USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 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 3 MET CE :methyl -174:sc= -1.14 (180deg=0) USER MOD Set 1.2: A 7 GLN : amide:sc= -2.7 K(o=-3.8,f=-10!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 6 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -118:sc= -0.0905 (180deg=-0.649) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -105:sc= 1.28 USER MOD Single : A 46 MET CE :methyl -173:sc= -1.28 (180deg=-1.38) USER MOD Single : A 48 MET CE :methyl 179:sc= 0 (180deg=-0.00215) USER MOD Single : A 51 GLN :FLIP amide:sc= -3.28 F(o=-4.2!,f=-3.3) USER MOD Single : A 52 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.01) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 62:sc= 0.362 USER MOD Single : A 81 MET CE :methyl 156:sc= -1.5 (180deg=-1.79) USER MOD Single : A 82 MET CE :methyl -125:sc= -2.97 (180deg=-7.8!) USER MOD Single : A 85 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.0028) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.156 -0.977 -8.844 1.00 0.00 N ATOM 2 CA ALA A 1 -12.677 -2.378 -8.671 1.00 0.00 C ATOM 3 C ALA A 1 -11.965 -2.510 -7.323 1.00 0.00 C ATOM 4 O ALA A 1 -10.788 -2.809 -7.257 1.00 0.00 O ATOM 5 CB ALA A 1 -11.705 -2.728 -9.800 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.640 -0.886 -9.760 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.818 -0.739 -8.078 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.345 -0.327 -8.815 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.527 -3.060 -8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.354 -3.752 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.213 -2.634 -10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.854 -2.047 -9.772 1.00 0.00 H new ATOM 13 N SER A 2 -12.669 -2.293 -6.246 1.00 0.00 N ATOM 14 CA SER A 2 -12.035 -2.409 -4.903 1.00 0.00 C ATOM 15 C SER A 2 -12.766 -3.478 -4.087 1.00 0.00 C ATOM 16 O SER A 2 -13.979 -3.530 -4.061 1.00 0.00 O ATOM 17 CB SER A 2 -12.124 -1.065 -4.178 1.00 0.00 C ATOM 18 OG SER A 2 -13.486 -0.765 -3.909 1.00 0.00 O ATOM 0 H SER A 2 -13.657 -2.040 -6.238 1.00 0.00 H new ATOM 0 HA SER A 2 -10.988 -2.690 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.558 -1.103 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.681 -0.279 -4.789 1.00 0.00 H new ATOM 0 HG SER A 2 -13.546 0.095 -3.443 1.00 0.00 H new ATOM 24 N MET A 3 -12.035 -4.332 -3.424 1.00 0.00 N ATOM 25 CA MET A 3 -12.688 -5.399 -2.613 1.00 0.00 C ATOM 26 C MET A 3 -13.418 -6.374 -3.542 1.00 0.00 C ATOM 27 O MET A 3 -14.170 -7.219 -3.100 1.00 0.00 O ATOM 28 CB MET A 3 -13.698 -4.767 -1.652 1.00 0.00 C ATOM 29 CG MET A 3 -13.029 -3.630 -0.878 1.00 0.00 C ATOM 30 SD MET A 3 -12.931 -4.068 0.875 1.00 0.00 S ATOM 31 CE MET A 3 -11.182 -4.529 0.894 1.00 0.00 C ATOM 0 H MET A 3 -11.015 -4.337 -3.409 1.00 0.00 H new ATOM 0 HA MET A 3 -11.928 -5.935 -2.044 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.555 -4.387 -2.208 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.076 -5.519 -0.959 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.030 -3.445 -1.274 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.597 -2.708 -1.002 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.925 -4.940 1.870 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.995 -5.278 0.124 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.571 -3.648 0.699 1.00 0.00 H new ATOM 41 N THR A 4 -13.206 -6.261 -4.825 1.00 0.00 N ATOM 42 CA THR A 4 -13.892 -7.179 -5.776 1.00 0.00 C ATOM 43 C THR A 4 -13.018 -8.426 -6.006 1.00 0.00 C ATOM 44 O THR A 4 -12.863 -9.245 -5.122 1.00 0.00 O ATOM 45 CB THR A 4 -14.150 -6.437 -7.091 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.526 -7.366 -8.100 1.00 0.00 O ATOM 47 CG2 THR A 4 -12.884 -5.687 -7.516 1.00 0.00 C ATOM 0 H THR A 4 -12.588 -5.573 -5.255 1.00 0.00 H new ATOM 0 HA THR A 4 -14.848 -7.503 -5.365 1.00 0.00 H new ATOM 0 HB THR A 4 -14.959 -5.720 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.692 -6.888 -8.939 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.070 -5.160 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.610 -4.969 -6.743 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.070 -6.398 -7.656 1.00 0.00 H new ATOM 55 N ASP A 5 -12.446 -8.586 -7.173 1.00 0.00 N ATOM 56 CA ASP A 5 -11.596 -9.784 -7.423 1.00 0.00 C ATOM 57 C ASP A 5 -10.144 -9.469 -7.058 1.00 0.00 C ATOM 58 O ASP A 5 -9.358 -10.352 -6.777 1.00 0.00 O ATOM 59 CB ASP A 5 -11.679 -10.163 -8.903 1.00 0.00 C ATOM 60 CG ASP A 5 -11.615 -11.685 -9.046 1.00 0.00 C ATOM 61 OD1 ASP A 5 -10.872 -12.299 -8.298 1.00 0.00 O ATOM 62 OD2 ASP A 5 -12.309 -12.209 -9.901 1.00 0.00 O ATOM 0 H ASP A 5 -12.532 -7.941 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.949 -10.614 -6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.606 -9.786 -9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.860 -9.701 -9.454 1.00 0.00 H new ATOM 67 N GLN A 6 -9.779 -8.216 -7.066 1.00 0.00 N ATOM 68 CA GLN A 6 -8.377 -7.844 -6.725 1.00 0.00 C ATOM 69 C GLN A 6 -8.024 -8.377 -5.334 1.00 0.00 C ATOM 70 O GLN A 6 -7.257 -9.308 -5.191 1.00 0.00 O ATOM 71 CB GLN A 6 -8.237 -6.321 -6.736 1.00 0.00 C ATOM 72 CG GLN A 6 -6.831 -5.941 -7.201 1.00 0.00 C ATOM 73 CD GLN A 6 -6.894 -5.392 -8.628 1.00 0.00 C ATOM 74 OE1 GLN A 6 -7.786 -5.727 -9.382 1.00 0.00 O ATOM 75 NE2 GLN A 6 -5.979 -4.554 -9.033 1.00 0.00 N ATOM 0 H GLN A 6 -10.392 -7.433 -7.294 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.700 -8.279 -7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.982 -5.882 -7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.422 -5.921 -5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.405 -5.194 -6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.177 -6.812 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.230 -4.272 -8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.013 -4.181 -9.982 1.00 0.00 H new ATOM 84 N GLN A 7 -8.578 -7.790 -4.308 1.00 0.00 N ATOM 85 CA GLN A 7 -8.275 -8.259 -2.926 1.00 0.00 C ATOM 86 C GLN A 7 -8.565 -9.757 -2.815 1.00 0.00 C ATOM 87 O GLN A 7 -8.098 -10.424 -1.911 1.00 0.00 O ATOM 88 CB GLN A 7 -9.150 -7.499 -1.927 1.00 0.00 C ATOM 89 CG GLN A 7 -8.341 -6.364 -1.297 1.00 0.00 C ATOM 90 CD GLN A 7 -8.788 -5.026 -1.889 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.303 -4.179 -1.186 1.00 0.00 O ATOM 92 NE2 GLN A 7 -8.611 -4.798 -3.162 1.00 0.00 N ATOM 0 H GLN A 7 -9.227 -7.006 -4.367 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.223 -8.076 -2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.029 -7.097 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.509 -8.177 -1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.481 -6.360 -0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.277 -6.517 -1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.179 -5.509 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.905 -3.909 -3.567 1.00 0.00 H new ATOM 101 N ALA A 8 -9.333 -10.292 -3.723 1.00 0.00 N ATOM 102 CA ALA A 8 -9.656 -11.747 -3.662 1.00 0.00 C ATOM 103 C ALA A 8 -8.397 -12.571 -3.947 1.00 0.00 C ATOM 104 O ALA A 8 -8.082 -13.506 -3.238 1.00 0.00 O ATOM 105 CB ALA A 8 -10.725 -12.075 -4.706 1.00 0.00 C ATOM 0 H ALA A 8 -9.751 -9.786 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.028 -11.991 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.962 -13.138 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.624 -11.494 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.352 -11.827 -5.700 1.00 0.00 H new ATOM 111 N GLU A 9 -7.675 -12.236 -4.983 1.00 0.00 N ATOM 112 CA GLU A 9 -6.442 -13.007 -5.312 1.00 0.00 C ATOM 113 C GLU A 9 -5.295 -12.563 -4.403 1.00 0.00 C ATOM 114 O GLU A 9 -4.711 -13.358 -3.693 1.00 0.00 O ATOM 115 CB GLU A 9 -6.059 -12.759 -6.773 1.00 0.00 C ATOM 116 CG GLU A 9 -6.145 -14.072 -7.555 1.00 0.00 C ATOM 117 CD GLU A 9 -6.487 -13.775 -9.015 1.00 0.00 C ATOM 118 OE1 GLU A 9 -5.822 -12.937 -9.602 1.00 0.00 O ATOM 119 OE2 GLU A 9 -7.409 -14.393 -9.524 1.00 0.00 O ATOM 0 H GLU A 9 -7.886 -11.463 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.632 -14.069 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.725 -12.017 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.048 -12.355 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.197 -14.607 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.905 -14.719 -7.117 1.00 0.00 H new ATOM 126 N ALA A 10 -4.963 -11.301 -4.422 1.00 0.00 N ATOM 127 CA ALA A 10 -3.848 -10.808 -3.561 1.00 0.00 C ATOM 128 C ALA A 10 -3.961 -11.430 -2.167 1.00 0.00 C ATOM 129 O ALA A 10 -3.081 -12.138 -1.720 1.00 0.00 O ATOM 130 CB ALA A 10 -3.925 -9.285 -3.448 1.00 0.00 C ATOM 0 H ALA A 10 -5.415 -10.589 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.895 -11.092 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.111 -8.925 -2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.840 -8.842 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.879 -9.001 -3.004 1.00 0.00 H new ATOM 136 N ARG A 11 -5.037 -11.171 -1.476 1.00 0.00 N ATOM 137 CA ARG A 11 -5.200 -11.749 -0.112 1.00 0.00 C ATOM 138 C ARG A 11 -5.074 -13.271 -0.187 1.00 0.00 C ATOM 139 O ARG A 11 -4.488 -13.899 0.672 1.00 0.00 O ATOM 140 CB ARG A 11 -6.580 -11.379 0.439 1.00 0.00 C ATOM 141 CG ARG A 11 -6.533 -11.367 1.968 1.00 0.00 C ATOM 142 CD ARG A 11 -7.744 -10.605 2.512 1.00 0.00 C ATOM 143 NE ARG A 11 -7.684 -9.188 2.058 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.887 -8.222 2.912 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.901 -7.785 3.647 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.073 -7.692 3.029 1.00 0.00 N ATOM 0 H ARG A 11 -5.809 -10.586 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.428 -11.351 0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.882 -10.400 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.325 -12.095 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.531 -12.388 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.611 -10.897 2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.666 -11.071 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.756 -10.649 3.601 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.485 -8.973 