USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 711 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 25 MET CE :methyl -108:sc= -3.1 (180deg=-1.98!) USER MOD Set 1.2: A 45 MET CE :methyl -147:sc= -5.23 (180deg=-7.99!) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 51 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 16 ASN : amide:sc= -1.13 K(o=-1.9,f=-2.7) USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= -0.017 USER MOD Set 3.3: A 55 THR OG1 : rot -170:sc= -0.78 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0362 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.124 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -160:sc= -0.195 USER MOD Single : A 50 ASN : amide:sc= -0.0779 K(o=-0.078,f=-1.1) USER MOD Single : A 56 TYR OH : rot 141:sc= -0.17! USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0344) USER MOD Single : A 59 MET CE :methyl -138:sc= -2.9! (180deg=-6.18!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.5!) USER MOD Single : A 70 ASN : amide:sc= -0.472 K(o=-0.47,f=-1.3) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 76 SER OG : rot -52:sc= 0.123 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -7.04! C(o=-7!,f=-13!) USER MOD Single : A 89 MET CE :methyl 164:sc=-0.00494 (180deg=-0.196) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.00123 USER MOD Single : A 96 SER OG : rot 45:sc= 0.256 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.887 23.093 -2.636 1.00 0.00 N ATOM 2 CA GLY A 1 -27.653 23.778 -2.298 1.00 0.00 C ATOM 3 C GLY A 1 -27.180 23.460 -0.893 1.00 0.00 C ATOM 4 O GLY A 1 -27.977 23.091 -0.031 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.702 22.392 -3.382 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.259 22.611 -1.793 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.586 23.784 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.878 23.497 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.800 24.854 -2.394 1.00 0.00 H new ATOM 8 N SER A 2 -25.878 23.601 -0.663 1.00 0.00 N ATOM 9 CA SER A 2 -25.298 23.321 0.645 1.00 0.00 C ATOM 10 C SER A 2 -24.107 24.234 0.918 1.00 0.00 C ATOM 11 O SER A 2 -23.451 24.710 -0.008 1.00 0.00 O ATOM 12 CB SER A 2 -24.864 21.856 0.731 1.00 0.00 C ATOM 13 OG SER A 2 -25.987 20.994 0.791 1.00 0.00 O ATOM 0 H SER A 2 -25.205 23.907 -1.366 1.00 0.00 H new ATOM 0 HA SER A 2 -26.060 23.511 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.253 21.603 -0.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.241 21.709 1.614 1.00 0.00 H new ATOM 0 HG SER A 2 -25.683 20.064 0.844 1.00 0.00 H new ATOM 19 N SER A 3 -23.833 24.472 2.197 1.00 0.00 N ATOM 20 CA SER A 3 -22.723 25.331 2.594 1.00 0.00 C ATOM 21 C SER A 3 -21.507 24.499 2.987 1.00 0.00 C ATOM 22 O SER A 3 -21.585 23.276 3.093 1.00 0.00 O ATOM 23 CB SER A 3 -23.138 26.231 3.759 1.00 0.00 C ATOM 24 OG SER A 3 -22.142 27.201 4.034 1.00 0.00 O ATOM 0 H SER A 3 -24.364 24.082 2.976 1.00 0.00 H new ATOM 0 HA SER A 3 -22.455 25.954 1.741 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.078 26.728 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.314 25.624 4.647 1.00 0.00 H new ATOM 0 HG SER A 3 -22.432 27.765 4.781 1.00 0.00 H new ATOM 30 N GLY A 4 -20.381 25.173 3.203 1.00 0.00 N ATOM 31 CA GLY A 4 -19.163 24.481 3.583 1.00 0.00 C ATOM 32 C GLY A 4 -18.952 24.460 5.084 1.00 0.00 C ATOM 33 O GLY A 4 -19.015 25.499 5.741 1.00 0.00 O ATOM 0 H GLY A 4 -20.291 26.186 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.199 23.457 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.310 24.964 3.106 1.00 0.00 H new ATOM 37 N SER A 5 -18.702 23.273 5.628 1.00 0.00 N ATOM 38 CA SER A 5 -18.487 23.120 7.062 1.00 0.00 C ATOM 39 C SER A 5 -16.998 23.156 7.395 1.00 0.00 C ATOM 40 O SER A 5 -16.186 22.519 6.724 1.00 0.00 O ATOM 41 CB SER A 5 -19.099 21.807 7.554 1.00 0.00 C ATOM 42 OG SER A 5 -19.525 21.916 8.902 1.00 0.00 O ATOM 0 H SER A 5 -18.643 22.404 5.097 1.00 0.00 H new ATOM 0 HA SER A 5 -18.975 23.953 7.568 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.946 21.538 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.367 21.005 7.465 1.00 0.00 H new ATOM 0 HG SER A 5 -19.914 21.065 9.192 1.00 0.00 H new ATOM 48 N SER A 6 -16.649 23.906 8.435 1.00 0.00 N ATOM 49 CA SER A 6 -15.258 24.029 8.855 1.00 0.00 C ATOM 50 C SER A 6 -14.561 22.672 8.834 1.00 0.00 C ATOM 51 O SER A 6 -15.176 21.642 9.106 1.00 0.00 O ATOM 52 CB SER A 6 -15.179 24.634 10.259 1.00 0.00 C ATOM 53 OG SER A 6 -15.527 26.007 10.243 1.00 0.00 O ATOM 0 H SER A 6 -17.310 24.437 9.002 1.00 0.00 H new ATOM 0 HA SER A 6 -14.750 24.689 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.848 24.094 10.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.170 24.516 10.653 1.00 0.00 H new ATOM 0 HG SER A 6 -15.470 26.369 11.152 1.00 0.00 H new ATOM 59 N GLY A 7 -13.273 22.680 8.508 1.00 0.00 N ATOM 60 CA GLY A 7 -12.513 21.445 8.456 1.00 0.00 C ATOM 61 C GLY A 7 -11.032 21.684 8.238 1.00 0.00 C ATOM 62 O GLY A 7 -10.501 22.725 8.625 1.00 0.00 O ATOM 0 H GLY A 7 -12.742 23.520 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.656 20.895 9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.899 20.818 7.652 1.00 0.00 H new ATOM 66 N GLU A 8 -10.363 20.717 7.618 1.00 0.00 N ATOM 67 CA GLU A 8 -8.933 20.827 7.352 1.00 0.00 C ATOM 68 C GLU A 8 -8.619 20.459 5.905 1.00 0.00 C ATOM 69 O GLU A 8 -9.221 19.546 5.341 1.00 0.00 O ATOM 70 CB GLU A 8 -8.144 19.924 8.302 1.00 0.00 C ATOM 71 CG GLU A 8 -6.662 19.846 7.977 1.00 0.00 C ATOM 72 CD GLU A 8 -6.005 18.602 8.543 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.723 17.611 8.789 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.772 18.620 8.741 1.00 0.00 O ATOM 0 H GLU A 8 -10.788 19.849 7.291 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.637 21.863 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.265 20.290 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.567 18.920 8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.530 19.862 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.160 20.729 8.372 1.00 0.00 H new ATOM 81 N ARG A 9 -7.672 21.178 5.310 1.00 0.00 N ATOM 82 CA ARG A 9 -7.279 20.929 3.929 1.00 0.00 C ATOM 83 C ARG A 9 -6.741 19.511 3.763 1.00 0.00 C ATOM 84 O ARG A 9 -5.701 19.162 4.322 1.00 0.00 O ATOM 85 CB ARG A 9 -6.221 21.942 3.487 1.00 0.00 C ATOM 86 CG ARG A 9 -6.802 23.275 3.043 1.00 0.00 C ATOM 87 CD ARG A 9 -5.711 24.236 2.597 1.00 0.00 C ATOM 88 NE ARG A 9 -6.254 25.375 1.861 1.00 0.00 N ATOM 89 CZ ARG A 9 -6.648 25.311 0.594 1.00 0.00 C ATOM 90 NH1 ARG A 9 -6.560 24.169 -0.074 1.00 0.00 N ATOM 91 NH2 ARG A 9 -7.131 26.391 -0.007 1.00 0.00 N ATOM 0 H ARG A 9 -7.163 21.937 5.763 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.163 21.039 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.528 22.114 4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.643 21.516 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.503 23.113 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.367 23.719 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.165 24.595 3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.995 23.706 1.969 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.335 26.268 2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.189 23.337 0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.863 24.123 -1.047 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.200 27.271 0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.433 26.341 -0.980 1.00 0.00 H new ATOM 105 N ARG A 10 -7.456 18.698 2.993 1.00 0.00 N ATOM 106 CA ARG A 10 -7.052 17.317 2.756 1.00 0.00 C ATOM 107 C ARG A 10 -5.589 17.245 2.327 1.00 0.00 C ATOM 108 O ARG A 10 -5.139 18.028 1.491 1.00 0.00 O ATOM 109 CB ARG A 10 -7.940 16.679 1.687 1.00 0.00 C ATOM 110 CG ARG A 10 -7.880 17.387 0.343 1.00 0.00 C ATOM 111 CD ARG A 10 -8.530 16.557 -0.753 1.00 0.00 C ATOM 112 NE ARG A 10 -9.970 16.790 -0.834 1.00 0.00 N ATOM 113 CZ ARG A 10 -10.860 16.157 -0.078 1.00 0.00 C ATOM 114 NH1 ARG A 10 -10.460 15.259 0.812 1.00 0.00 N ATOM 115 NH2 ARG A 10 -12.153 16.424 -0.210 1.00 0.00 N ATOM 0 H ARG A 10 -8.318 18.972 2.522 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.167 16.766 3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.643 15.639 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.971 16.673 2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.382 18.352 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.841 17.587 0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.069 16.797 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.344 15.499 -0.566 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.310 17.476 -1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.467 15.053 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.146 14.774 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.464 17.116 -0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.836 15.938 0.371 1.00 0.00 H new ATOM 129 N ALA A 11 -4.854 16.302 2.905 1.00 0.00 N ATOM 130 CA ALA A 11 -3.443 16.127 2.581 1.00 0.00 C ATOM 131 C ALA A 11 -3.269 15.548 1.181 1.00 0.00 C ATOM 132 O ALA A 11 -4.123 14.821 0.673 1.00 0.00 O ATOM 133 CB ALA A 11 -2.773 15.230 3.611 1.00 0.00 C ATOM 0 H ALA A 11 -5.212 15.647 3.600 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.966 17.107 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.720 15.108 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.858 15.684 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.260 14.255 3.616 1.00 0.00 H new ATOM 139 N PRO A 12 -2.139 15.879 0.540 1.00 0.00 N ATOM 140 CA PRO A 12 -1.826 15.403 -0.811 1.00 0.00 C ATOM 141 C PRO A 12 -1.524 13.909 -0.844 1.00 0.00 C ATOM 142 O PRO A 12 -1.188 13.311 0.179 1.00 0.00 O ATOM 143 CB PRO A 12 -0.582 16.209 -1.193 1.00 0.00 C ATOM 144 CG PRO A 12 0.052 16.564 0.108 1.00 0.00 C ATOM 145 CD PRO A 12 -1.077 16.742 1.084 1.00 0.00 C ATOM 0 HA PRO A 12 -2.664 15.538 -1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.094 15.623 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.847 17.101 -1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.732 15.779 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.639 17.478 0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.789 16.439 2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.396 17.783 1.144 1.00 0.00 H new ATOM 153 N ARG A 13 -1.645 13.311 -2.025 1.00 0.00 N ATOM 154 CA ARG A 13 -1.386 11.886 -2.190 1.00 0.00 C ATOM 155 C ARG A 13 -0.100 11.656 -2.979 1.00 0.00 C ATOM 156 O ARG A 13 -0.133 11.430 -4.189 1.00 0.00 O ATOM 157 CB ARG A 13 -2.560 11.211 -2.900 1.00 0.00 C ATOM 158 CG ARG A 13 -3.777 11.012 -2.011 1.00 0.00 C ATOM 159 CD ARG A 13 -4.715 9.959 -2.578 1.00 0.00 C ATOM 160 NE ARG A 13 -5.695 10.535 -3.495 1.00 0.00 N ATOM 161 CZ ARG A 13 -6.597 9.816 -4.153 1.00 0.00 C ATOM 162 NH1 ARG A 13 -6.644 8.500 -3.996 1.00 0.00 N ATOM 163 NH2 ARG A 13 -7.456 10.413 -4.971 1.00 0.00 N ATOM 0 H ARG A 13 -1.921 