USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 586 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 56 MET CE :methyl -176:sc= -3.37! (180deg=-3.42!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 145:sc= -1.91 (180deg=-3.76!) USER MOD Set 2.1: A 30 ASN : amide:sc= -0.0755 K(o=0.48,f=-9.6!) USER MOD Set 2.2: A 32 THR OG1 : rot 20:sc= 0.551 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0234 (180deg=0) USER MOD Single : A 2 SER OG : rot 12:sc= 0.312! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 6:sc= 0.972 USER MOD Single : A 9 ASN : amide:sc= -0.502 K(o=-0.5,f=-2.3!) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00922) USER MOD Single : A 14 SER OG : rot 50:sc= 0.64 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.602 K(o=-0.6,f=-4.8!) USER MOD Single : A 17 ASN : amide:sc= -0.381 K(o=-0.38,f=-3!) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.146 (180deg=-0.638) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 113:sc= 0.0182 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.169 USER MOD Single : A 50 MET CE :methyl -131:sc= -0.162 (180deg=-3.34!) USER MOD Single : A 52 SER OG : rot -15:sc= 0.0758! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0918 K(o=-0.092,f=-0.74) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -18:sc= 0.602 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.146 -10.300 5.134 1.00 0.00 N ATOM 2 CA GLY A 1 22.448 -11.235 6.202 1.00 0.00 C ATOM 3 C GLY A 1 22.042 -12.655 5.861 1.00 0.00 C ATOM 4 O GLY A 1 22.028 -13.040 4.692 1.00 0.00 O ATOM 0 H1 GLY A 1 22.989 -9.728 4.925 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.864 -10.825 4.282 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.368 -9.676 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.517 -11.207 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.934 -10.922 7.111 1.00 0.00 H new ATOM 8 N SER A 2 21.713 -13.437 6.884 1.00 0.00 N ATOM 9 CA SER A 2 21.310 -14.824 6.687 1.00 0.00 C ATOM 10 C SER A 2 20.322 -15.261 7.764 1.00 0.00 C ATOM 11 O SER A 2 20.592 -15.134 8.959 1.00 0.00 O ATOM 12 CB SER A 2 22.536 -15.740 6.702 1.00 0.00 C ATOM 13 OG SER A 2 22.992 -15.961 8.025 1.00 0.00 O ATOM 0 H SER A 2 21.718 -13.133 7.858 1.00 0.00 H new ATOM 0 HA SER A 2 20.820 -14.900 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.287 -16.693 6.236 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.334 -15.294 6.109 1.00 0.00 H new ATOM 0 HG SER A 2 22.319 -15.640 8.661 1.00 0.00 H new ATOM 19 N SER A 3 19.175 -15.777 7.333 1.00 0.00 N ATOM 20 CA SER A 3 18.144 -16.230 8.259 1.00 0.00 C ATOM 21 C SER A 3 17.225 -17.249 7.593 1.00 0.00 C ATOM 22 O SER A 3 16.877 -17.115 6.421 1.00 0.00 O ATOM 23 CB SER A 3 17.324 -15.040 8.763 1.00 0.00 C ATOM 24 OG SER A 3 16.615 -15.374 9.944 1.00 0.00 O ATOM 0 H SER A 3 18.937 -15.892 6.348 1.00 0.00 H new ATOM 0 HA SER A 3 18.636 -16.709 9.106 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.985 -14.195 8.958 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.623 -14.724 7.991 1.00 0.00 H new ATOM 0 HG SER A 3 16.100 -14.597 10.247 1.00 0.00 H new ATOM 30 N GLY A 4 16.836 -18.270 8.350 1.00 0.00 N ATOM 31 CA GLY A 4 15.962 -19.299 7.818 1.00 0.00 C ATOM 32 C GLY A 4 14.705 -19.477 8.646 1.00 0.00 C ATOM 33 O GLY A 4 14.566 -20.462 9.371 1.00 0.00 O ATOM 0 H GLY A 4 17.111 -18.403 9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.686 -19.044 6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.503 -20.245 7.776 1.00 0.00 H new ATOM 37 N SER A 5 13.787 -18.522 8.540 1.00 0.00 N ATOM 38 CA SER A 5 12.538 -18.575 9.290 1.00 0.00 C ATOM 39 C SER A 5 11.706 -19.784 8.874 1.00 0.00 C ATOM 40 O SER A 5 11.480 -20.018 7.687 1.00 0.00 O ATOM 41 CB SER A 5 11.734 -17.291 9.075 1.00 0.00 C ATOM 42 OG SER A 5 10.678 -17.187 10.014 1.00 0.00 O ATOM 0 H SER A 5 13.885 -17.702 7.942 1.00 0.00 H new ATOM 0 HA SER A 5 12.782 -18.670 10.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.392 -16.427 9.166 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.328 -17.278 8.064 1.00 0.00 H new ATOM 0 HG SER A 5 10.181 -16.357 9.856 1.00 0.00 H new ATOM 48 N SER A 6 11.254 -20.551 9.862 1.00 0.00 N ATOM 49 CA SER A 6 10.450 -21.739 9.600 1.00 0.00 C ATOM 50 C SER A 6 9.653 -22.140 10.837 1.00 0.00 C ATOM 51 O SER A 6 9.964 -21.722 11.952 1.00 0.00 O ATOM 52 CB SER A 6 11.345 -22.899 9.159 1.00 0.00 C ATOM 53 OG SER A 6 11.848 -22.687 7.851 1.00 0.00 O ATOM 0 H SER A 6 11.431 -20.371 10.850 1.00 0.00 H new ATOM 0 HA SER A 6 9.750 -21.504 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.175 -23.008 9.858 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.779 -23.830 9.188 1.00 0.00 H new ATOM 0 HG SER A 6 11.585 -21.796 7.540 1.00 0.00 H new ATOM 59 N GLY A 7 8.621 -22.953 10.632 1.00 0.00 N ATOM 60 CA GLY A 7 7.794 -23.396 11.739 1.00 0.00 C ATOM 61 C GLY A 7 6.386 -22.838 11.671 1.00 0.00 C ATOM 62 O GLY A 7 5.956 -22.108 12.565 1.00 0.00 O ATOM 0 H GLY A 7 8.343 -23.313 9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.750 -24.485 11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.257 -23.093 12.678 1.00 0.00 H new ATOM 66 N LEU A 8 5.667 -23.180 10.607 1.00 0.00 N ATOM 67 CA LEU A 8 4.299 -22.707 10.425 1.00 0.00 C ATOM 68 C LEU A 8 3.473 -23.719 9.637 1.00 0.00 C ATOM 69 O LEU A 8 4.017 -24.644 9.036 1.00 0.00 O ATOM 70 CB LEU A 8 4.297 -21.358 9.704 1.00 0.00 C ATOM 71 CG LEU A 8 4.604 -21.397 8.206 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.343 -20.039 7.572 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.042 -21.832 7.967 1.00 0.00 C ATOM 0 H LEU A 8 6.008 -23.782 9.858 1.00 0.00 H new ATOM 0 HA LEU A 8 3.848 -22.586 11.410 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.319 -20.896 9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.027 -20.709 10.187 1.00 0.00 H new ATOM 0 HG LEU A 8 3.943 -22.126 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.567 -20.086 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.297 -19.767 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.978 -19.289 8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.242 -21.854 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.720 -21.127 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.195 -22.827 8.385 1.00 0.00 H new ATOM 85 N ASN A 9 2.157 -23.534 9.644 1.00 0.00 N ATOM 86 CA ASN A 9 1.256 -24.430 8.928 1.00 0.00 C ATOM 87 C ASN A 9 0.544 -23.695 7.797 1.00 0.00 C ATOM 88 O ASN A 9 0.498 -24.175 6.664 1.00 0.00 O ATOM 89 CB ASN A 9 0.228 -25.028 9.890 1.00 0.00 C ATOM 90 CG ASN A 9 -0.120 -24.083 11.025 1.00 0.00 C ATOM 91 OD1 ASN A 9 0.726 -23.757 11.857 1.00 0.00 O ATOM 92 ND2 ASN A 9 -1.371 -23.639 11.063 1.00 0.00 N ATOM 0 H ASN A 9 1.691 -22.772 10.137 1.00 0.00 H new ATOM 0 HA ASN A 9 1.851 -25.235 8.496 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.678 -25.279 9.339 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.618 -25.958 10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.664 -23.001 11.803 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.039 -23.936 10.352 1.00 0.00 H new ATOM 99 N ASP A 10 -0.009 -22.529 8.112 1.00 0.00 N ATOM 100 CA ASP A 10 -0.718 -21.727 7.121 1.00 0.00 C ATOM 101 C ASP A 10 -1.723 -22.578 6.351 1.00 0.00 C ATOM 102 O ASP A 10 -1.818 -22.487 5.126 1.00 0.00 O ATOM 103 CB ASP A 10 0.274 -21.082 6.152 1.00 0.00 C ATOM 104 CG ASP A 10 0.889 -19.814 6.710 1.00 0.00 C ATOM 105 OD1 ASP A 10 1.312 -19.828 7.885 1.00 0.00 O ATOM 106 OD2 ASP A 10 0.947 -18.808 5.973 1.00 0.00 O ATOM 0 H ASP A 10 0.020 -22.118 9.045 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.262 -20.942 7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.066 -21.794 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.234 -20.854 5.215 1.00 0.00 H new ATOM 111 N LEU A 11 -2.469 -23.404 7.075 1.00 0.00 N ATOM 112 CA LEU A 11 -3.466 -24.273 6.459 1.00 0.00 C ATOM 113 C LEU A 11 -4.878 -23.799 6.789 1.00 0.00 C ATOM 114 O LEU A 11 -5.774 -24.607 7.034 1.00 0.00 O ATOM 115 CB LEU A 11 -3.276 -25.715 6.932 1.00 0.00 C ATOM 116 CG LEU A 11 -1.866 -26.288 6.791 1.00 0.00 C ATOM 117 CD1 LEU A 11 -1.781 -27.663 7.434 1.00 0.00 C ATOM 118 CD2 LEU A 11 -1.462 -26.356 5.325 1.00 0.00 C ATOM 0 H LEU A 11 -2.403 -23.491 8.089 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.331 -24.231 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.567 -25.773 7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.963 -26.352 6.375 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.172 -25.625 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.770 -28.055 7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.026 -27.585 8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.486 -28.337 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.455 -26.766 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.160 -26.996 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.481 -25.354 4.895 1.00 0.00 H new ATOM 130 N LYS A 12 -5.070 -22.484 6.790 1.00 0.00 N ATOM 131 CA LYS A 12 -6.374 -21.902 7.085 1.00 0.00 C ATOM 132 