1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.973 -8.198 3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.058 -7.030 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.843 -8.032 2.453 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.231 -6.937 3.697 1.00 0.00 H new ATOM 160 N ALA A 12 -5.620 -13.869 -1.210 1.00 0.00 N ATOM 161 CA ALA A 12 -5.534 -15.349 -1.342 1.00 0.00 C ATOM 162 C ALA A 12 -4.107 -15.811 -1.037 1.00 0.00 C ATOM 163 O ALA A 12 -3.896 -16.778 -0.333 1.00 0.00 O ATOM 164 CB ALA A 12 -5.904 -15.756 -2.769 1.00 0.00 C ATOM 0 H ALA A 12 -6.122 -13.395 -1.961 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.224 -15.814 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.841 -16.840 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.921 -15.430 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.214 -15.288 -3.471 1.00 0.00 H new ATOM 170 N PHE A 13 -3.127 -15.130 -1.563 1.00 0.00 N ATOM 171 CA PHE A 13 -1.717 -15.535 -1.303 1.00 0.00 C ATOM 172 C PHE A 13 -1.305 -15.082 0.099 1.00 0.00 C ATOM 173 O PHE A 13 -0.545 -15.742 0.778 1.00 0.00 O ATOM 174 CB PHE A 13 -0.792 -14.883 -2.337 1.00 0.00 C ATOM 175 CG PHE A 13 -1.539 -14.673 -3.633 1.00 0.00 C ATOM 176 CD1 PHE A 13 -2.075 -15.771 -4.319 1.00 0.00 C ATOM 177 CD2 PHE A 13 -1.696 -13.381 -4.150 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.767 -15.575 -5.521 1.00 0.00 C ATOM 179 CE2 PHE A 13 -2.388 -13.187 -5.352 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.924 -14.284 -6.036 1.00 0.00 C ATOM 0 H PHE A 13 -3.241 -14.312 -2.161 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.637 -16.620 -1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.425 -13.928 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.080 -15.514 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.955 -16.768 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.283 -12.534 -3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.180 -16.421 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.508 -12.191 -5.751 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.459 -14.134 -6.962 1.00 0.00 H new ATOM 190 N LEU A 14 -1.800 -13.956 0.538 1.00 0.00 N ATOM 191 CA LEU A 14 -1.434 -13.460 1.893 1.00 0.00 C ATOM 192 C LEU A 14 -2.434 -13.992 2.921 1.00 0.00 C ATOM 193 O LEU A 14 -3.335 -13.294 3.341 1.00 0.00 O ATOM 194 CB LEU A 14 -1.458 -11.932 1.895 1.00 0.00 C ATOM 195 CG LEU A 14 -0.576 -11.411 0.760 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.257 -10.221 0.084 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.774 -10.968 1.329 1.00 0.00 C ATOM 0 H LEU A 14 -2.442 -13.359 0.016 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.434 -13.808 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.480 -11.573 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.101 -11.553 2.852 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.423 -12.204 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.626 -9.852 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.219 -10.534 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.412 -9.427 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.405 -10.596 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.618 -10.176 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.262 -11.816 1.810 1.00 0.00 H new ATOM 209 N SER A 15 -2.281 -15.222 3.329 1.00 0.00 N ATOM 210 CA SER A 15 -3.221 -15.796 4.331 1.00 0.00 C ATOM 211 C SER A 15 -3.433 -14.789 5.463 1.00 0.00 C ATOM 212 O SER A 15 -2.763 -13.779 5.542 1.00 0.00 O ATOM 213 CB SER A 15 -2.635 -17.090 4.899 1.00 0.00 C ATOM 214 OG SER A 15 -2.699 -18.109 3.909 1.00 0.00 O ATOM 0 H SER A 15 -1.546 -15.854 3.011 1.00 0.00 H new ATOM 0 HA SER A 15 -4.176 -16.012 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.602 -16.930 5.207 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.189 -17.394 5.787 1.00 0.00 H new ATOM 0 HG SER A 15 -2.323 -18.939 4.269 1.00 0.00 H new ATOM 220 N GLU A 16 -4.363 -15.052 6.340 1.00 0.00 N ATOM 221 CA GLU A 16 -4.620 -14.107 7.463 1.00 0.00 C ATOM 222 C GLU A 16 -3.318 -13.825 8.215 1.00 0.00 C ATOM 223 O GLU A 16 -3.090 -12.730 8.691 1.00 0.00 O ATOM 224 CB GLU A 16 -5.636 -14.728 8.425 1.00 0.00 C ATOM 225 CG GLU A 16 -6.146 -13.658 9.391 1.00 0.00 C ATOM 226 CD GLU A 16 -7.523 -13.171 8.934 1.00 0.00 C ATOM 227 OE1 GLU A 16 -8.041 -13.731 7.983 1.00 0.00 O ATOM 228 OE2 GLU A 16 -8.034 -12.246 9.543 1.00 0.00 O ATOM 0 H GLU A 16 -4.956 -15.881 6.327 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.013 -13.172 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.469 -15.154 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.174 -15.544 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.209 -14.065 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.447 -12.823 9.427 1.00 0.00 H new ATOM 235 N GLU A 17 -2.464 -14.803 8.333 1.00 0.00 N ATOM 236 CA GLU A 17 -1.183 -14.591 9.063 1.00 0.00 C ATOM 237 C GLU A 17 -0.302 -13.600 8.297 1.00 0.00 C ATOM 238 O GLU A 17 0.395 -12.795 8.882 1.00 0.00 O ATOM 239 CB GLU A 17 -0.448 -15.926 9.199 1.00 0.00 C ATOM 240 CG GLU A 17 0.782 -15.743 10.091 1.00 0.00 C ATOM 241 CD GLU A 17 1.878 -16.715 9.654 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.813 -17.185 8.530 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.764 -16.977 10.453 1.00 0.00 O ATOM 0 H GLU A 17 -2.598 -15.741 7.955 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.398 -14.187 10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.112 -16.677 9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.147 -16.289 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.143 -14.717 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.518 -15.921 11.134 1.00 0.00 H new ATOM 250 N MET A 18 -0.318 -13.654 6.992 1.00 0.00 N ATOM 251 CA MET A 18 0.528 -12.717 6.198 1.00 0.00 C ATOM 252 C MET A 18 -0.018 -11.292 6.318 1.00 0.00 C ATOM 253 O MET A 18 0.690 -10.327 6.107 1.00 0.00 O ATOM 254 CB MET A 18 0.518 -13.141 4.728 1.00 0.00 C ATOM 255 CG MET A 18 1.867 -12.801 4.092 1.00 0.00 C ATOM 256 SD MET A 18 3.076 -14.076 4.523 1.00 0.00 S ATOM 257 CE MET A 18 4.359 -13.577 3.348 1.00 0.00 C ATOM 0 H MET A 18 -0.879 -14.305 6.443 1.00 0.00 H new ATOM 0 HA MET A 18 1.548 -12.745 6.582 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.325 -14.211 4.648 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.286 -12.632 4.197 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.764 -12.734 3.009 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.210 -11.827 4.440 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.217 -14.242 3.442 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.965 -13.634 2.333 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.668 -12.553 3.560 1.00 0.00 H new ATOM 267 N ILE A 19 -1.271 -11.151 6.649 1.00 0.00 N ATOM 268 CA ILE A 19 -1.857 -9.786 6.775 1.00 0.00 C ATOM 269 C ILE A 19 -1.626 -9.257 8.190 1.00 0.00 C ATOM 270 O ILE A 19 -0.838 -8.359 8.408 1.00 0.00 O ATOM 271 CB ILE A 19 -3.358 -9.853 6.494 1.00 0.00 C ATOM 272 CG1 ILE A 19 -3.582 -10.393 5.081 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.964 -8.454 6.605 1.00 0.00 C ATOM 274 CD1 ILE A 19 -4.729 -11.404 5.097 1.00 0.00 C ATOM 0 H ILE A 19 -1.914 -11.920 6.838 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.380 -9.118 6.058 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.835 -10.512 7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.814 -9.574 4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.672 -10.866 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.034 -8.504 6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.801 -8.066 7.610 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.489 -7.793 5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.889 -11.789 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.478 -12.228 5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.639 -10.917 5.448 1.00 0.00 H new ATOM 286 N ALA A 20 -2.310 -9.807 9.152 1.00 0.00 N ATOM 287 CA ALA A 20 -2.134 -9.338 10.553 1.00 0.00 C ATOM 288 C ALA A 20 -0.643 -9.201 10.868 1.00 0.00 C ATOM 289 O ALA A 20 -0.247 -8.433 11.722 1.00 0.00 O ATOM 290 CB ALA A 20 -2.767 -10.353 11.503 1.00 0.00 C ATOM 0 H ALA A 20 -2.984 -10.562 9.029 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.615 -8.368 10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.642 -10.016 12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.830 -10.448 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.282 -11.321 11.377 1.00 0.00 H new ATOM 296 N GLU A 21 0.192 -9.937 10.184 1.00 0.00 N ATOM 297 CA GLU A 21 1.655 -9.843 10.448 1.00 0.00 C ATOM 298 C GLU A 21 2.220 -8.606 9.746 1.00 0.00 C ATOM 299 O GLU A 21 3.026 -7.881 10.295 1.00 0.00 O ATOM 300 CB GLU A 21 2.353 -11.094 9.912 1.00 0.00 C ATOM 301 CG GLU A 21 3.852 -11.007 10.204 1.00 0.00 C ATOM 302 CD GLU A 21 4.617 -10.814 8.893 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.550 -11.698 8.056 1.00 0.00 O ATOM 304 OE2 GLU A 21 5.257 -9.785 8.750 1.00 0.00 O ATOM 0 H GLU A 21 -0.076 -10.598 9.455 1.00 0.00 H new ATOM 0 HA GLU A 21 1.825 -9.764 11.522 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.932 -11.985 10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.185 -11.185 8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.054 -10.177 10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.189 -11.915 10.704 1.00 0.00 H new ATOM 311 N PHE A 22 1.803 -8.360 8.534 1.00 0.00 N ATOM 312 CA PHE A 22 2.315 -7.171 7.795 1.00 0.00 C ATOM 313 C PHE A 22 1.786 -5.894 8.451 1.00 0.00 C ATOM 314 O PHE A 22 2.320 -4.820 8.259 1.00 0.00 O ATOM 315 CB PHE A 22 1.839 -7.233 6.342 1.00 0.00 C ATOM 316 CG PHE A 22 2.839 -6.537 5.450 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.208 -6.776 5.613 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.395 -5.653 4.459 1.00 0.00 C ATOM 319 CE1 PHE A 22 5.136 -6.131 4.784 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.322 -5.008 3.631 1.00 0.00 C ATOM 321 CZ PHE A 22 4.692 -5.247 3.793 1.00 0.00 C ATOM 0 H PHE A 22 1.130 -8.931 8.023 1.00 0.00 H new ATOM 0 HA PHE A 22 3.405 -7.167 7.822 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.721 -8.271 