13.791 -2.881 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.269 11.446 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.846 11.812 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.236 10.242 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.455 10.714 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.310 11.957 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.134 9.199 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.234 9.458 -1.761 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.686 11.545 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.986 8.037 -3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.338 7.950 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.423 11.425 -5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.148 9.860 -5.476 1.00 0.00 H new ATOM 177 N LYS A 14 1.032 11.714 -2.286 1.00 0.00 N ATOM 178 CA LYS A 14 2.329 11.511 -2.920 1.00 0.00 C ATOM 179 C LYS A 14 3.350 10.988 -1.914 1.00 0.00 C ATOM 180 O LYS A 14 3.658 11.651 -0.925 1.00 0.00 O ATOM 181 CB LYS A 14 2.829 12.820 -3.535 1.00 0.00 C ATOM 182 CG LYS A 14 1.830 13.470 -4.478 1.00 0.00 C ATOM 183 CD LYS A 14 2.297 14.845 -4.923 1.00 0.00 C ATOM 184 CE LYS A 14 3.287 14.752 -6.074 1.00 0.00 C ATOM 185 NZ LYS A 14 3.582 16.088 -6.662 1.00 0.00 N ATOM 0 H LYS A 14 1.077 11.900 -1.284 1.00 0.00 H new ATOM 0 HA LYS A 14 2.208 10.768 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.068 13.520 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.755 12.627 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.685 12.834 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.863 13.556 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.437 15.441 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.761 15.362 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.213 14.298 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.885 14.096 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.260 15.981 -7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.703 16.510 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.989 16.706 -5.932 1.00 0.00 H new ATOM 199 N GLY A 15 3.872 9.793 -2.176 1.00 0.00 N ATOM 200 CA GLY A 15 4.854 9.202 -1.285 1.00 0.00 C ATOM 201 C GLY A 15 5.726 8.176 -1.982 1.00 0.00 C ATOM 202 O GLY A 15 5.494 7.840 -3.142 1.00 0.00 O ATOM 0 H GLY A 15 3.633 9.224 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.484 9.989 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.342 8.730 -0.447 1.00 0.00 H new ATOM 206 N ASN A 16 6.734 7.679 -1.273 1.00 0.00 N ATOM 207 CA ASN A 16 7.645 6.687 -1.832 1.00 0.00 C ATOM 208 C ASN A 16 7.417 5.319 -1.195 1.00 0.00 C ATOM 209 O ASN A 16 7.342 4.304 -1.888 1.00 0.00 O ATOM 210 CB ASN A 16 9.097 7.123 -1.624 1.00 0.00 C ATOM 211 CG ASN A 16 9.477 7.185 -0.157 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.983 8.030 0.589 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.361 6.286 0.263 1.00 0.00 N ATOM 0 H ASN A 16 6.941 7.947 -0.311 1.00 0.00 H new ATOM 0 HA ASN A 16 7.446 6.608 -2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.760 6.428 -2.139 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.248 8.103 -2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.656 6.278 1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.745 5.604 -0.391 1.00 0.00 H new ATOM 220 N THR A 17 7.307 5.300 0.130 1.00 0.00 N ATOM 221 CA THR A 17 7.088 4.058 0.860 1.00 0.00 C ATOM 222 C THR A 17 5.605 3.711 0.924 1.00 0.00 C ATOM 223 O THR A 17 4.747 4.590 0.826 1.00 0.00 O ATOM 224 CB THR A 17 7.646 4.143 2.293 1.00 0.00 C ATOM 225 OG1 THR A 17 8.945 4.746 2.279 1.00 0.00 O ATOM 226 CG2 THR A 17 7.730 2.762 2.925 1.00 0.00 C ATOM 0 H THR A 17 7.366 6.131 0.719 1.00 0.00 H new ATOM 0 HA THR A 17 7.618 3.275 0.317 1.00 0.00 H new ATOM 0 HB THR A 17 6.968 4.756 2.886 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.292 4.798 3.194 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.127 2.848 3.936 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.735 2.318 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.388 2.129 2.330 1.00 0.00 H new ATOM 234 N LEU A 18 5.309 2.427 1.089 1.00 0.00 N ATOM 235 CA LEU A 18 3.928 1.964 1.167 1.00 0.00 C ATOM 236 C LEU A 18 3.755 0.953 2.297 1.00 0.00 C ATOM 237 O LEU A 18 4.493 -0.029 2.383 1.00 0.00 O ATOM 238 CB LEU A 18 3.503 1.338 -0.162 1.00 0.00 C ATOM 239 CG LEU A 18 3.713 2.200 -1.407 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.784 1.330 -2.653 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.600 3.229 -1.537 1.00 0.00 C ATOM 0 H LEU A 18 6.007 1.688 1.171 1.00 0.00 H new ATOM 0 HA LEU A 18 3.294 2.826 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.052 0.405 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.446 1.080 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 18 4.660 2.729 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.934 1.961 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.616 0.632 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.853 0.773 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.766 3.834 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.640 2.719 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.595 3.873 -0.658 1.00 0.00 H new ATOM 253 N TYR A 19 2.775 1.200 3.159 1.00 0.00 N ATOM 254 CA TYR A 19 2.505 0.312 4.283 1.00 0.00 C ATOM 255 C TYR A 19 1.622 -0.857 3.855 1.00 0.00 C ATOM 256 O TYR A 19 0.428 -0.690 3.608 1.00 0.00 O ATOM 257 CB TYR A 19 1.833 1.083 5.420 1.00 0.00 C ATOM 258 CG TYR A 19 1.813 0.332 6.732 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.832 -0.615 6.998 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.775 0.570 7.706 1.00 0.00 C ATOM 261 CE1 TYR A 19 0.809 -1.302 8.196 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.761 -0.114 8.907 1.00 0.00 C ATOM 263 CZ TYR A 19 1.776 -1.049 9.147 1.00 0.00 C ATOM 264 OH TYR A 19 1.757 -1.733 10.341 1.00 0.00 O ATOM 0 H TYR A 19 2.155 2.008 3.101 1.00 0.00 H new ATOM 0 HA TYR A 19 3.457 -0.085 4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.352 2.031 5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.809 1.320 5.131 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.074 -0.817 6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.547 1.302 7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.038 -2.034 8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.517 0.083 9.653 1.00 0.00 H new ATOM 0 HH TYR A 19 2.507 -1.438 10.899 1.00 0.00 H new ATOM 274 N VAL A 20 2.220 -2.041 3.770 1.00 0.00 N ATOM 275 CA VAL A 20 1.489 -3.239 3.374 1.00 0.00 C ATOM 276 C VAL A 20 1.258 -4.161 4.566 1.00 0.00 C ATOM 277 O VAL A 20 2.115 -4.290 5.440 1.00 0.00 O ATOM 278 CB VAL A 20 2.239 -4.016 2.275 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.399 -5.183 1.779 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.610 -3.090 1.127 1.00 0.00 C ATOM 0 H VAL A 20 3.208 -2.196 3.970 1.00 0.00 H new ATOM 0 HA VAL A 20 0.527 -2.908 2.983 1.00 0.00 H new ATOM 0 HB VAL A 20 3.159 -4.416 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.945 -5.720 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.188 -5.858 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.461 -4.808 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.139 -3.655 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.704 -2.659 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.253 -2.291 1.497 1.00 0.00 H new ATOM 290 N TYR A 21 0.095 -4.802 4.594 1.00 0.00 N ATOM 291 CA TYR A 21 -0.251 -5.711 5.680 1.00 0.00 C ATOM 292 C TYR A 21 -0.949 -6.958 5.145 1.00 0.00 C ATOM 293 O TYR A 21 -1.840 -6.871 4.301 1.00 0.00 O ATOM 294 CB TYR A 21 -1.150 -5.007 6.697 1.00 0.00 C ATOM 295 CG TYR A 21 -2.046 -5.949 7.469 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.174 -6.505 6.878 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.765 -6.283 8.788 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.996 -7.367 7.579 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.580 -7.145 9.496 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.695 -7.683 8.887 1.00 0.00 C ATOM 301 OH TYR A 21 -4.511 -8.541 9.590 1.00 0.00 O ATOM 0 H TYR A 21 -0.624 -4.709 3.877 1.00 0.00 H new ATOM 0 HA TYR A 21 0.673 -6.016 6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.526 -4.455 7.400 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.768 -4.275 6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.412 -6.259 5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.894 -5.861 9.268 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.869 -7.791 7.105 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.346 -7.396 10.520 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.158 -8.660 10.496 1.00 0.00 H new ATOM 311 N GLY A 22 -0.536 -8.120 5.644 1.00 0.00 N ATOM 312 CA GLY A 22 -1.132 -9.368 5.206 1.00 0.00 C ATOM 313 C GLY A 22 -1.164 -10.412 6.305 1.00 0.00 C ATOM 314 O GLY A 22 -1.018 -10.087 7.483 1.00 0.00 O ATOM 0 H GLY A 22 0.200 -8.218 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.148 -9.180 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.571 -9.757 4.356 1.00 0.00 H new ATOM 318 N GLU A 23 -1.356 -11.670 5.919 1.00 0.00 N ATOM 319 CA GLU A 23 -1.410 -12.764 6.882 1.00 0.00 C ATOM 320 C GLU A 23 -0.582 -13.952 6.401 1.00 0.00 C ATOM 321 O GLU A 23 0.187 -14.537 7.165 1.00 0.00 O ATOM 322 CB GLU A 23 -2.858 -13.198 7.115 1.00 0.00 C ATOM 323 CG GLU A 23 -3.759 -12.075 7.602 1.00 0.00 C ATOM 324 CD GLU A 23 -5.124 -12.571 8.039 1.00 0.00 C ATOM 325 OE1 GLU A 23 -5.201 -13.684 8.599 1.00 0.00 O ATOM 326 OE2 GLU A 23 -6.116 -11.844 7.820 1.00 0.00 O ATOM 0 H GLU A 23 -1.477 -11.956 4.947 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.991 -12.407 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.262 -13.600 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.873 -14.007 7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.278 -11.564 8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.881 -11.341 6.806 1.00 0.00 H new ATOM 333 N ASP A 24 -0.746 -14.304 5.131 1.00 0.00 N ATOM 334 CA ASP A 24 -0.014 -15.422 4.547 1.00 0.00 C ATOM 335 C ASP A 24 0.790 -14.970 3.332 1.00 0.00 C ATOM 336 O ASP A 24 0.778 -15.623 2.289 1.00 0.00 O ATOM 337 CB ASP A 24 -0.980 -16.539 4.147 1.00 0.00 C ATOM 338 CG ASP A 24 -1.670 -17.163 5.344 1.00 0.00 C ATOM 339 OD1 ASP A 24 -1.087 -18.085 5.952 1.00 0.00 O ATOM 340 OD2 ASP A 24 -2.793 -16.729 5.674 1.00 0.00 O ATOM 0 H ASP A 24 -1.379 -13.832 4.486 1.00 0.00 H new ATOM 0 HA ASP A 24 0.678 -15.802 5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.731 -16.139 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.434 -17.310 3.603 1.00 0.00 H new ATOM 345 N MET A 25 1.488 -13.848 3.475 1.00 0.00 N ATOM 346 CA MET A 25 2.298 -13.309 2.389 1.00 0.00 C ATOM 347 C MET A 25 3.772 -13.266 2.780 1.00 0.00 C ATOM 348 O MET A 25 4.115 -12.927 3.913 1.00 0.00 O ATOM 349 CB MET A 25 1.817 -11.906 2.013 1.00 