USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 109 MET CE :methyl -120:sc= -0.376 (180deg=-0.679) USER MOD Set 1.2: A 124 MET CE :methyl -112:sc= -0.129 (180deg=-0.714) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -133:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HE2:sc= 0.897 K(o=2.1,f=-3.8) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 10:sc= 0.103 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.36) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.996 K(o=-1,f=-6.4!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -2.99! USER MOD Single : A 135 GLN : amide:sc= -9.37! C(o=-9.4!,f=-10!) USER MOD Single : A 137 ASN : amide:sc= -6.94! C(o=-6.9!,f=-13!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot -129:sc= -7.6! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -28.971 -0.450 -2.247 1.00 0.00 N ATOM 2 CA MET A 76 -29.200 -1.749 -1.554 1.00 0.00 C ATOM 3 C MET A 76 -28.157 -1.930 -0.451 1.00 0.00 C ATOM 4 O MET A 76 -27.645 -3.012 -0.238 1.00 0.00 O ATOM 5 CB MET A 76 -29.078 -2.892 -2.563 1.00 0.00 C ATOM 6 CG MET A 76 -29.982 -4.048 -2.133 1.00 0.00 C ATOM 7 SD MET A 76 -31.713 -3.530 -2.240 1.00 0.00 S ATOM 8 CE MET A 76 -32.338 -5.010 -3.072 1.00 0.00 C ATOM 0 HA MET A 76 -30.198 -1.756 -1.115 1.00 0.00 H new ATOM 0 HB2 MET A 76 -29.360 -2.546 -3.557 1.00 0.00 H new ATOM 0 HB3 MET A 76 -28.043 -3.229 -2.624 1.00 0.00 H new ATOM 0 HG2 MET A 76 -29.810 -4.915 -2.771 1.00 0.00 H new ATOM 0 HG3 MET A 76 -29.744 -4.350 -1.113 1.00 0.00 H new ATOM 0 HE1 MET A 76 -33.410 -4.907 -3.242 1.00 0.00 H new ATOM 0 HE2 MET A 76 -31.829 -5.132 -4.028 1.00 0.00 H new ATOM 0 HE3 MET A 76 -32.152 -5.884 -2.448 1.00 0.00 H new ATOM 20 N LYS A 77 -27.837 -0.880 0.254 1.00 0.00 N ATOM 21 CA LYS A 77 -26.827 -0.995 1.341 1.00 0.00 C ATOM 22 C LYS A 77 -25.456 -1.299 0.733 1.00 0.00 C ATOM 23 O LYS A 77 -25.352 -1.849 -0.345 1.00 0.00 O ATOM 24 CB LYS A 77 -27.227 -2.126 2.293 1.00 0.00 C ATOM 25 CG LYS A 77 -28.726 -2.042 2.589 1.00 0.00 C ATOM 26 CD LYS A 77 -29.040 -0.704 3.262 1.00 0.00 C ATOM 27 CE LYS A 77 -28.262 -0.598 4.576 1.00 0.00 C ATOM 28 NZ LYS A 77 -29.200 -0.262 5.684 1.00 0.00 N ATOM 0 H LYS A 77 -28.231 0.052 0.124 1.00 0.00 H new ATOM 0 HA LYS A 77 -26.779 -0.057 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -26.988 -3.092 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -26.658 -2.053 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -29.296 -2.139 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -29.026 -2.866 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -28.771 0.120 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -30.110 -0.623 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -27.755 -1.539 4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -27.491 0.168 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -28.671 -0.190 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -29.664 0.647 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -29.920 -1.008 5.767 1.00 0.00 H new ATOM 42 N ASP A 78 -24.402 -0.947 1.418 1.00 0.00 N ATOM 43 CA ASP A 78 -23.039 -1.215 0.880 1.00 0.00 C ATOM 44 C ASP A 78 -22.301 -2.176 1.814 1.00 0.00 C ATOM 45 O ASP A 78 -21.154 -2.513 1.593 1.00 0.00 O ATOM 46 CB ASP A 78 -22.260 0.099 0.787 1.00 0.00 C ATOM 47 CG ASP A 78 -22.362 0.653 -0.634 1.00 0.00 C ATOM 48 OD1 ASP A 78 -23.471 0.923 -1.065 1.00 0.00 O ATOM 49 OD2 ASP A 78 -21.330 0.798 -1.268 1.00 0.00 O ATOM 0 H ASP A 78 -24.427 -0.485 2.327 1.00 0.00 H new ATOM 0 HA ASP A 78 -23.122 -1.661 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -22.658 0.821 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -21.215 -0.066 1.050 1.00 0.00 H new ATOM 54 N THR A 79 -22.945 -2.617 2.860 1.00 0.00 N ATOM 55 CA THR A 79 -22.277 -3.550 3.809 1.00 0.00 C ATOM 56 C THR A 79 -20.874 -3.031 4.123 1.00 0.00 C ATOM 57 O THR A 79 -20.583 -1.862 3.960 1.00 0.00 O ATOM 58 CB THR A 79 -22.179 -4.942 3.182 1.00 0.00 C ATOM 59 OG1 THR A 79 -21.328 -4.894 2.046 1.00 0.00 O ATOM 60 CG2 THR A 79 -23.570 -5.412 2.760 1.00 0.00 C ATOM 0 H THR A 79 -23.906 -2.371 3.098 1.00 0.00 H new ATOM 0 HA THR A 79 -22.859 -3.611 4.728 1.00 0.00 H new ATOM 0 HB THR A 79 -21.768 -5.639 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 79 -20.876 -4.025 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 79 -23.499 -6.404 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 79 -24.221 -5.453 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 79 -23.984 -4.715 2.032 1.00 0.00 H new ATOM 68 N ASP A 80 -20.001 -3.888 4.576 1.00 0.00 N ATOM 69 CA ASP A 80 -18.619 -3.440 4.904 1.00 0.00 C ATOM 70 C ASP A 80 -17.608 -4.190 4.034 1.00 0.00 C ATOM 71 O ASP A 80 -16.418 -3.964 4.120 1.00 0.00 O ATOM 72 CB ASP A 80 -18.328 -3.726 6.378 1.00 0.00 C ATOM 73 CG ASP A 80 -19.562 -3.389 7.217 1.00 0.00 C ATOM 74 OD1 ASP A 80 -20.427 -4.242 7.331 1.00 0.00 O ATOM 75 OD2 ASP A 80 -19.621 -2.285 7.730 1.00 0.00 O ATOM 0 H ASP A 80 -20.185 -4.879 4.733 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.535 -2.370 4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.061 -4.774 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -17.475 -3.135 6.713 1.00 0.00 H new ATOM 80 N SER A 81 -18.065 -5.084 3.199 1.00 0.00 N ATOM 81 CA SER A 81 -17.115 -5.843 2.337 1.00 0.00 C ATOM 82 C SER A 81 -16.568 -4.931 1.246 1.00 0.00 C ATOM 83 O SER A 81 -15.561 -5.210 0.627 1.00 0.00 O ATOM 84 CB SER A 81 -17.834 -7.033 1.698 1.00 0.00 C ATOM 85 OG SER A 81 -16.959 -7.670 0.776 1.00 0.00 O ATOM 0 H SER A 81 -19.050 -5.320 3.077 1.00 0.00 H new ATOM 0 HA SER A 81 -16.290 -6.207 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 81 -18.147 -7.739 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 81 -18.736 -6.696 1.188 1.00 0.00 H new ATOM 0 HG SER A 81 -17.416 -8.434 0.366 1.00 0.00 H new ATOM 91 N GLU A 82 -17.225 -3.841 1.018 1.00 0.00 N ATOM 92 CA GLU A 82 -16.756 -2.886 -0.026 1.00 0.00 C ATOM 93 C GLU A 82 -15.831 -1.848 0.609 1.00 0.00 C ATOM 94 O GLU A 82 -15.020 -1.232 -0.054 1.00 0.00 O ATOM 95 CB GLU A 82 -17.957 -2.184 -0.662 1.00 0.00 C ATOM 96 CG GLU A 82 -18.544 -1.172 0.324 1.00 0.00 C ATOM 97 CD GLU A 82 -18.052 0.232 -0.032 1.00 0.00 C ATOM 98 OE1 GLU A 82 -18.694 0.873 -0.848 1.00 0.00 O ATOM 99 OE2 GLU A 82 -17.043 0.642 0.516 1.00 0.00 O ATOM 0 H GLU A 82 -18.074 -3.562 1.510 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.212 -3.433 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.652 -1.679 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -18.714 -2.917 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -19.633 -1.206 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -18.247 -1.426 1.342 1.00 0.00 H new ATOM 106 N GLU A 83 -15.954 -1.653 1.888 1.00 0.00 N ATOM 107 CA GLU A 83 -15.095 -0.659 2.584 1.00 0.00 C ATOM 108 C GLU A 83 -13.816 -1.339 3.073 1.00 0.00 C ATOM 109 O GLU A 83 -13.061 -0.784 3.846 1.00 0.00 O ATOM 110 CB GLU A 83 -15.852 -0.084 3.783 1.00 0.00 C ATOM 111 CG GLU A 83 -16.300 1.344 3.469 1.00 0.00 C ATOM 112 CD GLU A 83 -17.817 1.449 3.632 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.257 1.700 4.742 1.00 0.00 O ATOM 114 OE2 GLU A 83 -18.513 1.278 2.645 1.00 0.00 O ATOM 0 H GLU A 83 -16.618 -2.143 2.487 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.838 0.144 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.718 -0.706 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.213 -0.090 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.802 2.048 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.013 1.611 2.452 1.00 0.00 H new ATOM 121 N GLU A 84 -13.568 -2.540 2.632 1.00 0.00 N ATOM 122 CA GLU A 84 -12.341 -3.257 3.074 1.00 0.00 C ATOM 123 C GLU A 84 -11.111 -2.638 2.403 1.00 0.00 C ATOM 124 O GLU A 84 -10.006 -2.746 2.896 1.00 0.00 O ATOM 125 CB GLU A 84 -12.449 -4.733 2.684 1.00 0.00 C ATOM 126 CG GLU A 84 -12.255 -5.606 3.926 1.00 0.00 C ATOM 127 CD GLU A 84 -13.344 -6.680 3.969 1.00 0.00 C ATOM 128 OE1 GLU A 84 -13.889 -6.986 2.921 1.00 0.00 O ATOM 129 OE2 GLU A 84 -13.613 -7.178 5.049 1.00 0.00 O ATOM 0 H GLU A 84 -14.163 -3.056 1.984 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.240 -3.171 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.423 -4.931 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.697 -4.978 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.270 -6.072 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.299 -4.992 4.826 1.00 0.00 H new ATOM 136 N ILE A 85 -11.290 -1.994 1.281 1.00 0.00 N ATOM 137 CA ILE A 85 -10.131 -1.378 0.584 1.00 0.00 C ATOM 138 C ILE A 85 -9.818 -0.014 1.199 1.00 0.00 C ATOM 139 O ILE A 85 -8.674 0.369 1.332 1.00 0.00 O ATOM 140 CB ILE A 85 -10.461 -1.201 -0.898 1.00 0.00 C ATOM 141 CG1 ILE A 85 -11.037 -2.502 -1.451 1.00 0.00 C ATOM 142 CG2 ILE A 85 -9.188 -0.837 -1.665 1.00 0.00 C ATOM 143 CD1 ILE A 85 -12.565 -2.416 -1.467 1.00 0.00 C ATOM 0 H ILE A 85 -12.191 -1.869 0.819 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.263 -2.029 0.692 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.194 -0.403 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.661 -2.679 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.716 -3.344 -0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.423 -0.711 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.779 0.093 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.453 -1.634 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -12.978 -3.344 -1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.931 -2.259 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.876 -1.584 -2.098 1.00 0.00 H new ATOM 155 N ARG A 86 -10.826 0.726 1.569 1.00 0.00 N ATOM 156 CA ARG A 86 -10.581 2.069 2.170 1.00 0.00 C ATOM 157 C ARG A 86 -9.760 1.919 3.451 1.00 0.00 C ATOM 158 O ARG A 86 -8.850 2.683 3.707 1.00 0.00 O ATOM 159 CB ARG A 86 -11.919 2.733 2.502 1.00 0.00 C ATOM 160 CG ARG A 86 -12.040 4.050 1.732 1.00 0.00 C ATOM 161 CD ARG A 86 -12.148 5.210 2.723 1.00 0.00 C ATOM 162 NE ARG A 86 -13.501 5.204 3.347 1.00 0.00 N ATOM 163 CZ ARG A 86 -14.364 6.134 3.043 1.00 0.00 C ATOM 164 NH1 ARG A 86 -14.643 6.382 1.793 1.00 0.00 N ATOM 165 NH2 ARG A 86 -14.943 6.820 3.990 1.00 0.00 N ATOM 0 H ARG A 86 -11.807 0.461 1.482 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.033 2.686 1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.742 2.069 2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.989 2.918 3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.172 4.188 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.917 4.027 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.381 5.119 3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.976 6.157 2.211 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.753 4.473 4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.186 5.849 1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.318 7.109 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.721 6.629 4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.618 7.547 3.753 1.00 0.00 H new ATOM 179 N GLU A 87 -10.071 0.944 4.261 1.00 0.00 N ATOM 180 CA GLU A 87 -9.303 0.760 5.522 1.00 0.00 C ATOM 181 C GLU A 87 -7.986 0.052 5.216 1.00 0.00 C ATOM 182 O GLU A 87 -6.994 0.266 5.882 1.00 0.00 O ATOM 183 CB GLU A 87 -10.121 -0.073 6.510 1.00 0.00 C ATOM 184 CG GLU A 87 -10.698 -1.297 5.795 1.00 0.00 C ATOM 185 CD GLU A 87 -10.377 -2.558 6.600 1.00 0.00 C ATOM 186 OE1 GLU A 87 -9.269 -3.050 6.476 1.00 0.00 O ATOM 187 OE2 GLU A 87 -11.248 -3.009 7.327 1.00 0.00 O ATOM 0 H GLU A 87 -10.821 0.270 4.104 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.096 1.734 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.493 -0.388 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.927 0.529 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.777 -1.190 5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.279 -1.377 4.792 1.00 0.00 H new ATOM 194 N ALA A 88 -7.955 -0.776 4.210 1.00 0.00 N ATOM 195 CA ALA A 88 -6.685 -1.466 3.866 1.00 0.00 C ATOM 196 C ALA A 88 -5.703 -0.415 3.360 1.00 0.00 C ATOM 197 O ALA A 88 -4.501 -0.557 3.473 1.00 0.00 O ATOM 198 CB ALA A 88 -6.939 -2.505 2.772 1.00 0.00 C ATOM 0 H ALA A 88 -8.751 -1.003 3.614 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.281 -1.975 4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.004 -3.008 2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.662 -3.239 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.332 -2.010 1.884 1.00 0.00 H new ATOM 204 N PHE A 89 -6.218 0.651 2.813 1.00 0.00 N ATOM 205 CA PHE A 89 -5.340 1.729 2.309 1.00 0.00 C ATOM 206 C PHE A 89 -4.659 2.414 3.487 1.00 0.00 C ATOM 207 O PHE A 89 -3.451 2.522 3.550 1.00 0.00 O ATOM 208 CB PHE A 89 -6.171 2.762 1.556 1.00 0.00 C ATOM 209 CG PHE A 89 -5.273 3.913 1.190 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.359 3.763 0.147 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.345 5.118 1.898 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.510 4.820 -0.199 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.494 6.179 1.554 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.577 6.029 0.505 1.00 0.00 C ATOM 0 H PHE A 89 -7.217 0.817 2.695 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.594 1.300 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.606 2.320 0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.999 3.108 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.307 2.830 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.053 5.231 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.804 4.704 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.546 7.111 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.922 6.846 0.239 1.00 0.00 H new ATOM 224 N ARG A 90 -5.436 2.877 4.424 1.00 0.00 N ATOM 225 CA ARG A 90 -4.854 3.559 5.608 1.00 0.00 C ATOM 226 C ARG A 90 -4.003 2.559 6.388 1.00 0.00 C ATOM 227 O ARG A 90 -3.048 2.918 7.050 1.00 0.00 O ATOM 228 CB ARG A 90 -5.988 4.076 6.493 1.00 0.00 C ATOM 229 CG ARG A 90 -5.942 5.602 6.543 1.00 0.00 C ATOM 230 CD ARG A 90 -7.224 6.133 7.189 1.00 0.00 C ATOM 231 NE ARG A 90 -7.572 5.298 8.373 1.00 0.00 N ATOM 232 CZ ARG A 90 -8.731 5.441 8.953 1.00 0.00 C ATOM 233 NH1 ARG A 90 -9.754 4.737 8.549 1.00 0.00 N ATOM 234 NH2 ARG A 90 -8.870 6.291 9.933 1.00 0.00 N ATOM 0 H ARG A 90 -6.454 2.811 4.419 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.232 4.396 5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.949 3.743 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.894 3.666 7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.073 5.931 7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.836 6.006 5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.087 7.171 7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.041 6.116 6.467 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.904 4.615 8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.646 4.076 7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.661 4.849 9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.072 6.844 10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.777 6.403 10.387 1.00 0.00 H new ATOM 248 N VAL A 91 -4.334 1.301 6.302 1.00 0.00 N ATOM 249 CA VAL A 91 -3.539 0.273 7.022 1.00 0.00 C ATOM 250 C VAL A 91 -2.064 0.496 6.695 1.00 0.00 C ATOM 251 O VAL A 91 -1.186 0.237 7.494 1.00 0.00 O ATOM 252 CB VAL A 91 -3.991 -1.118 6.565 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.912 -2.155 6.874 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.275 -1.495 7.304 1.00 0.00 C ATOM 0 H VAL A 91 -5.122 0.942 5.763 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.686 0.348 8.099 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.167 -1.099 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.247 -3.138 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.993 -1.890 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.725 -2.177 7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.602 -2.484 6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.087 -1.505 8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.052 -0.765 7.079 1.00 0.00 H new ATOM 264 N PHE A 92 -1.794 1.005 5.527 1.00 0.00 N ATOM 265 CA PHE A 92 -0.389 1.285 5.132 1.00 0.00 C ATOM 266 C PHE A 92 -0.115 2.768 5.379 1.00 0.00 C ATOM 267 O PHE A 92 0.964 3.162 5.772 1.00 0.00 O ATOM 268 CB PHE A 92 -0.211 0.964 3.648 1.00 0.00 C ATOM 269 CG PHE A 92 -0.283 -0.531 3.443 1.00 0.00 C ATOM 270 CD1 PHE A 92 0.867 -1.315 3.599 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.501 -1.135 3.096 1.00 0.00 C ATOM 272 CE1 PHE A 92 0.801 -2.701 3.409 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.565 -2.521 2.906 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.415 -3.304 3.062 1.00 0.00 C ATOM 0 H PHE A 92 -2.494 1.241 4.823 1.00 0.00 H new ATOM 0 HA PHE A 92 0.304 0.675 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.985 1.460 3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.748 