6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.862 -6.759 6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.550 -7.458 6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.338 -5.469 4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.193 -6.316 4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.980 -4.326 2.867 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.406 -4.750 3.154 1.00 0.00 H new ATOM 331 N LYS A 23 0.741 -6.000 9.225 1.00 0.00 N ATOM 332 CA LYS A 23 0.185 -4.789 9.890 1.00 0.00 C ATOM 333 C LYS A 23 1.219 -4.226 10.866 1.00 0.00 C ATOM 334 O LYS A 23 1.228 -3.048 11.165 1.00 0.00 O ATOM 335 CB LYS A 23 -1.089 -5.159 10.652 1.00 0.00 C ATOM 336 CG LYS A 23 -1.667 -3.908 11.318 1.00 0.00 C ATOM 337 CD LYS A 23 -2.100 -4.241 12.746 1.00 0.00 C ATOM 338 CE LYS A 23 -3.159 -5.344 12.712 1.00 0.00 C ATOM 339 NZ LYS A 23 -3.771 -5.485 14.063 1.00 0.00 N ATOM 0 H LYS A 23 0.249 -6.871 9.425 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.052 -4.038 9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.821 -5.592 9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.868 -5.916 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.922 -3.113 11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.518 -3.539 10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.240 -4.565 13.332 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.501 -3.352 13.233 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.927 -5.104 11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.707 -6.287 12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.491 -6.235 14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.034 -5.733 14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.215 -4.586 14.338 1.00 0.00 H new ATOM 353 N ALA A 24 2.094 -5.057 11.362 1.00 0.00 N ATOM 354 CA ALA A 24 3.129 -4.566 12.315 1.00 0.00 C ATOM 355 C ALA A 24 3.986 -3.506 11.622 1.00 0.00 C ATOM 356 O ALA A 24 4.062 -2.373 12.055 1.00 0.00 O ATOM 357 CB ALA A 24 4.018 -5.732 12.752 1.00 0.00 C ATOM 0 H ALA A 24 2.137 -6.054 11.149 1.00 0.00 H new ATOM 0 HA ALA A 24 2.644 -4.134 13.190 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.775 -5.371 13.449 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.408 -6.492 13.240 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.506 -6.165 11.879 1.00 0.00 H new ATOM 363 N ALA A 25 4.629 -3.866 10.545 1.00 0.00 N ATOM 364 CA ALA A 25 5.477 -2.880 9.820 1.00 0.00 C ATOM 365 C ALA A 25 4.606 -1.713 9.353 1.00 0.00 C ATOM 366 O ALA A 25 5.081 -0.612 9.153 1.00 0.00 O ATOM 367 CB ALA A 25 6.119 -3.556 8.607 1.00 0.00 C ATOM 0 H ALA A 25 4.603 -4.800 10.136 1.00 0.00 H new ATOM 0 HA ALA A 25 6.258 -2.510 10.484 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.740 -2.835 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.736 -4.391 8.940 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.339 -3.924 7.941 1.00 0.00 H new ATOM 373 N PHE A 26 3.333 -1.944 9.180 1.00 0.00 N ATOM 374 CA PHE A 26 2.431 -0.849 8.729 1.00 0.00 C ATOM 375 C PHE A 26 2.299 0.192 9.843 1.00 0.00 C ATOM 376 O PHE A 26 2.216 1.378 9.591 1.00 0.00 O ATOM 377 CB PHE A 26 1.052 -1.425 8.402 1.00 0.00 C ATOM 378 CG PHE A 26 0.328 -0.493 7.461 1.00 0.00 C ATOM 379 CD1 PHE A 26 -0.004 0.802 7.876 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.009 -0.923 6.171 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.674 1.667 7.002 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.679 -0.058 5.298 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.011 1.237 5.714 1.00 0.00 C ATOM 0 H PHE A 26 2.879 -2.845 9.332 1.00 0.00 H new ATOM 0 HA PHE A 26 2.847 -0.378 7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.156 -2.410 7.947 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.474 -1.556 9.317 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.257 1.134 8.870 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.248 -1.922 5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.931 2.666 7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.940 -0.389 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.528 1.904 5.040 1.00 0.00 H new ATOM 393 N ASP A 27 2.280 -0.242 11.073 1.00 0.00 N ATOM 394 CA ASP A 27 2.155 0.723 12.201 1.00 0.00 C ATOM 395 C ASP A 27 3.089 1.911 11.958 1.00 0.00 C ATOM 396 O ASP A 27 2.751 3.045 12.230 1.00 0.00 O ATOM 397 CB ASP A 27 2.541 0.032 13.510 1.00 0.00 C ATOM 398 CG ASP A 27 2.072 0.882 14.694 1.00 0.00 C ATOM 399 OD1 ASP A 27 1.904 2.077 14.512 1.00 0.00 O ATOM 400 OD2 ASP A 27 1.889 0.323 15.763 1.00 0.00 O ATOM 0 H ASP A 27 2.346 -1.223 11.346 1.00 0.00 H new ATOM 0 HA ASP A 27 1.125 1.075 12.267 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.088 -0.958 13.558 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.621 -0.108 13.555 1.00 0.00 H new ATOM 405 N MET A 28 4.263 1.658 11.447 1.00 0.00 N ATOM 406 CA MET A 28 5.218 2.772 11.188 1.00 0.00 C ATOM 407 C MET A 28 4.688 3.652 10.054 1.00 0.00 C ATOM 408 O MET A 28 4.679 4.864 10.150 1.00 0.00 O ATOM 409 CB MET A 28 6.577 2.194 10.791 1.00 0.00 C ATOM 410 CG MET A 28 7.677 2.849 11.629 1.00 0.00 C ATOM 411 SD MET A 28 7.604 2.212 13.322 1.00 0.00 S ATOM 412 CE MET A 28 8.353 0.598 12.991 1.00 0.00 C ATOM 0 H MET A 28 4.602 0.729 11.198 1.00 0.00 H new ATOM 0 HA MET A 28 5.326 3.373 12.091 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.583 1.115 10.944 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.762 2.367 9.731 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.654 2.641 11.193 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.552 3.932 11.631 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.637 -0.190 13.224 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.632 0.535 11.939 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.242 0.476 13.610 1.00 0.00 H new ATOM 422 N PHE A 29 4.245 3.056 8.982 1.00 0.00 N ATOM 423 CA PHE A 29 3.716 3.864 7.847 1.00 0.00 C ATOM 424 C PHE A 29 2.725 4.902 8.378 1.00 0.00 C ATOM 425 O PHE A 29 2.926 6.092 8.246 1.00 0.00 O ATOM 426 CB PHE A 29 3.007 2.944 6.850 1.00 0.00 C ATOM 427 CG PHE A 29 3.864 2.776 5.618 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.203 3.890 4.841 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.320 1.503 5.251 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.995 3.733 3.698 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.113 1.346 4.107 1.00 0.00 C ATOM 432 CZ PHE A 29 5.451 2.462 3.331 1.00 0.00 C ATOM 0 H PHE A 29 4.226 2.046 8.843 1.00 0.00 H new ATOM 0 HA PHE A 29 4.541 4.372 7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.816 1.973 7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.039 3.364 6.577 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.853 4.872 5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.060 0.643 5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.254 4.593 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.464 0.365 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.063 2.342 2.450 1.00 0.00 H new ATOM 442 N ASP A 30 1.654 4.459 8.980 1.00 0.00 N ATOM 443 CA ASP A 30 0.650 5.418 9.521 1.00 0.00 C ATOM 444 C ASP A 30 1.305 6.301 10.585 1.00 0.00 C ATOM 445 O ASP A 30 2.506 6.282 10.768 1.00 0.00 O ATOM 446 CB ASP A 30 -0.511 4.640 10.148 1.00 0.00 C ATOM 447 CG ASP A 30 0.026 3.715 11.241 1.00 0.00 C ATOM 448 OD1 ASP A 30 0.638 4.218 12.168 1.00 0.00 O ATOM 449 OD2 ASP A 30 -0.183 2.518 11.130 1.00 0.00 O ATOM 0 H ASP A 30 1.432 3.473 9.120 1.00 0.00 H new ATOM 0 HA ASP A 30 0.275 6.045 8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.241 5.332 10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.027 4.057 9.385 1.00 0.00 H new ATOM 454 N ALA A 31 0.525 7.076 11.289 1.00 0.00 N ATOM 455 CA ALA A 31 1.101 7.960 12.341 1.00 0.00 C ATOM 456 C ALA A 31 -0.020 8.460 13.258 1.00 0.00 C ATOM 457 O ALA A 31 -0.141 8.040 14.392 1.00 0.00 O ATOM 458 CB ALA A 31 1.789 9.157 11.681 1.00 0.00 C ATOM 0 H ALA A 31 -0.487 7.135 11.180 1.00 0.00 H new ATOM 0 HA ALA A 31 1.829 7.399 12.928 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.211 9.804 12.450 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.586 8.803 11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.061 9.717 11.095 1.00 0.00 H new ATOM 464 N ASP A 32 -0.839 9.354 12.775 1.00 0.00 N ATOM 465 CA ASP A 32 -1.951 9.880 13.616 1.00 0.00 C ATOM 466 C ASP A 32 -3.235 9.114 13.299 1.00 0.00 C ATOM 467 O ASP A 32 -4.173 9.103 14.073 1.00 0.00 O ATOM 468 CB ASP A 32 -2.158 11.367 13.317 1.00 0.00 C ATOM 469 CG ASP A 32 -0.917 12.153 13.745 1.00 0.00 C ATOM 470 OD1 ASP A 32 0.145 11.880 13.210 1.00 0.00 O ATOM 471 OD2 ASP A 32 -1.050 13.014 14.598 1.00 0.00 O ATOM 0 H ASP A 32 -0.786 9.743 11.834 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.701 9.752 14.669 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.344 11.512 12.253 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.036 11.736 13.847 1.00 0.00 H new ATOM 476 N GLY A 33 -3.287 8.470 12.164 1.00 0.00 N ATOM 477 CA GLY A 33 -4.512 7.705 11.796 1.00 0.00 C ATOM 478 C GLY A 33 -4.383 6.266 12.295 1.00 0.00 C ATOM 479 O GLY A 33 -5.364 5.594 12.543 1.00 0.00 O ATOM 0 H GLY A 33 -2.534 8.441 11.476 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.393 8.175 12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.649 7.715 10.715 1.00 0.00 H new ATOM 483 N GLY A 34 -3.179 5.785 12.443 1.00 0.00 N ATOM 484 CA GLY A 34 -2.989 4.389 12.926 1.00 0.00 C ATOM 485 C GLY A 34 -3.774 3.428 12.031 1.00 0.00 C ATOM 486 O GLY A 34 -4.304 2.434 12.487 1.00 0.00 O ATOM 0 H GLY A 34 -2.319 6.299 12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.930 4.130 12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.328 4.301 13.958 1.00 0.00 H new ATOM 490 N GLY A 35 -3.854 3.716 10.761 1.00 0.00 N ATOM 491 CA GLY A 35 -4.605 2.819 9.839 1.00 0.00 C ATOM 492 C GLY A 35 -4.870 3.543 8.520 1.00 0.00 C ATOM 493 O GLY A 35 -5.913 3.392 7.916 1.00 0.00 O ATOM 0 H GLY A 35 -3.431 4.534 10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.034 1.908 9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.548 2.518 10.296 1.00 0.00 H new ATOM 497 N ASP A 36 -3.934 4.330 8.064 1.00 0.00 N ATOM 498 