 -10.344 1.00 0.00 H new ATOM 510 N LEU A 775 -4.076 0.074 -3.792 1.00 0.00 N ATOM 511 CA LEU A 775 -4.101 0.647 -2.451 1.00 0.00 C ATOM 512 C LEU A 775 -5.305 0.139 -1.664 1.00 0.00 C ATOM 513 O LEU A 775 -6.407 0.676 -1.780 1.00 0.00 O ATOM 514 CB LEU A 775 -4.136 2.175 -2.528 1.00 0.00 C ATOM 515 CG LEU A 775 -3.067 2.827 -3.406 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.178 4.342 -3.345 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.678 2.374 -2.980 1.00 0.00 C ATOM 0 H LEU A 775 -4.587 0.614 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.194 0.336 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.116 2.478 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.040 2.572 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.229 2.513 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.409 4.789 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.162 4.649 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.042 4.676 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -0.930 2.848 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.505 2.658 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.603 1.291 -3.077 1.00 0.00 H new ATOM 529 N HIS A 776 -5.085 -0.897 -0.861 1.00 0.00 N ATOM 530 CA HIS A 776 -6.152 -1.476 -0.052 1.00 0.00 C ATOM 531 C HIS A 776 -6.751 -0.432 0.885 1.00 0.00 C ATOM 532 O HIS A 776 -7.942 -0.130 0.811 1.00 0.00 O ATOM 533 CB HIS A 776 -5.621 -2.660 0.758 1.00 0.00 C ATOM 534 CG HIS A 776 -4.900 -3.678 -0.071 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.616 -4.950 0.379 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.406 -3.606 -1.329 1.00 0.00 C ATOM 537 CE1 HIS A 776 -3.978 -5.616 -0.567 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.838 -4.823 -1.614 1.00 0.00 N ATOM 0 H HIS A 776 -4.179 -1.352 -0.753 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.935 -1.827 -0.725 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.947 -2.288 1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.454 -3.143 1.268 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -4.860 -5.319 1.298 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.450 -2.750 -1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.630 -6.636 -0.496 1.00 0.00 H new ATOM 546 N GLU A 777 -5.918 0.115 1.764 1.00 0.00 N ATOM 547 CA GLU A 777 -6.368 1.125 2.716 1.00 0.00 C ATOM 548 C GLU A 777 -5.187 1.924 3.259 1.00 0.00 C ATOM 549 O GLU A 777 -4.083 1.399 3.405 1.00 0.00 O ATOM 550 CB GLU A 777 -7.127 0.467 3.870 1.00 0.00 C ATOM 551 CG GLU A 777 -8.170 1.370 4.505 1.00 0.00 C ATOM 552 CD GLU A 777 -9.180 1.891 3.501 1.00 0.00 C ATOM 553 OE1 GLU A 777 -10.006 1.089 3.018 1.00 0.00 O ATOM 554 OE2 GLU A 777 -9.144 3.102 3.198 1.00 0.00 O ATOM 0 H GLU A 777 -4.929 -0.123 1.837 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.037 1.808 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.615 -0.437 3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.413 0.157 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -8.692 0.821 5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.672 2.213 4.984 1.00 0.00 H new ATOM 561 N ARG A 778 -5.428 3.197 3.556 1.00 0.00 N ATOM 562 CA ARG A 778 -4.386 4.070 4.082 1.00 0.00 C ATOM 563 C ARG A 778 -3.679 3.420 5.267 1.00 0.00 C ATOM 564 O ARG A 778 -4.321 2.848 6.148 1.00 0.00 O ATOM 565 CB ARG A 778 -4.981 5.414 4.504 1.00 0.00 C ATOM 566 CG ARG A 778 -3.984 6.561 4.465 1.00 0.00 C ATOM 567 CD ARG A 778 -3.911 7.190 3.083 1.00 0.00 C ATOM 568 NE ARG A 778 -4.915 8.235 2.903 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.948 9.353 3.618 1.00 0.00 C ATOM 570 NH1 ARG A 778 -4.037 9.571 4.557 1.00 0.00 N ATOM 571 NH2 ARG A 778 -5.893 10.258 3.396 1.00 0.00 N ATOM 0 H ARG A 778 -6.336 3.647 3.441 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.654 4.237 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.821 5.651 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -5.379 5.324 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -4.270 7.318 5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -2.998 6.197 4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.918 7.611 2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.051 6.419 2.326 1.00 0.00 H new ATOM 0 HE ARG A 778 -5.630 8.098 2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -3.308 8.879 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -4.065 10.431 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -6.596 10.095 2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -5.917 11.116 3.947 1.00 0.00 H new ATOM 585 N ALA A 779 -2.353 3.512 5.282 1.00 0.00 N ATOM 586 CA ALA A 779 -1.559 2.935 6.360 1.00 0.00 C ATOM 587 C ALA