1.344 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.805 -0.851 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.388 -0.531 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.688 -3.305 3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.502 -2.986 2.639 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.465 -4.373 2.915 1.00 0.00 H new ATOM 284 N ASP A 93 -1.107 3.588 5.160 1.00 0.00 N ATOM 285 CA ASP A 93 -0.951 5.049 5.384 1.00 0.00 C ATOM 286 C ASP A 93 -1.341 5.369 6.830 1.00 0.00 C ATOM 287 O ASP A 93 -2.504 5.527 7.146 1.00 0.00 O ATOM 288 CB ASP A 93 -1.881 5.788 4.421 1.00 0.00 C ATOM 289 CG ASP A 93 -1.497 7.268 4.363 1.00 0.00 C ATOM 290 OD1 ASP A 93 -1.852 7.988 5.282 1.00 0.00 O ATOM 291 OD2 ASP A 93 -0.855 7.654 3.401 1.00 0.00 O ATOM 0 H ASP A 93 -2.029 3.302 4.831 1.00 0.00 H new ATOM 0 HA ASP A 93 0.079 5.359 5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.815 5.347 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.916 5.684 4.748 1.00 0.00 H new ATOM 296 N LYS A 94 -0.384 5.440 7.715 1.00 0.00 N ATOM 297 CA LYS A 94 -0.708 5.718 9.140 1.00 0.00 C ATOM 298 C LYS A 94 -0.704 7.220 9.415 1.00 0.00 C ATOM 299 O LYS A 94 -1.372 7.695 10.312 1.00 0.00 O ATOM 300 CB LYS A 94 0.327 5.029 10.023 1.00 0.00 C ATOM 301 CG LYS A 94 0.390 3.542 9.666 1.00 0.00 C ATOM 302 CD LYS A 94 -0.242 2.714 10.786 1.00 0.00 C ATOM 303 CE LYS A 94 0.734 2.611 11.959 1.00 0.00 C ATOM 304 NZ LYS A 94 0.391 1.419 12.786 1.00 0.00 N ATOM 0 H LYS A 94 0.608 5.317 7.511 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.705 5.336 9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.305 5.490 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.064 5.151 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.134 3.361 8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.426 3.238 9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.173 3.177 11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.493 1.719 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.756 2.529 11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.686 3.515 12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.380 1.685 13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.547 1.064 12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.101 0.674 12.633 1.00 0.00 H new ATOM 318 N ASP A 95 0.028 7.974 8.654 1.00 0.00 N ATOM 319 CA ASP A 95 0.047 9.447 8.887 1.00 0.00 C ATOM 320 C ASP A 95 -1.214 10.065 8.280 1.00 0.00 C ATOM 321 O ASP A 95 -1.380 11.269 8.270 1.00 0.00 O ATOM 322 CB ASP A 95 1.286 10.076 8.240 1.00 0.00 C ATOM 323 CG ASP A 95 1.606 9.369 6.921 1.00 0.00 C ATOM 324 OD1 ASP A 95 0.756 9.376 6.045 1.00 0.00 O ATOM 325 OD2 ASP A 95 2.696 8.833 6.812 1.00 0.00 O ATOM 0 H ASP A 95 0.611 7.643 7.886 1.00 0.00 H new ATOM 0 HA ASP A 95 0.079 9.638 9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.113 11.137 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.137 10.002 8.917 1.00 0.00 H new ATOM 330 N GLY A 96 -2.110 9.248 7.782 1.00 0.00 N ATOM 331 CA GLY A 96 -3.365 9.787 7.181 1.00 0.00 C ATOM 332 C GLY A 96 -3.050 11.035 6.354 1.00 0.00 C ATOM 333 O GLY A 96 -3.841 11.951 6.269 1.00 0.00 O ATOM 0 H GLY A 96 -2.025 8.232 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.831 9.030 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.080 10.031 7.967 1.00 0.00 H new ATOM 337 N ASN A 97 -1.897 11.076 5.744 1.00 0.00 N ATOM 338 CA ASN A 97 -1.531 12.264 4.921 1.00 0.00 C ATOM 339 C ASN A 97 -2.295 12.209 3.595 1.00 0.00 C ATOM 340 O ASN A 97 -3.197 12.986 3.352 1.00 0.00 O ATOM 341 CB ASN A 97 -0.013 12.249 4.670 1.00 0.00 C ATOM 342 CG ASN A 97 0.330 12.989 3.372 1.00 0.00 C ATOM 343 OD1 ASN A 97 0.071 14.169 3.243 1.00 0.00 O ATOM 344 ND2 ASN A 97 0.907 12.336 2.399 1.00 0.00 N ATOM 0 H ASN A 97 -1.193 10.339 5.780 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.795 13.184 5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.504 12.717 5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.341 11.220 4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.140 12.817 1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.124 11.345 2.508 1.00 0.00 H new ATOM 351 N GLY A 98 -1.940 11.294 2.739 1.00 0.00 N ATOM 352 CA GLY A 98 -2.638 11.179 1.428 1.00 0.00 C ATOM 353 C GLY A 98 -2.005 10.044 0.628 1.00 0.00 C ATOM 354 O GLY A 98 -2.675 9.134 0.183 1.00 0.00 O ATOM 0 H GLY A 98 -1.193 10.617 2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.699 10.985 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.562 12.116 0.877 1.00 0.00 H new ATOM 358 N TYR A 99 -0.715 10.089 0.451 1.00 0.00 N ATOM 359 CA TYR A 99 -0.027 9.015 -0.308 1.00 0.00 C ATOM 360 C TYR A 99 0.778 8.155 0.664 1.00 0.00 C ATOM 361 O TYR A 99 1.208 8.611 1.705 1.00 0.00 O ATOM 362 CB TYR A 99 0.921 9.632 -1.338 1.00 0.00 C ATOM 363 CG TYR A 99 0.176 10.622 -2.196 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.218 10.553 -2.312 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.885 11.615 -2.873 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.898 11.480 -3.107 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.207 12.541 -3.670 1.00 0.00 C ATOM 368 CZ TYR A 99 -1.186 12.475 -3.788 1.00 0.00 C ATOM 369 OH TYR A 99 -1.858 13.390 -4.572 1.00 0.00 O ATOM 0 H TYR A 99 -0.106 10.828 0.802 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.768 8.403 -0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.749 10.128 -0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.352 8.849 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.767 9.785 -1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.960 11.668 -2.781 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.973 11.429 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.758 13.308 -4.195 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.215 14.012 -4.973 1.00 0.00 H new ATOM 379 N ILE A 100 0.980 6.915 0.336 1.00 0.00 N ATOM 380 CA ILE A 100 1.748 6.016 1.234 1.00 0.00 C ATOM 381 C ILE A 100 3.239 6.101 0.905 1.00 0.00 C ATOM 382 O ILE A 100 3.646 5.959 -0.231 1.00 0.00 O ATOM 383 CB ILE A 100 1.255 4.593 1.020 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.176 4.486 1.556 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.161 3.615 1.768 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.765 3.123 1.206 1.00 0.00 C ATOM 0 H ILE A 100 0.643 6.481 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 100 1.603 6.313 2.273 1.00 0.00 H new ATOM 0 HB ILE A 100 1.274 4.348 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.179 4.626 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.792 5.278 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.804 2.597 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.181 3.704 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.145 3.846 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.782 3.057 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.778 3.000 0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.156 2.338 1.653 1.00 0.00 H new ATOM 398 N SER A 101 4.056 6.330 1.896 1.00 0.00 N ATOM 399 CA SER A 101 5.522 6.424 1.651 1.00 0.00 C ATOM 400 C SER A 101 6.150 5.037 1.799 1.00 0.00 C ATOM 401 O SER A 101 5.466 4.056 2.019 1.00 0.00 O ATOM 402 CB SER A 101 6.146 7.377 2.672 1.00 0.00 C ATOM 403 OG SER A 101 6.255 6.715 3.925 1.00 0.00 O ATOM 0 H SER A 101 3.770 6.456 2.867 1.00 0.00 H new ATOM 0 HA SER A 101 5.702 6.800 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.130 7.700 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.533 8.273 2.773 1.00 0.00 H new ATOM 0 HG SER A 101 6.656 7.322 4.582 1.00 0.00 H new ATOM 409 N ALA A 102 7.444 4.948 1.684 1.00 0.00 N ATOM 410 CA ALA A 102 8.112 3.625 1.822 1.00 0.00 C ATOM 411 C ALA A 102 7.980 3.139 3.264 1.00 0.00 C ATOM 412 O ALA A 102 7.569 2.024 3.520 1.00 0.00 O ATOM 413 CB ALA A 102 9.593 3.763 1.463 1.00 0.00 C ATOM 0 H ALA A 102 8.068 5.733 1.500 1.00 0.00 H new ATOM 0 HA ALA A 102 7.641 2.906 1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.084 2.795 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.687 4.112 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.065 4.480 2.135 1.00 0.00 H new ATOM 419 N ALA A 103 8.326 3.967 4.207 1.00 0.00 N ATOM 420 CA ALA A 103 8.226 3.560 5.632 1.00 0.00 C ATOM 421 C ALA A 103 6.770 3.231 5.969 1.00 0.00 C ATOM 422 O ALA A 103 6.492 2.408 6.819 1.00 0.00 O ATOM 423 CB ALA A 103 8.716 4.704 6.523 1.00 0.00 C ATOM 0 H ALA A 103 8.675 4.912 