USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 629 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 804 SER OG : rot 126:sc= 0.333 USER MOD Set 1.2: A 843 TYR OH : rot 180:sc= 0.189 USER MOD Set 2.1: A 818 LYS NZ :NH3+ 134:sc= 1.25 (180deg=-0.0153) USER MOD Set 2.2: A 827 TYR OH : rot 150:sc= 1.06 USER MOD Single : A 778 SER OG : rot 180:sc= 0 USER MOD Single : A 779 SER OG : rot 180:sc= 0 USER MOD Single : A 781 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 782 SER OG : rot 180:sc= 0 USER MOD Single : A 785 LYS NZ :NH3+ -148:sc= -0.427 (180deg=-1.74!) USER MOD Single : A 788 SER OG : rot 180:sc= 0 USER MOD Single : A 789 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 THR OG1 : rot 38:sc= 0.926 USER MOD Single : A 794 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 797 SER OG : rot 180:sc= 0 USER MOD Single : A 805 ASN : amide:sc= -5! C(o=-5!,f=-11!) USER MOD Single : A 806 HIS : no HE2:sc= -1.96! K(o=-2!,f=-1.2) USER MOD Single : A 807 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 811 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 812 SER OG : rot -94:sc= 0.0126 USER MOD Single : A 815 SER OG : rot 180:sc= 0 USER MOD Single : A 816 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 820 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 823 SER OG : rot -50:sc= 0.298 USER MOD Single : A 828 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 833 SER OG : rot 180:sc= 0 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 MET CE :methyl -138:sc= 0 (180deg=-0.0837) USER MOD Single : A 841 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00704) USER MOD Single : A 842 GLN : amide:sc= -0.925 K(o=-0.92,f=-7.4!) USER MOD Single : A 846 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 849 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 850 ASN : amide:sc= -1.72! C(o=-1.7!,f=-3.8!) USER MOD Single : A 853 SER OG : rot 22:sc= 0.039 USER MOD Single : A 854 SER OG : rot 180:sc= 0 USER MOD Single : A 857 SER OG : rot 180:sc= 0 USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 777 -1.393 -16.848 -9.638 1.00 0.00 N ATOM 2 CA GLY A 777 -0.577 -17.308 -8.531 1.00 0.00 C ATOM 3 C GLY A 777 -0.665 -18.808 -8.328 1.00 0.00 C ATOM 4 O GLY A 777 -1.730 -19.402 -8.497 1.00 0.00 O ATOM 0 HA2 GLY A 777 0.462 -17.029 -8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 777 -0.891 -16.802 -7.618 1.00 0.00 H new ATOM 8 N SER A 778 0.457 -19.422 -7.967 1.00 0.00 N ATOM 9 CA SER A 778 0.503 -20.863 -7.747 1.00 0.00 C ATOM 10 C SER A 778 -0.608 -21.304 -6.800 1.00 0.00 C ATOM 11 O SER A 778 -1.035 -20.545 -5.930 1.00 0.00 O ATOM 12 CB SER A 778 1.864 -21.270 -7.180 1.00 0.00 C ATOM 13 OG SER A 778 2.920 -20.813 -8.008 1.00 0.00 O ATOM 0 H SER A 778 1.346 -18.944 -7.821 1.00 0.00 H new ATOM 0 HA SER A 778 0.355 -21.357 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 778 1.981 -20.860 -6.177 1.00 0.00 H new ATOM 0 HB3 SER A 778 1.913 -22.355 -7.088 1.00 0.00 H new ATOM 0 HG SER A 778 3.779 -21.085 -7.622 1.00 0.00 H new ATOM 19 N SER A 779 -1.073 -22.536 -6.976 1.00 0.00 N ATOM 20 CA SER A 779 -2.138 -23.079 -6.140 1.00 0.00 C ATOM 21 C SER A 779 -1.648 -24.292 -5.356 1.00 0.00 C ATOM 22 O SER A 779 -1.444 -25.367 -5.917 1.00 0.00 O ATOM 23 CB SER A 779 -3.343 -23.465 -7.000 1.00 0.00 C ATOM 24 OG SER A 779 -4.310 -24.165 -6.236 1.00 0.00 O ATOM 0 H SER A 779 -0.729 -23.178 -7.690 1.00 0.00 H new ATOM 0 HA SER A 779 -2.439 -22.308 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 779 -3.792 -22.568 -7.427 1.00 0.00 H new ATOM 0 HB3 SER A 779 -3.015 -24.085 -7.834 1.00 0.00 H new ATOM 0 HG SER A 779 -5.071 -24.399 -6.807 1.00 0.00 H new ATOM 30 N GLY A 780 -1.461 -24.110 -4.052 1.00 0.00 N ATOM 31 CA GLY A 780 -0.997 -25.197 -3.210 1.00 0.00 C ATOM 32 C GLY A 780 -0.731 -24.754 -1.785 1.00 0.00 C ATOM 33 O GLY A 780 -0.221 -23.658 -1.553 1.00 0.00 O ATOM 0 H GLY A 780 -1.623 -23.229 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 780 -1.742 -25.993 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 780 -0.084 -25.616 -3.633 1.00 0.00 H new ATOM 37 N SER A 781 -1.078 -25.608 -0.827 1.00 0.00 N ATOM 38 CA SER A 781 -0.879 -25.296 0.583 1.00 0.00 C ATOM 39 C SER A 781 -0.077 -26.395 1.274 1.00 0.00 C ATOM 40 O SER A 781 0.850 -26.117 2.035 1.00 0.00 O ATOM 41 CB SER A 781 -2.228 -25.117 1.283 1.00 0.00 C ATOM 42 OG SER A 781 -2.959 -26.330 1.300 1.00 0.00 O ATOM 0 H SER A 781 -1.498 -26.521 -1.002 1.00 0.00 H new ATOM 0 HA SER A 781 -0.317 -24.364 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 781 -2.068 -24.771 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 781 -2.807 -24.347 0.772 1.00 0.00 H new ATOM 0 HG SER A 781 -3.816 -26.189 1.754 1.00 0.00 H new ATOM 48 N SER A 782 -0.442 -27.644 1.004 1.00 0.00 N ATOM 49 CA SER A 782 0.241 -28.786 1.602 1.00 0.00 C ATOM 50 C SER A 782 1.523 -29.112 0.842 1.00 0.00 C ATOM 51 O SER A 782 1.483 -29.658 -0.260 1.00 0.00 O ATOM 52 CB SER A 782 -0.681 -30.007 1.617 1.00 0.00 C ATOM 53 OG SER A 782 -1.525 -29.994 2.755 1.00 0.00 O ATOM 0 H SER A 782 -1.206 -27.891 0.375 1.00 0.00 H new ATOM 0 HA SER A 782 0.504 -28.525 2.627 1.00 0.00 H new ATOM 0 HB2 SER A 782 -1.287 -30.020 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 782 -0.083 -30.918 1.614 1.00 0.00 H new ATOM 0 HG SER A 782 -2.106 -30.783 2.741 1.00 0.00 H new ATOM 59 N GLY A 783 2.661 -28.772 1.440 1.00 0.00 N ATOM 60 CA GLY A 783 3.939 -29.035 0.806 1.00 0.00 C ATOM 61 C GLY A 783 5.081 -28.297 1.475 1.00 0.00 C ATOM 62 O GLY A 783 5.262 -28.390 2.689 1.00 0.00 O ATOM 0 H GLY A 783 2.720 -28.319 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 783 4.139 -30.106 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 783 3.887 -28.744 -0.243 1.00 0.00 H new ATOM 66 N GLU A 784 5.855 -27.562 0.682 1.00 0.00 N ATOM 67 CA GLU A 784 6.987 -26.807 1.206 1.00 0.00 C ATOM 68 C GLU A 784 6.891 -25.337 0.808 1.00 0.00 C ATOM 69 O GLU A 784 6.400 -25.004 -0.271 1.00 0.00 O ATOM 70 CB GLU A 784 8.303 -27.400 0.698 1.00 0.00 C ATOM 71 CG GLU A 784 8.716 -28.672 1.418 1.00 0.00 C ATOM 72 CD GLU A 784 9.812 -29.426 0.689 1.00 0.00 C ATOM 73 OE1 GLU A 784 9.790 -29.443 -0.559 1.00 0.00 O ATOM 74 OE2 GLU A 784 10.691 -29.998 1.367 1.00 0.00 O ATOM 0 H GLU A 784 5.719 -27.474 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 784 6.963 -26.873 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 784 8.210 -27.610 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 784 9.093 -26.657 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 784 9.058 -28.422 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 784 7.847 -29.320 1.530 1.00 0.00 H new ATOM 81 N LYS A 785 7.363 -24.460 1.688 1.00 0.00 N ATOM 82 CA LYS A 785 7.333 -23.026 1.431 1.00 0.00 C ATOM 83 C LYS A 785 8.673 -22.542 0.885 1.00 0.00 C ATOM 84 O LYS A 785 9.161 -21.479 1.268 1.00 0.00 O ATOM 85 CB LYS A 785 6.987 -22.264 2.712 1.00 0.00 C ATOM 86 CG LYS A 785 7.981 -22.486 3.839 1.00 0.00 C ATOM 87 CD LYS A 785 7.482 -21.896 5.147 1.00 0.00 C ATOM 88 CE LYS A 785 6.623 -22.888 5.915 1.00 0.00 C ATOM 89 NZ LYS A 785 5.224 -22.923 5.405 1.00 0.00 N ATOM 0 H LYS A 785 7.771 -24.718 2.586 1.00 0.00 H new ATOM 0 HA LYS A 785 6.565 -22.833 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 785 6.936 -21.198 2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 785 5.995 -22.567 3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 785 8.157 -23.554 3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 785 8.937 -22.034 3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 785 8.332 -21.598 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 785 6.904 -20.994 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 785 7.062 -23.883 5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 785 6.618 -22.621 6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 4.574 -23.134 6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 4.981 -21.999 4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 5.138 -23.660 4.676 1.00 0.00 H new ATOM 103 N GLU A 786 9.261 -23.328 -0.011 1.00 0.00 N ATOM 104 CA GLU A 786 10.544 -22.978 -0.608 1.00 0.00 C ATOM 105 C GLU A 786 10.346 -22.219 -1.917 1.00 0.00 C ATOM 106 O GLU A 786 11.035 -22.473 -2.905 1.00 0.00 O ATOM 107 CB GLU A 786 11.376 -24.238 -0.858 1.00 0.00 C ATOM 108 CG GLU A 786 10.683 -25.260 -1.743 1.00 0.00 C ATOM 109 CD GLU A 786 11.661 -26.091 -2.550 1.00 0.00 C ATOM 110 OE1 GLU A 786 12.168 -25.585 -3.573 1.00 0.00 O ATOM 111 OE2 GLU A 786 11.921 -27.248 -2.158 1.00 0.00 O ATOM 0 H GLU A 786 8.870 -24.211 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 786 11.076 -22.332 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 786 12.322 -23.953 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 786 11.615 -24.701 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 786 10.076 -25.920 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 786 10.003 -24.746 -2.422 1.00 0.00 H new ATOM 118 N ASP A 787 9.398 -21.288 -1.916 1.00 0.00 N ATOM 119 CA ASP A 787 9.108 -20.491 -3.102 1.00 0.00 C ATOM 120 C ASP A 787 9.235 -19.001 -2.800 1.00 0.00 C ATOM 121 O ASP A 787 8.978 -18.560 -1.680 1.00 0.00 O ATOM 122 CB ASP A 787 7.703 -20.801 -3.621 1.00 0.00 C ATOM 123 CG ASP A 787 6.639 -20.607 -2.559 1.00 0.00 C ATOM 124 OD1 ASP A 787 6.746 -21.241 -1.488 1.00 0.00 O ATOM 125 OD2 ASP A 787 5.699 -19.821 -2.799 1.00 0.00 O ATOM 0 H ASP A 787 8.817 -21.067 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 787 9.836 -20.751 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 787 7.483 -20.158 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 787 7.670 -21.829 -3.981 1.00 0.00 H new ATOM 130 N SER A 788 9.634 -18.230 -3.807 1.00 0.00 N ATOM 131 CA SER A 788 9.799 -16.790 -3.648 1.00 0.00 C ATOM 132 C SER A 788 8.481 -16.061 -3.891 1.00 0.00 C ATOM 133 O SER A 788 8.238 -14.990 -3.334 1.00 0.00 O ATOM 