A 779 -1.085 4.011 7.330 1.00 0.00 C ATOM 588 O ALA A 779 -1.116 3.822 8.546 1.00 0.00 O ATOM 589 CB ALA A 779 -0.371 2.174 5.791 1.00 0.00 C ATOM 0 H ALA A 779 -1.806 3.981 4.560 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.192 2.240 6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 779 0.213 1.748 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.728 1.373 5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 779 0.254 2.855 5.214 1.00 0.00 H new ATOM 595 N SER A 780 -0.646 5.141 6.785 1.00 0.00 N ATOM 596 CA SER A 780 -0.161 6.247 7.602 1.00 0.00 C ATOM 597 C SER A 780 -0.532 7.588 6.978 1.00 0.00 C ATOM 598 O SER A 780 -1.061 7.643 5.867 1.00 0.00 O ATOM 599 CB SER A 780 1.357 6.154 7.774 1.00 0.00 C ATOM 600 OG SER A 780 1.765 6.719 9.008 1.00 0.00 O ATOM 0 H SER A 780 -0.616 5.315 5.780 1.00 0.00 H new ATOM 0 HA SER A 780 -0.636 6.178 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.668 5.110 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.852 6.671 6.952 1.00 0.00 H new ATOM 0 HG SER A 780 2.738 6.646 9.095 1.00 0.00 H new ATOM 606 N SER A 781 -0.251 8.668 7.700 1.00 0.00 N ATOM 607 CA SER A 781 -0.559 10.010 7.220 1.00 0.00 C ATOM 608 C SER A 781 -0.036 10.212 5.801 1.00 0.00 C ATOM 609 O SER A 781 -0.653 10.909 4.994 1.00 0.00 O ATOM 610 CB SER A 781 0.047 11.060 8.153 1.00 0.00 C ATOM 611 OG SER A 781 1.454 10.911 8.243 1.00 0.00 O ATOM 0 H SER A 781 0.189 8.640 8.620 1.00 0.00 H new ATOM 0 HA SER A 781 -1.643 10.126 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 781 -0.194 12.058 7.787 1.00 0.00 H new ATOM 0 HB3 SER A 781 -0.396 10.969 9.145 1.00 0.00 H new ATOM 0 HG SER A 781 1.818 11.595 8.844 1.00 0.00 H new ATOM 617 N ASP A 782 1.104 9.598 5.504 1.00 0.00 N ATOM 618 CA ASP A 782 1.710 9.709 4.182 1.00 0.00 C ATOM 619 C ASP A 782 2.134 8.339 3.663 1.00 0.00 C ATOM 620 O ASP A 782 3.198 8.195 3.060 1.00 0.00 O ATOM 621 CB ASP A 782 2.918 10.647 4.229 1.00 0.00 C ATOM 622 CG ASP A 782 2.534 12.096 4.005 1.00 0.00 C ATOM 623 OD1 ASP A 782 1.576 12.346 3.244 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.191 12.981 4.593 1.00 0.00 O ATOM 0 H ASP A 782 1.627 9.018 6.160 1.00 0.00 H new ATOM 0 HA ASP A 782 0.966 10.121 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.412 10.550 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 782 3.640 10.344 3.470 1.00 0.00 H new ATOM 629 N TRP A 783 1.296 7.337 3.901 1.00 0.00 N ATOM 630 CA TRP A 783 1.585 5.977 3.458 1.00 0.00 C ATOM 631 C TRP A 783 0.298 5.222 3.144 1.00 0.00 C ATOM 632 O TRP A 783 -0.789 5.635 3.548 1.00 0.00 O ATOM 633 CB TRP A 783 2.383 5.229 4.527 1.00 0.00 C ATOM 634 CG TRP A 783 3.795 5.713 4.662 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.231 6.767 5.412 1.00 0.00 C ATOM 636 CD2 TRP A 783 4.954 5.162 4.028 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.592 6.905 5.282 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.060 5.931 4.439 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.166 4.092 3.154 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.355 5.664 4.005 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.452 3.828 2.724 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.533 4.611 3.149 1.00 0.00 C ATOM 0 H TRP A 783 0.411 7.440 4.398 1.00 0.00 H new ATOM 0 HA TRP A 783 2.180 6.037 2.547 1.00 0.00 H new ATOM 0 HB2 TRP A 783 1.877 5.333 5.487 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.392 4.166 4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.599 7.399 6.018 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.162 7.617 5.739 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.339 3.482 2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.190 6.266 4.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.627 3.004 2.048 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.526 4.379 2.794 1.00 0.00 H new ATOM 653 N TRP A 784 0.428 4.114 2.423 1.00 0.00 N ATOM 654 CA TRP A 784 -0.726 3.302 2.056 1.00 0.00 C ATOM 655 C TRP A 784 -0.402 1.816 2.167 1.00 0.00 C ATOM 656 O TRP A 784 0.737 1.438 2.439 1.00 0.00 O ATOM 657 CB TRP A 784 -1.177 3.633 0.633 1.00 0.00 C ATOM 658 CG TRP A 784 -1.646 5.048 0.473 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.867 6.168 0.417 1.00 0.00 C ATOM 660 CD2 TRP A 784 -3.002 5.492 0.350 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.657 7.282 0.267 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.970 6.895 0.222 1.00 0.00 C ATOM 663 CE3 TRP A 784 -4.239 4.842 0.334 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -4.128 7.655 0.081 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.387 5.598 0.194 1.00 0.00 C ATOM 666 CH2 TRP A 784 -5.325 6.993 0.069 1.00 0.00 C ATOM 0 H TRP A 784 1.321 3.758 2.081 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.536 3.532 2.748 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.350 3.452 -0.054 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.983 2.956 0.348 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.211 6.177 0.481 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.320 8.242 0.200 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.297 3.768 0.