C LYS A 12 -6.776 -20.896 6.011 1.00 0.00 C ATOM 133 O LYS A 12 -5.994 -20.019 5.646 1.00 0.00 O ATOM 134 CB LYS A 12 -6.352 -21.219 8.455 1.00 0.00 C ATOM 135 CG LYS A 12 -5.277 -20.154 8.587 1.00 0.00 C ATOM 136 CD LYS A 12 -5.000 -19.819 10.043 1.00 0.00 C ATOM 137 CE LYS A 12 -3.731 -18.993 10.193 1.00 0.00 C ATOM 138 NZ LYS A 12 -3.855 -17.663 9.535 1.00 0.00 N ATOM 0 H LYS A 12 -4.339 -21.801 6.590 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.109 -22.707 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.326 -20.766 8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.200 -21.974 9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.360 -20.501 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.589 -19.253 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.845 -19.269 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.906 -20.740 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.510 -18.855 11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.891 -19.536 9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.997 -17.104 9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.973 -17.793 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.682 -17.162 9.918 1.00 0.00 H new ATOM 152 N GLU A 13 -8.001 -21.030 5.511 1.00 0.00 N ATOM 153 CA GLU A 13 -8.505 -20.131 4.479 1.00 0.00 C ATOM 154 C GLU A 13 -9.196 -18.921 5.102 1.00 0.00 C ATOM 155 O GLU A 13 -10.245 -18.482 4.631 1.00 0.00 O ATOM 156 CB GLU A 13 -9.479 -20.871 3.560 1.00 0.00 C ATOM 157 CG GLU A 13 -10.757 -21.312 4.255 1.00 0.00 C ATOM 158 CD GLU A 13 -11.525 -22.349 3.459 1.00 0.00 C ATOM 159 OE1 GLU A 13 -10.920 -23.375 3.081 1.00 0.00 O ATOM 160 OE2 GLU A 13 -12.731 -22.136 3.214 1.00 0.00 O ATOM 0 H GLU A 13 -8.661 -21.751 5.803 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.657 -19.780 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.736 -20.224 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.980 -21.747 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.511 -21.721 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.394 -20.443 4.423 1.00 0.00 H new ATOM 167 N SER A 14 -8.600 -18.388 6.163 1.00 0.00 N ATOM 168 CA SER A 14 -9.159 -17.231 6.853 1.00 0.00 C ATOM 169 C SER A 14 -8.246 -16.017 6.706 1.00 0.00 C ATOM 170 O SER A 14 -7.402 -15.754 7.562 1.00 0.00 O ATOM 171 CB SER A 14 -9.370 -17.548 8.335 1.00 0.00 C ATOM 172 OG SER A 14 -8.159 -17.961 8.946 1.00 0.00 O ATOM 0 H SER A 14 -7.730 -18.739 6.564 1.00 0.00 H new ATOM 0 HA SER A 14 -10.121 -16.997 6.398 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.757 -16.667 8.847 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.120 -18.332 8.439 1.00 0.00 H new ATOM 0 HG SER A 14 -7.449 -17.321 8.731 1.00 0.00 H new ATOM 178 N SER A 15 -8.423 -15.281 5.613 1.00 0.00 N ATOM 179 CA SER A 15 -7.614 -14.097 5.351 1.00 0.00 C ATOM 180 C SER A 15 -8.451 -12.828 5.478 1.00 0.00 C ATOM 181 O SER A 15 -9.086 -12.391 4.520 1.00 0.00 O ATOM 182 CB SER A 15 -6.996 -14.175 3.953 1.00 0.00 C ATOM 183 OG SER A 15 -5.947 -15.128 3.912 1.00 0.00 O ATOM 0 H SER A 15 -9.119 -15.484 4.895 1.00 0.00 H new ATOM 0 HA SER A 15 -6.816 -14.061 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.764 -14.443 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.613 -13.196 3.666 1.00 0.00 H new ATOM 0 HG SER A 15 -5.570 -15.160 3.008 1.00 0.00 H new ATOM 189 N ASN A 16 -8.446 -12.241 6.671 1.00 0.00 N ATOM 190 CA ASN A 16 -9.205 -11.022 6.926 1.00 0.00 C ATOM 191 C ASN A 16 -8.318 -9.788 6.779 1.00 0.00 C ATOM 192 O ASN A 16 -7.806 -9.260 7.765 1.00 0.00 O ATOM 193 CB ASN A 16 -9.816 -11.061 8.328 1.00 0.00 C ATOM 194 CG ASN A 16 -10.711 -12.267 8.535 1.00 0.00 C ATOM 195 OD1 ASN A 16 -10.625 -13.251 7.800 1.00 0.00 O ATOM 196 ND2 ASN A 16 -11.576 -12.197 9.540 1.00 0.00 N ATOM 0 H ASN A 16 -7.925 -12.590 7.476 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.006 -10.961 6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.017 -11.073 9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.392 -10.151 8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.204 -12.979 9.728 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.613 -11.362 10.124 1.00 0.00 H new ATOM 203 N ASN A 17 -8.143 -9.335 5.542 1.00 0.00 N ATOM 204 CA ASN A 17 -7.319 -8.164 5.266 1.00 0.00 C ATOM 205 C ASN A 17 -7.394 -7.782 3.791 1.00 0.00 C ATOM 206 O ASN A 17 -7.594 -8.636 2.927 1.00 0.00 O ATOM 207 CB ASN A 17 -5.866 -8.433 5.663 1.00 0.00 C ATOM 208 CG ASN A 17 -5.393 -9.807 5.230 1.00 0.00 C ATOM 209 OD1 ASN A 17 -5.747 -10.817 5.838 1.00 0.00 O ATOM 210 ND2 ASN A 17 -4.589 -9.851 4.174 1.00 0.00 N ATOM 0 H ASN A 17 -8.561 -9.761 4.715 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.702 -7.332 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.224 -7.674 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.765 -8.341 6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.239 -10.748 3.836 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.321 -8.988 3.700 1.00 0.00 H new ATOM 217 N ARG A 18 -7.230 -6.493 3.510 1.00 0.00 N ATOM 218 CA ARG A 18 -7.279 -5.998 2.140 1.00 0.00 C ATOM 219 C ARG A 18 -5.880 -5.936 1.534 1.00 0.00 C ATOM 220 O ARG A 18 -4.882 -5.895 2.253 1.00 0.00 O ATOM 221 CB ARG A 18 -7.927 -4.612 2.099 1.00 0.00 C ATOM 222 CG ARG A 18 -9.438 -4.650 1.947 1.00 0.00 C ATOM 223 CD ARG A 18 -9.970 -3.359 1.344 1.00 0.00 C ATOM 224 NE ARG A 18 -10.300 -2.372 2.369 1.00 0.00 N ATOM 225 CZ ARG A 18 -11.338 -2.484 3.190 1.00 0.00 C ATOM 226 NH1 ARG A 18 -12.143 -3.535 3.107 1.00 0.00 N ATOM 227 NH2 ARG A 18 -11.573 -1.544 4.097 1.00 0.00 N ATOM 0 H ARG A 18 -7.062 -5.773 4.213 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.881 -6.690 1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.676 -4.076 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.501 -4.046 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.720 -5.492 1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.899 -4.815 2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.226 -2.942 0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.858 -3.575 0.750 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.700 -1.552 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.966 -4.260 2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.939 -3.619 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.956 -0.734 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.370 -1.631 4.727 1.00 0.00 H new ATOM 241 N LYS A 19 -5.816 -5.929 0.207 1.00 0.00 N ATOM 242 CA LYS A 19 -4.540 -5.871 -0.497 1.00 0.00 C ATOM 243 C LYS A 19 -4.524 -4.721 -1.500 1.00 0.00 C ATOM 244 O LYS A 19 -5.512 -4.476 -2.193 1.00 0.00 O ATOM 245 CB LYS A 19 -4.272 -7.194 -1.218 1.00 0.00 C ATOM 246 CG LYS A 19 -4.005 -8.356 -0.276 1.00 0.00 C ATOM 247 CD LYS A 19 -2.527 -8.480 0.052 1.00 0.00 C ATOM 248 CE LYS A 19 -2.159 -9.904 0.437 1.00 0.00 C ATOM 249 NZ LYS A 19 -2.330 -10.849 -0.702 1.00 0.00 N ATOM 0 H LYS A 19 -6.633 -5.963 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.754 -5.699 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.129 -7.436 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.416 -7.070 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.572 -8.217 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.357 -9.282 -0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.935 -8.170 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.277 -7.805 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.125 -9.932 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.780 -10.226 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.718 -11.678 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.322 -11.156 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.069 -10.374 -1.589 1.00 0.00 H new ATOM 263 N ALA A 20 -3.397 -4.021 -1.573 1.00 0.00 N ATOM 264 CA ALA A 20 -3.252 -2.901 -2.494 1.00 0.00 C ATOM 265 C ALA A 20 -1.821 -2.796 -3.010 1.00 0.00 C ATOM 266 O ALA A 20 -0.878 -3.224 -2.344 1.00 0.00 O ATOM 267 CB ALA A 20 -3.667 -1.603 -1.815 1.00 0.00 C ATOM 0 H ALA A 20 -2.571 -4.210 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.906 -3.077 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.554 -0.774 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.708 -1.673 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.036 -1.431 -0.943 1.00 0.00 H new ATOM 273 N ARG A 21 -1.667 -2.226 -4.200 1.00 0.00 N ATOM 274 CA ARG A 21 -0.350 -2.067 -4.807 1.00 0.00 C ATOM 275 C ARG A 21 0.139 -0.628 -4.675 1.00 0.00 C ATOM 276 O ARG A 21 -0.602 0.318 -4.941 1.00 0.00 O ATOM 277 CB ARG A 21 -0.393 -2.469 -6.282 1.00 0.00 C ATOM 278 CG ARG A 21 0.726 -1.860 -7.112 1.00 0.00 C ATOM 279 CD ARG A 21 0.513 -2.104 -8.598 1.00 0.00 C ATOM 280 NE ARG A 21 0.151 -3.491 -8.879 1.00 0.00 N ATOM 281 CZ ARG A 21 -0.097 -3.952 -10.099 1.00 0.00 C ATOM 282 NH1 ARG A 21 -0.023 -3.142 -11.146 1.00 0.00 N ATOM 283 NH2 ARG A 21 -0.420 -5.227 -10.275 1.00 0.00 N ATOM 0 H ARG A 21 -2.437 -1.866 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 21 