USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 82 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 31 GLN : amide:sc= 0.668 K(o=1.1,f=-5.4!) USER MOD Set 1.2: A 32 SER OG : rot -12:sc= 0.437 USER MOD Set 2.1: A 20 THR OG1 : rot -81:sc= 1.22 USER MOD Set 2.2: A 30 GLN : amide:sc= 1.75 K(o=2.5,f=-1.8) USER MOD Set 2.3: A 34 GLN : amide:sc= -0.448 K(o=2.5,f=-1.8) USER MOD Single : A 5 SER OG : rot 111:sc= 0.51 USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= 0.123 (180deg=0.0291) USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.0275 (180deg=-0.342) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.0177 (180deg=-0.304) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -69:sc= 0.209 USER MOD Single : A 19 GLN : amide:sc= -4.34! X(o=-4.3!,f=-4.5) USER MOD Single : A 24 THR OG1 : rot 80:sc= 0.0546 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -161:sc= -1.92! USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= 0.182 (180deg=-0.00841) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.364 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.788 5.945 0.963 1.00 0.00 N ATOM 29 CA LEU A 4 4.503 4.534 0.633 1.00 0.00 C ATOM 30 C LEU A 4 3.419 3.887 1.508 1.00 0.00 C ATOM 31 O LEU A 4 2.379 3.450 1.011 1.00 0.00 O ATOM 32 CB LEU A 4 5.788 3.711 0.745 1.00 0.00 C ATOM 33 CG LEU A 4 6.534 3.779 -0.578 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.763 4.691 -0.454 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.910 2.363 -1.017 1.00 0.00 C ATOM 0 HA LEU A 4 4.118 4.538 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.413 4.096 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.552 2.676 0.992 1.00 0.00 H new ATOM 0 HG LEU A 4 5.893 4.214 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.286 4.729 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.444 5.695 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.433 4.297 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.445 2.406 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.548 1.905 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.005 1.767 -1.138 1.00 0.00 H new ATOM 37 N SER A 5 3.564 4.148 2.798 1.00 0.00 N ATOM 38 CA SER A 5 2.725 3.577 3.853 1.00 0.00 C ATOM 39 C SER A 5 1.351 4.235 3.916 1.00 0.00 C ATOM 40 O SER A 5 0.361 3.638 3.508 1.00 0.00 O ATOM 41 CB SER A 5 3.499 3.751 5.166 1.00 0.00 C ATOM 42 OG SER A 5 4.111 5.049 5.215 1.00 0.00 O ATOM 0 H SER A 5 4.284 4.777 3.154 1.00 0.00 H new ATOM 0 HA SER A 5 2.526 2.524 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.824 3.627 6.013 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.263 2.978 5.251 1.00 0.00 H new ATOM 0 HG SER A 5 3.667 5.595 5.897 1.00 0.00 H new ATOM 45 N GLU A 6 1.405 5.560 4.009 1.00 0.00 N ATOM 46 CA GLU A 6 0.238 6.427 4.197 1.00 0.00 C ATOM 47 C GLU A 6 -0.755 6.389 3.029 1.00 0.00 C ATOM 48 O GLU A 6 -1.898 5.962 3.212 1.00 0.00 O ATOM 49 CB GLU A 6 0.721 7.862 4.400 1.00 0.00 C ATOM 50 CG GLU A 6 0.858 8.166 5.895 1.00 0.00 C ATOM 51 CD GLU A 6 2.183 7.667 6.460 1.00 0.00 C ATOM 52 OE1 GLU A 6 3.168 8.440 6.322 1.00 0.00 O ATOM 53 OE2 GLU A 6 2.219 6.535 6.985 1.00 0.00 O ATOM 0 H GLU A 6 2.282 6.077 3.955 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.298 6.054 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.680 8.005 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.018 8.558 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.777 9.241 6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.035 7.700 6.437 1.00 0.00 H new ATOM 55 N ARG A 7 -0.211 6.584 1.835 1.00 0.00 N ATOM 56 CA ARG A 7 -0.986 6.632 0.595 1.00 0.00 C ATOM 57 C ARG A 7 -1.685 5.292 0.313 1.00 0.00 C ATOM 58 O ARG A 7 -2.907 5.264 0.167 1.00 0.00 O ATOM 59 CB ARG A 7 0.002 7.009 -0.513 1.00 0.00 C ATOM 60 CG ARG A 7 -0.632 7.829 -1.635 1.00 0.00 C ATOM 61 CD ARG A 7 -0.859 9.283 -1.206 1.00 0.00 C ATOM 62 NE ARG A 7 -2.299 9.597 -1.198 1.00 0.00 N ATOM 63 CZ ARG A 7 -2.898 10.609 -1.833 1.00 0.00 C ATOM 64 NH1 ARG A 7 -2.297 11.354 -2.744 1.00 0.00 N ATOM 65 NH2 ARG A 7 -4.208 10.749 -1.704 1.00 0.00 N ATOM 0 H ARG A 7 0.791 6.715 1.695 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.789 7.366 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.825 7.576 -0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.429 6.099 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.012 7.804 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.583 7.380 -1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.439 9.446 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.337 9.956 -1.887 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.900 8.979 -0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.326 11.169 -2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.804 12.114 -3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.737 10.093 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.688 11.513 -2.179 1.00 0.00 H new ATOM 68 N LEU A 8 -0.940 4.208 0.518 1.00 0.00 N ATOM 69 CA LEU A 8 -1.460 2.830 0.373 1.00 0.00 C ATOM 70 C LEU A 8 -2.543 2.479 1.415 1.00 0.00 C ATOM 71 O LEU A 8 -3.611 1.987 1.062 1.00 0.00 O ATOM 72 CB LEU A 8 -0.279 1.858 0.458 1.00 0.00 C ATOM 73 CG LEU A 8 -0.666 0.444 0.017 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.064 0.403 -1.461 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.512 -0.500 0.252 1.00 0.00 C ATOM 0 H LEU A 8 0.042 4.249 0.790 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.952 2.749 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.536 2.222 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.094 1.829 1.482 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.527 0.130 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.332 -0.617 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.918 1.060 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.226 0.736 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.239 -1.508 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.371 -0.161 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.767 -0.506 1.312 1.00 0.00 H new ATOM 77 N LYS A 9 -2.260 2.774 2.687 1.00 0.00 N ATOM 78 CA LYS A 9 -3.204 2.519 3.803 1.00 0.00 C ATOM 79 C LYS A 9 -4.593 3.122 3.602 1.00 0.00 C ATOM 80 O LYS A 9 -5.591 2.397 3.645 1.00 0.00 O ATOM 81 CB LYS A 9 -2.614 3.018 5.124 1.00 0.00 C ATOM 82 CG LYS A 9 -1.448 2.114 5.523 1.00 0.00 C ATOM 83 CD LYS A 9 -0.690 2.660 6.738 1.00 0.00 C ATOM 84 CE LYS A 9 -1.500 2.505 8.022 1.00 0.00 C ATOM 85 NZ LYS A 9 -0.590 2.813 9.124 1.00 0.00 N ATOM 0 H LYS A 9 -1.378 3.194 2.981 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.340 1.438 3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.273 4.048 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.377 3.013 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.823 1.116 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.762 2.014 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.260 2.135 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.457 3.713 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.356 3.180 8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.892 1.492 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.141 3.087 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.016 1.974 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.035 3.597 8.849 1.00 0.00 H new ATOM 90 N LYS A 10 -4.639 4.407 3.267 1.00 0.00 N ATOM 91 CA LYS A 10 -5.885 5.142 2.997 1.00 0.00 C ATOM 92 C LYS A 10 -6.774 4.492 1.914 1.00 0.00 C ATOM 93 O LYS A 10 -7.974 4.315 2.116 1.00 0.00 O ATOM 94 CB LYS A 10 -5.592 6.594 2.626 1.00 0.00 C ATOM 95 CG LYS A 10 -5.181 7.399 3.867 1.00 0.00 C ATOM 96 CD LYS A 10 -6.343 7.509 4.870 1.00 0.00 C ATOM 97 CE LYS A 10 -5.887 8.156 6.182 1.00 0.00 C ATOM 98 NZ LYS A 10 -4.963 7.265 6.890 1.00 0.00 N ATOM 0 H LYS A 10 -3.802 4.983 3.172 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.451 