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -4.083 8.730 -0.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -6.348 5.106 0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -6.240 7.556 -0.039 1.00 0.00 H new ATOM 677 N ARG A 785 -1.412 0.977 1.955 1.00 0.00 N ATOM 678 CA ARG A 785 -1.234 -0.468 2.033 1.00 0.00 C ATOM 679 C ARG A 785 -1.677 -1.140 0.736 1.00 0.00 C ATOM 680 O ARG A 785 -2.860 -1.145 0.401 1.00 0.00 O ATOM 681 CB ARG A 785 -2.025 -1.038 3.211 1.00 0.00 C ATOM 682 CG ARG A 785 -1.280 -0.969 4.535 1.00 0.00 C ATOM 683 CD ARG A 785 -1.863 -1.937 5.553 1.00 0.00 C ATOM 684 NE ARG A 785 -1.725 -3.327 5.128 1.00 0.00 N ATOM 685 CZ ARG A 785 -2.177 -4.359 5.832 1.00 0.00 C ATOM 686 NH1 ARG A 785 -2.794 -4.157 6.988 1.00 0.00 N ATOM 687 NH2 ARG A 785 -2.014 -5.595 5.379 1.00 0.00 N ATOM 0 H ARG A 785 -2.361 1.273 1.728 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.174 -0.671 2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -2.965 -0.494 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.278 -2.077 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.227 -1.199 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.328 0.047 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -1.363 -1.800 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -2.917 -1.708 5.708 1.00 0.00 H new ATOM 0 HE ARG A 785 -1.256 -3.516 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -2.922 -3.208 7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -3.140 -4.951 7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -1.541 -5.754 4.489 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -2.361 -6.387 5.920 1.00 0.00 H new ATOM 701 N GLY A 786 -0.717 -1.707 0.011 1.00 0.00 N ATOM 702 CA GLY A 786 -1.027 -2.373 -1.240 1.00 0.00 C ATOM 703 C GLY A 786 -0.284 -3.685 -1.398 1.00 0.00 C ATOM 704 O GLY A 786 0.456 -4.097 -0.505 1.00 0.00 O ATOM 0 H GLY A 786 0.270 -1.717 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.100 -2.558 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.775 -1.714 -2.071 1.00 0.00 H new ATOM 708 N GLU A 787 -0.481 -4.341 -2.537 1.00 0.00 N ATOM 709 CA GLU A 787 0.175 -5.615 -2.807 1.00 0.00 C ATOM 710 C GLU A 787 0.791 -5.624 -4.203 1.00 0.00 C ATOM 711 O GLU A 787 0.094 -5.448 -5.203 1.00 0.00 O ATOM 712 CB GLU A 787 -0.822 -6.767 -2.670 1.00 0.00 C ATOM 713 CG GLU A 787 -0.427 -8.011 -3.449 1.00 0.00 C ATOM 714 CD GLU A 787 -1.487 -9.093 -3.398 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.057 -9.316 -2.309 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.747 -9.718 -4.447 1.00 0.00 O ATOM 0 H GLU A 787 -1.089 -4.012 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 787 0.972 -5.746 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.923 -7.026 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.801 -6.431 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.240 -7.740 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.507 -8.404 -3.049 1.00 0.00 H new ATOM 723 N HIS A 788 2.103 -5.830 -4.263 1.00 0.00 N ATOM 724 CA HIS A 788 2.815 -5.862 -5.536 1.00 0.00 C ATOM 725 C HIS A 788 2.641 -7.214 -6.221 1.00 0.00 C ATOM 726 O HIS A 788 1.930 -8.086 -5.724 1.00 0.00 O ATOM 727 CB HIS A 788 4.300 -5.573 -5.322 1.00 0.00 C ATOM 728 CG HIS A 788 4.953 -4.895 -6.487 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.318 -4.884 -6.684 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.420 -4.204 -7.521 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.596 -4.214 -7.788 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.461 -3.791 -8.315 1.00 0.00 N ATOM 0 H HIS A 788 2.695 -5.977 -3.445 1.00 0.00 H new ATOM 0 HA HIS A 788 2.392 -5.091 -6.180 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.416 -4.948 -4.437 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.819 -6.510 -5.120 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.371 -4.013 -7.690 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.583 -4.041 -8.191 1.00 0.00 H new ATOM 0 HE2 HIS A 788 5.372 -3.246 -9.173 1.00 0.00 H new ATOM 740 N ASN A 789 3.296 -7.381 -7.366 1.00 0.00 N ATOM 741 CA ASN A 789 3.213 -8.626 -8.120 1.00 0.00 C ATOM 742 C ASN A 789 3.872 -9.770 -7.355 1.00 0.00 C ATOM 743 O ASN