134 CB SER A 788 10.868 -16.269 -4.610 1.00 0.00 C ATOM 135 OG SER A 788 11.462 -15.080 -4.118 1.00 0.00 O ATOM 0 H SER A 788 9.849 -18.579 -4.741 1.00 0.00 H new ATOM 0 HA SER A 788 10.117 -16.597 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 788 11.635 -17.030 -4.753 1.00 0.00 H new ATOM 0 HB3 SER A 788 10.422 -16.079 -5.586 1.00 0.00 H new ATOM 0 HG SER A 788 12.143 -14.768 -4.750 1.00 0.00 H new ATOM 141 N LYS A 789 7.633 -16.650 -4.727 1.00 0.00 N ATOM 142 CA LYS A 789 6.338 -16.060 -5.045 1.00 0.00 C ATOM 143 C LYS A 789 5.544 -15.774 -3.775 1.00 0.00 C ATOM 144 O LYS A 789 5.001 -14.682 -3.601 1.00 0.00 O ATOM 145 CB LYS A 789 5.540 -16.992 -5.959 1.00 0.00 C ATOM 146 CG LYS A 789 6.214 -17.258 -7.294 1.00 0.00 C ATOM 147 CD LYS A 789 6.178 -16.032 -8.191 1.00 0.00 C ATOM 148 CE LYS A 789 4.833 -15.889 -8.886 1.00 0.00 C ATOM 149 NZ LYS A 789 4.827 -14.759 -9.856 1.00 0.00 N ATOM 0 H LYS A 789 7.819 -17.536 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 789 6.514 -15.117 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 789 5.380 -17.941 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 789 4.557 -16.557 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 789 7.249 -17.557 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 789 5.718 -18.090 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 789 6.379 -15.140 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 789 6.969 -16.103 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 789 4.593 -16.816 -9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 789 4.054 -15.732 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 789 3.893 -14.695 -10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 789 5.031 -13.871 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 789 5.553 -14.921 -10.583 1.00 0.00 H new ATOM 163 N THR A 790 5.480 -16.762 -2.887 1.00 0.00 N ATOM 164 CA THR A 790 4.752 -16.616 -1.632 1.00 0.00 C ATOM 165 C THR A 790 5.078 -15.288 -0.959 1.00 0.00 C ATOM 166 O THR A 790 4.290 -14.774 -0.165 1.00 0.00 O ATOM 167 CB THR A 790 5.076 -17.765 -0.659 1.00 0.00 C ATOM 168 OG1 THR A 790 4.446 -17.528 0.605 1.00 0.00 O ATOM 169 CG2 THR A 790 6.578 -17.903 -0.465 1.00 0.00 C ATOM 0 H THR A 790 5.924 -17.672 -3.014 1.00 0.00 H new ATOM 0 HA THR A 790 3.690 -16.645 -1.877 1.00 0.00 H new ATOM 0 HB THR A 790 4.695 -18.692 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 790 3.559 -17.138 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 790 6.782 -18.721 0.226 1.00 0.00 H new ATOM 0 HG22 THR A 790 7.051 -18.112 -1.424 1.00 0.00 H new ATOM 0 HG23 THR A 790 6.979 -16.975 -0.057 1.00 0.00 H new ATOM 177 N ARG A 791 6.243 -14.736 -1.282 1.00 0.00 N ATOM 178 CA ARG A 791 6.673 -13.467 -0.707 1.00 0.00 C ATOM 179 C ARG A 791 5.694 -12.351 -1.060 1.00 0.00 C ATOM 180 O ARG A 791 5.315 -11.551 -0.206 1.00 0.00 O ATOM 181 CB ARG A 791 8.074 -13.107 -1.203 1.00 0.00 C ATOM 182 CG ARG A 791 8.615 -11.814 -0.614 1.00 0.00 C ATOM 183 CD ARG A 791 9.851 -11.336 -1.360 1.00 0.00 C ATOM 184 NE ARG A 791 10.432 -10.144 -0.749 1.00 0.00 N ATOM 185 CZ ARG A 791 11.121 -10.162 0.387 1.00 0.00 C ATOM 186 NH1 ARG A 791 11.313 -11.305 1.032 1.00 0.00 N ATOM 187 NH2 ARG A 791 11.619 -9.036 0.881 1.00 0.00 N ATOM 0 H ARG A 791 6.906 -15.148 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 791 6.696 -13.577 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 791 8.757 -13.921 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 791 8.055 -13.021 -2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 791 7.844 -11.044 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 791 8.859 -11.966 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 791 10.594 -12.133 -1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 791 9.589 -11.121 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 791 10.302 -9.249 -1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 791 10.931 -12.173 0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 791 11.842 -11.316 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 791 11.473 -8.155 0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 791 12.148 -9.052 1.753 1.00 0.00 H new ATOM 201 N GLY A 792 5.289 -12.304 -2.325 1.00 0.00 N ATOM 202 CA GLY A 792 4.358 -11.283 -2.769 1.00 0.00 C ATOM 203 C GLY A 792 3.158 -11.154 -1.853 1.00 0.00 C ATOM 204 O GLY A 792 2.701 -10.047 -1.571 1.00 0.00 O ATOM 0 H GLY A 792 5.589 -12.955 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 792 4.874 -10.324 -2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 792 4.018 -11.520 -3.777 1.00 0.00 H new ATOM 208 N GLU A 793 2.645 -12.290 -1.389 1.00 0.00 N ATOM 209 CA GLU A 793 1.489 -12.298 -0.501 1.00 0.00 C ATOM 210 C GLU A 793 1.571 -11.159 0.510 1.00 0.00 C ATOM 211 O GLU A 793 0.644 -10.358 0.638 1.00 0.00 O ATOM 212 CB GLU A 793 1.389 -13.638 0.231 1.00 0.00 C ATOM 213 CG GLU A 793 0.970 -14.792 -0.665 1.00 0.00 C ATOM 214 CD GLU A 793 0.914 -16.114 0.074 1.00 0.00 C ATOM 215 OE1 GLU A 793 1.869 -16.417 0.820 1.00 0.00 O ATOM 216 OE2 GLU A 793 -0.084 -16.846 -0.093 1.00 0.00 O ATOM 0 H GLU A 793 3.012 -13.215 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 793 0.596 -12.157 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 793 2.355 -13.870 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 793 0.672 -13.544 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 793 -0.009 -14.578 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 793 1.670 -14.874 -1.496 1.00 0.00 H new ATOM 223 N LYS A 794 2.687 -11.092 1.228 1.00 0.00 N ATOM 224 CA LYS A 794 2.893 -10.052 2.229 1.00 0.00 C ATOM 225 C LYS A 794 2.703 -8.666 1.619 1.00 0.00 C ATOM 226 O LYS A 794 1.788 -7.932 1.996 1.00 0.00 O ATOM 227 CB LYS A 794 4.294 -10.167 2.833 1.00 0.00 C ATOM 228 CG LYS A 794 4.410 -9.555 4.219 1.00 0.00 C ATOM 229 CD LYS A 794 5.844 -9.581 4.721 1.00 0.00 C ATOM 230 CE LYS A 794 6.699 -8.535 4.023 1.00 0.00 C ATOM 231 NZ LYS A 794 8.154 -8.801 4.196 1.00 0.00 N ATOM 0 H LYS A 794 3.464 -11.747 1.135 1.00 0.00 H new ATOM 0 HA LYS A 794 2.152 -10.188 3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 794 4.573 -11.219 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 794 5.008 -9.680 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 794 4.050 -8.526 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 794 3.770 -10.100 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 794 5.857 -9.404 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 794 6.270 -10.570 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 794 6.457 -8.519 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 794 6.461 -7.548 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 794 8.702 -8.066 3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 794 8.391 -8.792 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 794 8.387 -9.732 3.795 1.00 0.00 H new ATOM 245 N ILE A 795 3.570 -8.315 0.676 1.00 0.00 N ATOM 246 CA ILE A 795 3.495 -7.019 0.014 1.00 0.00 C ATOM 247 C ILE A 795 2.058 -6.677 -0.364 1.00 0.00 C ATOM 248 O ILE A 795 1.598 -5.556 -0.148 1.00 0.00 O ATOM 249 CB ILE A 795 4.370 -6.983 -1.253 1.00 0.00 C ATOM 250 CG1 ILE A 795 5.825 -7.305 -0.904 1.00 0.00 C ATOM 251 CG2 ILE A 795 4.270 -5.623 -1.927 1.00 0.00 C ATOM 252 CD1 ILE A 795 6.584 -7.968 -2.032 1.00 0.00 C ATOM 0 H ILE A 795 4.333 -8.910 0.353 1.00 0.00 H new ATOM 0 HA ILE A 795 3.867 -6.280 0.724 1.00 0.00 H new ATOM 0 HB ILE A 795 4.007 -7.739 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 795 6.336 -6.383 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 795 5.845 -7.957 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 795 4.894 -5.613 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 795 3.234 -5.430 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 795 4.610 -4.850 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 795 7.607 -8.167 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 795 6.097 -8.907 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 795 6.595 -7.309 -2.900 1.00 0.00 H new ATOM 264 N LYS A 796 1.353 -7.652 -0.929 1.00 0.00 N ATOM 265 CA LYS A 796 -0.034 -7.457 -1.335 1.00 0.00 C ATOM 266 C LYS A 796 -0.905 -7.092 -0.137 1.00 0.00 C ATOM 267 O LYS A 796 -1.559 -6.049 -0.128 1.00 0.00 O ATOM 268 CB LYS A 796 -0.573 -8.722 -2.005 1.00 0.00 C ATOM 269 CG LYS A 796 -2.022 -8.606 -2.447 1.00 0.00 C ATOM 270 CD LYS A 796 -2.294 -9.439 -3.688 1.00 0.00 C ATOM 271 CE LYS A 796 -3.721 -9.967 -3.703 1.00 0.00 C ATOM 272 NZ LYS A 796 -4.136 -10.404 -5.065 1.00 0.00 N ATOM 0 H LYS A 796 1.720 -8.585 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 796 -0.066 -6.634 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 796 0.045 -8.955 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 796 -0.479 -9.558 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 796 -2.677 -8.931 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 796 -2.259 -7.562 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 796 -2.119 -8.835 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 796 -1.595 -10.275 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 796 -3.806 -10.805 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 796 -4.399 -9.191 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 -5.114 -10.757 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 -4.080 -9.598 -5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 -3.505 -11.162 -5.394 1.00 0.00 H new ATOM 286 N SER A 797 -0.908 -7.958 0.872 1.00 0.00 N ATOM 287 CA SER A 797 -1.702 -7.728 2.074 1.00 0.00 C ATOM 288 C SER A 797 -1.394 -6.359 2.674 1.00 0.00 C ATOM 289 O SER A 797 -2.284 -5.522 2.827 1.00 0.00 O ATOM 290 CB SER A 797 -1.430 -8.823 3.107 1.00 0.00 C ATOM 291 OG SER A 797 -2.527 -8.973 3.991 1.00 0.00 O ATOM 0 H SER A 797 -0.370 -8.825 0.881 1.00 0.00 H new ATOM 0 HA SER A 797 -2.755 -7.755 