0.00 C ATOM 350 CG MET A 25 1.315 -11.097 3.199 1.00 0.00 C ATOM 351 SD MET A 25 1.576 -9.325 2.992 1.00 0.00 S ATOM 352 CE MET A 25 2.758 -9.003 4.299 1.00 0.00 C ATOM 0 H MET A 25 1.509 -13.295 4.332 1.00 0.00 H new ATOM 0 HA MET A 25 2.188 -13.966 1.526 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.635 -11.366 1.536 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.018 -11.990 1.277 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.252 -11.289 3.341 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.823 -11.432 4.103 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.271 -8.450 5.102 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.138 -9.948 4.687 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.586 -8.414 3.904 1.00 0.00 H new ATOM 362 N THR A 26 4.641 -13.612 1.835 1.00 0.00 N ATOM 363 CA THR A 26 6.077 -13.615 2.082 1.00 0.00 C ATOM 364 C THR A 26 6.777 -12.532 1.268 1.00 0.00 C ATOM 365 O THR A 26 6.288 -12.091 0.227 1.00 0.00 O ATOM 366 CB THR A 26 6.703 -14.981 1.743 1.00 0.00 C ATOM 367 OG1 THR A 26 6.497 -15.284 0.358 1.00 0.00 O ATOM 368 CG2 THR A 26 6.099 -16.081 2.603 1.00 0.00 C ATOM 0 H THR A 26 4.375 -13.894 0.892 1.00 0.00 H new ATOM 0 HA THR A 26 6.215 -13.414 3.144 1.00 0.00 H new ATOM 0 HB THR A 26 7.772 -14.927 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.899 -16.153 0.150 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.556 -17.036 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.282 -15.862 3.655 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.025 -16.133 2.425 1.00 0.00 H new ATOM 376 N PRO A 27 7.948 -12.093 1.750 1.00 0.00 N ATOM 377 CA PRO A 27 8.741 -11.056 1.081 1.00 0.00 C ATOM 378 C PRO A 27 8.904 -11.325 -0.412 1.00 0.00 C ATOM 379 O PRO A 27 8.666 -10.446 -1.241 1.00 0.00 O ATOM 380 CB PRO A 27 10.096 -11.133 1.789 1.00 0.00 C ATOM 381 CG PRO A 27 9.787 -11.685 3.138 1.00 0.00 C ATOM 382 CD PRO A 27 8.590 -12.573 2.985 1.00 0.00 C ATOM 0 HA PRO A 27 8.267 -10.076 1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.790 -11.776 1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.562 -10.150 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.636 -12.246 3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.583 -10.882 3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.878 -13.621 2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.920 -12.492 3.841 1.00 0.00 H new ATOM 390 N THR A 28 9.311 -12.545 -0.748 1.00 0.00 N ATOM 391 CA THR A 28 9.507 -12.928 -2.140 1.00 0.00 C ATOM 392 C THR A 28 8.222 -12.761 -2.943 1.00 0.00 C ATOM 393 O THR A 28 8.258 -12.486 -4.143 1.00 0.00 O ATOM 394 CB THR A 28 9.986 -14.387 -2.259 1.00 0.00 C ATOM 395 OG1 THR A 28 11.209 -14.562 -1.534 1.00 0.00 O ATOM 396 CG2 THR A 28 10.195 -14.772 -3.716 1.00 0.00 C ATOM 0 H THR A 28 9.511 -13.285 -0.075 1.00 0.00 H new ATOM 0 HA THR A 28 10.274 -12.267 -2.544 1.00 0.00 H new ATOM 0 HB THR A 28 9.217 -15.034 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.506 -15.493 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.533 -15.807 -3.774 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.256 -14.666 -4.259 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.946 -14.119 -4.161 1.00 0.00 H new ATOM 404 N LEU A 29 7.086 -12.927 -2.273 1.00 0.00 N ATOM 405 CA LEU A 29 5.788 -12.793 -2.924 1.00 0.00 C ATOM 406 C LEU A 29 5.527 -11.345 -3.327 1.00 0.00 C ATOM 407 O LEU A 29 5.206 -11.058 -4.481 1.00 0.00 O ATOM 408 CB LEU A 29 4.676 -13.285 -1.996 1.00 0.00 C ATOM 409 CG LEU A 29 3.329 -13.578 -2.657 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.471 -14.453 -1.757 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.606 -12.281 -2.991 1.00 0.00 C ATOM 0 H LEU A 29 7.038 -13.154 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 29 5.797 -13.405 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.020 -14.193 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.521 -12.536 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 29 3.512 -14.118 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.516 -14.651 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.985 -15.396 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.296 -13.941 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.649 -12.508 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.435 -11.714 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.215 -11.691 -3.676 1.00 0.00 H new ATOM 423 N LEU A 30 5.668 -10.436 -2.368 1.00 0.00 N ATOM 424 CA LEU A 30 5.450 -9.016 -2.623 1.00 0.00 C ATOM 425 C LEU A 30 6.357 -8.518 -3.743 1.00 0.00 C ATOM 426 O LEU A 30 6.012 -7.581 -4.464 1.00 0.00 O ATOM 427 CB LEU A 30 5.701 -8.205 -1.350 1.00 0.00 C ATOM 428 CG LEU A 30 5.101 -8.773 -0.063 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.247 -7.779 1.078 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.638 -9.136 -0.272 1.00 0.00 C ATOM 0 H LEU A 30 5.932 -10.657 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 30 4.414 -8.883 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.778 -8.106 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.305 -7.200 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 30 5.646 -9.680 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.814 -8.201 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.303 -7.568 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.728 -6.855 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.227 -9.539 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.080 -8.245 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.558 -9.885 -1.060 1.00 0.00 H new ATOM 442 N ARG A 31 7.517 -9.151 -3.885 1.00 0.00 N ATOM 443 CA ARG A 31 8.473 -8.773 -4.919 1.00 0.00 C ATOM 444 C ARG A 31 7.873 -8.962 -6.309 1.00 0.00 C ATOM 445 O ARG A 31 8.094 -8.151 -7.207 1.00 0.00 O ATOM 446 CB ARG A 31 9.753 -9.601 -4.787 1.00 0.00 C ATOM 447 CG ARG A 31 10.721 -9.062 -3.747 1.00 0.00 C ATOM 448 CD ARG A 31 12.152 -9.483 -4.047 1.00 0.00 C ATOM 449 NE ARG A 31 13.097 -8.941 -3.074 1.00 0.00 N ATOM 450 CZ ARG A 31 13.491 -7.673 -3.060 1.00 0.00 C ATOM 451 NH1 ARG A 31 13.024 -6.820 -3.961 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.355 -7.255 -2.143 1.00 0.00 N ATOM 0 H ARG A 31 7.818 -9.928 -3.297 1.00 0.00 H new ATOM 0 HA ARG A 31 8.715 -7.719 -4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.488 -10.626 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.254 -9.636 -5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.659 -7.974 -3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.434 -9.423 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.217 -10.571 -4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.427 -9.146 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 31 13.475 -9.571 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.360 -7.137 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.329 -5.847 -3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.717 -7.908 -1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.657 -6.281 -2.133 1.00 0.00 H new ATOM 466 N GLY A 32 7.113 -10.040 -6.479 1.00 0.00 N ATOM 467 CA GLY A 32 6.494 -10.316 -7.762 1.00 0.00 C ATOM 468 C GLY A 32 5.090 -9.755 -7.861 1.00 0.00 C ATOM 469 O GLY A 32 4.510 -9.705 -8.945 1.00 0.00 O ATOM 0 H GLY A 32 6.915 -10.727 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.108 -9.892 -8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.463 -11.394 -7.923 1.00 0.00 H new ATOM 473 N ALA A 33 4.542 -9.332 -6.727 1.00 0.00 N ATOM 474 CA ALA A 33 3.197 -8.771 -6.691 1.00 0.00 C ATOM 475 C ALA A 33 3.232 -7.252 -6.828 1.00 0.00 C ATOM 476 O ALA A 33 2.314 -6.648 -7.382 1.00 0.00 O ATOM 477 CB ALA A 33 2.493 -9.170 -5.403 1.00 0.00 C ATOM 0 H ALA A 33 5.009 -9.367 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 33 2.639 -9.174 -7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.490 -8.744 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.427 -10.256 -5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.057 -8.796 -4.549 1.00 0.00 H new ATOM 483 N PHE A 34 4.297 -6.641 -6.320 1.00 0.00 N ATOM 484 CA PHE A 34 4.450 -5.192 -6.384 1.00 0.00 C ATOM 485 C PHE A 34 5.287 -4.788 -7.594 1.00 0.00 C ATOM 486 O PHE A 34 5.274 -3.630 -8.012 1.00 0.00 O ATOM 487 CB PHE A 34 5.101 -4.670 -5.102 1.00 0.00 C ATOM 488 CG PHE A 34 4.171 -4.650 -3.923 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.678 -5.831 -3.392 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.790 -3.450 -3.345 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.822 -5.815 -2.308 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.934 -3.428 -2.260 1.00 0.00 C ATOM 493 CZ PHE A 34 2.450 -4.612 -1.740 1.00 0.00 C ATOM 0 H PHE A 34 5.067 -7.126 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 34 3.459 -4.750 -6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.964 -5.291 -4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.474 -3.661 -5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.966 -6.775 -3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.166 -2.521 -3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.444 -6.743 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.644 -2.486 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.782 -4.598 -0.891 1.00 0.00 H new ATOM 503 N SER A 35 6.015 -5.750 -8.151 1.00 0.00 N ATOM 504 CA SER A 35 6.862 -5.494 -9.311 1.00 0.00 C ATOM 505 C SER A 35 6.035 -4.981 -10.485 1.00 0.00 C ATOM 506 O SER A 35 6.396 -4.015 -11.158 1.00 0.00 O ATOM 507 CB SER A 35 7.608 -6.767 -9.715 1.00 0.00 C ATOM 508 OG SER A 35 7.815 -6.813 -11.116 1.00 0.00 O ATOM 0 H SER A 35 6.036 -6.714 -7.818 1.00 0.00 H new ATOM 0 HA SER A 35 7.587 -4.728 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.568 -6.809 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.039 -7.642 -9.399 1.00 0.00 H new ATOM 0 HG SER A 35 8.295 -7.635 -11.349 1.00 0.00 H new ATOM 514 N PRO A 36 4.896 -5.642 -10.739 1.00 0.00 N ATOM 515 CA PRO A 36 3.992 -5.271 -11.832 1.00 0.00 C ATOM 516 C PRO A 36 3.696 -3.776 -11.858 1.00 0.00 C ATOM 517 O PRO A 36 3.541 -3.182 -12.925 1.00 0.00 O ATOM 518 CB PRO A 36 2.719 -6.063 -11.524 1.00 0.00 C ATOM 519 CG PRO A 36 3.185 -7.238 -10.735 1.00 0.00 C ATOM 520 CD PRO A 36 4.402 -6.802 -9.979 1.00 0.00 C ATOM 0 HA PRO A 36 4.422 -5.492 -12.809 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.007 -5.463 -10.957 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.216 -6.375 -12.439 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.407 -7.577 -10.051 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.419 -8.076 -11.392 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.158 -6.532 -8.952 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.148 -7.595 -9.931 1.00 0.00 H new ATOM 528 N PHE A 37 3.619 -3.172 -10.677 1.00 0.00 N ATOM 529 CA PHE A 37 3.341 -1.745 -10.564 1.00 0.00 C ATOM 530 C PHE A 37 4.585 -0.922 -10.887 1.00 0.00 C ATOM 531 O PHE A 37 4.494 0.153 -11.480 1.00 0.00 O ATOM 532 CB PHE A 37 2.846 -1.410 -9.156 1.00 0.00 C ATOM 533 CG PHE A 37 1.492 -1.980 -8.845 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.365 -3.267 -8.346 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.345 -1.230 -9.052 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.120 -3.795 -8.058 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.902 -1.753 -8.767 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.015 -3.037 -8.270 1.00 0.00 C ATOM 0 H PHE A 37 3.745 -3.649 -9.784 1.00 0.00 H new ATOM 0 HA PHE A 37 2.563 -1.494 -11.284 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.565 -1.785 -8.428 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.811 -0.327 -9.040 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.249 -3.865 -8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.427 -0.226 -9.440 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.035 -4.799 -7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.788 -1.158 -8.933 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.989 -3.447 -8.048 1.00 0.00 H new ATOM 548 N GLY A 38 5.746 -1.435 -10.493 1.00 0.00 N ATOM 549 CA GLY A 38 6.991 -0.734 -10.748 1.00 0.00 C ATOM 550 C GLY A 38 8.200 -1.497 -10.242 1.00 0.00 C ATOM 551 O GLY A 38 8.206 -2.727 -10.231 1.00 0.00 O ATOM 0 H GLY A 38 5.847 -2.323 -10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.095 -0.563 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.957 0.245 -10.271 1.00 0.00 H new ATOM 555 N ASN A 39 9.227 -0.765 -9.823 1.00 0.00 N ATOM 556 CA ASN A 39 10.447 -1.380 -9.315 1.00 0.00 C ATOM 557 C ASN A 39 10.522 -1.267 -7.795 1.00 0.00 C ATOM 558 O ASN A 39 10.195 -0.226 -7.224 1.00 0.00 O ATOM 559 CB ASN A 39 11.676 -0.723 -9.948 1.00 0.00 C ATOM 560 CG ASN A 39 12.974 -1.353 -9.480 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.157 -2.566 -9.577 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.881 -0.528 -8.970 1.00 0.00 N ATOM 0 H ASN A 39 9.238 0.255 -9.825 1.00 0.00 H new ATOM 0 HA ASN A 39 10.430 -2.437 -9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.608 -0.801 -11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.683 0.339 -9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.774 -0.893 -8.639 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.685 0.471 -8.910 1.00 0.00 H new ATOM 569 N ILE A 40 10.955 -2.343 -7.148 1.00 0.00 N ATOM 570 CA ILE A 40 11.074 -2.364 -5.695 1.00 0.00 C ATOM 571 C ILE A 40 12.518 -2.135 -5.259 1.00 0.00 C ATOM 572 O ILE A 40 13.390 -2.969 -5.504 1.00 0.00 O ATOM 573 CB ILE A 40 10.578 -3.698 -5.109 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.107 -3.922 -5.467 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.769 -3.717 -3.599 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.663 -5.361 -5.325 1.00 0.00 C ATOM 0 H ILE A 40 11.229 -3.212 -7.606 1.00 0.00 H new ATOM 0 HA ILE A 40 10.449 -1.556 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 40 11.166 -4.508 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.486 -3.294 -4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.938 -3.598 -6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.414 -4.667 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.827 -3.598 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.204 -2.900 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.610 -5.445 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.258 -5.992 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.800 -5.684 -4.293 1.00 0.00 H new ATOM 588 N ILE A 41 12.761 -1.002 -4.611 1.00 0.00 N ATOM 589 CA ILE A 41 14.098 -0.665 -4.138 1.00 0.00 C ATOM 590 C ILE A 41 14.248 -0.968 -2.650 1.00 0.00 C ATOM 591 O ILE A 41 15.325 -1.342 -2.188 1.00 0.00 O ATOM 592 CB ILE A 41 14.425 0.820 -4.383 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.264 1.703 -3.922 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.728 1.059 -5.855 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.549 3.184 -4.039 1.00 0.00 C ATOM 0 H ILE A 41 12.050 -0.301 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 41 14.797 -1.281 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 41 15.309 1.083 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.379 1.464 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 41 13.028 1.467 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.957 2.113 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.583 0.453 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.861 0.783 -6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.683 3.749 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.414 3.437 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.755 3.434 -5.080 1.00 0.00 H new ATOM 607 N ASP A 42 13.159 -0.805 -1.907 1.00 0.00 N ATOM 608 CA ASP A 42 13.167 -1.064 -0.472 1.00 0.00 C ATOM 609 C ASP A 42 11.941 -1.872 -0.058 1.00 0.00 C ATOM 610 O ASP A 42 10.826 -1.351 -0.016 1.00 0.00 O ATOM 611 CB ASP A 42 13.211 0.253 0.305 1.00 0.00 C ATOM 612 CG ASP A 42 13.908 0.113 1.644 1.00 0.00 C ATOM 613 OD1 ASP A 42 15.156 0.114 1.665 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.205 0.001 2.670 1.00 0.00 O ATOM 0 H ASP A 42 12.260 -0.495 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 42 14.059 -1.646 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.725 1.006 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.194 0.612 0.464 1.00 0.00 H new ATOM 619 N LEU A 43 12.155 -3.148 0.244 1.00 0.00 N ATOM 620 CA LEU A 43 11.067 -4.030 0.654 1.00 0.00 C ATOM 621 C LEU A 43 11.421 -4.770 1.940 1.00 0.00 C ATOM 622 O LEU A 43 12.283 -5.649 1.945 1.00 0.00 O ATOM 623 CB LEU A 43 10.754 -5.034 -0.456 1.00 0.00 C ATOM 624 CG LEU A 43 9.992 -6.290 -0.030 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.800 -5.922 0.839 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.542 -7.080 -1.250 1.00 0.00 C ATOM 0 H LEU A 43 13.071 -3.595 0.213 1.00 0.00 H new ATOM 0 HA LEU A 43 10.185 -3.417 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.174 -4.525 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.693 -5.342 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 43 10.663 -6.917 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.270 -6.828 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.147 -5.400 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.127 -5.274 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.002 -7.970 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.888 -6.461 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.414 -7.376 -1.834 1.00 0.00 H new ATOM 638 N SER A 44 10.748 -4.409 3.028 1.00 0.00 N ATOM 639 CA SER A 44 10.992 -5.038 4.321 1.00 0.00 C ATOM 640 C SER A 44 9.725 -5.700 4.851 1.00 0.00 C ATOM 641 O SER A 44 8.624 -5.174 4.692 1.00 0.00 O ATOM 642 CB SER A 44 11.499 -4.003 5.327 1.00 0.00 C ATOM 643 OG SER A 44 10.709 -2.827 5.291 1.00 0.00 O ATOM 0 H SER A 44 10.030 -3.685 3.040 1.00 0.00 H new ATOM 0 HA SER A 44 11.753 -5.807 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.480 -4.427 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.537 -3.754 5.106 1.00 0.00 H new ATOM 0 HG SER A 44 11.212 -2.083 5.684 1.00 0.00 H new ATOM 649 N MET A 45 9.889 -6.859 5.481 1.00 0.00 N ATOM 650 CA MET A 45 8.758 -7.594 6.036 1.00 0.00 C ATOM 651 C MET A 45 8.924 -7.792 7.539 1.00 0.00 C ATOM 652 O MET A 45 10.024 -8.061 8.022 1.00 0.00 O ATOM 653 CB MET A 45 8.616 -8.951 5.343 1.00 0.00 C ATOM 654 CG MET A 45 7.693 -8.923 4.136 1.00 0.00 C ATOM 655 SD MET A 45 5.983 -9.306 4.560 1.00 0.00 S ATOM 656 CE MET A 45 5.531 -10.385 3.204 1.00 0.00 C ATOM 0 H MET A 45 10.794 -7.309 5.620 1.00 0.00 H new ATOM 0 HA MET A 45 7.855 -7.009 5.862 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.602 -9.294 5.029 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.239 -9.679 6.061 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.736 -7.937 3.673 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.049 -9.639 3.395 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.476 -10.247 2.966 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.135 -10.143 2.330 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.706 -11.422 3.490 1.00 0.00 H new ATOM 666 N ASP A 46 7.825 -7.656 8.273 1.00 0.00 N ATOM 667 CA ASP A 46 7.849 -7.821 9.722 1.00 0.00 C ATOM 668 C ASP A 46 6.813 -8.849 10.169 1.00 0.00 C ATOM 669 O ASP A 46 5.636 -8.539 10.357 1.00 0.00 O ATOM 670 CB ASP A 46 7.587 -6.482 10.413 1.00 0.00 C ATOM 671 CG ASP A 46 8.170 -6.429 11.812 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.411 -6.483 11.941 1.00 0.00 O ATOM 673 OD2 ASP A 46 7.385 -6.334 12.778 1.00 0.00 O ATOM 0 H ASP A 46 6.907 -7.432 7.889 1.00 0.00 H new ATOM 0 HA ASP A 46 8.838 -8.181 10.006 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.014 -5.678 9.814 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.512 -6.306 10.463 1.00 0.00 H new ATOM 678 N PRO A 47 7.259 -10.102 10.343 1.00 0.00 N ATOM 679 CA PRO A 47 6.387 -11.200 10.769 1.00 0.00 C ATOM 680 C PRO A 47 5.527 -10.825 11.970 1.00 0.00 C ATOM 681 O PRO A 47 4.334 -11.125 12.027 1.00 0.00 O ATOM 682 CB PRO A 47 7.373 -12.310 11.143 1.00 0.00 C ATOM 683 CG PRO A 47 8.590 -12.026 10.332 1.00 0.00 C ATOM 684 CD PRO A 47 8.649 -10.542 10.137 1.00 0.00 C ATOM 0 HA PRO A 47 5.679 -11.484 9.991 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.597 -12.298 12.210 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.966 -13.295 10.914 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.485 -12.384 10.841 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.542 -12.540 9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.327 -10.072 10.850 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.006 -10.284 9.140 1.00 0.00 H new ATOM 692 N PRO A 48 6.143 -10.153 12.953 1.00 0.00 N ATOM 693 CA PRO A 48 5.451 -9.721 14.172 1.00 0.00 C ATOM 694 C PRO A 48 4.126 -9.028 13.871 1.00 0.00 C ATOM 695 O PRO A 48 3.062 -9.501 14.271 1.00 0.00 O ATOM 696 CB PRO A 48 6.436 -8.738 14.810 1.00 0.00 C ATOM 697 CG PRO A 48 7.773 -9.163 14.309 1.00 0.00 C ATOM 698 CD PRO A 48 7.563 -9.762 12.952 1.00 0.00 C ATOM 0 HA PRO A 48 5.192 -10.563 14.814 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.213 -7.711 14.521 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.389 -8.781 15.898 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.452 -8.312 14.254 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.225 -9.889 14.985 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.779 -9.044 12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.214 -10.621 12.789 1.00 0.00 H new ATOM 706 N ARG A 49 4.198 -7.905 13.164 1.00 0.00 N ATOM 707 CA ARG A 49 3.004 -7.147 12.810 1.00 0.00 C ATOM 708 C ARG A 49 2.466 -7.583 11.451 1.00 0.00 C ATOM 709 O ARG A 49 1.606 -6.921 10.872 1.00 0.00 O ATOM 710 CB ARG A 49 3.313 -5.648 12.792 1.00 0.00 C ATOM 711 CG ARG A 49 3.445 -5.037 14.177 1.00 0.00 C ATOM 712 CD ARG A 49 2.100 -4.564 