5.105 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.796 6.631 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.475 7.043 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.327 6.921 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.861 8.397 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.149 8.098 4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.747 6.517 5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.399 9.109 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.751 8.370 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.911 7.543 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.304 6.285 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.018 7.334 6.462 1.00 0.00 H new ATOM 103 N ARG A 11 -6.144 4.083 0.821 1.00 0.00 N ATOM 104 CA ARG A 11 -6.837 3.364 -0.268 1.00 0.00 C ATOM 105 C ARG A 11 -7.402 1.992 0.098 1.00 0.00 C ATOM 106 O ARG A 11 -8.512 1.641 -0.308 1.00 0.00 O ATOM 107 CB ARG A 11 -5.861 3.234 -1.446 1.00 0.00 C ATOM 108 CG ARG A 11 -6.551 2.906 -2.770 1.00 0.00 C ATOM 109 CD ARG A 11 -7.443 4.053 -3.232 1.00 0.00 C ATOM 110 NE ARG A 11 -7.800 3.891 -4.644 1.00 0.00 N ATOM 111 CZ ARG A 11 -8.077 4.904 -5.481 1.00 0.00 C ATOM 112 NH1 ARG A 11 -8.208 6.144 -5.044 1.00 0.00 N ATOM 113 NH2 ARG A 11 -8.334 4.656 -6.753 1.00 0.00 N ATOM 0 H ARG A 11 -5.149 4.232 0.654 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.716 3.957 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.307 4.166 -1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.133 2.455 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.800 2.698 -3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.149 2.002 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.347 4.086 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.928 5.003 -3.088 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.841 2.943 -5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.099 6.349 -4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.419 6.896 -5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.322 3.696 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.545 5.424 -7.390 1.00 0.00 H new ATOM 116 N ARG A 12 -6.635 1.247 0.907 1.00 0.00 N ATOM 117 CA ARG A 12 -7.097 -0.026 1.491 1.00 0.00 C ATOM 118 C ARG A 12 -8.393 0.187 2.301 1.00 0.00 C ATOM 119 O ARG A 12 -9.378 -0.538 2.134 1.00 0.00 O ATOM 120 CB ARG A 12 -5.972 -0.562 2.379 1.00 0.00 C ATOM 121 CG ARG A 12 -6.005 -2.091 2.479 1.00 0.00 C ATOM 122 CD ARG A 12 -4.933 -2.599 3.436 1.00 0.00 C ATOM 123 NE ARG A 12 -3.577 -2.363 2.904 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.568 -1.741 3.518 1.00 0.00 C ATOM 125 NH1 ARG A 12 -2.710 -1.111 4.681 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.393 -1.625 2.929 1.00 0.00 N ATOM 0 H ARG A 12 -5.685 1.504 1.175 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.328 -0.746 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.010 -0.245 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.059 -0.131 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.987 -2.415 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.852 -2.527 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.039 -2.101 4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.076 -3.665 3.611 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.390 -2.713 1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.620 -1.089 5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.909 -0.650 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.250 -2.012 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.628 -1.148 3.406 1.00 0.00 H new ATOM 129 N ILE A 13 -8.423 1.301 3.039 1.00 0.00 N ATOM 130 CA ILE A 13 -9.602 1.702 3.828 1.00 0.00 C ATOM 131 C ILE A 13 -10.778 2.071 2.897 1.00 0.00 C ATOM 132 O ILE A 13 -11.844 1.476 3.017 1.00 0.00 O ATOM 133 CB ILE A 13 -9.276 2.873 4.789 1.00 0.00 C ATOM 134 CG1 ILE A 13 -7.959 2.738 5.574 