CA ASP A 36 -4.137 5.062 6.782 1.00 0.00 C ATOM 499 C ASP A 36 -2.862 5.824 6.414 1.00 0.00 C ATOM 500 O ASP A 36 -2.017 6.081 7.249 1.00 0.00 O ATOM 501 CB ASP A 36 -5.291 6.053 6.939 1.00 0.00 C ATOM 502 CG ASP A 36 -4.994 7.000 8.102 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.826 7.251 8.352 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.938 7.460 8.723 1.00 0.00 O ATOM 0 H ASP A 36 -3.039 4.497 8.523 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.371 4.347 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.425 6.621 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.223 5.517 7.121 1.00 0.00 H new ATOM 509 N ILE A 37 -2.722 6.190 5.170 1.00 0.00 N ATOM 510 CA ILE A 37 -1.508 6.941 4.739 1.00 0.00 C ATOM 511 C ILE A 37 -1.904 7.934 3.645 1.00 0.00 C ATOM 512 O ILE A 37 -2.729 7.641 2.804 1.00 0.00 O ATOM 513 CB ILE A 37 -0.456 5.970 4.187 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.682 4.568 4.766 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.941 6.457 4.578 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.308 3.589 4.133 1.00 0.00 C ATOM 0 H ILE A 37 -3.398 6.001 4.430 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.087 7.471 5.593 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.543 5.930 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.552 4.585 5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.705 4.244 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.689 5.768 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.110 7.450 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.021 6.500 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.148 2.592 4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.156 3.565 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.327 3.911 4.349 1.00 0.00 H new ATOM 528 N SER A 38 -1.333 9.107 3.649 1.00 0.00 N ATOM 529 CA SER A 38 -1.695 10.107 2.606 1.00 0.00 C ATOM 530 C SER A 38 -0.535 10.269 1.621 1.00 0.00 C ATOM 531 O SER A 38 0.459 9.577 1.696 1.00 0.00 O ATOM 532 CB SER A 38 -1.992 11.451 3.271 1.00 0.00 C ATOM 533 OG SER A 38 -3.378 11.527 3.576 1.00 0.00 O ATOM 0 H SER A 38 -0.635 9.415 4.326 1.00 0.00 H new ATOM 0 HA SER A 38 -2.578 9.763 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.401 11.558 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.708 12.269 2.608 1.00 0.00 H new ATOM 0 HG SER A 38 -3.572 12.387 4.004 1.00 0.00 H new ATOM 539 N THR A 39 -0.658 11.180 0.693 1.00 0.00 N ATOM 540 CA THR A 39 0.434 11.386 -0.300 1.00 0.00 C ATOM 541 C THR A 39 1.640 12.028 0.391 1.00 0.00 C ATOM 542 O THR A 39 2.770 11.845 -0.016 1.00 0.00 O ATOM 543 CB THR A 39 -0.061 12.307 -1.416 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.461 13.551 -0.859 1.00 0.00 O ATOM 545 CG2 THR A 39 -1.251 11.659 -2.127 1.00 0.00 C ATOM 0 H THR A 39 -1.468 11.790 0.580 1.00 0.00 H new ATOM 0 HA THR A 39 0.726 10.425 -0.722 1.00 0.00 H new ATOM 0 HB THR A 39 0.743 12.471 -2.134 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.777 14.143 -1.573 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.602 12.317 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.944 10.705 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.056 11.493 -1.411 1.00 0.00 H new ATOM 553 N LYS A 40 1.407 12.783 1.430 1.00 0.00 N ATOM 554 CA LYS A 40 2.539 13.440 2.143 1.00 0.00 C ATOM 555 C LYS A 40 3.050 12.519 3.254 1.00 0.00 C ATOM 556 O LYS A 40 4.100 12.743 3.824 1.00 0.00 O ATOM 557 CB LYS A 40 2.057 14.756 2.755 1.00 0.00 C ATOM 558 CG LYS A 40 3.150 15.817 2.614 1.00 0.00 C ATOM 559 CD LYS A 40 3.424 16.453 3.978 1.00 0.00 C ATOM 560 CE LYS A 40 4.905 16.298 4.327 1.00 0.00 C ATOM 561 NZ LYS A 40 5.545 17.642 4.385 1.00 0.00 N ATOM 0 H LYS A 40 0.482 12.973 1.816 1.00 0.00 H new ATOM 0 HA LYS A 40 3.346 13.638 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.146 15.089 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.810 14.611 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.061 15.365 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.840 16.581 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.153 17.509 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.808 15.979 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.012 15.791 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.403 15.678 3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.552 17.537 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.454 18.110 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.076 18.219 5.113 1.00 0.00 H new ATOM 575 N GLU A 41 2.317 11.488 3.569 1.00 0.00 N ATOM 576 CA GLU A 41 2.762 10.558 4.644 1.00 0.00 C ATOM 577 C GLU A 41 3.608 9.436 4.035 1.00 0.00 C ATOM 578 O GLU A 41 4.708 9.166 4.476 1.00 0.00 O ATOM 579 CB GLU A 41 1.536 9.958 5.335 1.00 0.00 C ATOM 580 CG GLU A 41 1.808 9.832 6.836 1.00 0.00 C ATOM 581 CD GLU A 41 2.821 8.712 7.080 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.913 7.829 6.243 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.489 8.757 8.100 1.00 0.00 O ATOM 0 H GLU A 41 1.429 11.249 3.128 1.00 0.00 H new ATOM 0 HA GLU A 41 3.360 11.104 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.664 10.589 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.309 8.979 4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.191 10.775 7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.880 9.620 7.368 1.00 0.00 H new ATOM 590 N LEU A 42 3.101 8.779 3.027 1.00 0.00 N ATOM 591 CA LEU A 42 3.872 7.674 2.391 1.00 0.00 C ATOM 592 C LEU A 42 4.978 8.260 1.510 1.00 0.00 C ATOM 593 O LEU A 42 5.974 7.618 1.239 1.00 0.00 O ATOM 594 CB LEU A 42 2.931 6.827 1.531 1.00 0.00 C ATOM 595 CG LEU A 42 2.476 7.643 0.319 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.160 7.110 -0.941 1.00 0.00 C ATOM 597 CD2 LEU A 42 0.958 7.521 0.164 1.00 0.00 C ATOM 0 H LEU A 42 2.185 8.960 2.617 1.00 0.00 H new ATOM 0 HA LEU A 42 4.319 7.051 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.438 5.920 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.067 6.514 2.118 1.00 0.00 H new ATOM 0 HG LEU A 42 2.745 8.689 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.836 7.691 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.241 7.195 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.891 6.064 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.633 8.102 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.690 6.474 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.469 7.900 1.062 1.00 0.00 H new ATOM 609 N GLY A 43 4.810 9.473 1.060 1.00 0.00 N ATOM 610 CA GLY A 43 5.853 10.097 0.196 1.00 0.00 C ATOM 611 C GLY A 43 7.083 10.436 1.038 1.00 0.00 C ATOM 612 O GLY A 43 8.208 10.273 0.607 1.00 0.00 O ATOM 0 H GLY A 43 3.997 10.059 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.128 9.415 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.460 11.000 -0.271 1.00 0.00 H new ATOM 616 N THR A 44 6.881 10.905 2.238 1.00 0.00 N ATOM 617 CA THR A 44 8.039 11.255 3.108 1.00 0.00 C ATOM 618 C THR A 44 8.665 9.978 3.673 1.00 0.00 C ATOM 619 O THR A 44 9.643 10.021 4.394 1.00 0.00 O ATOM 620 CB THR A 44 7.560 12.140 4.261 1.00 0.00 C ATOM 621 OG1 THR A 44 6.283 11.695 4.694 1.00 0.00 O ATOM 622 CG2 THR A 44 7.463 13.591 3.787 1.00 0.00 C ATOM 0 H THR A 44 5.963 11.061 2.654 1.00 0.00 H new ATOM 0 HA THR A 44 8.783 11.792 2.519 1.00 0.00 H new ATOM 0 HB THR A 44 8.268 12.078 5.087 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.595 12.317 4.377 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.122 14.220 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.443 13.931 3.453 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.755 13.657 2.961 1.00 0.00 H new ATOM 630 N VAL A 45 8.113 8.841 3.350 1.00 0.00 N ATOM 631 CA VAL A 45 8.679 7.564 3.866 1.00 0.00 C ATOM 632 C VAL A 45 9.728 7.048 2.879 1.00 0.00 C ATOM 633 O VAL A 45 10.749 6.514 3.264 1.00 0.00 O ATOM 634 CB VAL A 45 7.558 6.532 4.015 1.00 0.00 C ATOM 635 CG1 VAL A 45 8.149 5.191 4.452 1.00 0.00 C ATOM 636 CG2 VAL A 45 6.560 7.017 5.070 1.00 0.00 C ATOM 0 H VAL A 45 7.294 8.742 2.751 1.00 0.00 H new ATOM 0 HA VAL A 45 9.143 7.731 4.838 1.00 0.00 H new ATOM 0 HB VAL A 45 7.049 6.408 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.349 4.458 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.861 4.846 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.658 5.312 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.760 6.284 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.071 7.140 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.137 7.972 4.759 1.00 0.00 H new ATOM 646 N MET A 46 9.483 7.209 1.608 1.00 0.00 N ATOM 647 CA MET A 46 10.464 6.736 0.592 1.00 0.00 C ATOM 648 C MET A 46 11.453 7.860 0.276 1.00 0.00 C ATOM 649 O MET A 46 12.501 7.635 -0.296 1.00 0.00 O ATOM 650 CB MET A 46 9.720 6.333 -0.683 1.00 0.00 C ATOM 651 CG MET A 46 9.178 4.912 -0.530 1.00 0.00 C ATOM 652 SD MET A 46 8.037 4.849 0.874 1.00 0.00 S ATOM 653 CE MET A 46 6.524 5.224 -0.044 1.00 0.00 C ATOM 0 H MET A 46 8.644 7.648 1.229 1.00 0.00 H new ATOM 0 HA MET A 46 11.008 5.876 0.982 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.902 7.027 -0.874 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.391 6.387 -1.541 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.666 4.607 -1.442 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.000 4.213 -0.376 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.698 5.359 0.655 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.665 6.139 -0.620 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.295 4.401 -0.721 1.00 0.00 H new ATOM 663 N ARG A 47 11.128 9.071 0.643 1.00 0.00 N ATOM 664 CA ARG A 47 12.050 10.208 0.363 1.00 0.00 C ATOM 665 C ARG A 47 13.331 10.043 1.182 1.00 0.00 C ATOM 666 O ARG A 47 14.397 10.465 0.781 1.00 0.00 O ATOM 667 CB ARG A 47 11.364 11.526 0.741 1.00 0.00 C ATOM 668 CG ARG A 47 11.277 11.652 2.266 1.00 0.00 C ATOM 669 CD ARG A 47 10.954 13.100 2.640 1.00 0.00 C ATOM 670 NE ARG A 47 9.915 13.633 1.715 1.00 0.00 N ATOM 671 CZ ARG A 47 9.717 14.920 1.621 1.00 0.00 C ATOM 672 NH1 ARG A 47 10.455 15.752 2.304 1.00 0.00 N ATOM 673 NH2 ARG A 47 8.774 15.378 0.842 1.00 0.00 N ATOM 0 H ARG A 47 10.264 