14.708 1.00 0.00 C ATOM 713 NE ARG A 49 2.231 -3.859 15.980 1.00 0.00 N ATOM 714 CZ ARG A 49 1.203 -3.339 16.641 1.00 0.00 C ATOM 715 NH1 ARG A 49 -0.025 -3.443 16.152 1.00 0.00 N ATOM 716 NH2 ARG A 49 1.402 -2.712 17.793 1.00 0.00 N ATOM 0 H ARG A 49 5.071 -7.500 12.825 1.00 0.00 H new ATOM 0 HA ARG A 49 2.241 -7.345 13.563 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.239 -5.483 12.242 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.523 -5.129 12.249 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.869 -5.772 14.861 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.139 -4.197 14.141 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.632 -3.906 13.976 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.439 -5.421 14.835 1.00 0.00 H new ATOM 0 HE ARG A 49 3.163 -3.760 16.383 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.182 -3.923 15.266 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.813 -3.043 16.662 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.345 -2.629 18.172 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.612 -2.313 18.300 1.00 0.00 H new ATOM 730 N ASN A 50 2.979 -8.700 10.947 1.00 0.00 N ATOM 731 CA ASN A 50 2.551 -9.224 9.656 1.00 0.00 C ATOM 732 C ASN A 50 2.392 -8.099 8.638 1.00 0.00 C ATOM 733 O ASN A 50 1.472 -8.113 7.820 1.00 0.00 O ATOM 734 CB ASN A 50 1.231 -9.985 9.802 1.00 0.00 C ATOM 735 CG ASN A 50 1.366 -11.212 10.682 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.621 -11.105 11.882 1.00 0.00 O ATOM 737 ND2 ASN A 50 1.195 -12.387 10.088 1.00 0.00 N ATOM 0 H ASN A 50 3.692 -9.260 11.414 1.00 0.00 H new ATOM 0 HA ASN A 50 3.319 -9.909 9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.476 -9.321 10.223 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.877 -10.286 8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.274 -13.248 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.985 -12.429 9.091 1.00 0.00 H new ATOM 744 N CYS A 51 3.295 -7.126 8.694 1.00 0.00 N ATOM 745 CA CYS A 51 3.255 -5.992 7.778 1.00 0.00 C ATOM 746 C CYS A 51 4.545 -5.901 6.970 1.00 0.00 C ATOM 747 O CYS A 51 5.465 -6.696 7.158 1.00 0.00 O ATOM 748 CB CYS A 51 3.031 -4.692 8.551 1.00 0.00 C ATOM 749 SG CYS A 51 4.450 -4.167 9.542 1.00 0.00 S ATOM 0 H CYS A 51 4.064 -7.100 9.364 1.00 0.00 H new ATOM 0 HA CYS A 51 2.425 -6.143 7.088 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.782 -3.900 7.844 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.169 -4.816 9.207 1.00 0.00 H new ATOM 0 HG CYS A 51 4.164 -3.057 10.156 1.00 0.00 H new ATOM 755 N ALA A 52 4.605 -4.926 6.068 1.00 0.00 N ATOM 756 CA ALA A 52 5.782 -4.731 5.231 1.00 0.00 C ATOM 757 C ALA A 52 5.822 -3.317 4.661 1.00 0.00 C ATOM 758 O ALA A 52 4.791 -2.654 4.546 1.00 0.00 O ATOM 759 CB ALA A 52 5.807 -5.756 4.107 1.00 0.00 C ATOM 0 H ALA A 52 3.852 -4.259 5.899 1.00 0.00 H new ATOM 0 HA ALA A 52 6.666 -4.869 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.692 -5.598 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.835 -6.760 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.913 -5.645 3.494 1.00 0.00 H new ATOM 765 N PHE A 53 7.018 -2.861 4.305 1.00 0.00 N ATOM 766 CA PHE A 53 7.192 -1.524 3.748 1.00 0.00 C ATOM 767 C PHE A 53 7.832 -1.591 2.364 1.00 0.00 C ATOM 768 O PHE A 53 9.048 -1.734 2.237 1.00 0.00 O ATOM 769 CB PHE A 53 8.053 -0.668 4.680 1.00 0.00 C ATOM 770 CG PHE A 53 7.656 -0.771 6.125 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.400 -0.363 6.543 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.540 -1.276 7.065 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.032 -0.456 7.872 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.178 -1.372 8.395 1.00 0.00 C ATOM 775 CZ PHE A 53 6.923 -0.961 8.799 1.00 0.00 C ATOM 0 H PHE A 53 7.881 -3.397 4.392 1.00 0.00 H new ATOM 0 HA PHE A 53 6.207 -1.066 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.096 -0.968 4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.988 0.374 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.700 0.032 5.822 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.523 -1.598 6.755 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.050 -0.134 8.185 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.876 -1.768 9.118 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.639 -1.034 9.838 1.00 0.00 H new ATOM 785 N VAL A 54 7.003 -1.487 1.330 1.00 0.00 N ATOM 786 CA VAL A 54 7.487 -1.535 -0.045 1.00 0.00 C ATOM 787 C VAL A 54 7.694 -0.131 -0.603 1.00 0.00 C ATOM 788 O VAL A 54 6.811 0.722 -0.513 1.00 0.00 O ATOM 789 CB VAL A 54 6.509 -2.299 -0.957 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.010 -2.301 -2.393 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.310 -3.720 -0.451 1.00 0.00 C ATOM 0 H VAL A 54 5.994 -1.369 1.418 1.00 0.00 H new ATOM 0 HA VAL A 54 8.442 -2.061 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 54 5.545 -1.791 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.306 -2.845 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.097 -1.275 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.986 -2.785 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.616 -4.246 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.267 -4.241 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.904 -3.693 0.560 1.00 0.00 H new ATOM 801 N THR A 55 8.868 0.102 -1.182 1.00 0.00 N ATOM 802 CA THR A 55 9.193 1.402 -1.756 1.00 0.00 C ATOM 803 C THR A 55 9.334 1.314 -3.271 1.00 0.00 C ATOM 804 O THR A 55 10.026 0.439 -3.791 1.00 0.00 O ATOM 805 CB THR A 55 10.497 1.968 -1.162 1.00 0.00 C ATOM 806 OG1 THR A 55 10.411 1.999 0.267 1.00 0.00 O ATOM 807 CG2 THR A 55 10.768 3.368 -1.690 1.00 0.00 C ATOM 0 H THR A 55 9.610 -0.593 -1.266 1.00 0.00 H new ATOM 0 HA THR A 55 8.369 2.072 -1.509 1.00 0.00 H new ATOM 0 HB THR A 55 11.320 1.319 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.170 2.501 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.694 3.747 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.862 3.336 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.943 4.026 -1.417 1.00 0.00 H new ATOM 815 N TYR A 56 8.674 2.227 -3.975 1.00 0.00 N ATOM 816 CA TYR A 56 8.724 2.252 -5.432 1.00 0.00 C ATOM 817 C TYR A 56 9.713 3.304 -5.925 1.00 0.00 C ATOM 818 O TYR A 56 9.812 4.392 -5.357 1.00 0.00 O ATOM 819 CB TYR A 56 7.335 2.532 -6.007 1.00 0.00 C ATOM 820 CG TYR A 56 6.419 1.329 -5.990 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.777 0.150 -6.631 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.195 1.373 -5.334 1.00 0.00 C ATOM 823 CE1 TYR A 56 5.943 -0.952 -6.619 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.355 0.276 -5.316 1.00 0.00 C ATOM 825 CZ TYR A 56 4.734 -0.884 -5.959 1.00 0.00 C ATOM 826 OH TYR A 56 3.899 -1.978 -5.944 1.00 0.00 O ATOM 0 H TYR A 56 8.098 2.960 -3.560 1.00 0.00 H new ATOM 0 HA TYR A 56 9.061 1.274 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.872 3.339 -5.439 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.440 2.884 -7.033 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.724 0.093 -7.148 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.895 2.280 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.236 -1.861 -7.123 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.407 0.327 -4.801 1.00 0.00 H new ATOM 0 HH TYR A 56 3.479 -2.057 -5.062 1.00 0.00 H new ATOM 836 N GLU A 57 10.441 2.972 -6.987 1.00 0.00 N ATOM 837 CA GLU A 57 11.421 3.888 -7.556 1.00 0.00 C ATOM 838 C GLU A 57 10.775 5.223 -7.915 1.00 0.00 C ATOM 839 O GLU A 57 11.443 6.257 -7.962 1.00 0.00 O ATOM 840 CB GLU A 57 12.066 3.272 -8.799 1.00 0.00 C ATOM 841 CG GLU A 57 12.882 4.260 -9.616 1.00 0.00 C ATOM 842 CD GLU A 57 13.448 3.645 -10.881 1.00 0.00 C ATOM 843 OE1 GLU A 57 13.886 2.477 -10.829 1.00 0.00 O ATOM 844 OE2 GLU A 57 13.452 4.332 -11.924 1.00 0.00 O ATOM 0 H GLU A 57 10.370 2.076 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 57 12.191 4.067 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.710 2.448 -8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.285 2.849 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.256 5.112 -9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.700 4.643 -9.005 1.00 0.00 H new ATOM 851 N LYS A 58 9.471 5.194 -8.167 1.00 0.00 N ATOM 852 CA LYS A 58 8.732 6.400 -8.521 1.00 0.00 C ATOM 853 C LYS A 58 7.606 6.659 -7.525 1.00 0.00 C ATOM 854 O LYS A 58 7.200 5.763 -6.785 1.00 0.00 O ATOM 855 CB LYS A 58 8.159 6.276 -9.934 1.00 0.00 C ATOM 856 CG LYS A 58 9.218 6.084 -11.005 1.00 0.00 C ATOM 857 CD LYS A 58 8.678 6.406 -12.388 1.00 0.00 C ATOM 858 CE LYS A 58 9.800 6.698 -13.372 1.00 0.00 C ATOM 859 NZ LYS A 58 10.381 8.054 -13.163 1.00 0.00 N ATOM 0 H LYS A 58 8.903 4.347 -8.133 1.00 0.00 H new ATOM 0 HA LYS A 58 9.423 7.242 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.467 5.434 -9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.581 7.172 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.074 6.723 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.576 5.055 -10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.083 5.568 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.012 7.267 -12.328 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.582 5.947 -13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.420 6.619 -14.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.020 8.283 -13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.616 8.757 -13.