A 789 4.984 -10.186 -7.676 1.00 0.00 O ATOM 744 CB ASN A 789 3.878 -8.463 -9.488 1.00 0.00 C ATOM 745 CG ASN A 789 3.085 -7.558 -10.411 1.00 0.00 C ATOM 746 OD1 ASN A 789 1.855 -7.549 -10.385 1.00 0.00 O ATOM 747 ND2 ASN A 789 3.790 -6.790 -11.235 1.00 0.00 N ATOM 0 H ASN A 789 3.890 -6.669 -7.791 1.00 0.00 H new ATOM 0 HA ASN A 789 2.159 -8.866 -8.262 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.880 -8.055 -9.356 1.00 0.00 H new ATOM 0 HB3 ASN A 789 3.992 -9.442 -9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 789 3.312 -6.161 -11.880 1.00 0.00 H new ATOM 0 HD22 ASN A 789 4.809 -6.830 -11.223 1.00 0.00 H new ATOM 754 N GLY A 790 3.177 -10.275 -6.340 1.00 0.00 N ATOM 755 CA GLY A 790 3.710 -11.366 -5.545 1.00 0.00 C ATOM 756 C GLY A 790 4.186 -10.910 -4.181 1.00 0.00 C ATOM 757 O GLY A 790 4.492 -11.732 -3.317 1.00 0.00 O ATOM 0 H GLY A 790 2.254 -9.948 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.943 -12.130 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.539 -11.830 -6.079 1.00 0.00 H new ATOM 761 N MET A 791 4.251 -9.597 -3.986 1.00 0.00 N ATOM 762 CA MET A 791 4.695 -9.034 -2.716 1.00 0.00 C ATOM 763 C MET A 791 3.573 -8.243 -2.051 1.00 0.00 C ATOM 764 O MET A 791 2.596 -7.868 -2.699 1.00 0.00 O ATOM 765 CB MET A 791 5.912 -8.132 -2.931 1.00 0.00 C ATOM 766 CG MET A 791 7.239 -8.866 -2.821 1.00 0.00 C ATOM 767 SD MET A 791 8.653 -7.749 -2.834 1.00 0.00 S ATOM 768 CE MET A 791 8.641 -7.208 -4.542 1.00 0.00 C ATOM 0 H MET A 791 4.002 -8.903 -4.691 1.00 0.00 H new ATOM 0 HA MET A 791 4.974 -9.858 -2.059 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.842 -7.670 -3.916 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.890 -7.325 -2.198 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.251 -9.451 -1.901 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.330 -9.570 -3.648 1.00 0.00 H new ATOM 0 HE1 MET A 791 9.539 -6.624 -4.745 1.00 0.00 H new ATOM 0 HE2 MET A 791 8.618 -8.077 -5.199 1.00 0.00 H new ATOM 0 HE3 MET A 791 7.759 -6.593 -4.723 1.00 0.00 H new ATOM 778 N ARG A 792 3.719 -7.994 -0.753 1.00 0.00 N ATOM 779 CA ARG A 792 2.717 -7.250 -0.001 1.00 0.00 C ATOM 780 C ARG A 792 3.375 -6.378 1.065 1.00 0.00 C ATOM 781 O ARG A 792 4.243 -6.835 1.807 1.00 0.00 O ATOM 782 CB ARG A 792 1.722 -8.210 0.654 1.00 0.00 C ATOM 783 CG ARG A 792 1.067 -9.169 -0.327 1.00 0.00 C ATOM 784 CD ARG A 792 0.139 -10.143 0.382 1.00 0.00 C ATOM 785 NE ARG A 792 0.875 -11.218 1.042 1.00 0.00 N ATOM 786 CZ ARG A 792 0.318 -12.081 1.885 1.00 0.00 C ATOM 787 NH1 ARG A 792 -0.974 -11.995 2.169 1.00 0.00 N ATOM 788 NH2 ARG A 792 1.054 -13.032 2.446 1.00 0.00 N ATOM 0 H ARG A 792 4.522 -8.297 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 792 2.183 -6.604 -0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.237 -8.786 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.947 -7.631 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.504 -8.603 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.836 -9.723 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.456 -9.605 1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.558 -10.570 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 792 1.871 -11.311 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -1.543 -11.265 1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -1.399 -12.659 2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 792 2.049 -13.101 2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 792 0.625 -13.694 3.093 1.00 0.00 H new ATOM 802 N GLY A 793 2.954 -5.118 1.135 1.00 0.00 N ATOM 803 CA GLY A 793 3.514 -4.202 2.112 1.00 0.00 C ATOM 804 C GLY A 793 2.927 -2.809 2.002 1.00 0.00 C ATOM 805 O GLY A 793 1.886 -2.613 1.374 1.00 0.00 O ATOM 0 H GLY A 793 2.236 -4.716 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.335 -4.591 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.595 -4.149 1.979 1.00 0.00 H new ATOM 809 N LEU A 794 3.594 -1.838 2.616 1.00 0.00 N ATOM 810 CA LEU A 794 3.132 -0.455 2.587 1.00 0.00 C ATOM 811 C LEU A 794 3.517 0.220 1.274 1.00 0.00 C ATOM 812 O LEU A 794 4.266 -0.340 0.473 1.00 0.00 O ATOM 813 CB LEU A 794 3.718 0.325 3.765 1.00 0.00 C ATOM 814 CG LEU A 794 3.369 -0.201 5.158 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.475 0.131 6.147 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.041 0.375 5.627 1.00 0.00 C ATOM 0 H LEU A 794 4.457 -1.983 3.140 1.00 0.00 H new ATOM 0 HA LEU A 794 2.045 -0.460 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.803 0.336 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.381 1.359 3.694 1.00 0.00 H new ATOM 0 HG LEU A 794 3.273 -1.285 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.209 -0.251 