9.321 1.124 1.00 0.00 H new ATOM 0 HA ARG A 47 12.300 10.220 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.922 12.367 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.365 11.563 0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.507 10.985 2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.220 11.349 2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.600 13.150 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.855 13.711 2.583 1.00 0.00 H new ATOM 0 HE ARG A 47 9.357 12.990 1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.191 15.398 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.296 16.757 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.194 14.731 0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.618 16.383 0.767 1.00 0.00 H new ATOM 687 N MET A 48 13.227 9.438 2.334 1.00 0.00 N ATOM 688 CA MET A 48 14.431 9.249 3.193 1.00 0.00 C ATOM 689 C MET A 48 15.628 8.833 2.335 1.00 0.00 C ATOM 690 O MET A 48 16.371 9.663 1.849 1.00 0.00 O ATOM 691 CB MET A 48 14.145 8.158 4.228 1.00 0.00 C ATOM 692 CG MET A 48 13.337 8.752 5.384 1.00 0.00 C ATOM 693 SD MET A 48 12.362 7.445 6.171 1.00 0.00 S ATOM 694 CE MET A 48 13.713 6.679 7.100 1.00 0.00 C ATOM 0 H MET A 48 12.359 9.066 2.718 1.00 0.00 H new ATOM 0 HA MET A 48 14.663 10.187 3.697 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.592 7.340 3.766 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.081 7.741 4.601 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.006 9.210 6.112 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.680 9.540 5.016 1.00 0.00 H new ATOM 0 HE1 MET A 48 13.326 5.844 7.683 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.472 6.316 6.406 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.157 7.415 7.770 1.00 0.00 H new ATOM 704 N LEU A 49 15.826 7.556 2.149 1.00 0.00 N ATOM 705 CA LEU A 49 16.985 7.095 1.327 1.00 0.00 C ATOM 706 C LEU A 49 16.589 7.010 -0.149 1.00 0.00 C ATOM 707 O LEU A 49 16.878 6.042 -0.824 1.00 0.00 O ATOM 708 CB LEU A 49 17.493 5.724 1.814 1.00 0.00 C ATOM 709 CG LEU A 49 16.343 4.729 2.065 1.00 0.00 C ATOM 710 CD1 LEU A 49 15.793 4.916 3.479 1.00 0.00 C ATOM 711 CD2 LEU A 49 15.215 4.921 1.041 1.00 0.00 C ATOM 0 H LEU A 49 15.239 6.813 2.528 1.00 0.00 H new ATOM 0 HA LEU A 49 17.790 7.822 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.175 5.308 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.063 5.856 2.733 1.00 0.00 H new ATOM 0 HG LEU A 49 16.737 3.718 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.981 4.210 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.587 4.738 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.419 5.934 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.417 4.206 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.822 5.935 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.604 4.758 0.036 1.00 0.00 H new ATOM 723 N GLY A 50 15.937 8.017 -0.659 1.00 0.00 N ATOM 724 CA GLY A 50 15.532 7.992 -2.092 1.00 0.00 C ATOM 725 C GLY A 50 15.657 9.396 -2.681 1.00 0.00 C ATOM 726 O GLY A 50 16.743 9.911 -2.863 1.00 0.00 O ATOM 0 H GLY A 50 15.667 8.856 -0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.161 7.296 -2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.506 7.637 -2.185 1.00 0.00 H new ATOM 730 N GLN A 51 14.553 10.023 -2.975 1.00 0.00 N ATOM 731 CA GLN A 51 14.597 11.396 -3.548 1.00 0.00 C ATOM 732 C GLN A 51 13.398 12.156 -3.028 1.00 0.00 C ATOM 733 O GLN A 51 12.334 11.588 -2.883 1.00 0.00 O ATOM 734 CB GLN A 51 14.475 11.341 -5.074 1.00 0.00 C ATOM 735 CG GLN A 51 14.845 9.951 -5.599 1.00 0.00 C ATOM 736 CD GLN A 51 16.368 9.806 -5.632 1.00 0.00 C ATOM 737 OE1 GLN A 51 16.924 8.741 -5.123 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 17.061 10.673 -6.127 1.00 0.00 N flip ATOM 0 H GLN A 51 13.617 9.641 -2.842 1.00 0.00 H new ATOM 0 HA GLN A 51 15.538 11.871 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.456 11.587 -5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 51 15.128 12.090 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.410 9.182 -4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.434 9.807 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.628 11.506 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 51 18.075 10.567 -6.144 1.00 0.00 H new ATOM 747 N ASN A 52 13.501 13.429 -2.770 1.00 0.00 N ATOM 748 CA ASN A 52 12.271 14.096 -2.308 1.00 0.00 C ATOM 749 C ASN A 52 11.261 13.896 -3.434 1.00 0.00 C ATOM 750 O ASN A 52 11.556 14.187 -4.576 1.00 0.00 O ATOM 751 CB ASN A 52 12.529 15.588 -2.104 1.00 0.00 C ATOM 752 CG ASN A 52 13.363 15.794 -0.838 1.00 0.00 C ATOM 753 OD1 ASN A 52 14.573 15.690 -0.871 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.763 16.081 0.285 1.00 0.00 N ATOM 0 H ASN A 52 14.339 14.005 -2.855 1.00 0.00 H new ATOM 0 HA ASN A 52 11.918 13.690 -1.360 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.052 15.999 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.583 16.123 -2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.310 16.218 1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.747 16.168 0.313 1.00 0.00 H new ATOM 761 N PRO A 53 10.110 13.403 -3.099 1.00 0.00 N ATOM 762 CA PRO A 53 9.060 13.157 -4.084 1.00 0.00 C ATOM 763 C PRO A 53 8.172 14.395 -4.243 1.00 0.00 C ATOM 764 O PRO A 53 8.053 15.206 -3.347 1.00 0.00 O ATOM 765 CB PRO A 53 8.299 11.983 -3.470 1.00 0.00 C ATOM 766 CG PRO A 53 8.575 12.030 -1.945 1.00 0.00 C ATOM 767 CD PRO A 53 9.758 12.989 -1.733 1.00 0.00 C ATOM 0 HA PRO A 53 9.430 12.942 -5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.231 12.063 -3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.634 11.038 -3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.695 12.378 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.811 11.036 -1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.478 13.842 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.592 12.494 -1.236 1.00 0.00 H new ATOM 775 N THR A 54 7.561 14.549 -5.385 1.00 0.00 N ATOM 776 CA THR A 54 6.693 15.737 -5.618 1.00 0.00 C ATOM 777 C THR A 54 5.266 15.440 -5.163 1.00 0.00 C ATOM 778 O THR A 54 4.878 14.299 -5.007 1.00 0.00 O ATOM 779 CB THR A 54 6.678 16.057 -7.112 1.00 0.00 C ATOM 780 OG1 THR A 54 8.009 16.056 -7.610 1.00 0.00 O ATOM 781 CG2 THR A 54 6.044 17.428 -7.337 1.00 0.00 C ATOM 0 H THR A 54 7.626 13.901 -6.170 1.00 0.00 H new ATOM 0 HA THR A 54 7.084 16.583 -5.052 1.00 0.00 H new ATOM 0 HB THR A 54 6.095 15.302 -7.639 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.000 16.259 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.035 17.654 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.022 17.423 -6.958 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.622 18.187 -6.810 1.00 0.00 H new ATOM 789 N LYS A 55 4.473 16.458 -4.964 1.00 0.00 N ATOM 790 CA LYS A 55 3.066 16.227 -4.540 1.00 0.00 C ATOM 791 C LYS A 55 2.357 15.438 -5.635 1.00 0.00 C ATOM 792 O LYS A 55 1.509 14.608 -5.372 1.00 0.00 O ATOM 793 CB LYS A 55 2.357 17.567 -4.342 1.00 0.00 C ATOM 794 CG LYS A 55 0.926 17.324 -3.855 1.00 0.00 C ATOM 795 CD LYS A 55 0.103 18.600 -4.035 1.00 0.00 C ATOM 796 CE LYS A 55 -1.039 18.621 -3.017 1.00 0.00 C ATOM 797 NZ LYS A 55 -0.616 19.391 -1.813 1.00 0.00 N ATOM 0 H LYS A 55 4.739 17.436 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 55 3.048 15.674 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.900 18.174 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.343 18.125 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.474 16.505 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.933 17.028 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.738 19.476 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.298 18.647 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.926 19.074 -3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.308 17.603 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.392 19.406 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.219 18.940 -1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.380 20.365 -2.089 1.00 0.00 H new ATOM 811 N GLU A 56 2.712 15.686 -6.864 1.00 0.00 N ATOM 812 CA GLU A 56 2.078 14.946 -7.986 1.00 0.00 C ATOM 813 C GLU A 56 2.780 13.600 -8.138 1.00 0.00 C ATOM 814 O GLU A 56 2.267 12.681 -8.744 1.00 0.00 O ATOM 815 CB GLU A 56 2.223 15.751 -9.279 1.00 0.00 C ATOM 816 CG GLU A 56 1.147 15.320 -10.277 1.00 0.00 C ATOM 817 CD GLU A 56 1.647 15.555 -11.704 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.758 16.037 -11.850 1.00 0.00 O ATOM 819 OE2 GLU A 56 0.911 15.249 -12.627 1.00 0.00 O ATOM 0 H GLU A 56 3.416 16.371 -7.139 1.00 0.00 H new ATOM 0 HA GLU A 56 1.018 14.793 -7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.131 16.816 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.213 15.595 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.905 14.267 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.230 15.884 -10.105 1.00 0.00 H new ATOM 826 N GLU A 57 3.957 13.479 -7.583 1.00 0.00 N ATOM 827 CA GLU A 57 4.701 12.195 -7.684 1.00 0.00 C ATOM 828 C GLU A 57 3.914 11.103 -6.956 1.00 0.00 C ATOM 829 O GLU A 57 3.827 9.979 -7.410 1.00 0.00 O ATOM 830 CB GLU A 57 6.078 12.352 -7.035 1.00 0.00 C ATOM 831 CG GLU A 57 6.916 11.100 -7.302 1.00 0.00 C ATOM 832 CD GLU A 57 6.962 10.823 -8.805 1.00 0.00 C ATOM 833 OE1 GLU A 57 6.008 10.257 -9.313 1.00 0.00 O ATOM 834 OE2 GLU A 57 7.950 11.182 -9.424 1.00 0.00 O ATOM 0 H GLU A 57 4.434 14.216 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 57 4.825 11.922 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.582 13.232 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.970 12.508 -5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.926 11.238 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.488 10.245 -6.778 1.00 0.00 H new ATOM 841 N LEU A 58 3.338 11.428 -5.831 1.00 0.00 N ATOM 842 CA LEU A 58 2.553 10.416 -5.070 1.00 0.00 C ATOM 843 C LEU A 58 1.170 10.263 -5.707 1.00 0.00 C ATOM 844 O LEU A 58 0.523 9.246 -5.567 1.00 0.00 O ATOM 845 CB LEU A 58 2.395 10.877 -3.620 1.00 0.00 C ATOM 846 CG LEU A 58 3.731 10.734 -2.888 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.265 9.313 -3.074 