0.347 -2.719 -4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.339 -3.555 -6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.352 -2.168 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.779 -0.788 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.681 -2.286 -6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.272 -1.443 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.423 -1.850 -9.141 1.00 0.00 H new ATOM 0 HE ARG A 21 0.085 -4.141 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.225 -2.161 -11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.214 -3.500 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.478 -5.854 -9.472 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.610 -5.580 -11.213 1.00 0.00 H new ATOM 297 N VAL A 22 1.393 -0.470 -4.260 1.00 0.00 N ATOM 298 CA VAL A 22 1.982 0.853 -4.093 1.00 0.00 C ATOM 299 C VAL A 22 2.338 1.470 -5.441 1.00 0.00 C ATOM 300 O VAL A 22 2.706 0.765 -6.381 1.00 0.00 O ATOM 301 CB VAL A 22 3.247 0.798 -3.216 1.00 0.00 C ATOM 302 CG1 VAL A 22 3.949 2.147 -3.206 1.00 0.00 C ATOM 303 CG2 VAL A 22 2.896 0.360 -1.803 1.00 0.00 C ATOM 0 H VAL A 22 2.020 -1.242 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 22 1.233 1.473 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 22 3.931 0.063 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.840 2.089 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.235 2.416 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.275 2.905 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.801 0.327 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.193 1.069 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.442 -0.630 -1.831 1.00 0.00 H new ATOM 313 N LEU A 23 2.225 2.791 -5.529 1.00 0.00 N ATOM 314 CA LEU A 23 2.536 3.505 -6.762 1.00 0.00 C ATOM 315 C LEU A 23 3.891 4.199 -6.664 1.00 0.00 C ATOM 316 O LEU A 23 4.555 4.433 -7.674 1.00 0.00 O ATOM 317 CB LEU A 23 1.445 4.533 -7.068 1.00 0.00 C ATOM 318 CG LEU A 23 0.004 4.064 -6.864 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.975 5.164 -7.242 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.267 2.805 -7.674 1.00 0.00 C ATOM 0 H LEU A 23 1.920 3.389 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 23 2.580 2.777 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.613 5.409 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.558 4.856 -8.103 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.135 3.830 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.995 4.811 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.797 6.040 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.836 5.431 -8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.297 2.486 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.109 3.012 -8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.411 2.014 -7.354 1.00 0.00 H new ATOM 332 N TYR A 24 4.296 4.523 -5.441 1.00 0.00 N ATOM 333 CA TYR A 24 5.572 5.190 -5.210 1.00 0.00 C ATOM 334 C TYR A 24 6.168 4.776 -3.868 1.00 0.00 C ATOM 335 O TYR A 24 5.443 4.520 -2.906 1.00 0.00 O ATOM 336 CB TYR A 24 5.392 6.708 -5.254 1.00 0.00 C ATOM 337 CG TYR A 24 4.410 7.172 -6.305 1.00 0.00 C ATOM 338 CD1 TYR A 24 3.046 7.209 -6.041 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.845 7.573 -7.562 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.145 7.632 -6.999 1.00 0.00 C ATOM 341 CE2 TYR A 24 3.951 7.998 -8.526 1.00 0.00 C ATOM 342 CZ TYR A 24 2.602 8.025 -8.239 1.00 0.00 C ATOM 343 OH TYR A 24 1.707 8.448 -9.196 1.00 0.00 O ATOM 0 H TYR A 24 3.759 4.335 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 24 6.259 4.889 -6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.055 7.054 -4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.359 7.175 -5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.684 6.902 -5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.901 7.552 -7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.088 7.655 -6.778 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.306 8.307 -9.498 1.00 0.00 H new ATOM 0 HH TYR A 24 2.192 8.690 -10.013 1.00 0.00 H new ATOM 353 N ASP A 25 7.493 4.712 -3.812 1.00 0.00 N ATOM 354 CA ASP A 25 8.189 4.331 -2.588 1.00 0.00 C ATOM 355 C ASP A 25 7.985 5.378 -1.498 1.00 0.00 C ATOM 356 O ASP A 25 8.403 6.527 -1.639 1.00 0.00 O ATOM 357 CB ASP A 25 9.683 4.147 -2.862 1.00 0.00 C ATOM 358 CG ASP A 25 9.957 3.657 -4.270 1.00 0.00 C ATOM 359 OD1 ASP A 25 9.633 4.390 -5.228 1.00 0.00 O ATOM 360 OD2 ASP A 25 10.497 2.540 -4.414 1.00 0.00 O ATOM 0 H ASP A 25 8.107 4.919 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 25 7.771 3.386 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.198 5.095 -2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.096 3.436 -2.146 1.00 0.00 H new ATOM 365 N TYR A 26 7.337 4.973 -0.411 1.00 0.00 N ATOM 366 CA TYR A 26 7.073 5.877 0.703 1.00 0.00 C ATOM 367 C TYR A 26 8.069 5.650 1.836 1.00 0.00 C ATOM 368 O TYR A 26 8.554 4.536 2.038 1.00 0.00 O ATOM 369 CB TYR A 26 5.646 5.684 1.216 1.00 0.00 C ATOM 370 CG TYR A 26 5.348 6.455 2.483 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.067 7.815 2.441 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.348 5.823 3.720 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.795 8.523 3.596 1.00 0.00 C ATOM 374 CE2 TYR A 26 5.076 6.523 4.880 1.00 0.00 C ATOM 375 CZ TYR A 26 4.801 7.873 4.812 1.00 0.00 C ATOM 376 OH TYR A 26 4.529 8.575 5.964 1.00 0.00 O ATOM 0 H TYR A 26 6.985 4.025 -0.277 1.00 0.00 H new ATOM 0 HA TYR A 26 7.187 6.900 0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.945 5.992 0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.475 4.623 1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.061 8.327 1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.564 4.766 3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.579 9.580 3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.079 6.016 5.834 1.00 0.00 H new ATOM 0 HH TYR A 26 3.679 8.267 6.342 1.00 0.00 H new ATOM 386 N ASP A 27 8.367 6.713 2.574 1.00 0.00 N ATOM 387 CA ASP A 27 9.303 6.632 3.689 1.00 0.00 C ATOM 388 C ASP A 27 8.637 7.065 4.991 1.00 0.00 C ATOM 389 O ASP A 27 8.408 8.253 5.218 1.00 0.00 O ATOM 390 CB ASP A 27 10.531 7.502 3.417 1.00 0.00 C ATOM 391 CG ASP A 27 11.632 6.743 2.702 1.00 0.00 C ATOM 392 OD1 ASP A 27 11.891 5.580 3.077 1.00 0.00 O ATOM 393 OD2 ASP A 27 12.233 7.311 1.767 1.00 0.00 O ATOM 0 H ASP A 27 7.974 7.642 2.420 1.00 0.00 H new ATOM 0 HA ASP A 27 9.618 5.594 3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.237 8.362 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.915 7.889 4.361 1.00 0.00 H new ATOM 398 N ALA A 28 8.325 6.093 5.843 1.00 0.00 N ATOM 399 CA ALA A 28 7.686 6.374 7.122 1.00 0.00 C ATOM 400 C ALA A 28 8.469 7.418 7.910 1.00 0.00 C ATOM 401 O ALA A 28 9.654 7.238 8.190 1.00 0.00 O ATOM 402 CB ALA A 28 7.544 5.094 7.933 1.00 0.00 C ATOM 0 H ALA A 28 8.505 5.104 5.670 1.00 0.00 H new ATOM 0 HA ALA A 28 6.693 6.778 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.065 5.318 8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.935 4.379 7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.530 4.667 8.114 1.00 0.00 H new ATOM 408 N ALA A 29 7.800 8.510 8.265 1.00 0.00 N ATOM 409 CA ALA A 29 8.434 9.582 9.022 1.00 0.00 C ATOM 410 C ALA A 29 8.699 9.155 10.462 1.00 0.00 C ATOM 411 O ALA A 29 9.751 9.456 11.024 1.00 0.00 O ATOM 412 CB ALA A 29 7.568 10.833 8.991 1.00 0.00 C ATOM 0 H ALA A 29 6.819 8.675 8.040 1.00 0.00 H new ATOM 0 HA ALA A 29 9.393 9.805 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.053 11.626 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.434 11.157 7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.595 10.613 9.432 1.00 0.00 H new ATOM 418 N ASN A 30 7.737 8.453 11.052 1.00 0.00 N ATOM 419 CA ASN A 30 7.867 7.986 12.428 1.00 0.00 C ATOM 420 C ASN A 30 7.539 6.500 12.531 1.00 0.00 C ATOM 421 O ASN A 30 7.153 5.869 11.547 1.00 0.00 O ATOM 422 CB ASN A 30 6.945 8.788 13.350 1.00 0.00 C ATOM 423 CG ASN A 30 5.554 8.958 12.771 1.00 0.00 C ATOM 424 OD1 ASN A 30 5.103 8.147 11.963 1.00 0.00 O ATOM 425 ND2 ASN A 30 4.867 10.017 13.184 1.00 0.00 N ATOM 0 H ASN A 30 6.860 8.195 10.600 1.00 0.00 H new ATOM 0 HA ASN A 30 8.901 8.135 12.740 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.875 8.286 14.315 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.382 9.770 13.532 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.925 10.184 12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.281 10.663 13.856 1.00 0.00 H new ATOM 432 N SER A 31 7.695 5.946 13.729 1.00 0.00 N ATOM 433 CA SER A 31 7.419 4.533 13.960 1.00 0.00 C ATOM 434 C SER A 31 5.999 4.180 13.531 1.00 0.00 C ATOM 435 O SER A 31 5.781 3.222 12.788 1.00 0.00 O ATOM 436 CB SER A 31 7.618 4.188 15.438 1.00 0.00 C ATOM 437 OG SER A 31 8.992 4.025 15.743 1.00 0.00 O ATOM 0 H SER A 31 8.011 6.454 14.555 1.00 0.00 H new ATOM 0 HA SER A 31 8.117 3.949 13.360 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.196 4.978 16.059 