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.913 8.070 -12.270 1.00 0.00 H new ATOM 873 N MET A 59 7.104 7.890 -7.514 1.00 0.00 N ATOM 874 CA MET A 59 6.022 8.265 -6.610 1.00 0.00 C ATOM 875 C MET A 59 4.672 7.825 -7.167 1.00 0.00 C ATOM 876 O MET A 59 3.749 7.521 -6.412 1.00 0.00 O ATOM 877 CB MET A 59 6.023 9.778 -6.380 1.00 0.00 C ATOM 878 CG MET A 59 6.011 10.588 -7.666 1.00 0.00 C ATOM 879 SD MET A 59 5.335 12.244 -7.436 1.00 0.00 S ATOM 880 CE MET A 59 3.579 11.909 -7.533 1.00 0.00 C ATOM 0 H MET A 59 7.428 8.644 -8.120 1.00 0.00 H new ATOM 0 HA MET A 59 6.185 7.760 -5.658 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.152 10.047 -5.783 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.904 10.048 -5.798 1.00 0.00 H new ATOM 0 HG2 MET A 59 7.027 10.665 -8.052 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.423 10.061 -8.418 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.093 12.684 -8.125 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.419 10.939 -8.004 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.154 11.900 -6.529 1.00 0.00 H new ATOM 890 N GLU A 60 4.564 7.793 -8.492 1.00 0.00 N ATOM 891 CA GLU A 60 3.326 7.391 -9.147 1.00 0.00 C ATOM 892 C GLU A 60 2.881 6.011 -8.670 1.00 0.00 C ATOM 893 O GLU A 60 1.700 5.784 -8.407 1.00 0.00 O ATOM 894 CB GLU A 60 3.506 7.384 -10.667 1.00 0.00 C ATOM 895 CG GLU A 60 4.568 6.410 -11.149 1.00 0.00 C ATOM 896 CD GLU A 60 4.595 6.278 -12.660 1.00 0.00 C ATOM 897 OE1 GLU A 60 3.555 5.908 -13.242 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.658 6.546 -13.259 1.00 0.00 O ATOM 0 H GLU A 60 5.319 8.041 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 60 2.554 8.114 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.555 7.133 -11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.769 8.389 -10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.546 6.742 -10.799 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.386 5.431 -10.706 1.00 0.00 H new ATOM 905 N SER A 61 3.836 5.093 -8.563 1.00 0.00 N ATOM 906 CA SER A 61 3.543 3.734 -8.122 1.00 0.00 C ATOM 907 C SER A 61 2.907 3.737 -6.735 1.00 0.00 C ATOM 908 O SER A 61 1.940 3.019 -6.482 1.00 0.00 O ATOM 909 CB SER A 61 4.821 2.893 -8.107 1.00 0.00 C ATOM 910 OG SER A 61 5.396 2.816 -9.400 1.00 0.00 O ATOM 0 H SER A 61 4.819 5.265 -8.775 1.00 0.00 H new ATOM 0 HA SER A 61 2.836 3.295 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.539 3.329 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.596 1.890 -7.745 1.00 0.00 H new ATOM 0 HG SER A 61 6.212 2.275 -9.363 1.00 0.00 H new ATOM 916 N ALA A 62 3.457 4.552 -5.841 1.00 0.00 N ATOM 917 CA ALA A 62 2.944 4.651 -4.480 1.00 0.00 C ATOM 918 C ALA A 62 1.422 4.744 -4.474 1.00 0.00 C ATOM 919 O ALA A 62 0.741 3.894 -3.898 1.00 0.00 O ATOM 920 CB ALA A 62 3.551 5.854 -3.774 1.00 0.00 C ATOM 0 H ALA A 62 4.258 5.153 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 62 3.229 3.746 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.159 5.916 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.635 5.746 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.294 6.763 -4.318 1.00 0.00 H new ATOM 926 N ASP A 63 0.894 5.779 -5.116 1.00 0.00 N ATOM 927 CA ASP A 63 -0.549 5.983 -5.185 1.00 0.00 C ATOM 928 C ASP A 63 -1.220 4.853 -5.960 1.00 0.00 C ATOM 929 O ASP A 63 -2.298 4.389 -5.589 1.00 0.00 O ATOM 930 CB ASP A 63 -0.865 7.327 -5.841 1.00 0.00 C ATOM 931 CG ASP A 63 -0.121 8.478 -5.192 1.00 0.00 C ATOM 932 OD1 ASP A 63 -0.380 8.755 -4.002 1.00 0.00 O ATOM 933 OD2 ASP A 63 0.719 9.101 -5.874 1.00 0.00 O ATOM 0 H ASP A 63 1.444 6.491 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.941 5.984 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.606 7.281 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.937 7.513 -5.783 1.00 0.00 H new ATOM 938 N GLN A 64 -0.577 4.418 -7.038 1.00 0.00 N ATOM 939 CA GLN A 64 -1.113 3.345 -7.867 1.00 0.00 C ATOM 940 C GLN A 64 -1.391 2.100 -7.031 1.00 0.00 C ATOM 941 O GLN A 64 -2.542 1.702 -6.856 1.00 0.00 O ATOM 942 CB GLN A 64 -0.139 3.009 -8.997 1.00 0.00 C ATOM 943 CG GLN A 64 -0.266 3.927 -10.202 1.00 0.00 C ATOM 944 CD GLN A 64 0.120 3.244 -11.499 1.00 0.00 C ATOM 945 OE1 GLN A 64 0.310 2.028 -11.541 1.00 0.00 O ATOM 946 NE2 GLN A 64 0.239 4.024 -12.567 1.00 0.00 N ATOM 0 H GLN A 64 0.316 4.792 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.053 3.688 -8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.880 3.063 -8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.306 1.980 -9.315 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.293 4.284 -10.275 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.366 4.803 -10.055 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.072 5.027 -12.487 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.497 3.620 -13.467 1.00 0.00 H new ATOM 955 N ALA A 65 -0.328 1.488 -6.519 1.00 0.00 N ATOM 956 CA ALA A 65 -0.457 0.289 -5.701 1.00 0.00 C ATOM 957 C ALA A 65 -1.535 0.464 -4.636 1.00 0.00 C ATOM 958 O ALA A 65 -2.476 -0.324 -4.555 1.00 0.00 O ATOM 959 CB ALA A 65 0.876 -0.055 -5.054 1.00 0.00 C ATOM 0 H ALA A 65 0.632 1.803 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.755 -0.534 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.764 -0.953 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.622 -0.232 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.198 0.773 -4.423 1.00 0.00 H new ATOM 965 N VAL A 66 -1.389 1.503 -3.819 1.00 0.00 N ATOM 966 CA VAL A 66 -2.350 1.782 -2.759 1.00 0.00 C ATOM 967 C VAL A 66 -3.772 1.833 -3.306 1.00 0.00 C ATOM 968 O VAL A 66 -4.741 1.743 -2.552 1.00 0.00 O ATOM 969 CB VAL A 66 -2.035 3.114 -2.053 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.269 3.644 -1.337 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.878 2.941 -1.081 1.00 0.00 C ATOM 0 H VAL A 66 -0.615 2.165 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.271 0.969 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.740 3.844 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.027 4.586 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.067 3.808 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.597 2.919 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.669 3.892 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.142 2.196 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.007 2.611 -1.624 1.00 0.00 H new ATOM 981 N ALA A 67 -3.890 1.978 -4.622 1.00 0.00 N ATOM 982 CA ALA A 67 -5.194 2.038 -5.270 1.00 0.00 C ATOM 983 C ALA A 67 -5.656 0.651 -5.704 1.00 0.00 C ATOM 984 O ALA A 67 -6.838 0.324 -5.608 1.00 0.00 O ATOM 985 CB ALA A 67 -5.146 2.978 -6.466 1.00 0.00 C ATOM 0 H ALA A 67 -3.098 2.056 -5.260 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.914 2.423 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.127 3.013 -6.941 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.868 3.978 -6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.409 2.617 -7.183 1.00 0.00 H new ATOM 991 N GLU A 68 -4.716 -0.159 -6.181 1.00 0.00 N ATOM 992 CA GLU A 68 -5.029 -1.510 -6.630 1.00 0.00 C ATOM 993 C GLU A 68 -4.712 -2.532 -5.542 1.00 0.00 C ATOM 994 O GLU A 68 -5.588 -3.278 -5.101 1.00 0.00 O ATOM 995 CB GLU A 68 -4.245 -1.843 -7.902 1.00 0.00 C ATOM 996 CG GLU A 68 -4.434 -0.827 -9.016 1.00 0.00 C ATOM 997 CD GLU A 68 -4.255 -1.433 -10.394 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.158 -2.175 -10.836 1.00 0.00 O ATOM 999 OE2 GLU A 68 -3.215 -1.167 -11.030 1.00 0.00 O ATOM 0 H GLU A 68 -3.732 0.097 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.096 -1.555 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.185 -1.910 -7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.552 -2.825 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.431 -0.392 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.721 -0.013 -8.885 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.455 -2.562 -5.115 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.021 -3.493 -4.079 1.00 0.00 C ATOM 1008 C LEU A 69 -3.835 -3.305 -2.802 1.00 0.00 C ATOM 1009 O LEU A 69 -3.787 -4.136 -1.896 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.533 -3.299 -3.782 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.563 -3.829 -4.838 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.823 -4.019 -4.242 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.077 -5.136 -5.425 1.00 0.00 C ATOM 0 H LEU A 69 -2.718 -1.953 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.183 -4.507 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.346 -2.234 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.306 -3.785 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.493 -3.095 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.500 -4.397 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.193 -3.064 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.771 -4.733 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.374 -5.499 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.176 -5.877 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.049 -4.969 -5.889 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.583 -2.208 -2.739 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.409 -1.912 -1.575 1.00 0.00 C ATOM 1027 C ASN A 70 -6.619 -2.839 -1.516 1.00 0.00 C ATOM 1028 O ASN A 70 -7.518 -2.756 -2.352 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.870 -0.454 -1.608 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.222 -0.259 -0.948 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.264 -0.433 -1.580 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.209 0.103 0.329 1.00 0.00 N ATOM 0 H ASN A 70 -4.634 -1.510 -3.481 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.806 -2.075 -0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.130 0.169 -1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.922 -0.116 -2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.087 0.248 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.321 0.236 0.812 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.635 -3.722 -0.522 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.739 -4.651 -0.372 1.00 0.00 C ATOM 1041 C GLY A 71 -7.739 -5.729 -1.438 1.00 0.00 C ATOM 1042 O GLY A 71 -8.726 -6.444 -1.610 1.00 0.00 O ATOM 0 H GLY A 71 -5.902 -3.810 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.686 -5.117 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.680 -4.102 -0.415 1.00 0.00 H new ATOM 1046 N THR A 72 -6.628 -5.845 -2.159 1.00 0.00 N ATOM 1047 CA THR A 72 -6.504 -6.841 -3.216 1.00 0.00 C ATOM 1048 C THR A 72 -6.129 -8.204 -2.646 1.00 0.00 C ATOM 1049 O THR A 72 -5.536 -8.295 -1.572 1.00 0.00 O ATOM 1050 CB THR A 72 -5.448 -6.425 -4.259 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.746 -7.026 -5.524 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.054 -6.837 -3.811 1.00 0.00 C ATOM 0 H THR A 72 -5.801 -5.262 -2.030 1.00 0.00 H new ATOM 0 HA THR A 72 -7.477 -6.909 -3.702 1.00 0.00 H new ATOM 0 HB THR A 72 -5.474 -5.340 -4.358 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.072 -6.756 -6.182 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.326 -6.533 -4.563 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.819 -6.354 -2.862 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.017 -7.919 -3.687 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.478 -9.260 -3.373 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.178 -10.619 -2.938 1.00 0.00 C ATOM 1062 C GLN A 73 -5.272 -11.324 -3.943 1.00 0.00 C ATOM 1063 O GLN A 73 -5.744 -11.892 -4.928 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.470 -11.415 -2.753 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.246 -12.830 -2.244 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.515 -13.659 -2.245 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.548 -13.233 -2.763 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -8.445 -14.851 -1.663 1.00 0.00 N ATOM 0 H GLN A 73 -6.968 -9.201 -4.265 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.656 -10.561 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.117 -10.885 -2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.999 -11.460 -3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.496 -13.320 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.845 -12.788 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.568 -15.164 -1.246 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.268 -15.453 -1.633 1.00 0.00 