4.050 1.00 0.00 H new ATOM 0 HA ALA A 103 8.843 2.678 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.643 4.407 7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.754 4.934 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.100 5.587 6.353 1.00 0.00 H new ATOM 429 N GLU A 104 5.837 3.859 5.306 1.00 0.00 N ATOM 430 CA GLU A 104 4.405 3.568 5.588 1.00 0.00 C ATOM 431 C GLU A 104 4.051 2.201 5.001 1.00 0.00 C ATOM 432 O GLU A 104 3.212 1.490 5.517 1.00 0.00 O ATOM 433 CB GLU A 104 3.524 4.644 4.948 1.00 0.00 C ATOM 434 CG GLU A 104 3.581 5.920 5.791 1.00 0.00 C ATOM 435 CD GLU A 104 3.078 7.099 4.958 1.00 0.00 C ATOM 436 OE1 GLU A 104 1.977 7.007 4.441 1.00 0.00 O ATOM 437 OE2 GLU A 104 3.802 8.075 4.851 1.00 0.00 O ATOM 0 H GLU A 104 6.005 4.559 4.583 1.00 0.00 H new ATOM 0 HA GLU A 104 4.236 3.563 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.864 4.851 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.496 4.290 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.970 5.806 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.602 6.104 6.124 1.00 0.00 H new ATOM 444 N LEU A 105 4.695 1.827 3.928 1.00 0.00 N ATOM 445 CA LEU A 105 4.408 0.503 3.308 1.00 0.00 C ATOM 446 C LEU A 105 5.349 -0.546 3.903 1.00 0.00 C ATOM 447 O LEU A 105 5.199 -1.730 3.677 1.00 0.00 O ATOM 448 CB LEU A 105 4.629 0.588 1.795 1.00 0.00 C ATOM 449 CG LEU A 105 4.176 -0.717 1.140 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.784 -0.528 0.534 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.163 -1.105 0.036 1.00 0.00 C ATOM 0 H LEU A 105 5.408 2.382 3.454 1.00 0.00 H new ATOM 0 HA LEU A 105 3.374 0.222 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.071 1.428 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.682 0.769 1.580 1.00 0.00 H new ATOM 0 HG LEU A 105 4.142 -1.506 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.461 -1.458 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.080 -0.252 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.818 0.262 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.840 -2.035 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.198 -0.316 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.155 -1.241 0.466 1.00 0.00 H new ATOM 463 N ARG A 106 6.322 -0.121 4.663 1.00 0.00 N ATOM 464 CA ARG A 106 7.272 -1.094 5.269 1.00 0.00 C ATOM 465 C ARG A 106 6.761 -1.510 6.649 1.00 0.00 C ATOM 466 O ARG A 106 6.841 -2.660 7.031 1.00 0.00 O ATOM 467 CB ARG A 106 8.645 -0.436 5.411 1.00 0.00 C ATOM 468 CG ARG A 106 9.559 -1.332 6.247 1.00 0.00 C ATOM 469 CD ARG A 106 10.817 -0.555 6.635 1.00 0.00 C ATOM 470 NE ARG A 106 11.610 -1.350 7.614 1.00 0.00 N ATOM 471 CZ ARG A 106 12.913 -1.352 7.550 1.00 0.00 C ATOM 472 NH1 ARG A 106 13.524 -2.094 6.665 1.00 0.00 N ATOM 473 NH2 ARG A 106 13.607 -0.614 8.375 1.00 0.00 N ATOM 0 H ARG A 106 6.499 0.858 4.890 1.00 0.00 H new ATOM 0 HA ARG A 106 7.353 -1.974 4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.083 -0.270 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.544 0.541 5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.036 -1.669 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.829 -2.223 5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.417 -0.347 5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.544 0.407 7.068 1.00 0.00 H new ATOM 0 HE ARG A 106 11.134 -1.893 8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.982 -2.673 6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.543 -2.095 6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.130 -0.037 9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.626 -0.615 8.326 1.00 0.00 H new ATOM 487 N HIS A 107 6.238 -0.582 7.402 1.00 0.00 N ATOM 488 CA HIS A 107 5.722 -0.923 8.758 1.00 0.00 C ATOM 489 C HIS A 107 4.700 -2.059 8.649 1.00 0.00 C ATOM 490 O HIS A 107 4.604 -2.903 9.517 1.00 0.00 O ATOM 491 CB HIS A 107 5.053 0.313 9.370 1.00 0.00 C ATOM 492 CG HIS A 107 4.218 -0.091 10.557 1.00 0.00 C ATOM 493 ND1 HIS A 107 4.750 -0.777 11.639 1.00 0.00 N ATOM 494 CD2 HIS A 107 2.887 0.087 10.845 1.00 0.00 C ATOM 495 CE1 HIS A 107 3.752 -0.985 12.517 1.00 0.00 C ATOM 496 NE2 HIS A 107 2.595 -0.478 12.084 1.00 0.00 N ATOM 0 H HIS A 107 6.146 0.399 7.137 1.00 0.00 H new ATOM 0 HA HIS A 107 6.548 -1.243 9.393 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.811 1.034 9.676 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.428 0.805 8.625 1.00 0.00 H new ATOM 0 HD1 HIS A 107 5.721 -1.070 11.749 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.175 0.589 10.207 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.872 -1.500 13.459 1.00 0.00 H new ATOM 504 N VAL A 108 3.928 -2.083 7.596 1.00 0.00 N ATOM 505 CA VAL A 108 2.911 -3.163 7.449 1.00 0.00 C ATOM 506 C VAL A 108 3.523 -4.364 6.737 1.00 0.00 C ATOM 507 O VAL A 108 3.340 -5.497 7.136 1.00 0.00 O ATOM 508 CB VAL A 108 1.722 -2.639 6.646 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.777 -3.796 6.322 1.00 0.00 C ATOM 510 CG2 VAL A 108 0.979 -1.586 7.473 1.00 0.00 C ATOM 0 H VAL A 108 3.957 -1.405 6.835 1.00 0.00 H new ATOM 0 HA VAL A 108 2.573 -3.472 8.438 1.00 0.00 H new ATOM 0 HB VAL A 108 2.075 -2.191 5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.072 -3.423 5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.308 -4.547 5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.420 -4.245 7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.129 -1.209 6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.624 -2.036 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.654 -0.762 7.705 1.00 0.00 H new ATOM 520 N MET A 109 4.254 -4.130 5.690 1.00 0.00 N ATOM 521 CA MET A 109 4.884 -5.264 4.956 1.00 0.00 C ATOM 522 C MET A 109 5.965 -5.896 5.838 1.00 0.00 C ATOM 523 O MET A 109 6.519 -6.929 5.516 1.00 0.00 O ATOM 524 CB MET A 109 5.511 -4.753 3.656 1.00 0.00 C ATOM 525 CG MET A 109 4.410 -4.217 2.737 1.00 0.00 C ATOM 526 SD MET A 109 3.167 -5.506 2.466 1.00 0.00 S ATOM 527 CE MET A 109 4.176 -6.583 1.421 1.00 0.00 C ATOM 0 H MET A 109 4.445 -3.204 5.307 1.00 0.00 H new ATOM 0 HA MET A 109 4.126 -6.010 4.716 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.234 -3.967 3.873 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.054 -5.558 3.160 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.946 -3.337 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.837 -3.903 1.785 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.698 -6.698 0.448 1.00 0.00 H new ATOM 0 HE2 MET A 109 5.164 -6.141 1.290 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.276 -7.560 1.894 1.00 0.00 H new ATOM 537 N THR A 110 6.262 -5.287 6.954 1.00 0.00 N ATOM 538 CA THR A 110 7.296 -5.853 7.864 1.00 0.00 C ATOM 539 C THR A 110 6.605 -6.625 8.989 1.00 0.00 C ATOM 540 O THR A 110 7.201 -7.460 9.641 1.00 0.00 O ATOM 541 CB THR A 110 8.132 -4.718 8.457 1.00 0.00 C ATOM 542 OG1 THR A 110 9.312 -5.257 9.040 1.00 0.00 O ATOM 543 CG2 THR A 110 7.317 -3.989 9.521 1.00 0.00 C ATOM 0 H THR A 110 5.831 -4.420 7.275 1.00 0.00 H new ATOM 0 HA THR A 110 7.948 -6.525 7.307 1.00 0.00 H new ATOM 0 HB THR A 110 8.407 -4.015 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.850 -4.531 9.419 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.912 -3.180 9.944 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.414 -3.578 9.069 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.041 -4.688 10.311 1.00 0.00 H new ATOM 551 N ASN A 111 5.348 -6.357 9.217 1.00 0.00 N ATOM 552 CA ASN A 111 4.613 -7.077 10.294 1.00 0.00 C ATOM 553 C ASN A 111 3.992 -8.350 9.713 1.00 0.00 C ATOM 554 O ASN A 111 2.951 -8.797 10.150 1.00 0.00 O ATOM 555 CB ASN A 111 3.507 -6.174 10.846 1.00 0.00 C ATOM 556 CG ASN A 111 4.113 -5.150 11.809 1.00 0.00 C ATOM 557 OD1 ASN A 111 5.176 -4.618 11.558 1.00 0.00 O ATOM 558 ND2 ASN A 111 3.476 -4.847 12.907 1.00 0.00 N ATOM 0 H ASN A 111 4.798 -5.669 8.703 1.00 0.00 H new ATOM 0 HA ASN A 111 5.301 -7.339 11.098 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.999 -5.663 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.757 -6.774 11.362 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.871 -4.164 13.554 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.583 -5.293 13.118 1.00 0.00 H new ATOM 565 N LEU A 112 4.630 -8.934 8.731 1.00 0.00 N ATOM 566 CA LEU A 112 4.090 -10.179 8.112 1.00 0.00 C ATOM 567 C LEU A 112 4.726 -10.389 6.732 1.00 0.00 C ATOM 568 O LEU A 112 4.703 -11.476 6.191 1.00 0.00 O ATOM 569 CB LEU A 112 2.569 -10.066 7.950 1.00 