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.078 3.272 15.677 1.00 0.00 H new ATOM 0 HG SER A 31 9.093 3.807 16.693 1.00 0.00 H new ATOM 443 N THR A 32 5.032 4.961 14.004 1.00 0.00 N ATOM 444 CA THR A 32 3.632 4.731 13.671 1.00 0.00 C ATOM 445 C THR A 32 3.453 4.505 12.174 1.00 0.00 C ATOM 446 O THR A 32 2.581 3.746 11.752 1.00 0.00 O ATOM 447 CB THR A 32 2.749 5.915 14.109 1.00 0.00 C ATOM 448 OG1 THR A 32 3.346 7.150 13.699 1.00 0.00 O ATOM 449 CG2 THR A 32 2.555 5.916 15.618 1.00 0.00 C ATOM 0 H THR A 32 5.194 5.758 14.619 1.00 0.00 H new ATOM 0 HA THR A 32 3.321 3.836 14.210 1.00 0.00 H new ATOM 0 HB THR A 32 1.774 5.808 13.633 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.991 6.979 12.981 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.928 6.761 15.904 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.073 4.987 15.924 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.524 6.001 16.109 1.00 0.00 H new ATOM 457 N GLU A 33 4.284 5.169 11.376 1.00 0.00 N ATOM 458 CA GLU A 33 4.216 5.039 9.925 1.00 0.00 C ATOM 459 C GLU A 33 5.139 3.927 9.434 1.00 0.00 C ATOM 460 O GLU A 33 6.130 3.594 10.087 1.00 0.00 O ATOM 461 CB GLU A 33 4.590 6.362 9.254 1.00 0.00 C ATOM 462 CG GLU A 33 3.563 7.462 9.461 1.00 0.00 C ATOM 463 CD GLU A 33 4.103 8.837 9.120 1.00 0.00 C ATOM 464 OE1 GLU A 33 5.212 9.170 9.587 1.00 0.00 O ATOM 465 OE2 GLU A 33 3.417 9.579 8.386 1.00 0.00 O ATOM 0 H GLU A 33 5.011 5.802 11.710 1.00 0.00 H new ATOM 0 HA GLU A 33 3.191 4.781 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.552 6.697 9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.719 6.194 8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.687 7.257 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.231 7.453 10.499 1.00 0.00 H new ATOM 472 N LEU A 34 4.808 3.357 8.281 1.00 0.00 N ATOM 473 CA LEU A 34 5.606 2.283 7.702 1.00 0.00 C ATOM 474 C LEU A 34 6.117 2.669 6.317 1.00 0.00 C ATOM 475 O LEU A 34 5.457 3.407 5.585 1.00 0.00 O ATOM 476 CB LEU A 34 4.781 0.998 7.613 1.00 0.00 C ATOM 477 CG LEU A 34 4.872 0.058 8.816 1.00 0.00 C ATOM 478 CD1 LEU A 34 4.060 -1.205 8.569 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.323 -0.289 9.113 1.00 0.00 C ATOM 0 H LEU A 34 3.992 3.621 7.729 1.00 0.00 H new ATOM 0 HA LEU A 34 6.465 2.112 8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.736 1.270 7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.094 0.450 6.724 1.00 0.00 H new ATOM 0 HG LEU A 34 4.456 0.569 9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.136 -1.862 9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.015 -0.940 8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.446 -1.719 7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.369 -0.959 9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.764 -0.780 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.877 0.623 9.334 1.00 0.00 H new ATOM 491 N SER A 35 7.294 2.164 5.964 1.00 0.00 N ATOM 492 CA SER A 35 7.894 2.458 4.668 1.00 0.00 C ATOM 493 C SER A 35 7.288 1.579 3.577 1.00 0.00 C ATOM 494 O SER A 35 7.030 0.394 3.791 1.00 0.00 O ATOM 495 CB SER A 35 9.409 2.249 4.724 1.00 0.00 C ATOM 496 OG SER A 35 9.740 0.878 4.586 1.00 0.00 O ATOM 0 H SER A 35 7.851 1.549 6.557 1.00 0.00 H new ATOM 0 HA SER A 35 7.687 3.501 4.428 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.888 2.824 3.931 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.797 2.627 5.670 1.00 0.00 H new ATOM 0 HG SER A 35 10.713 0.771 4.623 1.00 0.00 H new ATOM 502 N LEU A 36 7.064 2.168 2.408 1.00 0.00 N ATOM 503 CA LEU A 36 6.488 1.441 1.282 1.00 0.00 C ATOM 504 C LEU A 36 7.376 1.558 0.047 1.00 0.00 C ATOM 505 O LEU A 36 8.042 2.573 -0.157 1.00 0.00 O ATOM 506 CB LEU A 36 5.087 1.970 0.970 1.00 0.00 C ATOM 507 CG LEU A 36 4.174 2.203 2.174 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.849 2.804 1.731 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.946 0.903 2.931 1.00 0.00 C ATOM 0 H LEU A 36 7.273 3.148 2.215 1.00 0.00 H new ATOM 0 HA LEU A 36 6.418 0.389 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.188 2.911 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.596 1.266 0.298 1.00 0.00 H new ATOM 0 HG LEU A 36 4.663 2.909 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.212 2.963 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.030 3.758 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.354 2.123 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.294 1.089 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.479 0.174 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.902 0.514 3.282 1.00 0.00 H new ATOM 521 N LEU A 37 7.378 0.514 -0.775 1.00 0.00 N ATOM 522 CA LEU A 37 8.181 0.501 -1.992 1.00 0.00 C ATOM 523 C LEU A 37 7.311 0.738 -3.222 1.00 0.00 C ATOM 524 O LEU A 37 6.084 0.664 -3.150 1.00 0.00 O ATOM 525 CB LEU A 37 8.919 -0.833 -2.125 1.00 0.00 C ATOM 526 CG LEU A 37 10.250 -0.940 -1.381 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.697 -2.391 -1.293 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.314 -0.094 -2.065 1.00 0.00 C ATOM 0 H LEU A 37 6.833 -0.334 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 37 8.910 1.308 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.262 -1.626 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.101 -1.021 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 37 10.109 -0.562 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.646 -2.448 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.945 -2.971 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.820 -2.795 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.254 -0.183 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.453 -0.442 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.998 0.949 -2.076 1.00 0.00 H new ATOM 540 N ALA A 38 7.954 1.021 -4.350 1.00 0.00 N ATOM 541 CA ALA A 38 7.238 1.265 -5.596 1.00 0.00 C ATOM 542 C ALA A 38 6.996 -0.037 -6.354 1.00 0.00 C ATOM 543 O ALA A 38 7.906 -0.850 -6.516 1.00 0.00 O ATOM 544 CB ALA A 38 8.010 2.247 -6.465 1.00 0.00 C ATOM 0 H ALA A 38 8.969 1.087 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 38 6.268 1.698 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.464 2.420 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.127 3.190 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.993 1.835 -6.694 1.00 0.00 H new ATOM 550 N ASP A 39 5.765 -0.227 -6.815 1.00 0.00 N ATOM 551 CA ASP A 39 5.403 -1.430 -7.555 1.00 0.00 C ATOM 552 C ASP A 39 5.352 -2.643 -6.631 1.00 0.00 C ATOM 553 O ASP A 39 5.668 -3.759 -7.040 1.00 0.00 O ATOM 554 CB ASP A 39 6.402 -1.677 -8.687 1.00 0.00 C ATOM 555 CG ASP A 39 6.702 -0.420 -9.480 1.00 0.00 C ATOM 556 OD1 ASP A 39 5.811 0.038 -10.224 1.00 0.00 O ATOM 557 OD2 ASP A 39 7.829 0.104 -9.356 1.00 0.00 O ATOM 0 H ASP A 39 5.001 0.437 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 39 4.411 -1.280 -7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.329 -2.070 -8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.006 -2.440 -9.357 1.00 0.00 H new ATOM 562 N GLU A 40 4.953 -2.413 -5.384 1.00 0.00 N ATOM 563 CA GLU A 40 4.863 -3.487 -4.402 1.00 0.00 C ATOM 564 C GLU A 40 3.427 -3.661 -3.916 1.00 0.00 C ATOM 565 O GLU A 40 2.528 -2.925 -4.324 1.00 0.00 O ATOM 566 CB GLU A 40 5.784 -3.201 -3.214 1.00 0.00 C ATOM 567 CG GLU A 40 5.111 -2.422 -2.096 1.00 0.00 C ATOM 568 CD GLU A 40 5.972 -2.324 -0.852 1.00 0.00 C ATOM 569 OE1 GLU A 40 6.966 -3.075 -0.758 1.00 0.00 O ATOM 570 OE2 GLU A 40 5.652 -1.497 0.027 1.00 0.00 O ATOM 0 H GLU A 40 4.687 -1.494 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 40 5.180 -4.412 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.153 -4.146 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.652 -2.642 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.874 -1.418 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.166 -2.902 -1.842 1.00 0.00 H new ATOM 577 N VAL A 41 3.218 -4.641 -3.043 1.00 0.00 N ATOM 578 CA VAL A 41 1.892 -4.912 -2.500 1.00 0.00 C ATOM 579 C VAL A 41 1.977 -5.396 -1.057 1.00 0.00 C ATOM 580 O VAL A 41 2.712 -6.335 -0.749 1.00 0.00 O ATOM 581 CB VAL A 41 1.147 -5.966 -3.340 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.021 -6.546 -2.557 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.672 -5.362 -4.653 1.00 0.00 C ATOM 0 H VAL A 41 3.950 -5.261 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 41 1.339 -3.974 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 41 1.838 -6.777 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.535 -7.289 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.349 -7.018 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.716 -5.748 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.148 -6.121 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.003 -4.531 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.531 -5.001 -5.219 1.00 0.00 H new ATOM 593 N ILE A 42 1.222 -4.749 -0.176 1.00 0.00 N ATOM 594 CA ILE A 42 1.211 -5.115 1.235 1.00 0.00 C ATOM 595 C ILE A 42 -0.216 -5.224 1.763 1.00 0.00 C ATOM 596 O ILE A 42 -1.177 -4.926 1.054 