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 797 -1.237 -9.767 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 797 -0.532 -8.577 3.674 1.00 0.00 H new ATOM 0 HG SER A 797 -2.329 -9.680 4.641 1.00 0.00 H new ATOM 297 N ASP A 798 -0.128 -6.139 3.011 1.00 0.00 N ATOM 298 CA ASP A 798 0.299 -4.872 3.594 1.00 0.00 C ATOM 299 C ASP A 798 -0.235 -3.695 2.785 1.00 0.00 C ATOM 300 O ASP A 798 -0.985 -2.864 3.299 1.00 0.00 O ATOM 301 CB ASP A 798 1.826 -4.808 3.664 1.00 0.00 C ATOM 302 CG ASP A 798 2.353 -3.395 3.507 1.00 0.00 C ATOM 303 OD1 ASP A 798 1.662 -2.451 3.944 1.00 0.00 O ATOM 304 OD2 ASP A 798 3.458 -3.234 2.948 1.00 0.00 O ATOM 0 H ASP A 798 0.621 -6.821 2.891 1.00 0.00 H new ATOM 0 HA ASP A 798 -0.106 -4.809 4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 798 2.161 -5.214 4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 798 2.250 -5.440 2.883 1.00 0.00 H new ATOM 309 N PHE A 799 0.156 -3.629 1.516 1.00 0.00 N ATOM 310 CA PHE A 799 -0.282 -2.551 0.636 1.00 0.00 C ATOM 311 C PHE A 799 -1.740 -2.189 0.905 1.00 0.00 C ATOM 312 O PHE A 799 -2.066 -1.029 1.160 1.00 0.00 O ATOM 313 CB PHE A 799 -0.108 -2.958 -0.828 1.00 0.00 C ATOM 314 CG PHE A 799 -0.073 -1.791 -1.774 1.00 0.00 C ATOM 315 CD1 PHE A 799 0.853 -0.774 -1.606 1.00 0.00 C ATOM 316 CD2 PHE A 799 -0.965 -1.712 -2.831 1.00 0.00 C ATOM 317 CE1 PHE A 799 0.887 0.300 -2.475 1.00 0.00 C ATOM 318 CE2 PHE A 799 -0.936 -0.640 -3.703 1.00 0.00 C ATOM 319 CZ PHE A 799 -0.008 0.367 -3.525 1.00 0.00 C ATOM 0 H PHE A 799 0.775 -4.309 1.074 1.00 0.00 H new ATOM 0 HA PHE A 799 0.335 -1.676 0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 799 0.816 -3.527 -0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -0.925 -3.622 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.556 -0.821 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -1.692 -2.498 -2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.613 1.087 -2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -1.638 -0.590 -4.522 1.00 0.00 H new ATOM 0 HZ PHE A 799 0.018 1.205 -4.205 1.00 0.00 H new ATOM 329 N PHE A 800 -2.613 -3.188 0.844 1.00 0.00 N ATOM 330 CA PHE A 800 -4.037 -2.976 1.079 1.00 0.00 C ATOM 331 C PHE A 800 -4.270 -2.289 2.422 1.00 0.00 C ATOM 332 O PHE A 800 -4.962 -1.275 2.499 1.00 0.00 O ATOM 333 CB PHE A 800 -4.787 -4.309 1.038 1.00 0.00 C ATOM 334 CG PHE A 800 -5.044 -4.809 -0.355 1.00 0.00 C ATOM 335 CD1 PHE A 800 -5.534 -3.957 -1.332 1.00 0.00 C ATOM 336 CD2 PHE A 800 -4.796 -6.131 -0.687 1.00 0.00 C ATOM 337 CE1 PHE A 800 -5.771 -4.415 -2.615 1.00 0.00 C ATOM 338 CE2 PHE A 800 -5.031 -6.594 -1.968 1.00 0.00 C ATOM 339 CZ PHE A 800 -5.520 -5.735 -2.932 1.00 0.00 C ATOM 0 H PHE A 800 -2.360 -4.153 0.634 1.00 0.00 H new ATOM 0 HA PHE A 800 -4.418 -2.329 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 800 -4.212 -5.057 1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 800 -5.739 -4.197 1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 800 -5.733 -2.924 -1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 800 -4.415 -6.807 0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 800 -6.152 -3.741 -3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 800 -4.832 -7.627 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 800 -5.706 -6.095 -3.933 1.00 0.00 H new ATOM 349 N GLU A 801 -3.687 -2.851 3.476 1.00 0.00 N ATOM 350 CA GLU A 801 -3.832 -2.294 4.816 1.00 0.00 C ATOM 351 C GLU A 801 -3.619 -0.783 4.803 1.00 0.00 C ATOM 352 O GLU A 801 -4.540 -0.012 5.074 1.00 0.00 O ATOM 353 CB GLU A 801 -2.840 -2.952 5.776 1.00 0.00 C ATOM 354 CG GLU A 801 -3.161 -4.406 6.082 1.00 0.00 C ATOM 355 CD GLU A 801 -4.116 -4.559 7.250 1.00 0.00 C ATOM 356 OE1 GLU A 801 -5.328 -4.327 7.060 1.00 0.00 O ATOM 357 OE2 GLU A 801 -3.651 -4.912 8.354 1.00 0.00 O ATOM 0 H GLU A 801 -3.110 -3.691 3.428 1.00 0.00 H new ATOM 0 HA GLU A 801 -4.847 -2.497 5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -1.839 -2.892 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -2.822 -2.389 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -3.596 -4.872 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -2.236 -4.940 6.301 1.00 0.00 H new ATOM 364 N LEU A 802 -2.397 -0.367 4.486 1.00 0.00 N ATOM 365 CA LEU A 802 -2.061 1.051 4.438 1.00 0.00 C ATOM 366 C LEU A 802 -3.132 1.840 3.691 1.00 0.00 C ATOM 367 O LEU A 802 -3.833 2.665 4.278 1.00 0.00 O ATOM 368 CB LEU A 802 -0.702 1.251 3.764 1.00 0.00 C ATOM 369 CG LEU A 802 -0.218 2.696 3.644 1.00 0.00 C ATOM 370 CD1 LEU A 802 0.130 3.258 5.014 1.00 0.00 C ATOM 371 CD2 LEU A 802 0.981 2.781 2.710 1.00 0.00 C ATOM 0 H LEU A 802 -1.623 -0.992 4.259 1.00 0.00 H new ATOM 0 HA LEU A 802 -2.010 1.421 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 802 0.044 0.684 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -0.748 0.820 2.764 1.00 0.00 H new ATOM 0 HG LEU A 802 -1.025 3.296 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 802 0.473 4.287 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -0.753 3.233 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 802 0.920 2.657 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 802 1.312 3.817 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 802 1.792 2.168 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 802 0.698 2.419 1.721 1.00 0.00 H new ATOM 383 N LEU A 803 -3.254 1.580 2.394 1.00 0.00 N ATOM 384 CA LEU A 803 -4.242 2.264 1.567 1.00 0.00 C ATOM 385 C LEU A 803 -5.556 2.438 2.320 1.00 0.00 C ATOM 386 O LEU A 803 -6.006 3.560 2.553 1.00 0.00 O ATOM 387 CB LEU A 803 -4.481 1.483 0.273 1.00 0.00 C ATOM 388 CG LEU A 803 -3.254 1.253 -0.609 1.00 0.00 C ATOM 389 CD1 LEU A 803 -3.594 0.329 -1.768 1.00 0.00 C ATOM 390 CD2 LEU A 803 -2.711 2.578 -1.124 1.00 0.00 C ATOM 0 H LEU A 803 -2.681 0.901 1.893 1.00 0.00 H new ATOM 0 HA LEU A 803 -3.853 3.252 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -4.905 0.513 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 803 -5.231 2.013 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 803 -2.482 0.776 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -2.708 0.177 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -3.935 -0.631 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -4.383 0.777 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -1.838 2.395 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 803 -3.479 3.082 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 803 -2.427 3.207 -0.281 1.00 0.00 H new ATOM 402 N SER A 804 -6.168 1.320 2.699 1.00 0.00 N ATOM 403 CA SER A 804 -7.432 1.349 3.425 1.00 0.00 C ATOM 404 C SER A 804 -7.339 2.264 4.642 1.00 0.00 C ATOM 405 O SER A 804 -8.274 3.000 4.952 1.00 0.00 O ATOM 406 CB SER A 804 -7.826 -0.063 3.863 1.00 0.00 C ATOM 407 OG SER A 804 -8.882 -0.029 4.806 1.00 0.00 O ATOM 0 H SER A 804 -5.809 0.383 2.515 1.00 0.00 H new ATOM 0 HA SER A 804 -8.198 1.741 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 804 -8.130 -0.645 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 804 -6.962 -0.566 4.298 1.00 0.00 H new ATOM 0 HG SER A 804 -9.616 -0.600 4.496 1.00 0.00 H new ATOM 413 N ASN A 805 -6.202 2.210 5.329 1.00 0.00 N ATOM 414 CA ASN A 805 -5.986 3.033 6.514 1.00 0.00 C ATOM 415 C ASN A 805 -6.087 4.516 6.172 1.00 0.00 C ATOM 416 O ASN A 805 -6.429 5.338 7.022 1.00 0.00 O ATOM 417 CB ASN A 805 -4.616 2.731 7.126 1.00 0.00 C ATOM 418 CG ASN A 805 -4.426 1.255 7.419 1.00 0.00 C ATOM 419 OD1 ASN A 805 -3.402 0.669 7.069 1.00 0.00 O ATOM 420 ND2 ASN A 805 -5.416 0.648 8.063 1.00 0.00 N ATOM 0 H ASN A 805 -5.417 1.606 5.086 1.00 0.00 H new ATOM 0 HA ASN A 805 -6.763 2.793 7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -3.835 3.067 6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -4.500 3.300 8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -5.346 -0.345 8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -6.247 1.174 8.334 1.00 0.00 H new ATOM 427 N HIS A 806 -5.787 4.851 4.921 1.00 0.00 N ATOM 428 CA HIS A 806 -5.845 6.236 4.465 1.00 0.00 C ATOM 429 C HIS A 806 -7.284 6.654 4.181 1.00 0.00 C ATOM 430 O HIS A 806 -7.564 7.307 3.175 1.00 0.00 O ATOM 431 CB HIS A 806 -4.991 6.418 3.210 1.00 0.00 C ATOM 432 CG HIS A 806 -3.529 6.568 3.497 1.00 0.00 C ATOM 433 ND1 HIS A 806 -2.738 7.524 2.894 1.00 0.00 N ATOM 434 CD2 HIS A 806 -2.714 5.879 4.329 1.00 0.00 C ATOM 435 CE1 HIS A 806 -1.500 7.414 3.343 1.00 0.00 C ATOM 436 NE2 HIS A 806 -1.459 6.424 4.215 1.00 0.00 N ATOM 0 H HIS A 806 -5.501 4.183 4.205 1.00 0.00 H new ATOM 0 HA HIS A 806 -5.451 6.871 5.258 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -5.138 5.561 2.553 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -5.339 7.298 2.668 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -3.058 8.208 2.209 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -2.998 5.053 4.965 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -0.664 8.030 3.047 1.00 0.00 H new ATOM 444 N HIS A 807 -8.193 6.273 5.073 1.00 0.00 N ATOM 445 CA HIS A 807 -9.604 6.609 4.918 1.00 0.00 C ATOM 446 C HIS A 807 -9.983 6.695 3.442 1.00 0.00 C ATOM 447 O HIS A 807 -10.509 7.710 2.983 1.00 0.00 O ATOM 448 CB HIS A 807 -9.914 7.934 5.614 1.00 0.00 C ATOM 449 CG HIS A 807 -9.744 7.884 7.101 1.00 0.00 C ATOM 450 ND1 HIS A 807 -10.497 7.067 7.917 1.00 0.00 N ATOM 451 CD2 HIS A 807 -8.899 8.555 7.918 1.00 0.00 C ATOM 452 CE1 HIS A 807 -10.124 7.239 9.173 1.00 0.00 C ATOM 453 NE2 HIS A 807 -9.155 8.136 9.201 1.00 0.00 N ATOM 0 H HIS A 807 -7.978 5.732 5.910 1.00 0.00 H new ATOM 0 HA HIS A 807 -10.193 5.818 5.381 1.00 0.00 H new ATOM 0 HB2 HIS A 807 -9.264 8.709 5.208 1.00 0.00 H new ATOM 0 HB3 HIS A 807 -10.939 8.225 5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 807 -8.161 9.284 7.617 1.00 0.00 H new ATOM 0 HE1 HIS A 807 -10.541 6.732 10.031 1.00 0.00 H new ATOM 0 HE2 HIS A 807 -8.675 8.464 10.039 1.00 0.00 H new ATOM 461 N LEU A 808 -9.712 5.624 2.704 1.00 0.00 N ATOM 462 