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.737 11.734 -3.465 1.00 0.00 C ATOM 0 H LEU A 58 3.378 12.354 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 58 3.075 9.459 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.063 11.915 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.630 10.283 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 58 3.586 10.933 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.217 9.211 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.549 8.599 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.410 9.115 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.689 11.633 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.881 11.534 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.358 12.748 -3.335 1.00 0.00 H new ATOM 860 N ASP A 59 0.713 11.266 -6.405 1.00 0.00 N ATOM 861 CA ASP A 59 -0.628 11.174 -7.049 1.00 0.00 C ATOM 862 C ASP A 59 -0.624 10.032 -8.068 1.00 0.00 C ATOM 863 O ASP A 59 -1.652 9.475 -8.394 1.00 0.00 O ATOM 864 CB ASP A 59 -0.943 12.492 -7.760 1.00 0.00 C ATOM 865 CG ASP A 59 -2.259 12.359 -8.528 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.345 11.481 -9.372 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.160 13.138 -8.262 1.00 0.00 O ATOM 0 H ASP A 59 1.209 12.144 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.386 10.982 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.015 13.301 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.135 12.750 -8.445 1.00 0.00 H new ATOM 872 N ALA A 60 0.528 9.677 -8.573 1.00 0.00 N ATOM 873 CA ALA A 60 0.596 8.571 -9.568 1.00 0.00 C ATOM 874 C ALA A 60 0.204 7.255 -8.895 1.00 0.00 C ATOM 875 O ALA A 60 -0.661 6.541 -9.361 1.00 0.00 O ATOM 876 CB ALA A 60 2.021 8.463 -10.113 1.00 0.00 C ATOM 0 H ALA A 60 1.423 10.106 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.091 8.777 -10.389 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.072 7.654 -10.841 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.299 9.401 -10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.709 8.257 -9.293 1.00 0.00 H new ATOM 882 N ILE A 61 0.828 6.932 -7.797 1.00 0.00 N ATOM 883 CA ILE A 61 0.484 5.665 -7.093 1.00 0.00 C ATOM 884 C ILE A 61 -0.924 5.785 -6.513 1.00 0.00 C ATOM 885 O ILE A 61 -1.637 4.811 -6.373 1.00 0.00 O ATOM 886 CB ILE A 61 1.474 5.422 -5.953 1.00 0.00 C ATOM 887 CG1 ILE A 61 2.849 5.957 -6.343 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.578 3.927 -5.667 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.134 7.215 -5.531 1.00 0.00 C ATOM 0 H ILE A 61 1.560 7.489 -7.357 1.00 0.00 H new ATOM 0 HA ILE A 61 0.531 4.834 -7.797 1.00 0.00 H new ATOM 0 HB ILE A 61 1.121 5.938 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.614 5.204 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.878 6.181 -7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.285 3.760 -4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.599 3.542 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.925 3.409 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.114 7.608 -5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.372 7.965 -5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.120 6.973 -4.468 1.00 0.00 H new ATOM 901 N ILE A 62 -1.328 6.977 -6.170 1.00 0.00 N ATOM 902 CA ILE A 62 -2.686 7.164 -5.595 1.00 0.00 C ATOM 903 C ILE A 62 -3.731 6.735 -6.626 1.00 0.00 C ATOM 904 O ILE A 62 -4.707 6.087 -6.305 1.00 0.00 O ATOM 905 CB ILE A 62 -2.889 8.637 -5.232 1.00 0.00 C ATOM 906 CG1 ILE A 62 -2.073 8.965 -3.981 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.369 8.902 -4.950 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.478 8.020 -2.847 1.00 0.00 C ATOM 0 H ILE A 62 -0.775 7.829 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.793 6.557 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.562 9.261 -6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.008 8.863 -4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.242 10.000 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.508 9.952 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.956 8.665 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.699 8.278 -4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.897 8.253 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.539 8.144 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.286 6.990 -3.146 1.00 0.00 H new ATOM 920 N GLU A 63 -3.533 7.090 -7.865 1.00 0.00 N ATOM 921 CA GLU A 63 -4.512 6.700 -8.917 1.00 0.00 C ATOM 922 C GLU A 63 -4.391 5.198 -9.185 1.00 0.00 C ATOM 923 O GLU A 63 -5.232 4.601 -9.827 1.00 0.00 O ATOM 924 CB GLU A 63 -4.211 7.474 -10.203 1.00 0.00 C ATOM 925 CG GLU A 63 -4.726 8.908 -10.068 1.00 0.00 C ATOM 926 CD GLU A 63 -6.026 9.060 -10.860 1.00 0.00 C ATOM 927 OE1 GLU A 63 -5.946 9.226 -12.066 1.00 0.00 O ATOM 928 OE2 GLU A 63 -7.080 9.005 -10.248 1.00 0.00 O ATOM 0 H GLU A 63 -2.735 7.634 -8.194 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.523 6.932 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.138 7.478 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.685 6.985 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.897 9.147 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.979 9.610 -10.437 1.00 0.00 H new ATOM 935 N GLU A 64 -3.348 4.586 -8.695 1.00 0.00 N ATOM 936 CA GLU A 64 -3.166 3.124 -8.917 1.00 0.00 C ATOM 937 C GLU A 64 -4.081 2.344 -7.970 1.00 0.00 C ATOM 938 O GLU A 64 -4.748 1.409 -8.367 1.00 0.00 O ATOM 939 CB GLU A 64 -1.708 2.750 -8.642 1.00 0.00 C ATOM 940 CG GLU A 64 -1.511 1.251 -8.876 1.00 0.00 C ATOM 941 CD GLU A 64 -2.102 0.863 -10.233 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.278 0.541 -10.272 1.00 0.00 O ATOM 943 OE2 GLU A 64 -1.370 0.896 -11.208 1.00 0.00 O ATOM 0 H GLU A 64 -2.613 5.036 -8.150 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.419 2.877 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.046 3.320 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.443 3.006 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.450 1.004 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.993 0.682 -8.081 1.00 0.00 H new ATOM 950 N VAL A 65 -4.118 2.719 -6.721 1.00 0.00 N ATOM 951 CA VAL A 65 -4.989 1.998 -5.751 1.00 0.00 C ATOM 952 C VAL A 65 -6.104 2.932 -5.280 1.00 0.00 C ATOM 953 O VAL A 65 -7.256 2.552 -5.210 1.00 0.00 O ATOM 954 CB VAL A 65 -4.159 1.549 -4.545 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.566 0.165 -4.819 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.025 2.548 -4.303 1.00 0.00 C ATOM 0 H VAL A 65 -3.582 3.494 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.423 1.123 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.798 1.504 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.975 -0.154 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.372 -0.549 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.928 0.211 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.435 2.228 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.387 2.594 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.445 3.535 -4.107 1.00 0.00 H new ATOM 966 N ASP A 66 -5.770 4.153 -4.955 1.00 0.00 N ATOM 967 CA ASP A 66 -6.812 5.111 -4.490 1.00 0.00 C ATOM 968 C ASP A 66 -7.551 5.687 -5.700 1.00 0.00 C ATOM 969 O ASP A 66 -7.355 6.825 -6.075 1.00 0.00 O ATOM 970 CB ASP A 66 -6.148 6.250 -3.715 1.00 0.00 C ATOM 971 CG ASP A 66 -5.214 5.667 -2.653 1.00 0.00 C ATOM 972 OD1 ASP A 66 -5.708 4.996 -1.762 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.020 5.899 -2.752 1.00 0.00 O ATOM 0 H ASP A 66 -4.822 4.527 -4.992 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.519 4.592 -3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.587 6.889 -4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.907 6.875 -3.244 1.00 0.00 H new ATOM 978 N GLU A 67 -8.400 4.908 -6.313 1.00 0.00 N ATOM 979 CA GLU A 67 -9.150 5.410 -7.498 1.00 0.00 C ATOM 980 C GLU A 67 -10.252 6.366 -7.037 1.00 0.00 C ATOM 981 O GLU A 67 -10.733 7.184 -7.795 1.00 0.00 O ATOM 982 CB GLU A 67 -9.776 4.227 -8.238 1.00 0.00 C ATOM 983 CG GLU A 67 -10.169 4.657 -9.653 1.00 0.00 C ATOM 984 CD GLU A 67 -8.980 4.457 -10.595 1.00 0.00 C ATOM 985 OE1 GLU A 67 -8.638 3.316 -10.851 1.00 0.00 O ATOM 986 OE2 GLU A 67 -8.432 5.451 -11.043 1.00 0.00 O ATOM 0 H GLU A 67 -8.606 3.946 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.469 5.938 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.070 3.398 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.653 3.871 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.022 4.073 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.476 5.703 -9.655 1.00 0.00 H new ATOM 993 N ASP A 68 -10.654 6.272 -5.799 1.00 0.00 N ATOM 994 CA ASP A 68 -11.723 7.177 -5.293 1.00 0.00 C ATOM 995 C ASP A 68 -11.263 8.630 -5.420 1.00 0.00 C ATOM 996 O ASP A 68 -12.063 9.544 -5.442 1.00 0.00 O ATOM 997 CB ASP A 68 -12.008 6.859 -3.823 1.00 0.00 C ATOM 998 CG ASP A 68 -12.616 5.459 -3.715 1.00 0.00 C ATOM 999 OD1 ASP A 68 -12.432 4.682 -4.636 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -13.254 5.189 -2.711 1.00 0.00 O ATOM 0 H ASP A 68 -10.288 5.608 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.630 7.030 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.087 6.913 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.692 7.598 -3.406 1.00 0.00 H new ATOM 1005 N GLY A 69 -9.980 8.851 -5.503 1.00 0.00 N ATOM 1006 CA GLY A 69 -9.470 10.246 -5.629 1.00 0.00 C ATOM 1007 C GLY A 69 -9.247 10.839 -4.236 1.00 0.00 C ATOM 1008 O GLY A 69 -9.253 12.040 -4.054 1.00 0.00 O ATOM 0 H GLY A 69 -9.263 8.126 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.537 10.253 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.182 10.856 -6.185 1.00 0.00 H new ATOM 1012 N SER A 70 -9.046 10.006 -3.251 1.00 0.00 N ATOM 1013 CA SER A 70 -8.819 10.525 -1.873 1.00 0.00 C ATOM 1014 C SER A 70 -7.340 10.879 -1.704 1.00 0.00 C ATOM 1015 O SER A 70 -6.997 11.940 -1.221 1.00 0.00 O ATOM 1016 CB SER A 70 -9.207 9.453 -0.855 1.00 0.00 C ATOM 1017 OG SER A 70 -10.525 9.707 -0.385 1.00 0.00 O ATOM 0 H SER A 70 -9.029 8.990 -3.341 1.00 0.00 H new ATOM 0 HA SER A 70 -9.428 11.414 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.156 