1.00 0.00 O ATOM 597 CB ILE A 42 1.985 -4.092 2.087 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.308 -2.721 2.019 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.430 -3.999 1.620 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.635 -1.827 3.194 1.00 0.00 C ATOM 0 H ILE A 42 0.610 -3.969 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 42 1.700 -6.086 1.314 1.00 0.00 H new ATOM 0 HB ILE A 42 1.979 -4.427 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.609 -2.222 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.228 -2.860 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.964 -3.272 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.907 -4.974 1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.456 -3.684 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.121 -0.873 3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.309 -2.306 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.711 -1.657 3.234 1.00 0.00 H new ATOM 612 N THR A 43 -0.346 -5.652 3.015 1.00 0.00 N ATOM 613 CA THR A 43 -1.654 -5.800 3.640 1.00 0.00 C ATOM 614 C THR A 43 -2.113 -4.492 4.273 1.00 0.00 C ATOM 615 O THR A 43 -1.409 -3.909 5.097 1.00 0.00 O ATOM 616 CB THR A 43 -1.641 -6.901 4.717 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.451 -8.182 4.106 1.00 0.00 O ATOM 618 CG2 THR A 43 -2.940 -6.899 5.509 1.00 0.00 C ATOM 0 H THR A 43 0.439 -5.902 3.616 1.00 0.00 H new ATOM 0 HA THR A 43 -2.350 -6.082 2.850 1.00 0.00 H new ATOM 0 HB THR A 43 -0.817 -6.699 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.442 -8.876 4.798 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.907 -7.685 6.264 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.067 -5.933 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.778 -7.078 4.835 1.00 0.00 H new ATOM 626 N VAL A 44 -3.299 -4.034 3.882 1.00 0.00 N ATOM 627 CA VAL A 44 -3.852 -2.794 4.413 1.00 0.00 C ATOM 628 C VAL A 44 -5.244 -3.018 4.994 1.00 0.00 C ATOM 629 O VAL A 44 -6.039 -3.785 4.450 1.00 0.00 O ATOM 630 CB VAL A 44 -3.930 -1.704 3.328 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.539 -1.356 2.820 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.827 -2.154 2.185 1.00 0.00 C ATOM 0 H VAL A 44 -3.894 -4.503 3.200 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.180 -2.461 5.204 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.365 -0.807 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.614 -0.584 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.931 -0.989 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.074 -2.245 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.871 -1.372 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.424 -3.065 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.830 -2.348 2.565 1.00 0.00 H new ATOM 642 N PHE A 45 -5.532 -2.344 6.102 1.00 0.00 N ATOM 643 CA PHE A 45 -6.829 -2.469 6.758 1.00 0.00 C ATOM 644 C PHE A 45 -7.170 -1.201 7.536 1.00 0.00 C ATOM 645 O PHE A 45 -6.292 -0.558 8.110 1.00 0.00 O ATOM 646 CB PHE A 45 -6.833 -3.675 7.699 1.00 0.00 C ATOM 647 CG PHE A 45 -5.598 -3.779 8.547 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.355 -3.961 7.964 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.681 -3.694 9.928 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.216 -4.056 8.742 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.546 -3.788 10.710 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.312 -3.970 10.117 1.00 0.00 C ATOM 0 H PHE A 45 -4.885 -1.706 6.565 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.586 -2.615 5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.706 -3.615 8.349 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.936 -4.586 7.109 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.274 -4.030 6.889 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.643 -3.553 10.398 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.252 -4.197 8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.624 -3.719 11.785 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.424 -4.045 10.727 1.00 0.00 H new ATOM 662 N SER A 46 -8.451 -0.849 7.549 1.00 0.00 N ATOM 663 CA SER A 46 -8.909 0.344 8.252 1.00 0.00 C ATOM 664 C SER A 46 -9.033 0.078 9.749 1.00 0.00 C ATOM 665 O SER A 46 -9.230 -1.061 10.175 1.00 0.00 O ATOM 666 CB SER A 46 -10.254 0.808 7.691 1.00 0.00 C ATOM 667 OG SER A 46 -10.220 0.877 6.276 1.00 0.00 O ATOM 0 H SER A 46 -9.191 -1.373 7.081 1.00 0.00 H new ATOM 0 HA SER A 46 -8.170 1.131 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.039 0.121 8.006 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.504 1.787 8.100 1.00 0.00 H new ATOM 0 HG SER A 46 -11.092 1.174 5.942 1.00 0.00 H new ATOM 673 N VAL A 47 -8.918 1.137 10.544 1.00 0.00 N ATOM 674 CA VAL A 47 -9.019 1.020 11.994 1.00 0.00 C ATOM 675 C VAL A 47 -9.764 2.208 12.591 1.00 0.00 C ATOM 676 O VAL A 47 -9.579 3.348 12.165 1.00 0.00 O ATOM 677 CB VAL A 47 -7.627 0.920 12.647 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.750 0.497 14.103 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.745 -0.050 11.874 1.00 0.00 C ATOM 0 H VAL A 47 -8.755 2.086 10.208 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.576 0.106 12.200 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.159 1.904 12.618 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.757 0.432 14.548 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.344 1.232 14.647 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.238 -0.476 14.159 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.766 -0.109 12.349 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.206 -1.038 11.871 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.631 0.301 10.848 1.00 0.00 H new ATOM 689 N VAL A 48 -10.608 1.934 13.580 1.00 0.00 N ATOM 690 CA VAL A 48 -11.381 2.981 14.238 1.00 0.00 C ATOM 691 C VAL A 48 -10.500 4.173 14.594 1.00 0.00 C ATOM 692 O VAL A 48 -9.425 4.014 15.171 1.00 0.00 O ATOM 693 CB VAL A 48 -12.059 2.457 15.518 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.509 3.615 16.396 1.00 0.00 C ATOM 695 CG2 VAL A 48 -13.233 1.556 15.168 1.00 0.00 C ATOM 0 H VAL A 48 -10.774 0.996 13.944 1.00 0.00 H new ATOM 0 HA VAL A 48 -12.149 3.299 13.533 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.333 1.868 16.078 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.986 3.226 17.296 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.644 4.217 16.675 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.220 4.233 15.847 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.700 1.195 16.084 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.963 2.119 14.586 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.879 0.708 14.583 1.00 0.00 H new ATOM 705 N GLY A 49 -10.964 5.369 14.246 1.00 0.00 N ATOM 706 CA GLY A 49 -10.206 6.572 14.537 1.00 0.00 C ATOM 707 C GLY A 49 -9.105 6.823 13.525 1.00 0.00 C ATOM 708 O GLY A 49 -8.284 7.722 13.702 1.00 0.00 O ATOM 0 H GLY A 49 -11.851 5.527 13.768 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.881 7.428 14.555 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.769 6.490 15.532 1.00 0.00 H new ATOM 712 N MET A 50 -9.086 6.024 12.463 1.00 0.00 N ATOM 713 CA MET A 50 -8.077 6.164 11.420 1.00 0.00 C ATOM 714 C MET A 50 -8.576 7.070 10.299 1.00 0.00 C ATOM 715 O MET A 50 -9.752 7.036 9.937 1.00 0.00 O ATOM 716 CB MET A 50 -7.703 4.792 10.855 1.00 0.00 C ATOM 717 CG MET A 50 -6.667 4.854 9.745 1.00 0.00 C ATOM 718 SD MET A 50 -5.023 5.277 10.352 1.00 0.00 S ATOM 719 CE MET A 50 -4.179 3.708 10.166 1.00 0.00 C ATOM 0 H MET A 50 -9.758 5.273 12.302 1.00 0.00 H new ATOM 0 HA MET A 50 -7.192 6.619 11.864 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.321 4.167 11.663 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.602 4.307 10.475 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.626 3.890 9.238 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.977 5.591 9.004 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.656 3.464 11.091 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.907 2.928 9.944 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.460 3.776 9.350 1.00 0.00 H new ATOM 729 N ASP A 51 -7.674 7.879 9.753 1.00 0.00 N ATOM 730 CA ASP A 51 -8.023 8.794 8.672 1.00 0.00 C ATOM 731 C ASP A 51 -8.260 8.033 7.372 1.00 0.00 C ATOM 732 O ASP A 51 -7.606 7.026 7.102 1.00 0.00 O ATOM 733 CB ASP A 51 -6.916 9.831 8.476 1.00 0.00 C ATOM 734 CG ASP A 51 -6.148 10.107 9.754 1.00 0.00 C ATOM 735 OD1 ASP A 51 -5.280 9.284 10.114 1.00 0.00 O ATOM 736 OD2 ASP A 51 -6.414 11.145 10.394 1.00 0.00 O ATOM 0 H ASP A 51 -6.696 7.920 10.041 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.945 9.306 8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.225 9.480 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.353 10.760 8.110 1.00 0.00 H new ATOM 741 N SER A 52 -9.201 8.522 6.570 1.00 0.00 N ATOM 742 CA SER A 52 -9.529 7.885 5.299 1.00 0.00 C ATOM 743 C SER A 52 -8.348 7.957 4.335 1.00 0.00 C ATOM 744 O SER A 52 -8.322 7.267 3.316 1.00 0.00 O ATOM 745 CB