CA LEU A 808 -10.024 5.579 1.279 1.00 0.00 C ATOM 463 C LEU A 808 -11.471 5.989 1.025 1.00 0.00 C ATOM 464 O LEU A 808 -12.323 5.873 1.906 1.00 0.00 O ATOM 465 CB LEU A 808 -9.775 4.174 0.728 1.00 0.00 C ATOM 466 CG LEU A 808 -8.355 3.630 0.889 1.00 0.00 C ATOM 467 CD1 LEU A 808 -8.268 2.203 0.371 1.00 0.00 C ATOM 468 CD2 LEU A 808 -7.357 4.524 0.168 1.00 0.00 C ATOM 0 H LEU A 808 -9.277 4.776 3.068 1.00 0.00 H new ATOM 0 HA LEU A 808 -9.371 6.285 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -10.464 3.486 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -10.025 4.172 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.106 3.624 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.250 1.833 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -8.955 1.570 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.537 2.182 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -6.352 4.122 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -7.603 4.562 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -7.400 5.529 0.587 1.00 0.00 H new ATOM 480 N ASP A 809 -11.741 6.467 -0.185 1.00 0.00 N ATOM 481 CA ASP A 809 -13.085 6.891 -0.557 1.00 0.00 C ATOM 482 C ASP A 809 -13.229 6.973 -2.073 1.00 0.00 C ATOM 483 O ASP A 809 -12.268 6.756 -2.811 1.00 0.00 O ATOM 484 CB ASP A 809 -13.408 8.247 0.073 1.00 0.00 C ATOM 485 CG ASP A 809 -14.892 8.555 0.056 1.00 0.00 C ATOM 486 OD1 ASP A 809 -15.696 7.600 0.085 1.00 0.00 O ATOM 487 OD2 ASP A 809 -15.250 9.751 0.013 1.00 0.00 O ATOM 0 H ASP A 809 -11.046 6.570 -0.925 1.00 0.00 H new ATOM 0 HA ASP A 809 -13.790 6.149 -0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 809 -13.049 8.261 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 809 -12.871 9.030 -0.463 1.00 0.00 H new ATOM 492 N SER A 810 -14.437 7.287 -2.532 1.00 0.00 N ATOM 493 CA SER A 810 -14.708 7.393 -3.960 1.00 0.00 C ATOM 494 C SER A 810 -13.816 8.449 -4.606 1.00 0.00 C ATOM 495 O SER A 810 -13.329 8.267 -5.721 1.00 0.00 O ATOM 496 CB SER A 810 -16.180 7.739 -4.197 1.00 0.00 C ATOM 497 OG SER A 810 -16.556 8.894 -3.468 1.00 0.00 O ATOM 0 H SER A 810 -15.243 7.472 -1.935 1.00 0.00 H new ATOM 0 HA SER A 810 -14.490 6.428 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 810 -16.351 7.905 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 810 -16.807 6.898 -3.901 1.00 0.00 H new ATOM 0 HG SER A 810 -17.500 9.095 -3.638 1.00 0.00 H new ATOM 503 N GLN A 811 -13.607 9.553 -3.896 1.00 0.00 N ATOM 504 CA GLN A 811 -12.774 10.639 -4.399 1.00 0.00 C ATOM 505 C GLN A 811 -11.301 10.377 -4.103 1.00 0.00 C ATOM 506 O GLN A 811 -10.519 11.311 -3.923 1.00 0.00 O ATOM 507 CB GLN A 811 -13.204 11.969 -3.778 1.00 0.00 C ATOM 508 CG GLN A 811 -13.109 11.991 -2.261 1.00 0.00 C ATOM 509 CD GLN A 811 -13.889 13.135 -1.644 1.00 0.00 C ATOM 510 OE1 GLN A 811 -15.118 13.166 -1.701 1.00 0.00 O ATOM 511 NE2 GLN A 811 -13.176 14.084 -1.048 1.00 0.00 N ATOM 0 H GLN A 811 -14.003 9.719 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 811 -12.904 10.693 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 811 -12.583 12.768 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 811 -14.231 12.183 -4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 811 -13.481 11.047 -1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 811 -12.062 12.070 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 811 -12.158 14.018 -1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 811 -13.646 14.878 -0.614 1.00 0.00 H new ATOM 520 N SER A 812 -10.930 9.102 -4.053 1.00 0.00 N ATOM 521 CA SER A 812 -9.551 8.718 -3.774 1.00 0.00 C ATOM 522 C SER A 812 -8.671 8.924 -5.003 1.00 0.00 C ATOM 523 O SER A 812 -8.912 8.339 -6.059 1.00 0.00 O ATOM 524 CB SER A 812 -9.487 7.256 -3.327 1.00 0.00 C ATOM 525 OG SER A 812 -10.045 6.398 -4.307 1.00 0.00 O ATOM 0 H SER A 812 -11.565 8.317 -4.202 1.00 0.00 H new ATOM 0 HA SER A 812 -9.178 9.353 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 812 -8.451 6.975 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 812 -10.024 7.136 -2.386 1.00 0.00 H new ATOM 0 HG SER A 812 -10.988 6.231 -4.097 1.00 0.00 H new ATOM 531 N ARG A 813 -7.649 9.761 -4.857 1.00 0.00 N ATOM 532 CA ARG A 813 -6.732 10.047 -5.954 1.00 0.00 C ATOM 533 C ARG A 813 -5.383 9.371 -5.726 1.00 0.00 C ATOM 534 O ARG A 813 -4.849 9.389 -4.617 1.00 0.00 O ATOM 535 CB ARG A 813 -6.538 11.557 -6.104 1.00 0.00 C ATOM 536 CG ARG A 813 -7.657 12.241 -6.874 1.00 0.00 C ATOM 537 CD ARG A 813 -8.914 12.373 -6.029 1.00 0.00 C ATOM 538 NE ARG A 813 -9.961 13.120 -6.720 1.00 0.00 N ATOM 539 CZ ARG A 813 -10.006 14.447 -6.772 1.00 0.00 C ATOM 540 NH1 ARG A 813 -9.066 15.169 -6.177 1.00 0.00 N ATOM 541 NH2 ARG A 813 -10.992 15.054 -7.421 1.00 0.00 N ATOM 0 H ARG A 813 -7.435 10.253 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 813 -7.168 9.650 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 813 -6.463 12.005 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 813 -5.592 11.745 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 813 -7.328 13.229 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 813 -7.881 11.671 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 813 -9.285 11.380 -5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 813 -8.670 12.873 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 813 -10.699 12.594 -7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 813 -8.306 14.706 -5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 813 -9.103 16.188 -6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 813 -11.716 14.502 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 813 -11.026 16.073 -7.460 1.00 0.00 H new ATOM 555 N TRP A 814 -4.841 8.775 -6.781 1.00 0.00 N ATOM 556 CA TRP A 814 -3.555 8.092 -6.696 1.00 0.00 C ATOM 557 C TRP A 814 -2.435 9.077 -6.377 1.00 0.00 C ATOM 558 O TRP A 814 -1.728 8.926 -5.381 1.00 0.00 O ATOM 559 CB TRP A 814 -3.252 7.364 -8.007 1.00 0.00 C ATOM 560 CG TRP A 814 -1.905 6.708 -8.025 1.00 0.00 C ATOM 561 CD1 TRP A 814 -0.950 6.825 -8.994 1.00 0.00 C ATOM 562 CD2 TRP A 814 -1.364 5.833 -7.029 1.00 0.00 C ATOM 563 NE1 TRP A 814 0.152 6.075 -8.661 1.00 0.00 N ATOM 564 CE2 TRP A 814 -0.077 5.457 -7.460 1.00 0.00 C ATOM 565 CE3 TRP A 814 -1.842 5.331 -5.816 1.00 0.00 C ATOM 566 CZ2 TRP A 814 0.736 4.603 -6.719 1.00 0.00 C ATOM 567 CZ3 TRP A 814 -1.034 4.483 -5.082 1.00 0.00 C ATOM 568 CH2 TRP A 814 0.243 4.127 -5.534 1.00 0.00 C ATOM 0 H TRP A 814 -5.271 8.751 -7.705 1.00 0.00 H new ATOM 0 HA TRP A 814 -3.613 7.362 -5.889 1.00 0.00 H new ATOM 0 HB2 TRP A 814 -4.018 6.608 -8.180 1.00 0.00 H new ATOM 0 HB3 TRP A 814 -3.313 8.075 -8.831 1.00 0.00 H new ATOM 0 HD1 TRP A 814 -1.047 7.420 -9.890 1.00 0.00 H new ATOM 0 HE1 TRP A 814 1.003 5.992 -9.218 1.00 0.00 H new ATOM 0 HE3 TRP A 814 -2.825 5.601 -5.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 814 1.720 4.326 -7.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 814 -1.394 4.088 -4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 814 0.851 3.464 -4.936 1.00 0.00 H new ATOM 579 N SER A 815 -2.279 10.085 -7.229 1.00 0.00 N ATOM 580 CA SER A 815 -1.243 11.093 -7.040 1.00 0.00 C ATOM 581 C SER A 815 -1.150 11.508 -5.575 1.00 0.00 C ATOM 582 O SER A 815 -0.058 11.634 -5.020 1.00 0.00 O ATOM 583 CB SER A 815 -1.527 12.318 -7.912 1.00 0.00 C ATOM 584 OG SER A 815 -1.701 11.948 -9.269 1.00 0.00 O ATOM 0 H SER A 815 -2.857 10.225 -8.057 1.00 0.00 H new ATOM 0 HA SER A 815 -0.289 10.658 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 815 -2.422 12.825 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 815 -0.704 13.027 -7.828 1.00 0.00 H new ATOM 0 HG SER A 815 -1.883 12.748 -9.805 1.00 0.00 H new ATOM 590 N LYS A 816 -2.305 11.720 -4.952 1.00 0.00 N ATOM 591 CA LYS A 816 -2.358 12.119 -3.551 1.00 0.00 C ATOM 592 C LYS A 816 -1.972 10.959 -2.639 1.00 0.00 C ATOM 593 O LYS A 816 -0.967 11.019 -1.932 1.00 0.00 O ATOM 594 CB LYS A 816 -3.759 12.619 -3.194 1.00 0.00 C ATOM 595 CG LYS A 816 -4.144 13.908 -3.899 1.00 0.00 C ATOM 596 CD LYS A 816 -3.587 15.125 -3.180 1.00 0.00 C ATOM 597 CE LYS A 816 -3.929 16.412 -3.915 1.00 0.00 C ATOM 598 NZ LYS A 816 -3.963 17.583 -2.996 1.00 0.00 N ATOM 0 H LYS A 816 -3.218 11.622 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 816 -1.642 12.927 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -4.486 11.847 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -3.817 12.773 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -3.773 13.888 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.230 13.983 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.988 15.166 -2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -2.505 15.032 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -3.194 16.588 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -4.898 16.305 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -4.199 18.440 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -4.682 17.427 -2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -3.031 17.701 -2.549 1.00 0.00 H new ATOM 612 N VAL A 817 -2.778 9.902 -2.662 1.00 0.00 N ATOM 613 CA VAL A 817 -2.520 8.726 -1.839 1.00 0.00 C ATOM 614 C VAL A 817 -1.065 8.284 -1.953 1.00 0.00 C ATOM 615 O VAL A 817 -0.517 7.671 -1.037 1.00 0.00 O ATOM 616 CB VAL A 817 -3.435 7.552 -2.236 1.00 0.00 C ATOM 617 CG1 VAL A 817 -2.770 6.693 -3.302 1.00 0.00 C ATOM 618 CG2 VAL A 817 -3.791 6.718 -1.014 1.00 0.00 C ATOM 0 H VAL A 817 -3.615 9.836 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 817 -2.731 9.008 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 817 -4.357 7.957 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 817 -3.431 5.869 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 817 -2.570 7.299 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 817 -1.832 6.295 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 817 -4.438 5.893 