8.465 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.504 9.455 -0.022 1.00 0.00 H new ATOM 0 HG SER A 70 -10.778 9.020 0.267 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.463 9.999 -2.099 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.007 10.285 -1.964 1.00 0.00 C ATOM 1025 C GLY A 71 -4.453 9.570 -0.730 1.00 0.00 C ATOM 1026 O GLY A 71 -3.482 9.995 -0.139 1.00 0.00 O ATOM 0 H GLY A 71 -6.691 9.094 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.477 9.953 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.844 11.359 -1.877 1.00 0.00 H new ATOM 1030 N THR A 72 -5.063 8.485 -0.338 1.00 0.00 N ATOM 1031 CA THR A 72 -4.566 7.746 0.857 1.00 0.00 C ATOM 1032 C THR A 72 -5.047 6.294 0.797 1.00 0.00 C ATOM 1033 O THR A 72 -6.120 6.005 0.306 1.00 0.00 O ATOM 1034 CB THR A 72 -5.089 8.408 2.139 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.331 7.408 3.118 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.390 9.162 1.847 1.00 0.00 C ATOM 0 H THR A 72 -5.881 8.079 -0.792 1.00 0.00 H new ATOM 0 HA THR A 72 -3.476 7.770 0.863 1.00 0.00 H new ATOM 0 HB THR A 72 -4.344 9.113 2.508 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.492 6.949 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.754 9.628 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.204 9.931 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.139 8.464 1.473 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.257 5.378 1.290 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.664 3.945 1.259 1.00 0.00 C ATOM 1046 C ILE A 73 -4.592 3.358 2.669 1.00 0.00 C ATOM 1047 O ILE A 73 -3.886 3.854 3.524 1.00 0.00 O ATOM 1048 CB ILE A 73 -3.721 3.161 0.341 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -3.213 4.073 -0.779 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -4.470 1.975 -0.271 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.762 4.468 -0.499 1.00 0.00 C ATOM 0 H ILE A 73 -3.347 5.561 1.713 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.685 3.873 0.884 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.875 2.797 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.283 3.561 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.837 4.964 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.798 1.418 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.828 1.321 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.318 2.340 -0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.401 5.117 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.706 4.997 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.143 3.572 -0.453 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.313 2.298 2.917 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.279 1.672 4.268 1.00 0.00 C ATOM 1065 C ASP A 74 -4.343 0.462 4.233 1.00 0.00 C ATOM 1066 O ASP A 74 -3.501 0.346 3.364 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.690 1.221 4.658 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.675 2.366 4.418 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -8.072 2.551 3.280 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.015 3.038 5.378 1.00 0.00 O ATOM 0 H ASP A 74 -5.924 1.839 2.241 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.918 2.394 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.980 0.349 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.711 0.922 5.706 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.475 -0.441 5.166 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.583 -1.635 5.168 1.00 0.00 C ATOM 1077 C PHE A 75 -4.202 -2.739 4.302 1.00 0.00 C ATOM 1078 O PHE A 75 -3.639 -3.803 4.140 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.380 -2.121 6.616 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.373 -3.209 6.966 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -5.748 -2.967 6.858 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.914 -4.461 7.393 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -6.663 -3.976 7.179 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -4.830 -5.471 7.714 1.00 0.00 C ATOM 1085 CZ PHE A 75 -6.204 -5.228 7.607 1.00 0.00 C ATOM 0 H PHE A 75 -5.158 -0.404 5.923 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.611 -1.373 4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.364 -2.497 6.738 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.495 -1.284 7.304 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.102 -2.002 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.853 -4.648 7.475 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.724 -3.789 7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.476 -6.437 8.044 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.911 -6.006 7.855 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.359 -2.495 3.747 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.011 -3.531 2.896 1.00 0.00 C ATOM 1097 C GLU A 76 -5.527 -3.379 1.453 1.00 0.00 C ATOM 1098 O GLU A 76 -4.981 -4.295 0.872 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.528 -3.351 2.950 1.00 0.00 C ATOM 1100 CG GLU A 76 -7.985 -3.311 4.410 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.486 -3.024 4.469 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -10.254 -3.971 4.397 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -9.844 -1.864 4.585 1.00 0.00 O ATOM 0 H GLU A 76 -5.880 -1.624 3.846 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.751 -4.524 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.814 -2.430 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.021 -4.170 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.767 -4.262 4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.436 -2.542 4.953 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.725 -2.229 0.868 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.274 -2.023 -0.537 1.00 0.00 C ATOM 1112 C GLU A 77 -3.746 -2.088 -0.592 1.00 0.00 C ATOM 1113 O GLU A 77 -3.169 -2.567 -1.547 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.747 -0.653 -1.029 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.023 -0.822 -1.859 1.00 0.00 C ATOM 1116 CD GLU A 77 -8.120 0.088 -1.301 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -7.874 1.277 -1.188 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -9.187 -0.420 -0.999 1.00 0.00 O ATOM 0 H GLU A 77 -6.179 -1.425 1.302 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.695 -2.801 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.937 0.005 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.969 -0.182 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.826 -0.575 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.351 -1.861 -1.834 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.089 -1.609 0.428 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.599 -1.643 0.439 1.00 0.00 C ATOM 1127 C PHE A 78 -1.116 -3.047 0.066 1.00 0.00 C ATOM 1128 O PHE A 78 -0.028 -3.222 -0.447 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.092 -1.286 1.838 1.00 0.00 C ATOM 1130 CG PHE A 78 0.120 -0.394 1.725 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.080 0.744 0.910 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.286 -0.704 2.437 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.204 1.570 0.807 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.410 0.123 2.333 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.369 1.261 1.518 1.00 0.00 C ATOM 0 H PHE A 78 -3.520 -1.195 1.255 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.215 -0.923 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.876 -0.781 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.838 -2.193 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.819 0.984 0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.317 -1.581 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.173 2.447 0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.309 -0.116 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.236 1.900 1.438 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.914 -4.048 0.319 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.497 -5.438 -0.020 1.00 0.00 C ATOM 1147 C LEU A 79 -1.574 -5.643 -1.534 1.00 0.00 C ATOM 1148 O LEU A 79 -0.636 -6.103 -2.156 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.428 -6.434 0.674 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.838 -6.832 2.028 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -2.004 -5.677 3.016 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -2.574 -8.065 2.558 1.00 0.00 C ATOM 0 H LEU A 79 -2.837 -3.963 0.746 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.473 -5.599 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.414 -5.990 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.561 -7.318 0.050 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.779 -7.060 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.584 -5.960 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.484 -4.797 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.063 -5.449 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.156 -8.351 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.633 -7.834 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.458 -8.889 1.854 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.684 -5.310 -2.133 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.822 -5.489 -3.606 1.00 0.00 C ATOM 1166 C VAL A 80 -1.677 -4.766 -4.319 1.00 0.00 C ATOM 1167 O VAL A 80 -1.383 -5.031 -5.467 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.159 -4.907 -4.067 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -5.301 -5.557 -3.282 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.170 -3.397 -3.822 1.00 0.00 C ATOM 0 H VAL A 80 -3.503 -4.921 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.785 -6.551 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.291 -5.105 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.253 -5.141 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.296 -6.633 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.169 -5.361 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.123 -2.982 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.036 -3.200 