0.00 C ATOM 570 CG LEU A 112 2.205 -8.679 7.418 1.00 0.00 C ATOM 571 CD1 LEU A 112 1.741 -8.797 5.965 1.00 0.00 C ATOM 572 CD2 LEU A 112 1.076 -8.088 8.267 1.00 0.00 C ATOM 0 H LEU A 112 5.506 -8.599 8.330 1.00 0.00 H new ATOM 0 HA LEU A 112 4.326 -11.024 8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.209 -10.834 7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.078 -10.238 8.908 1.00 0.00 H new ATOM 0 HG LEU A 112 3.078 -8.028 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.481 -7.809 5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.543 -9.219 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.867 -9.447 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.816 -7.099 7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.203 -8.738 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.405 -8.005 9.303 1.00 0.00 H new ATOM 584 N GLY A 113 5.285 -9.358 6.151 1.00 0.00 N ATOM 585 CA GLY A 113 5.905 -9.508 4.803 1.00 0.00 C ATOM 586 C GLY A 113 7.352 -9.996 4.929 1.00 0.00 C ATOM 587 O GLY A 113 8.147 -9.840 4.023 1.00 0.00 O ATOM 0 H GLY A 113 5.338 -8.422 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.327 -10.215 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.881 -8.554 4.277 1.00 0.00 H new ATOM 591 N GLU A 114 7.700 -10.592 6.036 1.00 0.00 N ATOM 592 CA GLU A 114 9.094 -11.096 6.205 1.00 0.00 C ATOM 593 C GLU A 114 10.086 -9.932 6.143 1.00 0.00 C ATOM 594 O GLU A 114 11.152 -10.050 5.577 1.00 0.00 O ATOM 595 CB GLU A 114 9.407 -12.097 5.092 1.00 0.00 C ATOM 596 CG GLU A 114 8.807 -13.457 5.449 1.00 0.00 C ATOM 597 CD GLU A 114 8.440 -14.206 4.168 1.00 0.00 C ATOM 598 OE1 GLU A 114 8.061 -13.552 3.210 1.00 0.00 O ATOM 599 OE2 GLU A 114 8.543 -15.422 4.164 1.00 0.00 O ATOM 0 H GLU A 114 7.081 -10.752 6.831 1.00 0.00 H new ATOM 0 HA GLU A 114 9.184 -11.584 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.998 -11.744 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.485 -12.186 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.521 -14.039 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.922 -13.324 6.071 1.00 0.00 H new ATOM 606 N LYS A 115 9.749 -8.824 6.747 1.00 0.00 N ATOM 607 CA LYS A 115 10.664 -7.650 6.759 1.00 0.00 C ATOM 608 C LYS A 115 11.167 -7.316 5.348 1.00 0.00 C ATOM 609 O LYS A 115 11.880 -8.077 4.727 1.00 0.00 O ATOM 610 CB LYS A 115 11.838 -7.973 7.673 1.00 0.00 C ATOM 611 CG LYS A 115 12.620 -6.695 7.976 1.00 0.00 C ATOM 612 CD LYS A 115 14.060 -7.054 8.348 1.00 0.00 C ATOM 613 CE LYS A 115 14.944 -6.972 7.102 1.00 0.00 C ATOM 614 NZ LYS A 115 15.662 -5.666 7.086 1.00 0.00 N ATOM 0 H LYS A 115 8.867 -8.683 7.239 1.00 0.00 H new ATOM 0 HA LYS A 115 10.124 -6.776 7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.478 -8.419 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.490 -8.706 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.611 -6.036 7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.147 -6.152 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.429 -6.373 9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.099 -8.059 8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.661 -7.793 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.335 -7.075 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.263 -5.611 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.970 -4.890 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.255 -5.585 7.937 1.00 0.00 H new ATOM 628 N LEU A 116 10.809 -6.165 4.847 1.00 0.00 N ATOM 629 CA LEU A 116 11.270 -5.762 3.487 1.00 0.00 C ATOM 630 C LEU A 116 12.525 -4.895 3.613 1.00 0.00 C ATOM 631 O LEU A 116 12.792 -4.322 4.650 1.00 0.00 O ATOM 632 CB LEU A 116 10.167 -4.958 2.794 1.00 0.00 C ATOM 633 CG LEU A 116 9.532 -5.802 1.691 1.00 0.00 C ATOM 634 CD1 LEU A 116 8.461 -6.709 2.297 1.00 0.00 C ATOM 635 CD2 LEU A 116 8.890 -4.878 0.653 1.00 0.00 C ATOM 0 H LEU A 116 10.216 -5.485 5.322 1.00 0.00 H new ATOM 0 HA LEU A 116 11.497 -6.652 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.410 -4.661 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.581 -4.042 2.372 1.00 0.00 H new ATOM 0 HG LEU A 116 10.297 -6.414 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.007 -7.312 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.917 -7.364 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.694 -6.098 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.436 -5.477 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.124 -4.269 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.653 -4.229 0.222 1.00 0.00 H new ATOM 647 N THR A 117 13.299 -4.793 2.565 1.00 0.00 N ATOM 648 CA THR A 117 14.535 -3.961 2.633 1.00 0.00 C ATOM 649 C THR A 117 14.229 -2.541 2.159 1.00 0.00 C ATOM 650 O THR A 117 13.092 -2.179 1.929 1.00 0.00 O ATOM 651 CB THR A 117 15.613 -4.562 1.727 1.00 0.00 C ATOM 652 OG1 THR A 117 15.270 -4.328 0.369 1.00 0.00 O ATOM 653 CG2 THR A 117 15.721 -6.065 1.975 1.00 0.00 C ATOM 0 H THR A 117 13.129 -5.248 1.668 1.00 0.00 H new ATOM 0 HA THR A 117 14.888 -3.938 3.664 1.00 0.00 H new ATOM 0 HB THR A 117 16.572 -4.094 1.949 1.00 0.00 H new ATOM 0 HG1 THR A 117 15.959 -4.710 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.490 -6.486 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.987 -6.244 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 117 14.764 -6.539 1.758 1.00 0.00 H new ATOM 661 N ASP A 118 15.244 -1.738 2.001 1.00 0.00 N ATOM 662 CA ASP A 118 15.031 -0.343 1.531 1.00 0.00 C ATOM 663 C ASP A 118 15.042 -0.325 0.004 1.00 0.00 C ATOM 664 O ASP A 118 14.176 0.246 -0.628 1.00 0.00 O ATOM 665 CB ASP A 118 16.156 0.542 2.055 1.00 0.00 C ATOM 666 CG ASP A 118 15.760 1.131 3.410 1.00 0.00 C ATOM 667 OD1 ASP A 118 15.331 0.371 4.261 1.00 0.00 O ATOM 668 OD2 ASP A 118 15.896 2.333 3.574 1.00 0.00 O ATOM 0 H ASP A 118 16.216 -1.990 2.178 1.00 0.00 H new ATOM 0 HA ASP A 118 14.074 0.029 1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.073 -0.039 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.362 1.343 1.345 1.00 0.00 H new ATOM 673 N GLU A 119 16.015 -0.955 -0.594 1.00 0.00 N ATOM 674 CA GLU A 119 16.078 -0.986 -2.081 1.00 0.00 C ATOM 675 C GLU A 119 14.950 -1.873 -2.604 1.00 0.00 C ATOM 676 O GLU A 119 14.636 -1.875 -3.779 1.00 0.00 O ATOM 677 CB GLU A 119 17.425 -1.556 -2.529 1.00 0.00 C ATOM 678 CG GLU A 119 18.244 -0.459 -3.214 1.00 0.00 C ATOM 679 CD GLU A 119 18.483 -0.840 -4.677 1.00 0.00 C ATOM 680 OE1 GLU A 119 17.652 -1.543 -5.229 1.00 0.00 O ATOM 681 OE2 GLU A 119 19.492 -0.422 -5.219 1.00 0.00 O ATOM 0 H GLU A 119 16.769 -1.449 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 119 15.970 0.025 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.970 -1.948 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.269 -2.389 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.717 0.493 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 119 19.197 -0.327 -2.701 1.00 0.00 H new ATOM 688 N GLU A 120 14.337 -2.627 -1.734 1.00 0.00 N ATOM 689 CA GLU A 120 13.228 -3.516 -2.162 1.00 0.00 C ATOM 690 C GLU A 120 11.898 -2.785 -1.973 1.00 0.00 C ATOM 691 O GLU A 120 11.022 -2.847 -2.811 1.00 0.00 O ATOM 692 CB GLU A 120 13.244 -4.785 -1.305 1.00 0.00 C ATOM 693 CG GLU A 120 11.981 -5.607 -1.569 1.00 0.00 C ATOM 694 CD GLU A 120 12.139 -6.378 -2.880 1.00 0.00 C ATOM 695 OE1 GLU A 120 13.265 -6.703 -3.222 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.132 -6.632 -3.520 1.00 0.00 O ATOM 0 H GLU A 120 14.560 -2.664 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 120 13.349 -3.784 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.129 -5.378 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.302 -4.521 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.807 -6.300 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.112 -4.951 -1.623 1.00 0.00 H new ATOM 703 N VAL A 121 11.743 -2.095 -0.877 1.00 0.00 N ATOM 704 CA VAL A 121 10.469 -1.359 -0.624 1.00 0.00 C ATOM 705 C VAL A 121 10.157 -0.438 -1.811 1.00 0.00 C ATOM 706 O VAL A 121 9.142 -0.574 -2.464 1.00 0.00 O ATOM 707 CB VAL A 121 10.614 -0.531 0.661 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.577 0.598 0.685 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.394 -1.442 1.871 1.00 0.00 C ATOM 0 H VAL A 121 12.445 -2.008 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 121 9.651 -2.070 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 121 11.613 -0.096 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.691 1.177 