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 817 -2.880 6.321 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 817 -4.311 7.342 -0.287 1.00 0.00 H new ATOM 628 N LYS A 818 -0.444 8.600 -3.084 1.00 0.00 N ATOM 629 CA LYS A 818 0.949 8.237 -3.320 1.00 0.00 C ATOM 630 C LYS A 818 1.890 9.227 -2.641 1.00 0.00 C ATOM 631 O LYS A 818 2.912 8.837 -2.074 1.00 0.00 O ATOM 632 CB LYS A 818 1.238 8.190 -4.822 1.00 0.00 C ATOM 633 CG LYS A 818 2.719 8.220 -5.157 1.00 0.00 C ATOM 634 CD LYS A 818 3.001 7.560 -6.496 1.00 0.00 C ATOM 635 CE LYS A 818 4.313 8.048 -7.093 1.00 0.00 C ATOM 636 NZ LYS A 818 5.479 7.689 -6.238 1.00 0.00 N ATOM 0 H LYS A 818 -0.883 9.107 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 818 1.119 7.249 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 818 0.798 7.285 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 818 0.748 9.035 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 818 3.067 9.253 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 818 3.281 7.711 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 818 3.038 6.478 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 818 2.185 7.772 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 818 4.443 7.616 -8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 818 4.274 9.130 -7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 6.237 7.297 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 5.826 8.539 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 5.189 6.980 -5.535 1.00 0.00 H new ATOM 650 N ASP A 819 1.540 10.507 -2.700 1.00 0.00 N ATOM 651 CA ASP A 819 2.352 11.552 -2.089 1.00 0.00 C ATOM 652 C ASP A 819 2.229 11.516 -0.569 1.00 0.00 C ATOM 653 O ASP A 819 3.067 12.066 0.146 1.00 0.00 O ATOM 654 CB ASP A 819 1.935 12.926 -2.615 1.00 0.00 C ATOM 655 CG ASP A 819 2.856 14.032 -2.139 1.00 0.00 C ATOM 656 OD1 ASP A 819 2.615 14.573 -1.040 1.00 0.00 O ATOM 657 OD2 ASP A 819 3.817 14.358 -2.867 1.00 0.00 O ATOM 0 H ASP A 819 0.698 10.846 -3.166 1.00 0.00 H new ATOM 0 HA ASP A 819 3.393 11.371 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 819 1.927 12.908 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 819 0.916 13.141 -2.293 1.00 0.00 H new ATOM 662 N LYS A 820 1.179 10.865 -0.080 1.00 0.00 N ATOM 663 CA LYS A 820 0.944 10.757 1.355 1.00 0.00 C ATOM 664 C LYS A 820 1.506 9.448 1.900 1.00 0.00 C ATOM 665 O LYS A 820 1.995 9.393 3.029 1.00 0.00 O ATOM 666 CB LYS A 820 -0.553 10.846 1.656 1.00 0.00 C ATOM 667 CG LYS A 820 -0.883 10.750 3.136 1.00 0.00 C ATOM 668 CD LYS A 820 -0.881 12.117 3.798 1.00 0.00 C ATOM 669 CE LYS A 820 -1.832 12.164 4.984 1.00 0.00 C ATOM 670 NZ LYS A 820 -1.212 11.597 6.214 1.00 0.00 N ATOM 0 H LYS A 820 0.476 10.404 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 820 1.456 11.585 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 820 -0.938 11.789 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 820 -1.070 10.047 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 820 -1.861 10.285 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 820 -0.157 10.104 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 820 0.128 12.360 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 820 -1.168 12.875 3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 820 -2.130 13.196 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 820 -2.739 11.608 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 -1.891 11.647 7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 -0.950 10.605 6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 -0.361 12.143 6.457 1.00 0.00 H new ATOM 684 N VAL A 821 1.435 8.396 1.091 1.00 0.00 N ATOM 685 CA VAL A 821 1.939 7.088 1.492 1.00 0.00 C ATOM 686 C VAL A 821 3.455 7.014 1.343 1.00 0.00 C ATOM 687 O VAL A 821 4.128 6.309 2.095 1.00 0.00 O ATOM 688 CB VAL A 821 1.297 5.960 0.662 1.00 0.00 C ATOM 689 CG1 VAL A 821 -0.200 5.895 0.918 1.00 0.00 C ATOM 690 CG2 VAL A 821 1.585 6.160 -0.819 1.00 0.00 C ATOM 0 H VAL A 821 1.033 8.424 0.154 1.00 0.00 H new ATOM 0 HA VAL A 821 1.673 6.954 2.540 1.00 0.00 H new ATOM 0 HB VAL A 821 1.735 5.011 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 821 -0.636 5.093 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 821 -0.380 5.702 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 821 -0.658 6.844 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 821 1.124 5.355 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 821 1.175 7.116 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 821 2.662 6.152 -0.984 1.00 0.00 H new ATOM 700 N GLU A 822 3.985 7.747 0.369 1.00 0.00 N ATOM 701 CA GLU A 822 5.422 7.763 0.122 1.00 0.00 C ATOM 702 C GLU A 822 6.197 7.892 1.431 1.00 0.00 C ATOM 703 O GLU A 822 7.370 7.526 1.508 1.00 0.00 O ATOM 704 CB GLU A 822 5.788 8.915 -0.815 1.00 0.00 C ATOM 705 CG GLU A 822 5.763 10.278 -0.144 1.00 0.00 C ATOM 706 CD GLU A 822 6.536 11.326 -0.921 1.00 0.00 C ATOM 707 OE1 GLU A 822 7.778 11.365 -0.791 1.00 0.00 O ATOM 708 OE2 GLU A 822 5.900 12.107 -1.659 1.00 0.00 O ATOM 0 H GLU A 822 3.442 8.337 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 822 5.694 6.819 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 822 6.783 8.738 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 822 5.096 8.921 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 822 4.729 10.604 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 822 6.182 10.193 0.859 1.00 0.00 H new ATOM 715 N SER A 823 5.533 8.415 2.456 1.00 0.00 N ATOM 716 CA SER A 823 6.160 8.597 3.760 1.00 0.00 C ATOM 717 C SER A 823 6.049 7.327 4.598 1.00 0.00 C ATOM 718 O SER A 823 6.068 7.378 5.828 1.00 0.00 O ATOM 719 CB SER A 823 5.514 9.769 4.501 1.00 0.00 C ATOM 720 OG SER A 823 6.310 10.179 5.600 1.00 0.00 O ATOM 0 H SER A 823 4.561 8.720 2.409 1.00 0.00 H new ATOM 0 HA SER A 823 7.216 8.815 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 823 5.377 10.605 3.816 1.00 0.00 H new ATOM 0 HB3 SER A 823 4.524 9.479 4.853 1.00 0.00 H new ATOM 0 HG SER A 823 6.544 9.398 6.144 1.00 0.00 H new ATOM 726 N ASP A 824 5.932 6.189 3.923 1.00 0.00 N ATOM 727 CA ASP A 824 5.818 4.905 4.604 1.00 0.00 C ATOM 728 C ASP A 824 6.723 3.862 3.954 1.00 0.00 C ATOM 729 O ASP A 824 6.851 3.793 2.731 1.00 0.00 O ATOM 730 CB ASP A 824 4.367 4.421 4.587 1.00 0.00 C ATOM 731 CG ASP A 824 4.091 3.379 5.654 1.00 0.00 C ATOM 732 OD1 ASP A 824 4.476 2.208 5.454 1.00 0.00 O ATOM 733 OD2 ASP A 824 3.491 3.736 6.689 1.00 0.00 O ATOM 0 H ASP A 824 5.914 6.130 2.905 1.00 0.00 H new ATOM 0 HA ASP A 824 6.135 5.041 5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 824 3.702 5.272 4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 824 4.138 4.003 3.607 1.00 0.00 H new ATOM 738 N PRO A 825 7.366 3.033 4.789 1.00 0.00 N ATOM 739 CA PRO A 825 8.271 1.980 4.317 1.00 0.00 C ATOM 740 C PRO A 825 7.528 0.851 3.612 1.00 0.00 C ATOM 741 O PRO A 825 8.056 0.228 2.691 1.00 0.00 O ATOM 742 CB PRO A 825 8.922 1.469 5.605 1.00 0.00 C ATOM 743 CG PRO A 825 7.938 1.785 6.678 1.00 0.00 C ATOM 744 CD PRO A 825 7.260 3.059 6.257 1.00 0.00 C ATOM 0 HA PRO A 825 8.984 2.354 3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 825 9.119 0.398 5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 825 9.878 1.960 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 825 7.215 0.978 6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 825 8.436 1.907 7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 825 6.221 3.088 6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 825 7.752 3.935 6.680 1.00 0.00 H new ATOM 752 N ARG A 826 6.299 0.593 4.049 1.00 0.00 N ATOM 753 CA ARG A 826 5.484 -0.462 3.459 1.00 0.00 C ATOM 754 C ARG A 826 5.177 -0.158 1.996 1.00 0.00 C ATOM 755 O ARG A 826 5.019 -1.068 1.182 1.00 0.00 O ATOM 756 CB ARG A 826 4.180 -0.626 4.242 1.00 0.00 C ATOM 757 CG ARG A 826 4.339 -1.413 5.533 1.00 0.00 C ATOM 758 CD ARG A 826 3.118 -1.270 6.427 1.00 0.00 C ATOM 759 NE ARG A 826 2.878 0.119 6.808 1.00 0.00 N ATOM 760 CZ ARG A 826 2.044 0.483 7.776 1.00 0.00 C ATOM 761 NH1 ARG A 826 1.372 -0.436 8.456 1.00 0.00 N ATOM 762 NH2 ARG A 826 1.879 1.767 8.064 1.00 0.00 N ATOM 0 H ARG A 826 5.846 1.100 4.809 1.00 0.00 H new ATOM 0 HA ARG A 826 6.049 -1.393 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 826 3.780 0.361 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 826 3.447 -1.126 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 826 4.500 -2.466 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 826 5.224 -1.065 6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 826 2.242 -1.660 5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 826 3.253 -1.874 7.324 1.00 0.00 H new ATOM 0 HE ARG A 826 3.378 0.850 6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 826 1.495 -1.424 8.236 1.00 0.00 H new ATOM 0 HH12 ARG A 826 0.732 -0.154 9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 826 2.393 2.477 7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 826 1.238 2.045 8.807 1.00 0.00 H new ATOM 776 N TYR A 827 5.092 1.127 1.670 1.00 0.00 N ATOM 777 CA TYR A 827 4.801 1.551 0.306 1.00 0.00 C ATOM 778 C TYR A 827 5.948 1.193 -0.634 1.00 0.00 C ATOM 779 O TYR A 827 5.754 1.036 -1.839 1.00 0.00 O ATOM 780 CB TYR A 827 4.543 3.058 0.262 1.00 0.00 C ATOM 781 CG TYR A 827 4.708 3.661 -1.115 1.00 0.00 C ATOM 782 CD1 TYR A 827 5.941 4.135 -1.544 1.00 0.00 C ATOM 783 CD2 TYR A 827 3.630 3.757 -1.986 1.00 0.00 C ATOM 784 CE1 TYR A 827 6.096 4.687 -2.801 1.00 0.00 C ATOM 785 CE2 TYR A 827 3.776 4.306 -3.245 1.00 0.00 C ATOM 786 CZ TYR A 827 5.010 4.770 -3.648 1.00 0.00 C ATOM 787 OH TYR A 827 5.161 5.318 -4.901 1.00 0.00 O ATOM 0 H TYR A 827 5.220 1.893 2.332 1.00 0.00 H new ATOM 0 HA TYR A 827 3.906 1.025 -0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 827 3.532 3.255 0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 827 5.225 3.555 0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 827 6.793 