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.359 -2.932 -4.382 1.00 0.00 H new ATOM 1180 N MET A 81 -1.032 -3.852 -3.648 1.00 0.00 N ATOM 1181 CA MET A 81 0.091 -3.110 -4.289 1.00 0.00 C ATOM 1182 C MET A 81 1.386 -3.914 -4.148 1.00 0.00 C ATOM 1183 O MET A 81 2.098 -4.132 -5.107 1.00 0.00 O ATOM 1184 CB MET A 81 0.257 -1.752 -3.605 1.00 0.00 C ATOM 1185 CG MET A 81 1.574 -1.112 -4.050 1.00 0.00 C ATOM 1186 SD MET A 81 1.406 0.690 -4.027 1.00 0.00 S ATOM 1187 CE MET A 81 1.175 0.873 -2.241 1.00 0.00 C ATOM 0 H MET A 81 -1.234 -3.587 -2.684 1.00 0.00 H new ATOM 0 HA MET A 81 -0.129 -2.963 -5.346 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.580 -1.101 -3.859 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.248 -1.875 -2.522 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.383 -1.421 -3.388 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.835 -1.451 -5.052 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.469 1.878 -1.937 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.127 0.711 -1.991 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.790 0.141 -1.718 1.00 0.00 H new ATOM 1197 N MET A 82 1.700 -4.355 -2.958 1.00 0.00 N ATOM 1198 CA MET A 82 2.953 -5.140 -2.762 1.00 0.00 C ATOM 1199 C MET A 82 2.734 -6.588 -3.208 1.00 0.00 C ATOM 1200 O MET A 82 3.628 -7.408 -3.136 1.00 0.00 O ATOM 1201 CB MET A 82 3.345 -5.116 -1.282 1.00 0.00 C ATOM 1202 CG MET A 82 2.368 -5.977 -0.477 1.00 0.00 C ATOM 1203 SD MET A 82 3.207 -7.483 0.074 1.00 0.00 S ATOM 1204 CE MET A 82 2.630 -7.450 1.789 1.00 0.00 C ATOM 0 H MET A 82 1.144 -4.206 -2.116 1.00 0.00 H new ATOM 0 HA MET A 82 3.751 -4.697 -3.358 1.00 0.00 H new ATOM 0 HB2 MET A 82 4.361 -5.490 -1.159 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.335 -4.092 -0.909 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.997 -5.419 0.383 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.503 -6.233 -1.088 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.487 -7.484 2.462 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.066 -6.534 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.989 -8.312 1.974 1.00 0.00 H new ATOM 1214 N VAL A 83 1.557 -6.912 -3.669 1.00 0.00 N ATOM 1215 CA VAL A 83 1.294 -8.310 -4.116 1.00 0.00 C ATOM 1216 C VAL A 83 1.922 -8.532 -5.493 1.00 0.00 C ATOM 1217 O VAL A 83 2.299 -9.634 -5.843 1.00 0.00 O ATOM 1218 CB VAL A 83 -0.215 -8.549 -4.198 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.486 -9.863 -4.935 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.794 -8.634 -2.784 1.00 0.00 C ATOM 0 H VAL A 83 0.768 -6.272 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 83 1.731 -9.006 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.683 -7.726 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.561 -10.033 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.073 -9.807 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.017 -10.686 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.869 -8.804 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.324 -9.458 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.602 -7.700 -2.255 1.00 0.00 H new ATOM 1230 N ARG A 84 2.040 -7.497 -6.280 1.00 0.00 N ATOM 1231 CA ARG A 84 2.645 -7.654 -7.633 1.00 0.00 C ATOM 1232 C ARG A 84 4.049 -8.251 -7.494 1.00 0.00 C ATOM 1233 O ARG A 84 4.217 -9.453 -7.429 1.00 0.00 O ATOM 1234 CB ARG A 84 2.732 -6.288 -8.315 1.00 0.00 C ATOM 1235 CG ARG A 84 1.414 -5.993 -9.034 1.00 0.00 C ATOM 1236 CD ARG A 84 1.188 -4.482 -9.090 1.00 0.00 C ATOM 1237 NE ARG A 84 0.833 -4.083 -10.481 1.00 0.00 N ATOM 1238 CZ ARG A 84 0.494 -2.850 -10.740 1.00 0.00 C ATOM 1239 NH1 ARG A 84 0.097 -2.066 -9.776 1.00 0.00 N ATOM 1240 NH2 ARG A 84 0.555 -2.399 -11.964 1.00 0.00 N ATOM 0 H ARG A 84 1.744 -6.550 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 84 2.026 -8.318 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.937 -5.513 -7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.558 -6.277 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.438 -6.405 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.587 -6.476 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.390 -4.197 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.087 -3.957 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 84 0.855 -4.774 -11.231 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.052 -2.417 -8.819 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.168 -1.102 -9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.868 -3.011 -12.718 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.290 -1.435 -12.166 1.00 0.00 H new ATOM 1254 N GLN A 85 5.058 -7.425 -7.443 1.00 0.00 N ATOM 1255 CA GLN A 85 6.445 -7.953 -7.304 1.00 0.00 C ATOM 1256 C GLN A 85 6.671 -8.402 -5.859 1.00 0.00 C ATOM 1257 O GLN A 85 6.688 -7.600 -4.945 1.00 0.00 O ATOM 1258 CB GLN A 85 7.450 -6.856 -7.664 1.00 0.00 C ATOM 1259 CG GLN A 85 7.191 -5.622 -6.798 1.00 0.00 C ATOM 1260 CD GLN A 85 8.473 -5.239 -6.057 1.00 0.00 C ATOM 1261 OE1 GLN A 85 8.932 -4.119 -6.151 1.00 0.00 O ATOM 1262 NE2 GLN A 85 9.074 -6.130 -5.317 1.00 0.00 N ATOM 0 H GLN A 85 4.982 -6.409 -7.491 1.00 0.00 H new ATOM 0 HA GLN A 85 6.583 -8.800 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.467 -7.215 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.360 -6.598 -8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.856 -4.792 -7.420 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.393 -5.827 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.689 -7.071 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.929 -5.885 -4.818 1.00 0.00 H new ATOM 1271 N MET A 86 6.843 -9.678 -5.644 1.00 0.00 N ATOM 1272 CA MET A 86 7.064 -10.175 -4.257 1.00 0.00 C ATOM 1273 C MET A 86 8.506 -9.892 -3.838 1.00 0.00 C ATOM 1274 O MET A 86 9.443 -10.208 -4.545 1.00 0.00 O ATOM 1275 CB MET A 86 6.804 -11.682 -4.211 1.00 0.00 C ATOM 1276 CG MET A 86 5.415 -11.945 -3.625 1.00 0.00 C ATOM 1277 SD MET A 86 5.522 -11.996 -1.819 1.00 0.00 S ATOM 1278 CE MET A 86 3.823 -12.534 -1.502 1.00 0.00 C ATOM 0 H MET A 86 6.840 -10.396 -6.368 1.00 0.00 H new ATOM 0 HA MET A 86 6.383 -9.667 -3.574 1.00 0.00 H new ATOM 0 HB2 MET A 86 6.873 -12.104 -5.214 1.00 0.00 H new ATOM 0 HB3 MET A 86 7.565 -12.174 -3.605 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.723 -11.163 -3.937 1.00 0.00 H new ATOM 0 HG3 MET A 86 5.022 -12.888 -4.003 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.667 -12.632 -0.428 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.127 -11.798 -1.904 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.650 -13.497 -1.983 1.00 0.00 H new ATOM 1288 N LYS A 87 8.694 -9.301 -2.690 1.00 0.00 N ATOM 1289 CA LYS A 87 10.076 -9.002 -2.225 1.00 0.00 C ATOM 1290 C LYS A 87 10.813 -10.314 -1.950 1.00 0.00 C ATOM 1291 O LYS A 87 12.027 -10.374 -1.981 1.00 0.00 O ATOM 1292 CB LYS A 87 10.013 -8.172 -0.942 1.00 0.00 C ATOM 1293 CG LYS A 87 9.149 -6.933 -1.177 1.00 0.00 C ATOM 1294 CD LYS A 87 9.363 -5.937 -0.036 1.00 0.00 C ATOM 1295 CE LYS A 87 8.495 -6.336 1.158 1.00 0.00 C ATOM 1296 NZ LYS A 87 9.035 -5.711 2.399 1.00 0.00 N ATOM 0 H LYS A 87 7.950 -9.013 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 87 10.607 -8.441 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.598 -8.769 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.017 -7.876 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.408 -6.472 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.098 -7.215 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.414 -5.920 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.107 -4.930 -0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.466 -6.016 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.479 -7.421 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.444 -5.983 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.010 -6.037 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.028 -4.676 2.298 1.00 0.00 H new ATOM 1310 N GLU A 88 10.089 -11.367 -1.682 1.00 0.00 N ATOM 1311 CA GLU A 88 10.749 -12.674 -1.408 1.00 0.00 C ATOM 1312 C GLU A 88 11.850 -12.910 -2.442 1.00 0.00 C ATOM 1313 O GLU A 88 12.862 -13.520 -2.159 1.00 0.00 O ATOM 1314 CB GLU A 88 9.715 -13.799 -1.498 1.00 0.00 C ATOM 1315 CG GLU A 88 10.375 -15.130 -1.133 1.00 0.00 C ATOM 1316 CD GLU A 88 9.551 -15.828 -0.049 1.00 0.00 C ATOM 1317 OE1 GLU A 88 8.376 -16.057 -0.281 1.00 0.00 O ATOM 1318 OE2 GLU A 88 10.110 -16.123 0.994 1.00 0.00 O ATOM 0 H GLU A 88 9.070 -11.378 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 88 11.182 -12.661 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.883 -13.597 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.304 -13.849 -2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.448 -15.766 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.391 -14.959 -0.778 1.00 0.00 H new ATOM 1325 N ASP A 89 11.661 -12.427 -3.641 1.00 0.00 N ATOM 1326 CA ASP A 89 12.697 -12.619 -4.693 1.00 0.00 C ATOM 1327 C ASP A 89 12.188 -12.045 -6.018 1.00 0.00 C ATOM 1328 O ASP A 89 12.858 -11.263 -6.664 1.00 0.00 O ATOM 1329 CB ASP A 89 12.983 -14.113 -4.863 1.00 0.00 C ATOM 1330 CG ASP A 89 14.459 -14.312 -5.212 1.00 0.00 C ATOM 1331 OD1 ASP A 89 15.081 -13.354 -5.640 1.00 0.00 O ATOM 1332 OD2 ASP A 89 14.943 -15.419 -5.044 1.00 0.00 O ATOM 0 H ASP A 89 10.834 -11.908 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 89 13.612 -12.105 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.740 -14.648 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.353 -14.528 -5.650 1.00 0.00 H new ATOM 1337 N ALA A 90 11.010 -12.428 -6.428 1.00 0.00 N ATOM 1338 CA ALA A 90 10.460 -11.906 -7.710 1.00 0.00 C ATOM 1339 C ALA A 90 11.538 -11.983 -8.793 1.00 0.00 C ATOM 1340 O ALA A 90 12.456 -12.770 -8.634 1.00 0.00 O ATOM 1341 CB ALA A 90 10.026 -10.450 -7.524 1.00 0.00 C ATOM 1342 OXT ALA A 90 11.424 -11.254 -9.766 1.00 0.00 O ATOM 0 H ALA A 90 10.404 -13.080 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 90 9.600 -12.505 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.623 -10.068 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.260 -10.395 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.885 -9.849 -7.226 1.00 0.00 H new TER 1348 ALA A 90