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.407 -0.330 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.603 1.212 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.808 -0.010 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.109 1.462 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.253 0.086 4.932 1.00 0.00 H new ATOM 828 N ILE A 795 3.001 1.426 1.061 1.00 0.00 N ATOM 829 CA ILE A 795 3.293 2.178 -0.153 1.00 0.00 C ATOM 830 C ILE A 795 3.455 3.664 0.147 1.00 0.00 C ATOM 831 O ILE A 795 2.632 4.280 0.825 1.00 0.00 O ATOM 832 CB ILE A 795 2.186 1.997 -1.208 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.316 0.631 -1.886 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.249 3.114 -2.239 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.055 0.185 -2.594 1.00 0.00 C ATOM 0 H ILE A 795 2.379 1.903 1.713 1.00 0.00 H new ATOM 0 HA ILE A 795 4.229 1.785 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 795 1.218 2.044 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.133 0.668 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.585 -0.113 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.460 2.972 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.113 4.075 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.219 3.096 -2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.220 -0.791 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.239 0.115 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 795 0.796 0.909 -3.367 1.00 0.00 H new ATOM 847 N PRO A 796 4.542 4.257 -0.371 1.00 0.00 N ATOM 848 CA PRO A 796 4.837 5.679 -0.174 1.00 0.00 C ATOM 849 C PRO A 796 3.865 6.582 -0.926 1.00 0.00 C ATOM 850 O PRO A 796 3.737 6.493 -2.147 1.00 0.00 O ATOM 851 CB PRO A 796 6.252 5.829 -0.738 1.00 0.00 C ATOM 852 CG PRO A 796 6.384 4.724 -1.729 1.00 0.00 C ATOM 853 CD PRO A 796 5.565 3.584 -1.189 1.00 0.00 C ATOM 0 HA PRO A 796 4.747 5.973 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.389 6.802 -1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.002 5.747 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.023 5.034 -2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.427 4.432 -1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.116 2.997 -1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.170 2.901 -0.593 1.00 0.00 H new ATOM 861 N HIS A 797 3.181 7.452 -0.188 1.00 0.00 N ATOM 862 CA HIS A 797 2.221 8.373 -0.786 1.00 0.00 C ATOM 863 C HIS A 797 2.936 9.527 -1.482 1.00 0.00 C ATOM 864 O HIS A 797 2.301 10.384 -2.098 1.00 0.00 O ATOM 865 CB HIS A 797 1.270 8.915 0.281 1.00 0.00 C ATOM 866 CG HIS A 797 0.437 10.068 -0.189 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.811 9.914 -0.755 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.680 11.400 -0.173 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.299 11.101 -1.068 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.414 12.020 -0.725 1.00 0.00 N ATOM 0 H HIS A 797 3.274 7.538 0.824 1.00 0.00 H new ATOM 0 HA HIS A 797 1.644 7.825 -1.531 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.611 8.112 0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 797 1.851 9.227 1.149 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.569 11.885 0.204 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.259 11.288 -1.527 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.525 13.026 -0.850 1.00 0.00 H new ATOM 878 N LYS A 798 4.260 9.545 -1.378 1.00 0.00 N ATOM 879 CA LYS A 798 5.063 10.593 -1.997 1.00 0.00 C ATOM 880 C LYS A 798 5.596 10.142 -3.353 1.00 0.00 C ATOM 881 O LYS A 798 5.863 10.963 -4.231 1.00 0.00 O ATOM 882 CB LYS A 798 6.227 10.980 -1.082 1.00 0.00 C ATOM 883 CG LYS A 798 7.287 11.823 -1.770 1.00 0.00 C ATOM 884 CD LYS A 798 6.841 13.268 -1.918 1.00 0.00 C ATOM 885 CE LYS A 798 7.903 14.111 -2.608 1.00 0.00 C ATOM 886 NZ LYS A 798 7.371 15.436 -3.029 1.00 0.00 N ATOM 0 H LYS A 798 4.801 8.845 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 798 4.424 11.463 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 798 5.837 11.530 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.691 10.073 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 798 8.213 11.784 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 798 7.503 11.406 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 798 5.915 13.307 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 798 6.625 13.686 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 798 8.747 14.256 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.280 13.577 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 8.125 15.981 -3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 6.582 15.298 