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.727 1.249 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.574 0.172 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.496 -0.861 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.394 -1.874 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.135 -2.241 1.864 1.00 0.00 H new ATOM 719 N ASP A 122 11.017 0.504 -2.089 1.00 0.00 N ATOM 720 CA ASP A 122 10.765 1.438 -3.226 1.00 0.00 C ATOM 721 C ASP A 122 10.367 0.648 -4.471 1.00 0.00 C ATOM 722 O ASP A 122 9.668 1.144 -5.329 1.00 0.00 O ATOM 723 CB ASP A 122 12.039 2.227 -3.519 1.00 0.00 C ATOM 724 CG ASP A 122 11.944 3.612 -2.875 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.146 3.767 -1.965 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.668 4.495 -3.305 1.00 0.00 O ATOM 0 H ASP A 122 11.884 0.668 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 122 9.957 2.119 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.907 1.693 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.179 2.324 -4.596 1.00 0.00 H new ATOM 731 N GLU A 123 10.811 -0.571 -4.584 1.00 0.00 N ATOM 732 CA GLU A 123 10.450 -1.382 -5.784 1.00 0.00 C ATOM 733 C GLU A 123 9.014 -1.893 -5.637 1.00 0.00 C ATOM 734 O GLU A 123 8.252 -1.915 -6.582 1.00 0.00 O ATOM 735 CB GLU A 123 11.411 -2.567 -5.909 1.00 0.00 C ATOM 736 CG GLU A 123 12.407 -2.299 -7.041 1.00 0.00 C ATOM 737 CD GLU A 123 13.832 -2.545 -6.541 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.139 -3.684 -6.228 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.591 -1.593 -6.483 1.00 0.00 O ATOM 0 H GLU A 123 11.406 -1.042 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 123 10.525 -0.765 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.943 -2.718 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.853 -3.482 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.192 -2.948 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.306 -1.272 -7.392 1.00 0.00 H new ATOM 746 N MET A 124 8.629 -2.297 -4.456 1.00 0.00 N ATOM 747 CA MET A 124 7.238 -2.789 -4.259 1.00 0.00 C ATOM 748 C MET A 124 6.276 -1.622 -4.462 1.00 0.00 C ATOM 749 O MET A 124 5.111 -1.801 -4.761 1.00 0.00 O ATOM 750 CB MET A 124 7.082 -3.346 -2.848 1.00 0.00 C ATOM 751 CG MET A 124 7.791 -4.698 -2.748 1.00 0.00 C ATOM 752 SD MET A 124 6.604 -6.028 -3.063 1.00 0.00 S ATOM 753 CE MET A 124 5.787 -5.991 -1.449 1.00 0.00 C ATOM 0 H MET A 124 9.217 -2.307 -3.622 1.00 0.00 H new ATOM 0 HA MET A 124 7.019 -3.581 -4.975 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.502 -2.649 -2.123 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.025 -3.459 -2.606 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.607 -4.747 -3.469 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.232 -4.817 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.016 -6.907 -0.904 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.143 -5.132 -0.881 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.709 -5.912 -1.589 1.00 0.00 H new ATOM 763 N ILE A 125 6.764 -0.425 -4.309 1.00 0.00 N ATOM 764 CA ILE A 125 5.909 0.770 -4.495 1.00 0.00 C ATOM 765 C ILE A 125 5.915 1.159 -5.972 1.00 0.00 C ATOM 766 O ILE A 125 4.916 1.575 -6.527 1.00 0.00 O ATOM 767 CB ILE A 125 6.474 1.923 -3.668 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.231 1.639 -2.177 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.780 3.226 -4.076 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.247 2.946 -1.374 1.00 0.00 C ATOM 0 H ILE A 125 7.733 -0.225 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 125 4.890 0.553 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 125 7.545 2.020 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.272 1.137 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.998 0.963 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.181 4.051 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.956 3.416 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.708 3.139 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.073 2.728 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.216 3.432 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.463 3.608 -1.741 1.00 0.00 H new ATOM 782 N ARG A 126 7.045 1.035 -6.604 1.00 0.00 N ATOM 783 CA ARG A 126 7.155 1.401 -8.044 1.00 0.00 C ATOM 784 C ARG A 126 6.121 0.624 -8.864 1.00 0.00 C ATOM 785 O ARG A 126 5.742 1.028 -9.945 1.00 0.00 O ATOM 786 CB ARG A 126 8.581 1.096 -8.543 1.00 0.00 C ATOM 787 CG ARG A 126 8.752 -0.395 -8.871 1.00 0.00 C ATOM 788 CD ARG A 126 9.581 -0.537 -10.150 1.00 0.00 C ATOM 789 NE ARG A 126 8.676 -0.776 -11.309 1.00 0.00 N ATOM 790 CZ ARG A 126 8.917 -1.758 -12.136 1.00 0.00 C ATOM 791 NH1 ARG A 126 8.793 -2.993 -11.735 1.00 0.00 N ATOM 792 NH2 ARG A 126 9.286 -1.503 -13.362 1.00 0.00 N ATOM 0 H ARG A 126 7.908 0.692 -6.181 1.00 0.00 H new ATOM 0 HA ARG A 126 6.958 2.466 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.793 1.692 -9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.305 1.388 -7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.245 -0.907 -8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.777 -0.865 -9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.170 0.365 -10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.285 -1.363 -10.049 1.00 0.00 H new ATOM 0 HE ARG A 126 7.867 -0.172 -11.457 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.508 -3.192 -10.776 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.981 -3.760 -12.380 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.386 -0.537 -13.674 1.00 0.00 H new ATOM 0 HH22 ARG A 126 9.474 -2.270 -14.008 1.00 0.00 H new ATOM 806 N GLU A 127 5.662 -0.491 -8.361 1.00 0.00 N ATOM 807 CA GLU A 127 4.657 -1.291 -9.116 1.00 0.00 C ATOM 808 C GLU A 127 3.246 -0.848 -8.727 1.00 0.00 C ATOM 809 O GLU A 127 2.338 -0.849 -9.535 1.00 0.00 O ATOM 810 CB GLU A 127 4.833 -2.772 -8.784 1.00 0.00 C ATOM 811 CG GLU A 127 6.315 -3.141 -8.871 1.00 0.00 C ATOM 812 CD GLU A 127 6.459 -4.513 -9.529 1.00 0.00 C ATOM 813 OE1 GLU A 127 6.242 -5.500 -8.847 1.00 0.00 O ATOM 814 OE2 GLU A 127 6.785 -4.554 -10.704 1.00 0.00 O ATOM 0 H GLU A 127 5.940 -0.881 -7.461 1.00 0.00 H new ATOM 0 HA GLU A 127 4.802 -1.135 -10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.454 -2.979 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.254 -3.382 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.855 -2.390 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.757 -3.155 -7.875 1.00 0.00 H new ATOM 821 N ALA A 128 3.051 -0.477 -7.492 1.00 0.00 N ATOM 822 CA ALA A 128 1.698 -0.042 -7.048 1.00 0.00 C ATOM 823 C ALA A 128 1.413 1.374 -7.555 1.00 0.00 C ATOM 824 O ALA A 128 0.292 1.841 -7.520 1.00 0.00 O ATOM 825 CB ALA A 128 1.643 -0.052 -5.520 1.00 0.00 C ATOM 0 H ALA A 128 3.772 -0.456 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 128 0.950 -0.725 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.654 0.266 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.841 -1.060 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.395 0.631 -5.124 1.00 0.00 H new ATOM 831 N ASP A 129 2.417 2.063 -8.021 1.00 0.00 N ATOM 832 CA ASP A 129 2.196 3.448 -8.522 1.00 0.00 C ATOM 833 C ASP A 129 1.978 3.420 -10.035 1.00 0.00 C ATOM 834 O ASP A 129 2.599 2.656 -10.748 1.00 0.00 O ATOM 835 CB ASP A 129 3.421 4.308 -8.203 1.00 0.00 C ATOM 836 CG ASP A 129 3.670 4.301 -6.694 1.00 0.00 C ATOM 837 OD1 ASP A 129 3.036 3.513 -6.012 1.00 0.00 O ATOM 838 OD2 ASP A 129 4.491 5.084 -6.245 1.00 0.00 O ATOM 0 H ASP A 129 3.379 1.728 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 129 1.316 3.870 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.295 3.924 -8.728 1.00 0.00 H new ATOM 0 HB3 ASP A 129 3.263 5.329 -8.552 1.00 0.00 H new ATOM 843 N ILE A 130 1.101 4.247 -10.530 1.00 0.00 N ATOM 844 CA ILE A 130 0.844 4.273 -11.993 1.00 0.00 C ATOM 845 C ILE A 130 1.799 5.262 -12.653 1.00 0.00 C ATOM 846 O ILE A 130 2.284 5.045 -13.746 1.00 0.00 O ATOM 847 CB ILE A 130 -0.595 4.716 -12.246 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.551 3.733 -11.570 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.865 4.745 -13.752 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.951 4.347 -11.497 1.00 0.00 C ATOM 0 H ILE A 130 0.550 4.907 -9.981 1.00 0.00 H new ATOM 0 HA ILE A 130 0.999 3.278 -12.410 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.749 5.714 -11.835 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.582 2.798 -12.129 