4.071 -0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 827 2.661 3.396 -1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 827 7.062 5.051 -3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 827 2.928 4.371 -3.910 1.00 0.00 H new ATOM 0 HH TYR A 827 4.523 4.903 -5.518 1.00 0.00 H new ATOM 797 N LYS A 828 7.145 1.063 -0.072 1.00 0.00 N ATOM 798 CA LYS A 828 8.326 0.721 -0.856 1.00 0.00 C ATOM 799 C LYS A 828 8.372 -0.775 -1.145 1.00 0.00 C ATOM 800 O LYS A 828 9.102 -1.224 -2.029 1.00 0.00 O ATOM 801 CB LYS A 828 9.596 1.148 -0.116 1.00 0.00 C ATOM 802 CG LYS A 828 9.758 2.654 -0.004 1.00 0.00 C ATOM 803 CD LYS A 828 10.593 3.037 1.207 1.00 0.00 C ATOM 804 CE LYS A 828 11.343 4.340 0.977 1.00 0.00 C ATOM 805 NZ LYS A 828 10.451 5.525 1.110 1.00 0.00 N ATOM 0 H LYS A 828 7.323 1.189 0.924 1.00 0.00 H new ATOM 0 HA LYS A 828 8.269 1.255 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 828 9.585 0.717 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 828 10.463 0.735 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 828 10.230 3.038 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 828 8.776 3.122 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 828 9.947 3.137 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 828 11.304 2.241 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 828 12.161 4.419 1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 828 11.789 4.331 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 11.000 6.393 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 9.684 5.463 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 10.045 5.548 2.067 1.00 0.00 H new ATOM 819 N ALA A 829 7.588 -1.543 -0.395 1.00 0.00 N ATOM 820 CA ALA A 829 7.537 -2.989 -0.574 1.00 0.00 C ATOM 821 C ALA A 829 7.196 -3.352 -2.015 1.00 0.00 C ATOM 822 O ALA A 829 7.681 -4.351 -2.546 1.00 0.00 O ATOM 823 CB ALA A 829 6.525 -3.603 0.381 1.00 0.00 C ATOM 0 H ALA A 829 6.979 -1.188 0.342 1.00 0.00 H new ATOM 0 HA ALA A 829 8.524 -3.393 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 829 6.497 -4.683 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 829 6.814 -3.382 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 829 5.538 -3.185 0.183 1.00 0.00 H new ATOM 829 N VAL A 830 6.357 -2.535 -2.644 1.00 0.00 N ATOM 830 CA VAL A 830 5.951 -2.770 -4.025 1.00 0.00 C ATOM 831 C VAL A 830 6.954 -2.169 -5.003 1.00 0.00 C ATOM 832 O VAL A 830 7.152 -0.955 -5.037 1.00 0.00 O ATOM 833 CB VAL A 830 4.557 -2.178 -4.308 1.00 0.00 C ATOM 834 CG1 VAL A 830 4.018 -2.694 -5.634 1.00 0.00 C ATOM 835 CG2 VAL A 830 3.600 -2.503 -3.171 1.00 0.00 C ATOM 0 H VAL A 830 5.945 -1.704 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 830 5.915 -3.850 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 830 4.648 -1.094 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 830 3.033 -2.266 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 830 4.695 -2.406 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 830 3.940 -3.781 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 830 2.620 -2.077 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 830 3.511 -3.584 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 830 3.982 -2.080 -2.242 1.00 0.00 H new ATOM 845 N ASP A 831 7.584 -3.028 -5.796 1.00 0.00 N ATOM 846 CA ASP A 831 8.567 -2.582 -6.777 1.00 0.00 C ATOM 847 C ASP A 831 7.889 -2.193 -8.088 1.00 0.00 C ATOM 848 O ASP A 831 8.115 -1.105 -8.615 1.00 0.00 O ATOM 849 CB ASP A 831 9.601 -3.681 -7.030 1.00 0.00 C ATOM 850 CG ASP A 831 10.701 -3.234 -7.973 1.00 0.00 C ATOM 851 OD1 ASP A 831 10.529 -3.387 -9.200 1.00 0.00 O ATOM 852 OD2 ASP A 831 11.734 -2.732 -7.483 1.00 0.00 O ATOM 0 H ASP A 831 7.432 -4.036 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 831 9.072 -1.704 -6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 831 10.042 -3.987 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 831 9.102 -4.556 -7.447 1.00 0.00 H new ATOM 857 N SER A 832 7.059 -3.091 -8.608 1.00 0.00 N ATOM 858 CA SER A 832 6.352 -2.844 -9.859 1.00 0.00 C ATOM 859 C SER A 832 5.265 -1.791 -9.670 1.00 0.00 C ATOM 860 O SER A 832 4.297 -2.006 -8.940 1.00 0.00 O ATOM 861 CB SER A 832 5.735 -4.142 -10.385 1.00 0.00 C ATOM 862 OG SER A 832 5.042 -3.920 -11.601 1.00 0.00 O ATOM 0 H SER A 832 6.860 -3.996 -8.182 1.00 0.00 H new ATOM 0 HA SER A 832 7.072 -2.471 -10.587 1.00 0.00 H new ATOM 0 HB2 SER A 832 6.518 -4.884 -10.539 1.00 0.00 H new ATOM 0 HB3 SER A 832 5.050 -4.550 -9.642 1.00 0.00 H new ATOM 0 HG SER A 832 4.658 -4.764 -11.918 1.00 0.00 H new ATOM 868 N SER A 833 5.432 -0.651 -10.333 1.00 0.00 N ATOM 869 CA SER A 833 4.468 0.439 -10.236 1.00 0.00 C ATOM 870 C SER A 833 3.072 -0.034 -10.632 1.00 0.00 C ATOM 871 O SER A 833 2.072 0.409 -10.069 1.00 0.00 O ATOM 872 CB SER A 833 4.895 1.607 -11.126 1.00 0.00 C ATOM 873 OG SER A 833 3.930 2.644 -11.106 1.00 0.00 O ATOM 0 H SER A 833 6.226 -0.458 -10.943 1.00 0.00 H new ATOM 0 HA SER A 833 4.439 0.774 -9.199 1.00 0.00 H new ATOM 0 HB2 SER A 833 5.856 1.994 -10.787 1.00 0.00 H new ATOM 0 HB3 SER A 833 5.035 1.257 -12.149 1.00 0.00 H new ATOM 0 HG SER A 833 4.228 3.379 -11.682 1.00 0.00 H new ATOM 879 N SER A 834 3.015 -0.936 -11.607 1.00 0.00 N ATOM 880 CA SER A 834 1.743 -1.467 -12.083 1.00 0.00 C ATOM 881 C SER A 834 0.929 -2.044 -10.929 1.00 0.00 C ATOM 882 O SER A 834 -0.299 -1.959 -10.917 1.00 0.00 O ATOM 883 CB SER A 834 1.980 -2.543 -13.144 1.00 0.00 C ATOM 884 OG SER A 834 2.670 -2.013 -14.262 1.00 0.00 O ATOM 0 H SER A 834 3.834 -1.314 -12.082 1.00 0.00 H new ATOM 0 HA SER A 834 1.179 -0.647 -12.528 1.00 0.00 H new ATOM 0 HB2 SER A 834 2.555 -3.363 -12.713 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.025 -2.958 -13.465 1.00 0.00 H new ATOM 0 HG SER A 834 2.811 -2.721 -14.925 1.00 0.00 H new ATOM 890 N MET A 835 1.623 -2.633 -9.960 1.00 0.00 N ATOM 891 CA MET A 835 0.966 -3.224 -8.800 1.00 0.00 C ATOM 892 C MET A 835 0.305 -2.149 -7.943 1.00 0.00 C ATOM 893 O MET A 835 -0.844 -2.295 -7.526 1.00 0.00 O ATOM 894 CB MET A 835 1.975 -4.012 -7.962 1.00 0.00 C ATOM 895 CG MET A 835 2.655 -5.136 -8.727 1.00 0.00 C ATOM 896 SD MET A 835 1.559 -6.537 -9.021 1.00 0.00 S ATOM 897 CE MET A 835 1.558 -7.311 -7.406 1.00 0.00 C ATOM 0 H MET A 835 2.640 -2.714 -9.955 1.00 0.00 H new ATOM 0 HA MET A 835 0.193 -3.904 -9.159 1.00 0.00 H new ATOM 0 HB2 MET A 835 2.736 -3.328 -7.586 1.00 0.00 H new ATOM 0 HB3 MET A 835 1.466 -4.431 -7.094 1.00 0.00 H new ATOM 0 HG2 MET A 835 3.015 -4.754 -9.682 1.00 0.00 H new ATOM 0 HG3 MET A 835 3.528 -5.474 -8.169 1.00 0.00 H new ATOM 0 HE1 MET A 835 1.625 -8.393 -7.521 1.00 0.00 H new ATOM 0 HE2 MET A 835 2.412 -6.953 -6.831 1.00 0.00 H new ATOM 0 HE3 MET A 835 0.636 -7.058 -6.882 1.00 0.00 H new ATOM 907 N ARG A 836 1.038 -1.071 -7.684 1.00 0.00 N ATOM 908 CA ARG A 836 0.522 0.027 -6.876 1.00 0.00 C ATOM 909 C ARG A 836 -0.786 0.560 -7.453 1.00 0.00 C ATOM 910 O ARG A 836 -1.782 0.690 -6.742 1.00 0.00 O ATOM 911 CB ARG A 836 1.552 1.155 -6.793 1.00 0.00 C ATOM 912 CG ARG A 836 2.664 0.892 -5.790 1.00 0.00 C ATOM 913 CD ARG A 836 3.915 1.689 -6.123 1.00 0.00 C ATOM 914 NE ARG A 836 4.981 1.467 -5.150 1.00 0.00 N ATOM 915 CZ ARG A 836 6.247 1.814 -5.355 1.00 0.00 C ATOM 916 NH1 ARG A 836 6.602 2.397 -6.491 1.00 0.00 N ATOM 917 NH2 ARG A 836 7.160 1.578 -4.422 1.00 0.00 N ATOM 0 H ARG A 836 1.991 -0.935 -8.022 1.00 0.00 H new ATOM 0 HA ARG A 836 0.328 -0.354 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 836 1.992 1.307 -7.779 1.00 0.00 H new ATOM 0 HB3 ARG A 836 1.043 2.081 -6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 836 2.321 1.153 -4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 836 2.901 -0.172 -5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 836 4.268 1.412 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 836 3.670 2.751 -6.156 1.00 0.00 H new ATOM 0 HE ARG A 836 4.741 1.021 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 836 5.903 2.580 -7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 836 7.575 2.662 -6.646 1.00 0.00 H new ATOM 0 HH21 ARG A 836 6.890 1.130 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 836 8.132 1.845 -4.580 1.00 0.00 H new ATOM 931 N GLU A 837 -0.774 0.867 -8.747 1.00 0.00 N ATOM 932 CA GLU A 837 -1.959 1.387 -9.418 1.00 0.00 C ATOM 933 C GLU A 837 -3.072 0.343 -9.445 1.00 0.00 C ATOM 934 O GLU A 837 -4.222 0.637 -9.117 1.00 0.00 O ATOM 935 CB GLU A 837 -1.616 1.818 -10.846 1.00 0.00 C ATOM 936 CG GLU A 837 -1.175 3.268 -10.954 1.00 0.00 C ATOM 937 CD GLU A 837 -0.441 3.560 -12.249 1.00 0.00 C ATOM 938 OE1 GLU A 837 -1.086 3.526 -13.317 1.00 0.00 O ATOM 939 OE2 GLU A 837 0.779 3.822 -12.192 1.00 0.00 O ATOM 0 H GLU A 837 0.042 0.765 -9.350 1.00 0.00 H new ATOM 0 HA GLU A 837 -2.310 2.254 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 837 -0.823 1.176 -11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 837 -2.487 1.663 -11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 837 -2.049 3.916 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 837 -0.528 3.511 -10.111 1.00 0.00 H new ATOM 946 N ASP A 838 -2.721 -0.877 -9.838 1.00 0.00 N ATOM 947 CA ASP A 838 -3.689 -1.966 -9.907 1.00 0.00 C ATOM 948 C ASP A 838 -4.316 -2.223 -8.541 1.00 0.00 C ATOM 949 O ASP A 838 -5.515 -2.016 -8.347 1.00 0.00 O ATOM 950 CB ASP A 838 -3.019 -3.240 -10.423 1.00 0.00 C ATOM 951 CG ASP A 838 -4.008 -4.199 -11.056 1.00 0.00 C ATOM 952 OD1 ASP A 838 -4.841 -3.742 -11.866 1.00 0.00 O ATOM 953 OD2 ASP A 838 -3.949 -5.406 -10.741 1.00 0.00 O ATOM 0 H ASP A 838 -1.774 -1.137 -10.113 1.00 0.00 H new ATOM 0 HA ASP A 838 -4.479 -1.674 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -2.256 -2.975 -11.154 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -2.510 -3.739 -9.598 1.00 0.00 H new ATOM 958 N LEU A 839 -3.499 -2.677 -7.597 1.00 0.00 N ATOM 959 CA LEU A 839 -3.973 -2.964 -6.247 1.00 0.00 C ATOM 960 C LEU