SER A 52 -10.755 8.551 4.672 1.00 0.00 C ATOM 746 OG SER A 52 -10.888 8.193 3.307 1.00 0.00 O ATOM 0 H SER A 52 -9.749 9.357 6.777 1.00 0.00 H new ATOM 0 HA SER A 52 -9.754 6.836 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.652 8.256 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.670 9.634 4.760 1.00 0.00 H new ATOM 0 HG SER A 52 -10.050 7.797 2.990 1.00 0.00 H new ATOM 752 N ASP A 53 -7.374 8.797 4.665 1.00 0.00 N ATOM 753 CA ASP A 53 -6.189 8.960 3.831 1.00 0.00 C ATOM 754 C ASP A 53 -5.013 8.170 4.396 1.00 0.00 C ATOM 755 O ASP A 53 -3.864 8.389 4.012 1.00 0.00 O ATOM 756 CB ASP A 53 -5.819 10.440 3.717 1.00 0.00 C ATOM 757 CG ASP A 53 -6.960 11.283 3.184 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.296 11.139 1.989 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.517 12.087 3.960 1.00 0.00 O ATOM 0 H ASP A 53 -7.381 9.376 5.505 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.418 8.574 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.522 10.814 4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.955 10.546 3.060 1.00 0.00 H new ATOM 764 N TRP A 54 -5.308 7.253 5.310 1.00 0.00 N ATOM 765 CA TRP A 54 -4.275 6.432 5.930 1.00 0.00 C ATOM 766 C TRP A 54 -4.841 5.087 6.373 1.00 0.00 C ATOM 767 O TRP A 54 -5.797 5.030 7.148 1.00 0.00 O ATOM 768 CB TRP A 54 -3.663 7.161 7.127 1.00 0.00 C ATOM 769 CG TRP A 54 -2.846 8.357 6.740 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.300 9.628 6.533 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.433 8.391 6.512 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.255 10.451 6.190 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.098 9.717 6.171 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.418 7.433 6.565 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.208 10.104 5.884 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.878 7.819 6.279 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.182 9.145 5.943 1.00 0.00 C ATOM 0 H TRP A 54 -6.254 7.059 5.638 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.497 6.251 5.188 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.462 7.477 7.798 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.035 6.466 7.684 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.330 9.940 6.625 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.328 11.447 5.983 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.642 6.409 6.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.444 11.125 5.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.670 7.086 6.315 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.205 9.415 5.726 1.00 0.00 H new ATOM 788 N LEU A 55 -4.246 4.008 5.878 1.00 0.00 N ATOM 789 CA LEU A 55 -4.692 2.662 6.224 1.00 0.00 C ATOM 790 C LEU A 55 -3.664 1.957 7.104 1.00 0.00 C ATOM 791 O LEU A 55 -2.539 2.431 7.262 1.00 0.00 O ATOM 792 CB LEU A 55 -4.941 1.844 4.956 1.00 0.00 C ATOM 793 CG LEU A 55 -6.350 1.930 4.368 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.359 1.441 2.928 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.330 1.127 5.212 1.00 0.00 C ATOM 0 H LEU A 55 -3.454 4.038 5.236 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.624 2.747 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.231 2.166 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.723 0.798 5.173 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.663 2.974 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.370 1.510 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.689 2.058 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.025 0.404 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.328 1.199 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.019 0.082 5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.346 1.523 6.227 1.00 0.00 H new ATOM 807 N MET A 56 -4.058 0.822 7.672 1.00 0.00 N ATOM 808 CA MET A 56 -3.169 0.050 8.532 1.00 0.00 C ATOM 809 C MET A 56 -2.328 -0.922 7.712 1.00 0.00 C ATOM 810 O MET A 56 -2.802 -1.984 7.313 1.00 0.00 O ATOM 811 CB MET A 56 -3.978 -0.716 9.581 1.00 0.00 C ATOM 812 CG MET A 56 -3.250 -0.888 10.904 1.00 0.00 C ATOM 813 SD MET A 56 -1.482 -1.172 10.692 1.00 0.00 S ATOM 814 CE MET A 56 -0.824 -0.273 12.094 1.00 0.00 C ATOM 0 H MET A 56 -4.986 0.417 7.552 1.00 0.00 H new ATOM 0 HA MET A 56 -2.499 0.745 9.037 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.917 -0.191 9.758 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.232 -1.699 9.185 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.400 0.002 11.515 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.686 -1.726 11.448 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.265 -0.295 12.061 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.168 0.761 12.057 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.169 -0.737 13.018 1.00 0.00 H new ATOM 824 N GLY A 57 -1.075 -0.551 7.464 1.00 0.00 N ATOM 825 CA GLY A 57 -0.188 -1.402 6.693 1.00 0.00 C ATOM 826 C GLY A 57 0.607 -2.353 7.565 1.00 0.00 C ATOM 827 O GLY A 57 0.968 -2.015 8.692 1.00 0.00 O ATOM 0 H GLY A 57 -0.659 0.324 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.774 -1.976 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.499 -0.780 6.119 1.00 0.00 H new ATOM 831 N GLU A 58 0.879 -3.545 7.043 1.00 0.00 N ATOM 832 CA GLU A 58 1.635 -4.548 7.784 1.00 0.00 C ATOM 833 C GLU A 58 2.674 -5.217 6.889 1.00 0.00 C ATOM 834 O GLU A 58 2.331 -5.986 5.990 1.00 0.00 O ATOM 835 CB GLU A 58 0.691 -5.602 8.366 1.00 0.00 C ATOM 836 CG GLU A 58 1.370 -6.561 9.329 1.00 0.00 C ATOM 837 CD GLU A 58 0.385 -7.469 10.040 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.275 -6.998 10.990 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.274 -8.649 9.647 1.00 0.00 O ATOM 0 H GLU A 58 0.587 -3.839 6.111 1.00 0.00 H new ATOM 0 HA GLU A 58 2.154 -4.046 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.127 -5.100 8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.249 -6.173 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.090 -7.170 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.932 -5.990 10.069 1.00 0.00 H new ATOM 846 N ARG A 59 3.944 -4.920 7.141 1.00 0.00 N ATOM 847 CA ARG A 59 5.033 -5.491 6.358 1.00 0.00 C ATOM 848 C ARG A 59 5.909 -6.392 7.222 1.00 0.00 C ATOM 849 O ARG A 59 6.521 -5.939 8.189 1.00 0.00 O ATOM 850 CB ARG A 59 5.881 -4.379 5.738 1.00 0.00 C ATOM 851 CG ARG A 59 6.517 -4.765 4.413 1.00 0.00 C ATOM 852 CD ARG A 59 7.125 -3.559 3.714 1.00 0.00 C ATOM 853 NE ARG A 59 8.271 -3.926 2.887 1.00 0.00 N ATOM 854 CZ ARG A 59 9.166 -3.051 2.442 1.00 0.00 C ATOM 855 NH1 ARG A 59 9.048 -1.765 2.744 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.182 -3.461 1.694 1.00 0.00 N ATOM 0 H ARG A 59 4.245 -4.287 7.882 1.00 0.00 H new ATOM 0 HA ARG A 59 4.597 -6.093 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.257 -3.498 5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.666 -4.098 6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.289 -5.515 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.767 -5.221 3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.368 -3.080 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.435 -2.827 4.459 1.00 0.00 H new ATOM 0 HE ARG A 59 8.391 -4.908 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.269 -1.446 3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.737 -1.095 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.277 -4.449 1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.868 -2.788 1.353 1.00 0.00 H new ATOM 870 N GLY A 60 5.965 -7.672 6.866 1.00 0.00 N ATOM 871 CA GLY A 60 6.769 -8.617 7.620 1.00 0.00 C ATOM 872 C GLY A 60 6.344 -8.711 9.072 1.00 0.00 C ATOM 873 O GLY A 60 5.278 -9.243 9.380 1.00 0.00 O ATOM 0 H GLY A 60 5.468 -8.071 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.695 -9.602 7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.816 -8.319 7.570 1.00 0.00 H new ATOM 877 N ASN A 61 7.181 -8.196 9.966 1.00 0.00 N ATOM 878 CA ASN A 61 6.887 -8.226 11.395 1.00 0.00 C ATOM 879 C ASN A 61 6.758 -6.813 11.954 1.00 0.00 C ATOM 880 O ASN A 61 7.254 -6.518 13.041 1.00 0.00 O ATOM 881 CB ASN A 61 7.982 -8.986 12.146 1.00 0.00 C ATOM 882 CG ASN A 61 8.021 -10.457 11.777 1.00 0.00 C ATOM 883 OD1 ASN A 61 8.998 -10.938 11.202 1.00 0.00 O ATOM 884 ND2 ASN A 61 6.957 -11.179 12.108 1.00 0.00 N ATOM 0 H ASN A 61 8.068 -7.753 9.727 1.00 0.00 H new ATOM 0 HA ASN A 61 5.936 -8.740 11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.949 -8.534 11.928 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.818 -8.887 13.219 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.927 -12.174 11.886 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.170 -10.738 12.584 1.00 0.00 H new ATOM 891 N GLN A 62 6.089 -5.944 11.203 1.00 0.00 N ATOM 892 CA GLN A 62 5.895 -4.561 11.624 1.00 0.00 C ATOM 893 C GLN A 62 4.516 -4.055 11.214 1.00 0.00 C ATOM 894 O GLN A 62 3.828 -4.680 10.407 1.00 0.00 O ATOM 895 CB GLN A 62 6.980 -3.666 11.023 1.00 0.00 C ATOM 896 CG GLN A 62 8.313 -3.755 11.747 1.00 0.00 C ATOM 897 CD GLN A 62 