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 7.034 15.956 -2.194 1.00 0.00 H new ATOM 900 N TYR A 799 5.749 8.832 -3.517 1.00 0.00 N ATOM 901 CA TYR A 799 6.251 8.272 -4.766 1.00 0.00 C ATOM 902 C TYR A 799 5.112 7.699 -5.603 1.00 0.00 C ATOM 903 O TYR A 799 5.295 6.728 -6.338 1.00 0.00 O ATOM 904 CB TYR A 799 7.287 7.183 -4.480 1.00 0.00 C ATOM 905 CG TYR A 799 8.562 7.709 -3.861 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.533 8.456 -2.690 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.797 7.458 -4.447 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.695 8.939 -2.121 1.00 0.00 C ATOM 909 CE2 TYR A 799 10.965 7.936 -3.885 1.00 0.00 C ATOM 910 CZ TYR A 799 10.909 8.676 -2.722 1.00 0.00 C ATOM 911 OH TYR A 799 12.070 9.154 -2.159 1.00 0.00 O ATOM 0 H TYR A 799 5.533 8.139 -2.801 1.00 0.00 H new ATOM 0 HA TYR A 799 6.724 9.075 -5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.848 6.442 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.529 6.670 -5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.585 8.663 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.844 6.879 -5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.654 9.519 -1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 799 11.916 7.732 -4.353 1.00 0.00 H new ATOM 0 HH TYR A 799 12.836 8.879 -2.705 1.00 0.00 H new ATOM 921 N ILE A 800 3.936 8.307 -5.485 1.00 0.00 N ATOM 922 CA ILE A 800 2.767 7.859 -6.232 1.00 0.00 C ATOM 923 C ILE A 800 1.830 9.023 -6.536 1.00 0.00 C ATOM 924 O ILE A 800 1.947 10.099 -5.950 1.00 0.00 O ATOM 925 CB ILE A 800 1.988 6.776 -5.462 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.389 7.361 -4.181 1.00 0.00 C ATOM 927 CG2 ILE A 800 2.897 5.599 -5.139 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.160 6.623 -3.697 1.00 0.00 C ATOM 0 H ILE A 800 3.768 9.111 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 800 3.133 7.436 -7.167 1.00 0.00 H new ATOM 0 HB ILE A 800 1.173 6.419 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 800 2.145 7.345 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 800 1.131 8.406 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.332 4.842 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.280 5.170 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.731 5.941 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 800 -0.211 7.092 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 800 -0.613 6.661 -4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 800 0.417 5.584 -3.491 1.00 0.00 H new ATOM 940 N THR A 801 0.898 8.800 -7.458 1.00 0.00 N ATOM 941 CA THR A 801 -0.060 9.829 -7.840 1.00 0.00 C ATOM 942 C THR A 801 -1.486 9.290 -7.815 1.00 0.00 C ATOM 943 O THR A 801 -1.956 8.701 -8.790 1.00 0.00 O ATOM 944 CB THR A 801 0.242 10.383 -9.245 1.00 0.00 C ATOM 945 OG1 THR A 801 1.421 11.194 -9.209 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.929 11.204 -9.766 1.00 0.00 C ATOM 0 H THR A 801 0.787 7.915 -7.954 1.00 0.00 H new ATOM 0 HA THR A 801 0.034 10.634 -7.111 1.00 0.00 H new ATOM 0 HB THR A 801 0.402 9.540 -9.917 1.00 0.00 H new ATOM 0 HG1 THR A 801 1.607 11.541 -10.106 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.693 11.585 -10.760 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.818 10.576 -9.820 1.00 0.00 H new ATOM 0 HG23 THR A 801 -1.116 12.040 -9.092 1.00 0.00 H new ATOM 954 N LEU A 802 -2.171 9.494 -6.695 1.00 0.00 N ATOM 955 CA LEU A 802 -3.545 9.029 -6.543 1.00 0.00 C ATOM 956 C LEU A 802 -4.430 9.569 -7.661 1.00 0.00 C ATOM 957 O LEU A 802 -4.158 10.615 -8.251 1.00 0.00 O ATOM 958 CB LEU A 802 -4.102 9.458 -5.184 1.00 0.00 C ATOM 959 CG LEU A 802 -3.549 8.715 -3.967 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.191 9.233 -2.689 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.773 7.217 -4.110 1.00 0.00 C ATOM 0 H LEU A 802 -1.797 9.978 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.542 7.941 -6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.908 10.523 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.184 9.331 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.476 8.897 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.786 8.693 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.979 10.297 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.269 9.081 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.373 6.704 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.841 7.015 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.265 6.857 -5.005 1.00 0.00 H new ATOM 973 N PRO A 803 -5.516 8.842 -7.961 1.00 0.00 N ATOM 974 CA PRO A 803 -6.465 9.230 -9.008 1.00 0.00 C ATOM 975 C PRO A 803 -7.276 10.464 -8.628 1.00 0.00 C ATOM 976 O