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.195 3.494 -10.568 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.893 5.061 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.181 5.445 -14.231 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.714 3.749 -14.168 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -3.631 3.645 -11.015 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.914 5.271 -10.920 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -3.307 4.563 -12.504 1.00 0.00 H new ATOM 862 N ASP A 131 2.071 6.349 -11.992 1.00 0.00 N ATOM 863 CA ASP A 131 2.993 7.364 -12.568 1.00 0.00 C ATOM 864 C ASP A 131 4.439 6.941 -12.312 1.00 0.00 C ATOM 865 O ASP A 131 5.302 7.106 -13.153 1.00 0.00 O ATOM 866 CB ASP A 131 2.733 8.719 -11.910 1.00 0.00 C ATOM 867 CG ASP A 131 1.911 9.596 -12.857 1.00 0.00 C ATOM 868 OD1 ASP A 131 0.714 9.380 -12.945 1.00 0.00 O ATOM 869 OD2 ASP A 131 2.494 10.469 -13.479 1.00 0.00 O ATOM 0 H ASP A 131 1.693 6.580 -11.073 1.00 0.00 H new ATOM 0 HA ASP A 131 2.823 7.443 -13.642 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.200 8.582 -10.969 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.678 9.208 -11.673 1.00 0.00 H new ATOM 874 N GLY A 132 4.717 6.400 -11.158 1.00 0.00 N ATOM 875 CA GLY A 132 6.111 5.974 -10.857 1.00 0.00 C ATOM 876 C GLY A 132 6.860 7.133 -10.203 1.00 0.00 C ATOM 877 O GLY A 132 8.060 7.268 -10.338 1.00 0.00 O ATOM 0 H GLY A 132 4.040 6.235 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.104 5.109 -10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.617 5.669 -11.773 1.00 0.00 H new ATOM 881 N ASP A 133 6.158 7.971 -9.491 1.00 0.00 N ATOM 882 CA ASP A 133 6.827 9.124 -8.825 1.00 0.00 C ATOM 883 C ASP A 133 7.510 8.637 -7.553 1.00 0.00 C ATOM 884 O ASP A 133 8.470 9.213 -7.083 1.00 0.00 O ATOM 885 CB ASP A 133 5.794 10.187 -8.468 1.00 0.00 C ATOM 886 CG ASP A 133 4.525 9.518 -7.931 1.00 0.00 C ATOM 887 OD1 ASP A 133 3.684 9.155 -8.737 1.00 0.00 O ATOM 888 OD2 ASP A 133 4.415 9.383 -6.723 1.00 0.00 O ATOM 0 H ASP A 133 5.151 7.907 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 133 7.565 9.555 -9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.202 10.867 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 133 5.556 10.786 -9.347 1.00 0.00 H new ATOM 893 N GLY A 134 7.020 7.571 -7.003 1.00 0.00 N ATOM 894 CA GLY A 134 7.637 7.020 -5.762 1.00 0.00 C ATOM 895 C GLY A 134 6.632 7.057 -4.607 1.00 0.00 C ATOM 896 O GLY A 134 6.963 6.745 -3.481 1.00 0.00 O ATOM 0 H GLY A 134 6.216 7.051 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.965 5.995 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.523 7.598 -5.501 1.00 0.00 H new ATOM 900 N GLN A 135 5.409 7.427 -4.867 1.00 0.00 N ATOM 901 CA GLN A 135 4.403 7.469 -3.767 1.00 0.00 C ATOM 902 C GLN A 135 3.146 6.704 -4.196 1.00 0.00 C ATOM 903 O GLN A 135 2.882 6.535 -5.370 1.00 0.00 O ATOM 904 CB GLN A 135 4.058 8.935 -3.435 1.00 0.00 C ATOM 905 CG GLN A 135 2.862 9.414 -4.268 1.00 0.00 C ATOM 906 CD GLN A 135 3.100 10.854 -4.726 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.197 11.366 -4.612 1.00 0.00 O ATOM 908 NE2 GLN A 135 2.114 11.533 -5.242 1.00 0.00 N ATOM 0 H GLN A 135 5.063 7.701 -5.787 1.00 0.00 H new ATOM 0 HA GLN A 135 4.814 6.998 -2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.829 9.028 -2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.922 9.570 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.725 8.765 -5.133 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.948 9.356 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.194 11.103 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 135 2.263 12.494 -5.550 1.00 0.00 H new ATOM 917 N VAL A 136 2.364 6.253 -3.257 1.00 0.00 N ATOM 918 CA VAL A 136 1.126 5.517 -3.615 1.00 0.00 C ATOM 919 C VAL A 136 -0.078 6.320 -3.124 1.00 0.00 C ATOM 920 O VAL A 136 0.055 7.224 -2.328 1.00 0.00 O ATOM 921 CB VAL A 136 1.139 4.140 -2.946 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.209 3.450 -3.160 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.250 3.289 -3.564 1.00 0.00 C ATOM 0 H VAL A 136 2.531 6.363 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 136 1.067 5.385 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 136 1.317 4.258 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.196 2.470 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.002 4.057 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.391 3.331 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.263 2.307 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.068 3.174 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.212 3.779 -3.410 1.00 0.00 H new ATOM 933 N ASN A 137 -1.251 6.004 -3.586 1.00 0.00 N ATOM 934 CA ASN A 137 -2.449 6.756 -3.122 1.00 0.00 C ATOM 935 C ASN A 137 -3.599 5.777 -2.957 1.00 0.00 C ATOM 936 O ASN A 137 -3.408 4.580 -2.924 1.00 0.00 O ATOM 937 CB ASN A 137 -2.866 7.828 -4.135 1.00 0.00 C ATOM 938 CG ASN A 137 -1.653 8.397 -4.870 1.00 0.00 C ATOM 939 OD1 ASN A 137 -0.707 7.696 -5.168 1.00 0.00 O ATOM 940 ND2 ASN A 137 -1.654 9.656 -5.193 1.00 0.00 N ATOM 0 H ASN A 137 -1.434 5.262 -4.261 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.205 7.247 -2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.563 7.400 -4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.393 8.632 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.861 10.054 -5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.448 10.246 -4.943 1.00 0.00 H new ATOM 947 N TYR A 138 -4.797 6.268 -2.866 1.00 0.00 N ATOM 948 CA TYR A 138 -5.949 5.351 -2.715 1.00 0.00 C ATOM 949 C TYR A 138 -6.341 4.807 -4.088 1.00 0.00 C ATOM 950 O TYR A 138 -6.625 3.637 -4.245 1.00 0.00 O ATOM 951 CB TYR A 138 -7.124 6.104 -2.107 1.00 0.00 C ATOM 952 CG TYR A 138 -8.276 5.149 -1.940 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.162 4.086 -1.043 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.447 5.317 -2.685 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.219 3.183 -0.887 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.508 4.417 -2.529 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.394 3.350 -1.628 1.00 0.00 C ATOM 958 OH TYR A 138 -11.439 2.461 -1.475 1.00 0.00 O ATOM 0 H TYR A 138 -5.027 7.261 -2.890 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.676 4.524 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.843 6.529 -1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.413 6.936 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.256 3.960 -0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.533 6.140 -3.380 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.128 2.358 -0.196 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.414 4.545 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.179 2.722 -2.062 1.00 0.00 H new ATOM 968 N GLU A 139 -6.352 5.648 -5.084 1.00 0.00 N ATOM 969 CA GLU A 139 -6.718 5.184 -6.448 1.00 0.00 C ATOM 970 C GLU A 139 -5.624 4.253 -6.973 1.00 0.00 C ATOM 971 O GLU A 139 -5.879 3.353 -7.749 1.00 0.00 O ATOM 972 CB GLU A 139 -6.854 6.393 -7.376 1.00 0.00 C ATOM 973 CG GLU A 139 -7.217 5.926 -8.787 1.00 0.00 C ATOM 974 CD GLU A 139 -7.605 7.135 -9.638 1.00 0.00 C ATOM 975 OE1 GLU A 139 -8.651 7.707 -9.377 1.00 0.00 O ATOM 976 OE2 GLU A 139 -6.851 7.471 -10.536 1.00 0.00 O ATOM 0 H GLU A 139 -6.122 6.639 -5.010 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.666 4.648 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.622 7.068 -6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.919 6.953 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.372 5.406 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.043 5.216 -8.746 1.00 0.00 H new ATOM 983 N GLU A 140 -4.408 4.454 -6.544 1.00 0.00 N ATOM 984 CA GLU A 140 -3.301 3.574 -7.004 1.00 0.00 C ATOM 985 C GLU A 140 -3.245 2.347 -6.095 1.00 0.00 C ATOM 986 O GLU A 140 -2.930 1.253 -6.518 1.00 0.00 O ATOM 987 CB GLU A 140 -1.974 4.334 -6.923 1.00 0.00 C ATOM 988 CG GLU A 140 -2.194 5.798 -7.308 1.00 0.00 C ATOM 989 CD GLU A 140 -2.762 5.877 -8.727 1.00 0.00 C ATOM 990 OE1 GLU A 140 -3.865 5.397 -8.929 1.00 0.00 O ATOM 991 OE2 GLU A 140 -2.084 6.416 -9.587 1.00 0.00 O ATOM 0 H GLU A 140 -4.135 5.191 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.472 3.267 -8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.569 4.270 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.242 3.879 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.880 6.270 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.253 