9.214 -2.570 11.460 1.00 0.00 C ATOM 898 OE1 GLN A 62 10.323 -2.727 10.948 1.00 0.00 O ATOM 899 NE2 GLN A 62 8.741 -1.374 11.789 1.00 0.00 N ATOM 0 H GLN A 62 5.672 -6.173 10.300 1.00 0.00 H new ATOM 0 HA GLN A 62 5.966 -4.525 12.711 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.125 -3.938 9.977 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.636 -2.632 11.039 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.135 -3.820 12.820 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.822 -4.673 11.452 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.816 -1.290 12.211 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.302 -0.539 11.619 1.00 0.00 H new ATOM 908 N LYS A 63 4.117 -2.919 11.776 1.00 0.00 N ATOM 909 CA LYS A 63 2.821 -2.327 11.469 1.00 0.00 C ATOM 910 C LYS A 63 2.881 -0.806 11.563 1.00 0.00 C ATOM 911 O LYS A 63 3.647 -0.253 12.351 1.00 0.00 O ATOM 912 CB LYS A 63 1.752 -2.866 12.423 1.00 0.00 C ATOM 913 CG LYS A 63 1.086 -4.140 11.934 1.00 0.00 C ATOM 914 CD LYS A 63 -0.344 -4.250 12.435 1.00 0.00 C ATOM 915 CE LYS A 63 -0.393 -4.442 13.943 1.00 0.00 C ATOM 916 NZ LYS A 63 -0.021 -3.199 14.673 1.00 0.00 N ATOM 0 H LYS A 63 4.674 -2.390 12.447 1.00 0.00 H new ATOM 0 HA LYS A 63 2.558 -2.600 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.207 -3.054 13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.990 -2.101 12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.093 -4.160 10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.658 -5.004 12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.896 -3.350 12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.839 -5.088 11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.396 -4.749 14.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.284 -5.247 14.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.582 -3.128 15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.991 -3.227 14.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.212 -2.373 14.071 1.00 0.00 H new ATOM 930 N GLY A 64 2.066 -0.135 10.755 1.00 0.00 N ATOM 931 CA GLY A 64 2.042 1.316 10.764 1.00 0.00 C ATOM 932 C GLY A 64 1.002 1.885 9.819 1.00 0.00 C ATOM 933 O GLY A 64 0.261 1.140 9.178 1.00 0.00 O ATOM 0 H GLY A 64 1.422 -0.570 10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.839 1.667 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.026 1.694 10.487 1.00 0.00 H new ATOM 937 N LYS A 65 0.945 3.210 9.733 1.00 0.00 N ATOM 938 CA LYS A 65 -0.012 3.879 8.860 1.00 0.00 C ATOM 939 C LYS A 65 0.540 4.007 7.444 1.00 0.00 C ATOM 940 O LYS A 65 1.719 4.307 7.251 1.00 0.00 O ATOM 941 CB LYS A 65 -0.354 5.265 9.412 1.00 0.00 C ATOM 942 CG LYS A 65 -0.915 5.236 10.823 1.00 0.00 C ATOM 943 CD LYS A 65 -1.803 6.438 11.095 1.00 0.00 C ATOM 944 CE LYS A 65 -1.074 7.744 10.820 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.601 8.860 11.652 1.00 0.00 N ATOM 0 H LYS A 65 1.550 3.842 10.257 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.918 3.274 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.543 5.883 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.079 5.741 8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.487 4.320 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.095 5.218 11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.696 6.380 10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.136 6.418 12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.010 7.615 11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.173 8.000 9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.078 9.732 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.610 9.001 11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.484 8.628 12.659 1.00 0.00 H new ATOM 959 N VAL A 66 -0.319 3.779 6.455 1.00 0.00 N ATOM 960 CA VAL A 66 0.083 3.871 5.057 1.00 0.00 C ATOM 961 C VAL A 66 -0.834 4.812 4.283 1.00 0.00 C ATOM 962 O VAL A 66 -2.060 4.735 4.370 1.00 0.00 O ATOM 963 CB VAL A 66 0.073 2.488 4.378 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.242 1.646 4.864 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.249 1.779 4.633 1.00 0.00 C ATOM 0 H VAL A 66 -1.298 3.529 6.597 1.00 0.00 H new ATOM 0 HA VAL A 66 1.099 4.266 5.044 1.00 0.00 H new ATOM 0 HB VAL A 66 0.181 2.630 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.218 0.673 4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.178 2.150 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.169 1.510 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.239 0.804 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.390 1.648 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.066 2.377 4.230 1.00 0.00 H new ATOM 975 N PRO A 67 -0.228 5.722 3.506 1.00 0.00 N ATOM 976 CA PRO A 67 -0.971 6.695 2.700 1.00 0.00 C ATOM 977 C PRO A 67 -1.703 6.042 1.532 1.00 0.00 C ATOM 978 O PRO A 67 -1.080 5.461 0.644 1.00 0.00 O ATOM 979 CB PRO A 67 0.121 7.637 2.187 1.00 0.00 C ATOM 980 CG PRO A 67 1.364 6.816 2.193 1.00 0.00 C ATOM 981 CD PRO A 67 1.229 5.870 3.354 1.00 0.00 C ATOM 0 HA PRO A 67 -1.748 7.195 3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.108 8.000 1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.222 8.512 2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.476 6.271 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.247 7.445 2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.711 4.914 3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.688 6.273 4.256 1.00 0.00 H new ATOM 989 N ILE A 68 -3.028 6.143 1.540 1.00 0.00 N ATOM 990 CA ILE A 68 -3.844 5.564 0.481 1.00 0.00 C ATOM 991 C ILE A 68 -3.476 6.148 -0.879 1.00 0.00 C ATOM 992 O ILE A 68 -3.513 5.455 -1.896 1.00 0.00 O ATOM 993 CB ILE A 68 -5.345 5.794 0.736 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.864 4.805 1.782 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.129 5.663 -0.561 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.696 5.287 3.206 1.00 0.00 C ATOM 0 H ILE A 68 -3.559 6.621 2.268 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.644 4.492 0.480 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.483 6.805 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.920 4.612 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.341 3.856 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.188 5.828 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.773 6.403 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.988 4.663 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.086 4.536 3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.639 5.453 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.243 6.220 3.341 1.00 0.00 H new ATOM 1008 N THR A 69 -3.118 7.429 -0.889 1.00 0.00 N ATOM 1009 CA THR A 69 -2.741 8.107 -2.123 1.00 0.00 C ATOM 1010 C THR A 69 -1.591 7.387 -2.818 1.00 0.00 C ATOM 1011 O THR A 69 -1.381 7.548 -4.020 1.00 0.00 O ATOM 1012 CB THR A 69 -2.332 9.568 -1.858 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.652 9.667 -0.602 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.551 10.479 -1.853 1.00 0.00 C ATOM 0 H THR A 69 -3.081 8.017 -0.056 1.00 0.00 H new ATOM 0 HA THR A 69 -3.617 8.094 -2.771 1.00 0.00 H new ATOM 0 HB THR A 69 -1.664 9.885 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.394 10.599 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.237 11.506 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.050 10.424 -2.821 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.240 10.160 -1.071 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.849 6.593 -2.054 1.00 0.00 N ATOM 1023 CA TYR A 70 0.281 5.849 -2.596 1.00 0.00 C ATOM 1024 C TYR A 70 -0.105 4.401 -2.882 1.00 0.00 C ATOM 1025 O TYR A 70 0.619 3.676 -3.564 1.00 0.00 O ATOM 1026 CB TYR A 70 1.460 5.891 -1.622 1.00 0.00 C ATOM 1027 CG TYR A 70 2.184 7.218 -1.605 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.533 8.382 -1.216 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.520 7.308 -1.975 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.190 9.597 -1.199 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.186 8.519 -1.960 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.517 9.660 -1.572 1.00 0.00 C ATOM 1033 OH TYR A 70 4.175 10.868 -1.555 1.00 0.00 O ATOM 0 H TYR A 70 -1.010 6.448 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 70 0.575 6.319 -3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.099 5.671 -0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.167 5.104 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.495 8.336 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.047 6.416 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.668 10.492 -0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.225 8.571 -2.251 1.00 0.00 H new ATOM 0 HH TYR A 70 5.103 10.739 -1.844 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.253 3.988 -2.356 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.739 2.627 -2.554 1.00 0.00 C ATOM 1045 C LEU A 71 -2.903 2.602 -3.540 1.00 0.00 C ATOM 1046 O LEU A 71 -3.726 3.516 -3.564 