PRO A 803 -7.384 11.411 -9.406 1.00 0.00 O ATOM 977 CB PRO A 803 -7.378 8.007 -9.131 1.00 0.00 C ATOM 978 CG PRO A 803 -7.298 7.340 -7.802 1.00 0.00 C ATOM 979 CD PRO A 803 -5.902 7.584 -7.299 1.00 0.00 C ATOM 0 HA PRO A 803 -5.960 9.497 -9.936 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.401 8.299 -9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -7.045 7.343 -9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -8.038 7.750 -7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.501 6.272 -7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.877 7.677 -6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -5.231 6.768 -7.565 1.00 0.00 H new ATOM 987 N ALA A 804 -7.844 10.446 -7.426 1.00 0.00 N ATOM 988 CA ALA A 804 -8.643 11.565 -6.942 1.00 0.00 C ATOM 989 C ALA A 804 -8.823 11.497 -5.429 1.00 0.00 C ATOM 990 O ALA A 804 -8.636 10.445 -4.819 1.00 0.00 O ATOM 991 CB ALA A 804 -9.997 11.586 -7.636 1.00 0.00 C ATOM 0 H ALA A 804 -7.765 9.669 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 804 -8.112 12.487 -7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 804 -10.583 12.427 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 804 -9.853 11.691 -8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 804 -10.526 10.656 -7.430 1.00 0.00 H new ATOM 997 N GLY A 805 -9.186 12.626 -4.830 1.00 0.00 N ATOM 998 CA GLY A 805 -9.384 12.673 -3.393 1.00 0.00 C ATOM 999 C GLY A 805 -8.077 12.755 -2.630 1.00 0.00 C ATOM 1000 O GLY A 805 -7.917 12.120 -1.586 1.00 0.00 O ATOM 0 H GLY A 805 -9.347 13.509 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 805 -10.002 13.535 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 805 -9.931 11.785 -3.076 1.00 0.00 H new ATOM 1004 N THR A 806 -7.137 13.537 -3.151 1.00 0.00 N ATOM 1005 CA THR A 806 -5.836 13.697 -2.513 1.00 0.00 C ATOM 1006 C THR A 806 -5.836 14.882 -1.554 1.00 0.00 C ATOM 1007 O THR A 806 -5.300 14.797 -0.450 1.00 0.00 O ATOM 1008 CB THR A 806 -4.720 13.896 -3.557 1.00 0.00 C ATOM 1009 OG1 THR A 806 -4.801 15.212 -4.116 1.00 0.00 O ATOM 1010 CG2 THR A 806 -4.826 12.860 -4.666 1.00 0.00 C ATOM 0 H THR A 806 -7.252 14.070 -4.013 1.00 0.00 H new ATOM 0 HA THR A 806 -5.643 12.781 -1.954 1.00 0.00 H new ATOM 0 HB THR A 806 -3.759 13.773 -3.058 1.00 0.00 H new ATOM 0 HG1 THR A 806 -4.619 15.170 -5.078 1.00 0.00 H new ATOM 0 HG21 THR A 806 -4.028 13.020 -5.391 1.00 0.00 H new ATOM 0 HG22 THR A 806 -4.734 11.861 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 806 -5.792 12.956 -5.162 1.00 0.00 H new ATOM 1018 N GLU A 807 -6.441 15.985 -1.983 1.00 0.00 N ATOM 1019 CA GLU A 807 -6.510 17.187 -1.160 1.00 0.00 C ATOM 1020 C GLU A 807 -5.114 17.646 -0.750 1.00 0.00 C ATOM 1021 O GLU A 807 -4.937 18.285 0.287 1.00 0.00 O ATOM 1022 CB GLU A 807 -7.361 16.931 0.086 1.00 0.00 C ATOM 1023 CG GLU A 807 -8.790 16.520 -0.227 1.00 0.00 C ATOM 1024 CD GLU A 807 -9.639 17.681 -0.705 1.00 0.00 C ATOM 1025 OE1 GLU A 807 -9.517 18.782 -0.127 1.00 0.00 O ATOM 1026 OE2 GLU A 807 -10.426 17.490 -1.655 1.00 0.00 O ATOM 0 H GLU A 807 -6.890 16.071 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 807 -6.974 17.976 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 807 -6.890 16.150 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 807 -7.377 17.834 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 807 -8.781 15.742 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 807 -9.243 16.086 0.665 1.00 0.00 H new ATOM 1033 N LYS A 808 -4.124 17.316 -1.573 1.00 0.00 N ATOM 1034 CA LYS A 808 -2.742 17.694 -1.299 1.00 0.00 C ATOM 1035 C LYS A 808 -2.634 19.187 -1.007 1.00 0.00 C ATOM 1036 O LYS A 808 -3.577 19.944 -1.241 1.00 0.00 O ATOM 1037 CB LYS A 808 -1.847 17.329 -2.485 1.00 0.00 C ATOM 1038 CG LYS A 808 -2.015 18.251 -3.680 1.00 0.00 C ATOM 1039 CD LYS A 808 -3.144 17.790 -4.587 1.00 0.00 C ATOM 1040 CE LYS A 808 -3.243 18.653 -5.835 1.00 0.00 C ATOM 1041 NZ LYS A 808 -2.166 18.338 -6.814 1.00 0.00 N ATOM 0 H LYS A 808 -4.253 16.787 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 808 -2.409 17.145 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 808 -0.806 17.351 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 808 -2.065 16.306 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 808 -2.217 19.264 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 808 -1.084 18.287 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 808 -2.981 16.751 -4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 808 -4.088 17.826 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 808 -4.215 18.503 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 808 -3.183 19.705 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 808 -2.288 