6.345 -7.251 1.00 0.00 H new ATOM 998 N PHE A 141 -3.559 2.530 -4.843 1.00 0.00 N ATOM 999 CA PHE A 141 -3.543 1.394 -3.885 1.00 0.00 C ATOM 1000 C PHE A 141 -4.710 0.455 -4.195 1.00 0.00 C ATOM 1001 O PHE A 141 -4.682 -0.713 -3.873 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.696 1.950 -2.472 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.920 0.825 -1.495 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -2.827 0.145 -0.948 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.223 0.476 -1.121 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -3.035 -0.886 -0.027 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.433 -0.556 -0.201 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.338 -1.237 0.348 1.00 0.00 C ATOM 0 H PHE A 141 -3.828 3.428 -4.440 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.607 0.842 -3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.803 2.511 -2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.534 2.646 -2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.822 0.416 -1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.066 1.004 -1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.191 -1.412 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.438 -0.828 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.499 -2.033 1.060 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.738 0.967 -4.812 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.920 0.119 -5.145 1.00 0.00 C ATOM 1020 C VAL A 142 -6.527 -0.947 -6.178 1.00 0.00 C ATOM 1021 O VAL A 142 -6.789 -2.119 -6.000 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.031 1.025 -5.708 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.013 0.226 -6.576 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.798 1.654 -4.542 1.00 0.00 C ATOM 0 H VAL A 142 -5.812 1.942 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.279 -0.389 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.569 1.794 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -9.786 0.893 -6.959 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -8.477 -0.225 -7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.475 -0.558 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.587 2.298 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.240 0.867 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.114 2.246 -3.934 1.00 0.00 H new ATOM 1034 N GLN A 143 -5.920 -0.549 -7.262 1.00 0.00 N ATOM 1035 CA GLN A 143 -5.538 -1.541 -8.309 1.00 0.00 C ATOM 1036 C GLN A 143 -4.584 -2.594 -7.734 1.00 0.00 C ATOM 1037 O GLN A 143 -4.503 -3.701 -8.230 1.00 0.00 O ATOM 1038 CB GLN A 143 -4.848 -0.821 -9.468 1.00 0.00 C ATOM 1039 CG GLN A 143 -5.830 0.149 -10.128 1.00 0.00 C ATOM 1040 CD GLN A 143 -5.461 0.317 -11.603 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -4.333 0.638 -11.925 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -6.367 0.113 -12.519 1.00 0.00 N ATOM 0 H GLN A 143 -5.672 0.418 -7.469 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.442 -2.037 -8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.975 -0.279 -9.104 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -4.491 -1.546 -10.199 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -6.848 -0.229 -10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -5.801 1.114 -9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -7.313 -0.156 -12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -6.129 0.223 -13.505 1.00 0.00 H new ATOM 1051 N MET A 144 -3.846 -2.264 -6.710 1.00 0.00 N ATOM 1052 CA MET A 144 -2.891 -3.258 -6.139 1.00 0.00 C ATOM 1053 C MET A 144 -3.564 -4.089 -5.043 1.00 0.00 C ATOM 1054 O MET A 144 -3.195 -5.222 -4.802 1.00 0.00 O ATOM 1055 CB MET A 144 -1.685 -2.522 -5.553 1.00 0.00 C ATOM 1056 CG MET A 144 -0.417 -3.336 -5.811 1.00 0.00 C ATOM 1057 SD MET A 144 -0.023 -4.319 -4.343 1.00 0.00 S ATOM 1058 CE MET A 144 0.881 -5.636 -5.193 1.00 0.00 C ATOM 0 H MET A 144 -3.862 -1.356 -6.246 1.00 0.00 H new ATOM 0 HA MET A 144 -2.568 -3.930 -6.934 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.594 -1.534 -6.004 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.822 -2.372 -4.482 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.560 -3.989 -6.672 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.413 -2.671 -6.050 1.00 0.00 H new ATOM 0 HE1 MET A 144 1.224 -6.370 -4.464 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.224 -6.121 -5.915 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.740 -5.211 -5.712 1.00 0.00 H new ATOM 1068 N MET A 145 -4.536 -3.543 -4.371 1.00 0.00 N ATOM 1069 CA MET A 145 -5.212 -4.304 -3.295 1.00 0.00 C ATOM 1070 C MET A 145 -6.560 -4.823 -3.796 1.00 0.00 C ATOM 1071 O MET A 145 -6.798 -6.012 -3.854 1.00 0.00 O ATOM 1072 CB MET A 145 -5.434 -3.385 -2.095 1.00 0.00 C ATOM 1073 CG MET A 145 -5.420 -4.213 -0.808 1.00 0.00 C ATOM 1074 SD MET A 145 -3.731 -4.298 -0.163 1.00 0.00 S ATOM 1075 CE MET A 145 -3.579 -6.101 -0.157 1.00 0.00 C ATOM 0 H MET A 145 -4.890 -2.599 -4.523 1.00 0.00 H new ATOM 0 HA MET A 145 -4.590 -5.150 -3.002 1.00 0.00 H new ATOM 0 HB2 MET A 145 -4.655 -2.623 -2.058 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.386 -2.864 -2.194 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.081 -3.764 -0.067 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.796 -5.217 -1.005 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.593 -6.382 0.213 1.00 0.00 H new ATOM 0 HE2 MET A 145 -4.345 -6.529 0.490 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.708 -6.480 -1.171 1.00 0.00 H new ATOM 1085 N THR A 146 -7.442 -3.935 -4.153 1.00 0.00 N ATOM 1086 CA THR A 146 -8.779 -4.365 -4.643 1.00 0.00 C ATOM 1087 C THR A 146 -8.621 -5.497 -5.660 1.00 0.00 C ATOM 1088 O THR A 146 -9.396 -6.431 -5.687 1.00 0.00 O ATOM 1089 CB THR A 146 -9.480 -3.179 -5.303 1.00 0.00 C ATOM 1090 OG1 THR A 146 -8.844 -1.974 -4.901 1.00 0.00 O ATOM 1091 CG2 THR A 146 -10.943 -3.154 -4.869 1.00 0.00 C ATOM 0 H THR A 146 -7.294 -2.926 -4.127 1.00 0.00 H new ATOM 0 HA THR A 146 -9.374 -4.722 -3.802 1.00 0.00 H new ATOM 0 HB THR A 146 -9.424 -3.275 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 146 -9.518 -1.342 -4.573 1.00 0.00 H new ATOM 0 HG21 THR A 146 -11.447 -2.309 -5.338 1.00 0.00 H new ATOM 0 HG22 THR A 146 -11.429 -4.081 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 146 -10.999 -3.054 -3.785 1.00 0.00 H new ATOM 1099 N ALA A 147 -7.623 -5.424 -6.497 1.00 0.00 N ATOM 1100 CA ALA A 147 -7.424 -6.501 -7.508 1.00 0.00 C ATOM 1101 C ALA A 147 -6.374 -7.489 -6.998 1.00 0.00 C ATOM 1102 O ALA A 147 -5.527 -7.152 -6.195 1.00 0.00 O ATOM 1103 CB ALA A 147 -6.951 -5.887 -8.828 1.00 0.00 C ATOM 0 H ALA A 147 -6.939 -4.668 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 147 -8.367 -7.023 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -6.806 -6.677 -9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -7.701 -5.184 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -6.009 -5.363 -8.668 1.00 0.00 H new ATOM 1109 N LYS A 148 -6.423 -8.708 -7.458 1.00 0.00 N ATOM 1110 CA LYS A 148 -5.427 -9.717 -6.998 1.00 0.00 C ATOM 1111 C LYS A 148 -4.346 -9.891 -8.068 1.00 0.00 C ATOM 1112 O LYS A 148 -4.600 -9.523 -9.204 1.00 0.00 O ATOM 1113 CB LYS A 148 -6.131 -11.055 -6.759 1.00 0.00 C ATOM 1114 CG LYS A 148 -7.363 -10.831 -5.881 1.00 0.00 C ATOM 1115 CD LYS A 148 -8.578 -11.506 -6.521 1.00 0.00 C ATOM 1116 CE LYS A 148 -9.841 -10.712 -6.186 1.00 0.00 C ATOM 1117 NZ LYS A 148 -10.137 -9.761 -7.293 1.00 0.00 N ATOM 1118 OXT LYS A 148 -3.284 -10.387 -7.732 1.00 0.00 O ATOM 0 H LYS A 148 -7.108 -9.049 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 148 -4.967 -9.378 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.425 -11.499 -7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -5.450 -11.756 -6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -7.191 -11.238 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -7.548 -9.763 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -8.448 -11.563 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -8.672 -12.529 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -10.682 -11.390 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -9.704 -10.168 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -10.996 -9.220 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -9.337 -9.107 -7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -10.285 -10.291 -8.176 1.00 0.00 H new TER 1132 LYS A 148