H new ATOM 1077 N VAL A 74 -3.968 -11.285 -3.686 1.00 0.00 N ATOM 1078 CA VAL A 74 -2.996 -11.921 -4.567 1.00 0.00 C ATOM 1079 C VAL A 74 -2.419 -13.180 -3.931 1.00 0.00 C ATOM 1080 O VAL A 74 -2.206 -13.234 -2.721 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.843 -10.961 -4.916 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.384 -9.592 -5.298 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.870 -10.853 -3.752 1.00 0.00 C ATOM 0 H VAL A 74 -3.561 -10.820 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.525 -12.189 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.305 -11.364 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.555 -8.928 -5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.038 -9.688 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.948 -9.177 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.062 -10.171 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.393 -10.474 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.457 -11.837 -3.531 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.169 -14.192 -4.756 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.617 -15.452 -4.273 1.00 0.00 C ATOM 1095 C GLU A 75 -2.499 -16.049 -3.180 1.00 0.00 C ATOM 1096 O GLU A 75 -2.030 -16.817 -2.340 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.198 -15.243 -3.741 1.00 0.00 C ATOM 1098 CG GLU A 75 0.754 -14.650 -4.766 1.00 0.00 C ATOM 1099 CD GLU A 75 1.210 -15.666 -5.795 1.00 0.00 C ATOM 1100 OE1 GLU A 75 0.343 -16.332 -6.397 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.436 -15.794 -5.999 1.00 0.00 O ATOM 0 H GLU A 75 -2.340 -14.164 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.584 -16.149 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.238 -14.587 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.198 -16.200 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.264 -13.819 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.625 -14.241 -4.254 1.00 0.00 H new ATOM 1108 N SER A 76 -3.778 -15.690 -3.198 1.00 0.00 N ATOM 1109 CA SER A 76 -4.725 -16.185 -2.206 1.00 0.00 C ATOM 1110 C SER A 76 -4.506 -15.506 -0.858 1.00 0.00 C ATOM 1111 O SER A 76 -4.770 -16.088 0.194 1.00 0.00 O ATOM 1112 CB SER A 76 -4.590 -17.701 -2.054 1.00 0.00 C ATOM 1113 OG SER A 76 -5.744 -18.258 -1.448 1.00 0.00 O ATOM 0 H SER A 76 -4.183 -15.058 -3.889 1.00 0.00 H new ATOM 0 HA SER A 76 -5.731 -15.949 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.434 -18.155 -3.033 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.712 -17.932 -1.452 1.00 0.00 H new ATOM 0 HG SER A 76 -5.940 -17.779 -0.616 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.019 -14.269 -0.898 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.764 -13.508 0.320 1.00 0.00 C ATOM 1121 C VAL A 77 -4.203 -12.057 0.162 1.00 0.00 C ATOM 1122 O VAL A 77 -3.707 -11.339 -0.705 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.273 -13.544 0.701 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.016 -12.688 1.933 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.816 -14.976 0.933 1.00 0.00 C ATOM 0 H VAL A 77 -3.793 -13.773 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.345 -13.976 1.115 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.695 -13.132 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.957 -12.725 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.303 -11.657 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.604 -13.068 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.760 -14.982 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.398 -15.417 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.962 -15.557 0.022 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.136 -11.631 1.008 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.642 -10.265 0.963 1.00 0.00 C ATOM 1137 C GLN A 78 -4.640 -9.293 1.578 1.00 0.00 C ATOM 1138 O GLN A 78 -4.509 -9.210 2.800 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.980 -10.169 1.697 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.184 -10.422 0.804 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.363 -10.997 1.563 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.502 -10.788 2.769 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.221 -11.728 0.860 1.00 0.00 N ATOM 0 H GLN A 78 -5.556 -12.213 1.733 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.790 -9.994 -0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.988 -10.888 2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.070 -9.178 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.483 -9.487 0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.901 -11.108 0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.067 -11.876 -0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.033 -12.141 1.318 1.00 0.00 H new ATOM 1152 N LEU A 79 -3.935 -8.559 0.724 1.00 0.00 N ATOM 1153 CA LEU A 79 -2.943 -7.592 1.183 1.00 0.00 C ATOM 1154 C LEU A 79 -3.581 -6.225 1.409 1.00 0.00 C ATOM 1155 O LEU A 79 -4.523 -5.844 0.714 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.806 -7.476 0.166 1.00 0.00 C ATOM 1157 CG LEU A 79 -1.148 -8.789 -0.258 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.088 -8.519 -1.101 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.792 -9.626 0.962 1.00 0.00 C ATOM 0 H LEU A 79 -4.032 -8.615 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.538 -7.945 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.192 -6.982 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.037 -6.826 0.583 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.860 -9.350 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.543 -9.465 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.195 -7.961 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.804 -7.936 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.325 -10.557 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.099 -9.071 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.697 -9.850 1.526 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.059 -5.489 2.385 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.573 -4.162 2.702 1.00 0.00 C ATOM 1173 C LYS A 80 -2.475 -3.110 2.582 1.00 0.00 C ATOM 1174 O LYS A 80 -1.612 -2.997 3.452 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.159 -4.144 4.115 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.188 -3.048 4.333 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.723 -3.061 5.755 1.00 0.00 C ATOM 1178 CE LYS A 80 -4.892 -2.176 6.672 1.00 0.00 C ATOM 1179 NZ LYS A 80 -5.236 -2.384 8.106 1.00 0.00 N ATOM 0 H LYS A 80 -2.280 -5.790 2.970 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.360 -3.924 1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.620 -5.110 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.349 -4.019 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.738 -2.078 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.012 -3.177 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.758 -2.720 5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.723 -4.082 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.834 -2.387 6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.050 -1.130 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.648 -1.763 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.240 -2.159 8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.061 -3.376 8.365 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.515 -2.341 1.498 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.525 -1.296 1.266 1.00 0.00 C ATOM 1195 C VAL A 81 -2.078 0.076 1.635 1.00 0.00 C ATOM 1196 O VAL A 81 -3.261 0.352 1.442 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.066 -1.274 -0.204 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.125 -0.345 -0.378 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.730 -2.680 -0.677 1.00 0.00 C ATOM 0 H VAL A 81 -3.222 -2.422 0.767 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.670 -1.523 1.902 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.884 -0.895 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.435 -0.343 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.155 0.665 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.950 -0.691 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.407 -2.646 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.071 -3.089 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.613 -3.313 -0.591 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.212 0.933 2.167 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.613 2.278 2.563 1.00 0.00 C ATOM 1211 C ASN A 82 -0.446 3.253 2.437 1.00 0.00 C ATOM 1212 O ASN A 82 0.714 2.870 2.588 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.136 2.274 4.001 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.152 3.372 4.250 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -4.216 3.400 3.631 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -2.827 4.283 5.159 1.00 0.00 N ATOM 0 H ASN A 82 -0.229 0.720 2.334 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.410 2.604 1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.590 1.307 4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.299 2.394 4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.470 5.046 5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.934 4.220 5.648 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.763 4.514 2.162 1.00 0.00 N ATOM 1224 CA ILE A 83 0.258 5.544 2.018 1.00 0.00 C ATOM 1225 C ILE A 83 0.891 5.882 3.364 1.00 0.00 C ATOM 1226 O ILE A 83 0.373 6.709 4.114 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.321 6.829 1.398 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.157 6.492 0.162 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.798 7.796 1.041 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.326 6.104 -1.042 1.00 0.00 C ATOM 0 H ILE A 83 -1.719 4.847 2.035 1.00 0.00 H new ATOM 0 HA ILE A 83 1.020 5.141 1.351 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.969 7.309 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.835 5.674 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.774 7.353 -0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.373 8.699 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.355 8.056 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.469 7.326 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.984 5.879 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.334 6.929 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.272 5.224 -0.803 1.00 0.00 H new ATOM 1242 N ALA A 84 2.015 5.239 3.662 1.00 0.00 N ATOM 1243 CA ALA A 84 2.721 5.474 4.915 1.00 0.00 C ATOM 1244 C ALA A 84 2.742 6.959 5.263 1.00 0.00 C ATOM 1245 O ALA A 84 3.438 7.746 4.622 1.00 0.00 O ATOM 1246 CB ALA A 84 4.139 4.929 4.833 1.00 0.00 C ATOM 0 H ALA A 84 2.456 4.551 3.052 1.00 0.00 H new ATOM 0 HA ALA A 84 2.188 4.949 5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.654 5.112 