18.923 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 808 -1.239 18.538 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 808 -2.218 17.333 -7.075 1.00 0.00 H new ATOM 1055 N GLN A 809 -1.480 19.604 -0.498 1.00 0.00 N ATOM 1056 CA GLN A 809 -1.250 21.008 -0.176 1.00 0.00 C ATOM 1057 C GLN A 809 -1.533 21.896 -1.383 1.00 0.00 C ATOM 1058 O GLN A 809 -1.278 21.511 -2.524 1.00 0.00 O ATOM 1059 CB GLN A 809 0.189 21.215 0.299 1.00 0.00 C ATOM 1060 CG GLN A 809 0.477 20.596 1.657 1.00 0.00 C ATOM 1061 CD GLN A 809 -0.078 21.419 2.803 1.00 0.00 C ATOM 1062 OE1 GLN A 809 -1.285 21.432 3.046 1.00 0.00 O ATOM 1063 NE2 GLN A 809 0.803 22.112 3.515 1.00 0.00 N ATOM 0 H GLN A 809 -0.690 18.991 -0.300 1.00 0.00 H new ATOM 0 HA GLN A 809 -1.933 21.288 0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 809 0.871 20.789 -0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 809 0.397 22.284 0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 809 0.049 19.594 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 809 1.554 20.487 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 809 1.794 22.072 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 809 0.488 22.684 4.299 1.00 0.00 H new ATOM 1072 N VAL A 810 -2.061 23.089 -1.124 1.00 0.00 N ATOM 1073 CA VAL A 810 -2.377 24.033 -2.189 1.00 0.00 C ATOM 1074 C VAL A 810 -1.166 24.283 -3.079 1.00 0.00 C ATOM 1075 O VAL A 810 -0.229 24.980 -2.689 1.00 0.00 O ATOM 1076 CB VAL A 810 -2.869 25.377 -1.619 1.00 0.00 C ATOM 1077 CG1 VAL A 810 -3.219 26.338 -2.745 1.00 0.00 C ATOM 1078 CG2 VAL A 810 -4.062 25.161 -0.700 1.00 0.00 C ATOM 0 H VAL A 810 -2.279 23.424 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 810 -3.174 23.585 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 810 -2.064 25.820 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 810 -3.565 27.282 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 810 -2.336 26.516 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 810 -4.008 25.905 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 810 -4.396 26.121 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 810 -4.873 24.696 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 810 -3.772 24.511 0.126 1.00 0.00 H new ATOM 1088 N VAL A 811 -1.191 23.710 -4.278 1.00 0.00 N ATOM 1089 CA VAL A 811 -0.095 23.873 -5.226 1.00 0.00 C ATOM 1090 C VAL A 811 -0.309 25.097 -6.109 1.00 0.00 C ATOM 1091 O VAL A 811 -1.374 25.271 -6.700 1.00 0.00 O ATOM 1092 CB VAL A 811 0.062 22.629 -6.121 1.00 0.00 C ATOM 1093 CG1 VAL A 811 1.130 22.863 -7.178 1.00 0.00 C ATOM 1094 CG2 VAL A 811 0.392 21.406 -5.279 1.00 0.00 C ATOM 0 H VAL A 811 -1.958 23.129 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 811 0.814 24.007 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 811 -0.885 22.447 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 811 1.227 21.974 -7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 811 0.847 23.712 -7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 811 2.083 23.071 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 811 0.499 20.536 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 811 1.325 21.575 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 811 -0.412 21.229 -4.564 1.00 0.00 H new ATOM 1104 N GLY A 812 0.713 25.944 -6.195 1.00 0.00 N ATOM 1105 CA GLY A 812 0.617 27.141 -7.009 1.00 0.00 C ATOM 1106 C GLY A 812 0.371 26.830 -8.472 1.00 0.00 C ATOM 1107 O GLY A 812 0.657 25.727 -8.936 1.00 0.00 O ATOM 0 H GLY A 812 1.605 25.822 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 812 -0.192 27.768 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 812 1.538 27.717 -6.913 1.00 0.00 H new ATOM 1111 N ALA A 813 -0.163 27.805 -9.201 1.00 0.00 N ATOM 1112 CA ALA A 813 -0.447 27.630 -10.620 1.00 0.00 C ATOM 1113 C ALA A 813 0.484 28.481 -11.476 1.00 0.00 C ATOM 1114 O ALA A 813 0.839 29.598 -11.102 1.00 0.00 O ATOM 1115 CB ALA A 813 -1.900 27.975 -10.914 1.00 0.00 C ATOM 0 H ALA A 813 -0.407 28.724 -8.832 1.00 0.00 H new ATOM 0 HA ALA A 813 -0.275 26.584 -10.873 1.00 0.00 H new ATOM 0 HB1 ALA A 813 -2.098 27.840 -11.977 1.00 0.00 H new ATOM 0 HB2 ALA A 813 -2.553 27.320 -10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 813 -2.091 29.012 -10.638 1.00 0.00 H new ATOM 1121 N GLY A 814 0.878 27.945 -12.627 1.00 0.00 N ATOM 1122 CA GLY A 814 1.766 28.669 -13.517 1.00 0.00 C ATOM 1123 C GLY A 814 2.947 29.279 -12.789 1.00 0.00 C ATOM 1124 O GLY A 814 3.879 28.572 -12.404 1.00 0.00 O ATOM 0 H GLY A 814 0.598 27.022 -12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 814 2.130 27.993 -14.291 1.00 0.00 H new ATOM 0 HA3 GLY A 814 1.207 29.458 -14.020 1.00 0.00 H new TER 1128 GLY A 814