A 839 -4.838 -1.824 -5.720 1.00 0.00 C ATOM 961 O LEU A 839 -5.962 -2.042 -5.267 1.00 0.00 O ATOM 962 CB LEU A 839 -2.789 -3.198 -5.308 1.00 0.00 C ATOM 963 CG LEU A 839 -2.013 -4.499 -5.517 1.00 0.00 C ATOM 964 CD1 LEU A 839 -0.793 -4.544 -4.610 1.00 0.00 C ATOM 965 CD2 LEU A 839 -2.910 -5.702 -5.268 1.00 0.00 C ATOM 0 H LEU A 839 -2.505 -2.854 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 839 -4.581 -3.868 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -2.096 -2.364 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -3.156 -3.178 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 839 -1.673 -4.534 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 839 -0.253 -5.477 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 839 -0.139 -3.702 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -1.111 -4.485 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -2.340 -6.619 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -3.282 -5.673 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -3.752 -5.678 -5.960 1.00 0.00 H new ATOM 977 N PHE A 840 -4.308 -0.608 -5.784 1.00 0.00 N ATOM 978 CA PHE A 840 -5.031 0.568 -5.314 1.00 0.00 C ATOM 979 C PHE A 840 -6.421 0.637 -5.941 1.00 0.00 C ATOM 980 O PHE A 840 -7.433 0.582 -5.242 1.00 0.00 O ATOM 981 CB PHE A 840 -4.248 1.841 -5.642 1.00 0.00 C ATOM 982 CG PHE A 840 -4.925 3.098 -5.178 1.00 0.00 C ATOM 983 CD1 PHE A 840 -5.071 3.364 -3.826 1.00 0.00 C ATOM 984 CD2 PHE A 840 -5.417 4.014 -6.094 1.00 0.00 C ATOM 985 CE1 PHE A 840 -5.693 4.521 -3.396 1.00 0.00 C ATOM 986 CE2 PHE A 840 -6.040 5.173 -5.669 1.00 0.00 C ATOM 987 CZ PHE A 840 -6.180 5.425 -4.319 1.00 0.00 C ATOM 0 H PHE A 840 -3.379 -0.410 -6.157 1.00 0.00 H new ATOM 0 HA PHE A 840 -5.142 0.487 -4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 840 -3.261 1.779 -5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 840 -4.096 1.897 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 840 -4.694 2.659 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 840 -5.313 3.821 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 840 -5.798 4.718 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 840 -6.417 5.881 -6.393 1.00 0.00 H new ATOM 0 HZ PHE A 840 -6.670 6.328 -3.985 1.00 0.00 H new ATOM 997 N LYS A 841 -6.462 0.760 -7.263 1.00 0.00 N ATOM 998 CA LYS A 841 -7.725 0.837 -7.986 1.00 0.00 C ATOM 999 C LYS A 841 -8.657 -0.299 -7.575 1.00 0.00 C ATOM 1000 O LYS A 841 -9.846 -0.083 -7.339 1.00 0.00 O ATOM 1001 CB LYS A 841 -7.477 0.786 -9.496 1.00 0.00 C ATOM 1002 CG LYS A 841 -7.009 2.107 -10.080 1.00 0.00 C ATOM 1003 CD LYS A 841 -6.725 1.989 -11.568 1.00 0.00 C ATOM 1004 CE LYS A 841 -5.642 2.963 -12.008 1.00 0.00 C ATOM 1005 NZ LYS A 841 -6.054 4.380 -11.804 1.00 0.00 N ATOM 0 H LYS A 841 -5.634 0.809 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 841 -8.202 1.784 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 841 -6.731 0.020 -9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 841 -8.396 0.482 -9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 841 -7.770 2.870 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -6.108 2.436 -9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -6.416 0.970 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 841 -7.639 2.181 -12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 841 -4.728 2.766 -11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 841 -5.412 2.800 -13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -5.303 5.013 -12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 -6.931 4.566 -12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 -6.216 4.552 -10.791 1.00 0.00 H new ATOM 1019 N GLN A 842 -8.110 -1.507 -7.491 1.00 0.00 N ATOM 1020 CA GLN A 842 -8.893 -2.675 -7.107 1.00 0.00 C ATOM 1021 C GLN A 842 -9.679 -2.407 -5.828 1.00 0.00 C ATOM 1022 O GLN A 842 -10.909 -2.456 -5.822 1.00 0.00 O ATOM 1023 CB GLN A 842 -7.980 -3.887 -6.915 1.00 0.00 C ATOM 1024 CG GLN A 842 -7.467 -4.476 -8.219 1.00 0.00 C ATOM 1025 CD GLN A 842 -6.261 -5.372 -8.020 1.00 0.00 C ATOM 1026 OE1 GLN A 842 -5.129 -4.982 -8.308 1.00 0.00 O ATOM 1027 NE2 GLN A 842 -6.497 -6.582 -7.526 1.00 0.00 N ATOM 0 H GLN A 842 -7.128 -1.702 -7.684 1.00 0.00 H new ATOM 0 HA GLN A 842 -9.601 -2.886 -7.909 1.00 0.00 H new ATOM 0 HB2 GLN A 842 -7.130 -3.597 -6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 842 -8.523 -4.657 -6.367 1.00 0.00 H new ATOM 0 HG2 GLN A 842 -8.265 -5.047 -8.694 1.00 0.00 H new ATOM 0 HG3 GLN A 842 -7.205 -3.667 -8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 842 -7.451 -6.864 -7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 842 -5.724 -7.229 -7.371 1.00 0.00 H new ATOM 1036 N TYR A 843 -8.961 -2.125 -4.747 1.00 0.00 N ATOM 1037 CA TYR A 843 -9.592 -1.852 -3.461 1.00 0.00 C ATOM 1038 C TYR A 843 -10.707 -0.822 -3.608 1.00 0.00 C ATOM 1039 O TYR A 843 -11.870 -1.105 -3.320 1.00 0.00 O ATOM 1040 CB TYR A 843 -8.552 -1.354 -2.455 1.00 0.00 C ATOM 1041 CG TYR A 843 -8.990 -1.490 -1.014 1.00 0.00 C ATOM 1042 CD1 TYR A 843 -9.735 -0.492 -0.398 1.00 0.00 C ATOM 1043 CD2 TYR A 843 -8.658 -2.614 -0.269 1.00 0.00 C ATOM 1044 CE1 TYR A 843 -10.137 -0.611 0.919 1.00 0.00 C ATOM 1045 CE2 TYR A 843 -9.057 -2.742 1.047 1.00 0.00 C ATOM 1046 CZ TYR A 843 -9.796 -1.738 1.637 1.00 0.00 C ATOM 1047 OH TYR A 843 -10.194 -1.861 2.948 1.00 0.00 O ATOM 0 H TYR A 843 -7.942 -2.079 -4.735 1.00 0.00 H new ATOM 0 HA TYR A 843 -10.028 -2.782 -3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 843 -7.625 -1.909 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 843 -8.331 -0.307 -2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 843 -10.004 0.392 -0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 843 -8.078 -3.402 -0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 843 -10.715 0.174 1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 843 -8.792 -3.624 1.611 1.00 0.00 H new ATOM 0 HH TYR A 843 -9.873 -2.714 3.309 1.00 0.00 H new ATOM 1057 N ILE A 844 -10.344 0.373 -4.060 1.00 0.00 N ATOM 1058 CA ILE A 844 -11.314 1.445 -4.249 1.00 0.00 C ATOM 1059 C ILE A 844 -12.551 0.944 -4.985 1.00 0.00 C ATOM 1060 O ILE A 844 -13.679 1.170 -4.548 1.00 0.00 O ATOM 1061 CB ILE A 844 -10.705 2.623 -5.032 1.00 0.00 C ATOM 1062 CG1 ILE A 844 -9.586 3.279 -4.222 1.00 0.00 C ATOM 1063 CG2 ILE A 844 -11.782 3.641 -5.379 1.00 0.00 C ATOM 1064 CD1 ILE A 844 -9.912 3.431 -2.753 1.00 0.00 C ATOM 0 H ILE A 844 -9.385 0.624 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 844 -11.601 1.790 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 844 -10.280 2.242 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 844 -8.678 2.685 -4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 844 -9.373 4.262 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 844 -11.336 4.468 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 844 -12.548 3.166 -5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 844 -12.234 4.020 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 844 -9.074 3.903 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 844 -10.802 4.050 -2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 844 -10.096 2.449 -2.318 1.00 0.00 H new ATOM 1076 N GLU A 845 -12.331 0.261 -6.104 1.00 0.00 N ATOM 1077 CA GLU A 845 -13.430 -0.273 -6.901 1.00 0.00 C ATOM 1078 C GLU A 845 -14.405 -1.055 -6.027 1.00 0.00 C ATOM 1079 O GLU A 845 -15.616 -0.835 -6.076 1.00 0.00 O ATOM 1080 CB GLU A 845 -12.891 -1.173 -8.015 1.00 0.00 C ATOM 1081 CG GLU A 845 -13.972 -1.951 -8.745 1.00 0.00 C ATOM 1082 CD GLU A 845 -13.410 -3.070 -9.599 1.00 0.00 C ATOM 1083 OE1 GLU A 845 -13.138 -4.158 -9.049 1.00 0.00 O ATOM 1084 OE2 GLU A 845 -13.241 -2.858 -10.819 1.00 0.00 O ATOM 0 H GLU A 845 -11.403 0.064 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 845 -13.963 0.566 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 845 -12.347 -0.561 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 845 -12.175 -1.875 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 845 -14.668 -2.369 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 845 -14.542 -1.269 -9.376 1.00 0.00 H new ATOM 1091 N LYS A 846 -13.870 -1.971 -5.227 1.00 0.00 N ATOM 1092 CA LYS A 846 -14.691 -2.787 -4.340 1.00 0.00 C ATOM 1093 C LYS A 846 -15.551 -1.911 -3.435 1.00 0.00 C ATOM 1094 O LYS A 846 -16.726 -2.201 -3.209 1.00 0.00 O ATOM 1095 CB LYS A 846 -13.806 -3.702 -3.491 1.00 0.00 C ATOM 1096 CG LYS A 846 -14.577 -4.506 -2.458 1.00 0.00 C ATOM 1097 CD LYS A 846 -13.757 -5.674 -1.935 1.00 0.00 C ATOM 1098 CE LYS A 846 -14.519 -6.461 -0.879 1.00 0.00 C ATOM 1099 NZ LYS A 846 -14.409 -5.833 0.467 1.00 0.00 N ATOM 0 H LYS A 846 -12.870 -2.167 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 846 -15.350 -3.399 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 846 -13.271 -4.388 -4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 846 -13.055 -3.097 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 846 -14.860 -3.858 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 846 -15.501 -4.878 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 846 -13.493 -6.333 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 846 -12.823 -5.304 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 846 -15.569 -6.529 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 846 -14.134 -7.480 -0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 846 -14.941 -6.399 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 846 -13.409 -5.791 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 846 -14.800 -4.870 0.434 1.00 0.00 H new ATOM 1113 N ILE A 847 -14.959 -0.838 -2.922 1.00 0.00 N ATOM 1114 CA ILE A 847 -15.672 0.081 -2.044 1.00 0.00 C ATOM 1115 C ILE A 847 -16.849 0.728 -2.765 1.00 0.00 C ATOM 1116 O ILE A 847 -18.005 0.522 -2.397 1.00 0.00 O ATOM 1117 CB ILE A 847 -14.742 1.186 -1.510 1.00 0.00 C ATOM 1118 CG1 ILE A 847 -13.555 0.569 -0.767 1.00 0.00 C ATOM 1119 CG2 ILE A 847 -15.510 2.131 -0.598 1.00 0.00 C ATOM 1120 CD1 ILE A 847 -12.509 1.580 -0.353 1.00 0.00 C ATOM 0 H ILE A 847 -13.987 -0.584 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 847 -16.042 -0.508 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 847 -14.360 1.758 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 847 -13.921 0.053 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 847 -13.089 -0.183 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 847 -14.839 2.906 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 847 -16.325 2.592 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 847 -15.917 1.572 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 847 -11.698 1.072 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 847 -12.115 2.079 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 847 -12.959 2.319 0.310 1.00 0.00 H new ATOM 1132 N ALA A 848 -16.547 1.511 -3.796 1.00 0.00 N ATOM 1133 CA ALA A 848 -17.580 2.185 -4.572 1.00 0.00 C ATOM 1134 C ALA A 848 -18.651 1.201 -5.033 1.00 0.00 C ATOM 1135 O ALA A 848 -19.825 1.341 -4.690 1.00 0.00 O ATOM 1136 CB ALA A 848 -16.963 2.895 -5.768 1.00 0.00 C ATOM 0 H ALA A 848 -15.595 1.694 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 848 -18.057 2.926 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 848 -17.746 3.394 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 848 -16.241 3.634 -5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 848 -16.459 2.167 -6.403 1.00 0.00 H new ATOM 1142 N LYS A 849 -18.238 0.207 -5.811 1.00 0.00 N ATOM 1143 CA LYS A 849 -19.161 -0.801 -6.319 1.00 0.00 C ATOM 1144 C LYS A 849 -20.017 -1.372 -5.193 1.00 0.00 C ATOM 1145 O LYS A 849 -21.239 -1.230 -5.197 1.00 0.00 O ATOM 1146 CB LYS A 849 -18.389 -1.928 -7.008 1.00 0.00 C ATOM 1147 CG LYS A 849 -17.460 -1.445 -8.109 1.00 0.00 C ATOM 1148 CD LYS A 849 -18.211 -1.212 -9.409 1.00 0.00 C ATOM 1149 CE LYS A 849 -18.681 0.229 -9.532 1.00 0.00 C ATOM 1150 NZ LYS A 849 -17.650 1.096 -10.168 1.00 0.00 N ATOM 0 H LYS A 849 -17.270 0.078 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 849 -19.818 -0.322 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 849 -17.805 -2.466 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 849 -19.100 -2.639 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 849 -16.975 -0.520 -7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 849 -16.672 -2.180 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 849 -17.566 -1.458 -10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 849 -19.070 -1.881 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 849 -19.598 0.263 -10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 849 -18.923 0.618 -8.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 849 -18.008 2.070 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 849 -16.783 1.084 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 849 -17.438 0.740 -11.122 1.00 0.00 H new ATOM 1164 N ASN A 850 -19.366 -2.015 -4.229 1.00 0.00 N ATOM 1165 CA ASN A 850 -20.069 -2.606 -3.096 1.00 0.00 C ATOM 1166 C ASN A 850 -19.724 -1.876 -1.801 1.00 0.00 C ATOM 1167 O ASN A 850 -18.712 -2.165 -1.162 1.00 0.00 O ATOM 1168 CB ASN A 850 -19.715 -4.089 -2.967 1.00 0.00 C ATOM 1169 CG ASN A 850 -19.878 -4.602 -1.549 1.00 0.00 C ATOM 1170 OD1 ASN A 850 -20.666 -4.065 -0.770 1.00 0.00 O ATOM 1171 ND2 ASN A 850 -19.132 -5.646 -1.208 1.00 0.00 N ATOM 0 H ASN A 850 -18.354 -2.140 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 850 -21.140 -2.508 -3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -20.349 -4.671 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -18.685 -4.243 -3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -19.199 -6.035 -0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -18.492 -6.059 -1.887 1.00 0.00 H new ATOM 1178 N LEU A 851 -20.573 -0.927 -1.420 1.00 0.00 N ATOM 1179 CA LEU A 851 -20.360 -0.155 -0.201 1.00 0.00 C ATOM 1180 C LEU A 851 -20.533 -1.030 1.036 1.00 0.00 C ATOM 1181 O LEU A 851 -21.552 -1.703 1.195 1.00 0.00 O ATOM 1182 CB LEU A 851 -21.332 1.025 -0.145 1.00 0.00 C ATOM 1183 CG LEU A 851 -20.846 2.326 -0.784 1.00 0.00 C ATOM 1184 CD1 LEU A 851 -19.518 2.754 -0.179 1.00 0.00 C ATOM 1185 CD2 LEU A 851 -20.720 2.166 -2.292 1.00 0.00 C ATOM 0 H LEU A 851 -21.415 -0.674 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 851 -19.338 0.224 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -22.260 0.729 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -21.571 1.224 0.900 1.00 0.00 H new ATOM 0 HG LEU A 851 -21.582 3.104 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -19.188 3.682 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -19.640 2.911 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -18.773 1.977 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -20.373 3.102 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -20.005 1.374 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -21.692 1.907 -2.713 1.00 0.00 H new ATOM 1197 N ASP A 852 -19.532 -1.015 1.909 1.00 0.00 N ATOM 1198 CA ASP A 852 -19.575 -1.805 3.134 1.00 0.00 C ATOM 1199 C ASP A 852 -20.754 -1.389 4.009 1.00 0.00 C ATOM 1200 O ASP A 852 -21.391 -0.364 3.763 1.00 0.00 O ATOM 1201 CB ASP A 852 -18.267 -1.650 3.912 1.00 0.00 C ATOM 1202 CG ASP A 852 -18.027 -2.796 4.875 1.00 0.00 C ATOM 1203 OD1 ASP A 852 -18.503 -2.712 6.027 1.00 0.00 O ATOM 1204 OD2 ASP A 852 -17.363 -3.777 4.478 1.00 0.00 O ATOM 0 H ASP A 852 -18.681 -0.465 1.791 1.00 0.00 H new ATOM 0 HA ASP A 852 -19.703 -2.852 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 852 -17.435 -1.589 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 852 -18.286 -0.712 4.466 1.00 0.00 H new ATOM 1209 N SER A 853 -21.039 -2.190 5.030 1.00 0.00 N ATOM 1210 CA SER A 853 -22.145 -1.908 5.938 1.00 0.00 C ATOM 1211 C SER A 853 -21.651 -1.178 7.183 1.00 0.00 C ATOM 1212 O SER A 853 -20.659 -1.572 7.795 1.00 0.00 O ATOM 1213 CB SER A 853 -22.848 -3.206 6.339 1.00 0.00 C ATOM 1214 OG SER A 853 -22.024 -3.993 7.182 1.00 0.00 O ATOM 0 H SER A 853 -20.519 -3.040 5.250 1.00 0.00 H new ATOM 0 HA SER A 853 -22.855 -1.265 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 853 -23.782 -2.974 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 853 -23.107 -3.774 5.445 1.00 0.00 H new ATOM 0 HG SER A 853 -21.354 -3.421 7.611 1.00 0.00 H new ATOM 1220 N SER A 854 -22.352 -0.110 7.552 1.00 0.00 N ATOM 1221 CA SER A 854 -21.985 0.679 8.722 1.00 0.00 C ATOM 1222 C SER A 854 -22.547 0.056 9.996 1.00 0.00 C ATOM 1223 O SER A 854 -23.323 -0.897 9.944 1.00 0.00 O ATOM 1224 CB SER A 854 -22.493 2.114 8.576 1.00 0.00 C ATOM 1225 OG SER A 854 -23.908 2.163 8.638 1.00 0.00 O ATOM 0 H SER A 854 -23.177 0.228 7.057 1.00 0.00 H new ATOM 0 HA SER A 854 -20.897 0.692 8.794 1.00 0.00 H new ATOM 0 HB2 SER A 854 -22.070 2.735 9.365 1.00 0.00 H new ATOM 0 HB3 SER A 854 -22.153 2.529 7.627 1.00 0.00 H new ATOM 0 HG SER A 854 -24.208 3.091 8.544 1.00 0.00 H new ATOM 1231 N GLY A 855 -22.147 0.602 11.141 1.00 0.00 N ATOM 1232 CA GLY A 855 -22.620 0.087 12.413 1.00 0.00 C ATOM 1233 C GLY A 855 -21.801 0.593 13.583 1.00 0.00 C ATOM 1234 O GLY A 855 -21.146 1.633 13.507 1.00 0.00 O ATOM 0 H GLY A 855 -21.504 1.391 11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 855 -23.663 0.373 12.552 1.00 0.00 H new ATOM 0 HA3 GLY A 855 -22.588 -1.002 12.395 1.00 0.00 H new ATOM 1238 N PRO A 856 -21.832 -0.151 14.699 1.00 0.00 N ATOM 1239 CA PRO A 856 -21.093 0.209 15.912 1.00 0.00 C ATOM 1240 C PRO A 856 -19.585 0.061 15.738 1.00 0.00 C ATOM 1241 O PRO A 856 -18.818 0.273 16.677 1.00 0.00 O ATOM 1242 CB PRO A 856 -21.611 -0.787 16.952 1.00 0.00 C ATOM 1243 CG PRO A 856 -22.071 -1.960 16.157 1.00 0.00 C ATOM 1244 CD PRO A 856 -22.591 -1.403 14.860 1.00 0.00 C ATOM 0 HA PRO A 856 -21.246 1.252 16.187 1.00 0.00 H new ATOM 0 HB2 PRO A 856 -20.827 -1.068 17.655 1.00 0.00 H new ATOM 0 HB3 PRO A 856 -22.426 -0.361 17.537 1.00 0.00 H new ATOM 0 HG2 PRO A 856 -21.252 -2.658 15.982 1.00 0.00 H new ATOM 0 HG3 PRO A 856 -22.850 -2.509 16.686 1.00 0.00 H new ATOM 0 HD2 PRO A 856 -22.417 -2.088 14.030 1.00 0.00 H new ATOM 0 HD3 PRO A 856 -23.665 -1.220 14.903 1.00 0.00 H new ATOM 1252 N SER A 857 -19.166 -0.304 14.530 1.00 0.00 N ATOM 1253 CA SER A 857 -17.750 -0.483 14.234 1.00 0.00 C ATOM 1254 C SER A 857 -16.973 0.804 14.493 1.00 0.00 C ATOM 1255 O SER A 857 -17.419 1.894 14.134 1.00 0.00 O ATOM 1256 CB SER A 857 -17.563 -0.921 12.780 1.00 0.00 C ATOM 1257 OG SER A 857 -17.706 0.176 11.894 1.00 0.00 O ATOM 0 H SER A 857 -19.787 -0.481 13.741 1.00 0.00 H new ATOM 0 HA SER A 857 -17.362 -1.259 14.893 1.00 0.00 H new ATOM 0 HB2 SER A 857 -16.576 -1.367 12.655 1.00 0.00 H new ATOM 0 HB3 SER A 857 -18.294 -1.690 12.532 1.00 0.00 H new ATOM 0 HG SER A 857 -17.580 -0.130 10.972 1.00 0.00 H new ATOM 1263 N SER A 858 -15.809 0.670 15.120 1.00 0.00 N ATOM 1264 CA SER A 858 -14.971 1.822 15.432 1.00 0.00 C ATOM 1265 C SER A 858 -14.618 2.595 14.165 1.00 0.00 C ATOM 1266 O SER A 858 -14.152 3.732 14.228 1.00 0.00 O ATOM 1267 CB SER A 858 -13.692 1.372 16.142 1.00 0.00 C ATOM 1268 OG SER A 858 -12.889 0.575 15.289 1.00 0.00 O ATOM 0 H SER A 858 -15.424 -0.225 15.422 1.00 0.00 H new ATOM 0 HA SER A 858 -15.533 2.481 16.094 1.00 0.00 H new ATOM 0 HB2 SER A 858 -13.127 2.245 16.468 1.00 0.00 H new ATOM 0 HB3 SER A 858 -13.949 0.806 17.038 1.00 0.00 H new ATOM 0 HG SER A 858 -12.077 0.302 15.765 1.00 0.00 H new ATOM 1274 N GLY A 859 -14.844 1.969 13.014 1.00 0.00 N ATOM 1275 CA GLY A 859 -14.544 2.612 11.749 1.00 0.00 C ATOM 1276 C GLY A 859 -13.192 2.204 11.197 1.00 0.00 C ATOM 1277 O GLY A 859 -12.174 2.822 11.511 1.00 0.00 O ATOM 0 H GLY A 859 -15.230 1.028 12.936 1.00 0.00 H new ATOM 0 HA2 GLY A 859 -15.319 2.361 11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 859 -14.568 3.694 11.880 1.00 0.00 H new TER 1281 GLY A 859