5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.106 3.857 4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.674 5.427 4.025 1.00 0.00 H new ATOM 1252 N ARG A 85 1.974 7.335 6.280 1.00 0.00 N ATOM 1253 CA ARG A 85 1.904 8.726 6.711 1.00 0.00 C ATOM 1254 C ARG A 85 3.298 9.281 6.988 1.00 0.00 C ATOM 1255 O ARG A 85 3.539 10.481 6.854 1.00 0.00 O ATOM 1256 CB ARG A 85 1.036 8.851 7.965 1.00 0.00 C ATOM 1257 CG ARG A 85 1.724 8.371 9.232 1.00 0.00 C ATOM 1258 CD ARG A 85 1.419 6.908 9.513 1.00 0.00 C ATOM 1259 NE ARG A 85 0.046 6.714 9.971 1.00 0.00 N ATOM 1260 CZ ARG A 85 -0.347 6.922 11.223 1.00 0.00 C ATOM 1261 NH1 ARG A 85 0.524 7.328 12.136 1.00 0.00 N ATOM 1262 NH2 ARG A 85 -1.614 6.723 11.564 1.00 0.00 N ATOM 0 H ARG A 85 1.391 6.696 6.821 1.00 0.00 H new ATOM 0 HA ARG A 85 1.454 9.307 5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.745 9.894 8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.119 8.279 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.801 8.507 9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.400 8.980 10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.586 6.323 8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.110 6.532 10.268 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.649 6.402 9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.499 7.482 11.878 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.219 7.487 13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.287 6.410 10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.915 6.883 12.525 1.00 0.00 H new ATOM 1276 N LYS A 86 4.214 8.399 7.375 1.00 0.00 N ATOM 1277 CA LYS A 86 5.585 8.799 7.670 1.00 0.00 C ATOM 1278 C LYS A 86 6.552 8.229 6.637 1.00 0.00 C ATOM 1279 O LYS A 86 7.439 7.445 6.972 1.00 0.00 O ATOM 1280 CB LYS A 86 5.984 8.330 9.071 1.00 0.00 C ATOM 1281 CG LYS A 86 5.415 9.190 10.186 1.00 0.00 C ATOM 1282 CD LYS A 86 6.108 10.540 10.257 1.00 0.00 C ATOM 1283 CE LYS A 86 7.478 10.429 10.908 1.00 0.00 C ATOM 1284 NZ LYS A 86 8.220 11.720 10.863 1.00 0.00 N ATOM 0 H LYS A 86 4.031 7.402 7.492 1.00 0.00 H new ATOM 0 HA LYS A 86 5.637 9.887 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.649 7.302 9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.071 8.324 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.347 9.336 10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.526 8.672 11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.213 10.949 9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.491 11.238 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.363 10.112 11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.059 9.658 10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.149 11.603 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.352 12.010 9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.678 12.450 11.368 1.00 0.00 H new ATOM 1298 N GLN A 87 6.374 8.630 5.383 1.00 0.00 N ATOM 1299 CA GLN A 87 7.233 8.159 4.302 1.00 0.00 C ATOM 1300 C GLN A 87 8.170 9.266 3.830 1.00 0.00 C ATOM 1301 O GLN A 87 7.911 9.953 2.842 1.00 0.00 O ATOM 1302 CB GLN A 87 6.386 7.658 3.131 1.00 0.00 C ATOM 1303 CG GLN A 87 5.556 8.747 2.470 1.00 0.00 C ATOM 1304 CD GLN A 87 4.293 8.210 1.827 1.00 0.00 C ATOM 1305 OE1 GLN A 87 3.276 8.900 1.757 1.00 0.00 O ATOM 1306 NE2 GLN A 87 4.351 6.970 1.354 1.00 0.00 N ATOM 0 H GLN A 87 5.644 9.279 5.090 1.00 0.00 H new ATOM 0 HA GLN A 87 7.836 7.335 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.042 7.209 2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.721 6.871 3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.289 9.497 3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.159 9.249 1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.215 6.434 1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.531 6.554 0.911 1.00 0.00 H new ATOM 1315 N PRO A 88 9.286 9.445 4.552 1.00 0.00 N ATOM 1316 CA PRO A 88 10.285 10.467 4.225 1.00 0.00 C ATOM 1317 C PRO A 88 11.048 10.144 2.945 1.00 0.00 C ATOM 1318 O PRO A 88 10.755 9.158 2.269 1.00 0.00 O ATOM 1319 CB PRO A 88 11.228 10.439 5.431 1.00 0.00 C ATOM 1320 CG PRO A 88 11.087 9.065 5.991 1.00 0.00 C ATOM 1321 CD PRO A 88 9.660 8.662 5.742 1.00 0.00 C ATOM 0 HA PRO A 88 9.828 11.440 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.257 10.642 5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.954 11.196 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.778 8.374 5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.316 9.052 7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.571 7.591 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 88 9.022 8.897 6.594 1.00 0.00 H new ATOM 1329 N MET A 89 12.027 10.981 2.618 1.00 0.00 N ATOM 1330 CA MET A 89 12.832 10.783 1.418 1.00 0.00 C ATOM 1331 C MET A 89 13.919 9.740 1.660 1.00 0.00 C ATOM 1332 O MET A 89 14.978 10.047 2.209 1.00 0.00 O ATOM 1333 CB MET A 89 13.466 12.105 0.980 1.00 0.00 C ATOM 1334 CG MET A 89 12.508 13.021 0.236 1.00 0.00 C ATOM 1335 SD MET A 89 13.355 14.357 -0.629 1.00 0.00 S ATOM 1336 CE MET A 89 14.058 13.470 -2.017 1.00 0.00 C ATOM 0 H MET A 89 12.282 11.802 3.167 1.00 0.00 H new ATOM 0 HA MET A 89 12.176 10.423 0.625 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.845 12.626 1.859 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.323 11.893 0.341 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.935 12.435 -0.482 1.00 0.00 H new ATOM 0 HG3 MET A 89 11.795 13.446 0.943 1.00 0.00 H new ATOM 0 HE1 MET A 89 14.364 14.180 -2.785 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.925 12.900 -1.683 1.00 0.00 H new ATOM 0 HE3 MET A 89 13.313 12.789 -2.429 1.00 0.00 H new ATOM 1346 N LEU A 90 13.651 8.506 1.246 1.00 0.00 N ATOM 1347 CA LEU A 90 14.606 7.417 1.418 1.00 0.00 C ATOM 1348 C LEU A 90 15.286 7.076 0.095 1.00 0.00 C ATOM 1349 O LEU A 90 14.625 6.913 -0.930 1.00 0.00 O ATOM 1350 CB LEU A 90 13.903 6.179 1.977 1.00 0.00 C ATOM 1351 CG LEU A 90 13.392 6.290 3.414 1.00 0.00 C ATOM 1352 CD1 LEU A 90 12.439 5.147 3.730 1.00 0.00 C ATOM 1353 CD2 LEU A 90 14.555 6.304 4.394 1.00 0.00 C ATOM 0 H LEU A 90 12.780 8.235 0.789 1.00 0.00 H new ATOM 0 HA LEU A 90 15.369 7.744 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.059 5.942 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.594 5.337 1.922 1.00 0.00 H new ATOM 0 HG LEU A 90 12.848 7.229 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.085 5.242 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.589 5.183 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.959 4.196 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.172 6.383 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.127 5.382 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.200 7.157 4.181 1.00 0.00 H new ATOM 1365 N ASP A 91 16.610 6.969 0.127 1.00 0.00 N ATOM 1366 CA ASP A 91 17.380 6.644 -1.068 1.00 0.00 C ATOM 1367 C ASP A 91 18.460 5.614 -0.754 1.00 0.00 C ATOM 1368 O ASP A 91 18.981 5.565 0.360 1.00 0.00 O ATOM 1369 CB ASP A 91 18.015 7.907 -1.650 1.00 0.00 C ATOM 1370 CG ASP A 91 19.301 8.288 -0.942 1.00 0.00 C ATOM 1371 OD1 ASP A 91 19.270 8.451 0.295 1.00 0.00 O ATOM 1372 OD2 ASP A 91 20.337 8.424 -1.626 1.00 0.00 O ATOM 0 H ASP A 91 17.172 7.103 0.967 1.00 0.00 H new ATOM 0 HA ASP A 91 16.699 6.217 -1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 91 18.219 7.752 -2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 91 17.306 8.732 -1.579 1.00 0.00 H new ATOM 1377 N SER A 92 18.793 4.792 -1.745 1.00 0.00 N ATOM 1378 CA SER A 92 19.808 3.760 -1.573 1.00 0.00 C ATOM 1379 C SER A 92 21.170 4.253 -2.051 1.00 0.00 C ATOM 1380 O SER A 92 22.139 4.265 -1.293 1.00 0.00 O ATOM 1381 CB SER A 92 19.414 2.495 -2.339 1.00 0.00 C ATOM 1382 OG SER A 92 18.171 1.989 -1.883 1.00 0.00 O ATOM 0 H SER A 92 18.374 4.821 -2.675 1.00 0.00 H new ATOM 0 HA SER A 92 19.877 3.527 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.351 2.716 -3.405 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.186 1.736 -2.216 1.00 0.00 H new ATOM 0 HG SER A 92 17.941 1.182 -2.389 1.00 0.00 H new ATOM 1388 N GLY A 93 21.236 4.660 -3.315 1.00 0.00 N ATOM 1389 CA GLY A 93 22.483 5.149 -3.873 1.00 0.00 C ATOM 1390 C GLY A 93 23.176 4.115 -4.737 1.00 0.00 C ATOM 1391 O GLY A 93 22.919 2.915 -4.634 1.00 0.00 O ATOM 0 H GLY A 93 20.448 4.660 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 93 22.286 6.042 -4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 93 23.149 5.446 -3.062 1.00 0.00 H new ATOM 1395 N PRO A 94 24.077 4.580 -5.616 1.00 0.00 N ATOM 1396 CA PRO A 94 24.827 3.703 -6.520 1.00 0.00 C ATOM 1397 C PRO A 94 25.846 2.843 -5.780 1.00 0.00 C ATOM 1398 O PRO A 94 26.597 2.086 -6.396 1.00 0.00 O ATOM 1399 CB PRO A 94 25.535 4.683 -7.459 1.00 0.00 C ATOM 1400 CG PRO A 94 25.652 5.943 -6.672 1.00 0.00 C ATOM 1401 CD PRO A 94 24.434 5.997 -5.793 1.00 0.00 C ATOM 0 HA PRO A 94 24.177 2.995 -7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 94 26.515 4.309 -7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 94 24.963 4.839 -8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 94 26.564 5.947 -6.075 1.00 0.00 H new ATOM 0 HG3 PRO A 94 25.697 6.811 -7.330 1.00 0.00 H new ATOM 0 HD2 PRO A 94 24.648 6.479 -4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 94 23.626 6.559 -6.261 1.00 0.00 H new ATOM 1409 N SER A 95 25.867 2.964 -4.457 1.00 0.00 N ATOM 1410 CA SER A 95 26.797 2.200 -3.634 1.00 0.00 C ATOM 1411 C SER A 95 27.014 0.805 -4.211 1.00 0.00 C ATOM 1412 O SER A 95 28.148 0.349 -4.354 1.00 0.00 O ATOM 1413 CB SER A 95 26.274 2.095 -2.200 1.00 0.00 C ATOM 1414 OG SER A 95 25.971 3.375 -1.673 1.00 0.00 O ATOM 0 H SER A 95 25.250 3.584 -3.932 1.00 0.00 H new ATOM 0 HA SER A 95 27.753 2.724 -3.628 1.00 0.00 H new ATOM 0 HB2 SER A 95 25.382 1.469 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 95 27.020 1.607 -1.572 1.00 0.00 H new ATOM 0 HG SER A 95 25.637 3.281 -0.756 1.00 0.00 H new ATOM 1420 N SER A 96 25.917 0.131 -4.541 1.00 0.00 N ATOM 1421 CA SER A 96 25.985 -1.215 -5.100 1.00 0.00 C ATOM 1422 C SER A 96 27.160 -1.343 -6.064 1.00 0.00 C ATOM 1423 O SER A 96 27.232 -0.640 -7.071 1.00 0.00 O ATOM 1424 CB SER A 96 24.679 -1.557 -5.820 1.00 0.00 C ATOM 1425 OG SER A 96 24.363 -0.579 -6.795 1.00 0.00 O ATOM 0 H SER A 96 24.970 0.495 -4.431 1.00 0.00 H new ATOM 0 HA SER A 96 26.133 -1.917 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 96 24.767 -2.534 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 96 23.868 -1.628 -5.095 1.00 0.00 H new ATOM 0 HG SER A 96 25.168 -0.354 -7.306 1.00 0.00 H new ATOM 1431 N GLY A 97 28.081 -2.249 -5.748 1.00 0.00 N ATOM 1432 CA GLY A 97 29.241 -2.455 -6.595 1.00 0.00 C ATOM 1433 C GLY A 97 30.312 -1.405 -6.376 1.00 0.00 C ATOM 1434 O GLY A 97 30.010 -0.219 -6.245 1.00 0.00 O ATOM 0 H GLY A 97 28.044 -2.844 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 97 29.659 -3.442 -6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 97 28.931 -2.441 -7.640 1.00 0.00 H new TER 1438 GLY A 97