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.173 2.020 -1.219 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.289 2.344 -0.015 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -2.108 2.341 1.266 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.138 1.353 0.084 1.00 0.00 C ATOM 0 H LEU A 71 -1.864 4.576 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.924 2.033 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.186 2.358 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.215 0.937 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.873 3.342 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.461 2.574 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.897 3.090 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.554 1.357 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.481 1.599 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.535 0.344 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.466 1.405 -0.822 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.965 1.549 -4.348 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.029 1.405 -5.334 1.00 0.00 C ATOM 1064 C GLU A 72 -4.797 0.104 -5.121 1.00 0.00 C ATOM 1065 O GLU A 72 -4.505 -0.913 -5.750 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.451 1.443 -6.751 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.478 1.162 -7.835 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.134 1.829 -9.152 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -4.161 3.077 -9.209 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -3.838 1.105 -10.125 1.00 0.00 O ATOM 0 H GLU A 72 -2.291 0.783 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.720 2.239 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.008 2.423 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.647 0.711 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.555 0.085 -7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.456 1.508 -7.502 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.780 0.144 -4.228 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.591 -1.031 -3.930 1.00 0.00 C ATOM 1079 C LEU A 73 -7.031 -1.729 -5.213 1.00 0.00 C ATOM 1080 O LEU A 73 -7.850 -1.205 -5.969 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.817 -0.634 -3.106 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.539 0.155 -1.826 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.787 0.224 -0.960 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.386 -0.471 -1.054 1.00 0.00 C ATOM 0 H LEU A 73 -6.034 0.977 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.981 -1.725 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.478 -0.041 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.360 -1.541 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.257 1.171 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.570 0.789 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.587 0.717 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.100 -0.785 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.202 0.103 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.640 -1.497 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.489 -0.468 -1.673 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.483 -2.916 -5.452 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.820 -3.688 -6.643 1.00 0.00 C ATOM 1098 C LEU A 74 -8.178 -4.365 -6.487 1.00 0.00 C ATOM 1099 O LEU A 74 -8.338 -5.278 -5.678 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.742 -4.739 -6.916 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.298 -4.295 -6.682 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.429 -5.484 -6.303 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.746 -3.601 -7.919 1.00 0.00 C ATOM 0 H LEU A 74 -5.804 -3.364 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.872 -3.001 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.941 -5.606 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.837 -5.068 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.286 -3.584 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.405 -5.149 -6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.812 -5.938 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.447 -6.219 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.717 -3.292 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.772 -4.289 -8.764 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.353 -2.725 -8.146 1.00 0.00 H new ATOM 1115 N ASN A 75 -9.153 -3.912 -7.268 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.497 -4.475 -7.217 1.00 0.00 C ATOM 1117 C ASN A 75 -10.739 -5.413 -8.396 1.00 0.00 C ATOM 1118 O ASN A 75 -10.935 -4.969 -9.527 1.00 0.00 O ATOM 1119 CB ASN A 75 -11.542 -3.356 -7.220 1.00 0.00 C ATOM 1120 CG ASN A 75 -12.952 -3.883 -7.403 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -13.267 -5.001 -6.995 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -13.808 -3.077 -8.020 1.00 0.00 N ATOM 0 H ASN A 75 -9.037 -3.157 -7.944 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.589 -5.048 -6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.482 -2.804 -6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.314 -2.651 -8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.771 -3.376 -8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.503 -2.158 -8.341 1.00 0.00 H new ATOM 1129 N SER A 76 -10.723 -6.714 -8.122 1.00 0.00 N ATOM 1130 CA SER A 76 -10.936 -7.716 -9.159 1.00 0.00 C ATOM 1131 C SER A 76 -12.421 -7.851 -9.486 1.00 0.00 C ATOM 1132 O SER A 76 -13.275 -7.732 -8.609 1.00 0.00 O ATOM 1133 CB SER A 76 -10.375 -9.068 -8.715 1.00 0.00 C ATOM 1134 OG SER A 76 -11.054 -9.550 -7.568 1.00 0.00 O ATOM 0 H SER A 76 -10.565 -7.098 -7.190 1.00 0.00 H new ATOM 0 HA SER A 76 -10.411 -7.391 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.469 -9.789 -9.527 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.311 -8.970 -8.498 1.00 0.00 H new ATOM 0 HG SER A 76 -10.678 -10.416 -7.305 1.00 0.00 H new ATOM 1140 N GLY A 77 -12.720 -8.102 -10.758 1.00 0.00 N ATOM 1141 CA GLY A 77 -14.100 -8.249 -11.180 1.00 0.00 C ATOM 1142 C GLY A 77 -14.397 -7.501 -12.464 1.00 0.00 C ATOM 1143 O GLY A 77 -13.599 -6.689 -12.933 1.00 0.00 O ATOM 0 H GLY A 77 -12.031 -8.206 -11.503 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.323 -9.307 -11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.759 -7.886 -10.391 1.00 0.00 H new ATOM 1147 N PRO A 78 -15.569 -7.774 -13.056 1.00 0.00 N ATOM 1148 CA PRO A 78 -15.995 -7.132 -14.303 1.00 0.00 C ATOM 1149 C PRO A 78 -16.325 -5.656 -14.112 1.00 0.00 C ATOM 1150 O PRO A 78 -16.729 -4.973 -15.053 1.00 0.00 O ATOM 1151 CB PRO A 78 -17.252 -7.915 -14.693 1.00 0.00 C ATOM 1152 CG PRO A 78 -17.775 -8.457 -13.408 1.00 0.00 C ATOM 1153 CD PRO A 78 -16.569 -8.731 -12.553 1.00 0.00 C ATOM 0 HA PRO A 78 -15.211 -7.152 -15.060 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -17.985 -7.271 -15.178 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.018 -8.716 -15.394 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -18.441 -7.742 -12.925 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.351 -9.368 -13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.781 -8.572 -11.496 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.228 -9.761 -12.658 1.00 0.00 H new ATOM 1161 N SER A 79 -16.148 -5.169 -12.888 1.00 0.00 N ATOM 1162 CA SER A 79 -16.430 -3.773 -12.572 1.00 0.00 C ATOM 1163 C SER A 79 -15.371 -2.855 -13.174 1.00 0.00 C ATOM 1164 O SER A 79 -14.276 -2.712 -12.630 1.00 0.00 O ATOM 1165 CB SER A 79 -16.493 -3.573 -11.057 1.00 0.00 C ATOM 1166 OG SER A 79 -17.019 -2.298 -10.732 1.00 0.00 O ATOM 0 H SER A 79 -15.811 -5.720 -12.099 1.00 0.00 H new ATOM 0 HA SER A 79 -17.397 -3.517 -13.005 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.113 -4.350 -10.610 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.495 -3.677 -10.632 1.00 0.00 H new ATOM 0 HG SER A 79 -17.050 -2.196 -9.758 1.00 0.00 H new ATOM 1172 N SER A 80 -15.705 -2.236 -14.302 1.00 0.00 N ATOM 1173 CA SER A 80 -14.782 -1.334 -14.981 1.00 0.00 C ATOM 1174 C SER A 80 -15.536 -0.370 -15.892 1.00 0.00 C ATOM 1175 O SER A 80 -16.569 -0.717 -16.463 1.00 0.00 O ATOM 1176 CB SER A 80 -13.763 -2.133 -15.797 1.00 0.00 C ATOM 1177 OG SER A 80 -13.043 -3.033 -14.972 1.00 0.00 O ATOM 0 H SER A 80 -16.608 -2.343 -14.765 1.00 0.00 H new ATOM 0 HA SER A 80 -14.256 -0.754 -14.223 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.276 -2.686 -16.584 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.069 -1.450 -16.288 1.00 0.00 H new ATOM 0 HG SER A 80 -13.134 -2.762 -14.035 1.00 0.00 H new ATOM 1183 N GLY A 81 -15.010 0.844 -16.023 1.00 0.00 N ATOM 1184 CA GLY A 81 -15.646 1.841 -16.865 1.00 0.00 C ATOM 1185 C GLY A 81 -15.880 3.150 -16.138 1.00 0.00 C ATOM 1186 O GLY A 81 -14.945 3.917 -15.909 1.00 0.00 O ATOM 0 H GLY A 81 -14.155 1.155 -15.561 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.024 2.022 -17.742 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -16.599 1.454 -17.225 1.00 0.00 H new TER 1190 GLY A 81