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.436 3.105 5.777 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.635 1.377 6.194 1.00 0.00 C ATOM 0 H ILE A 13 -7.639 1.949 3.109 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.896 0.849 4.439 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.143 3.732 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.141 3.004 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.969 3.477 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.187 3.931 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.343 3.346 5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.599 2.202 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.679 1.433 6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.418 1.104 6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.577 0.624 5.408 1.00 0.00 H new ATOM 138 N ALA A 14 -10.513 2.914 1.894 1.00 0.00 N ATOM 139 CA ALA A 14 -11.511 3.373 0.903 1.00 0.00 C ATOM 140 C ALA A 14 -12.314 2.222 0.277 1.00 0.00 C ATOM 141 O ALA A 14 -13.541 2.205 0.363 1.00 0.00 O ATOM 142 CB ALA A 14 -10.811 4.175 -0.190 1.00 0.00 C ATOM 0 H ALA A 14 -9.585 3.308 1.739 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.227 3.999 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.546 4.513 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.316 5.039 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.071 3.547 -0.685 1.00 0.00 H new ATOM 144 N LEU A 15 -11.594 1.183 -0.149 1.00 0.00 N ATOM 145 CA LEU A 15 -12.169 -0.012 -0.783 1.00 0.00 C ATOM 146 C LEU A 15 -12.682 -1.098 0.182 1.00 0.00 C ATOM 147 O LEU A 15 -13.120 -2.160 -0.259 1.00 0.00 O ATOM 148 CB LEU A 15 -11.136 -0.596 -1.750 1.00 0.00 C ATOM 149 CG LEU A 15 -11.185 0.031 -3.144 1.00 0.00 C ATOM 150 CD1 LEU A 15 -10.686 1.470 -3.193 1.00 0.00 C ATOM 151 CD2 LEU A 15 -10.334 -0.819 -4.084 1.00 0.00 C ATOM 0 H LEU A 15 -10.578 1.144 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.066 0.323 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.139 -0.457 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.298 -1.670 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.232 0.057 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.752 1.844 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.299 2.090 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.649 1.507 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.356 -0.388 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.306 -0.844 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.731 -1.833 -4.117 1.00 0.00 H new ATOM 153 N LYS A 16 -12.682 -0.783 1.484 1.00 0.00 N ATOM 154 CA LYS A 16 -13.042 -1.698 2.603 1.00 0.00 C ATOM 155 C LYS A 16 -12.381 -3.077 2.516 1.00 0.00 C ATOM 156 O LYS A 16 -12.945 -4.111 2.888 1.00 0.00 O ATOM 157 CB LYS A 16 -14.564 -1.809 2.726 1.00 0.00 C ATOM 158 CG LYS A 16 -15.149 -0.537 3.350 1.00 0.00 C ATOM 159 CD LYS A 16 -16.689 -0.570 3.312 1.00 0.00 C ATOM 160 CE LYS A 16 -17.236 -0.517 1.873 1.00 0.00 C ATOM 161 NZ LYS A 16 -16.877 0.767 1.253 1.00 0.00 N ATOM 0 H LYS A 16 -12.423 0.148 1.811 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.641 -1.250 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.003 -1.973 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.823 -2.673 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.808 -0.442 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.786 0.338 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.044 -1.478 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.083 0.273 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.828 -1.341 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -18.319 -0.638 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -17.460 0.918 0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -17.044 1.538 1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.872 0.754 0.984 1.00 0.00 H new ATOM 166 N MET A 17 -11.083 -3.010 2.285 1.00 0.00 N ATOM 167 CA MET A 17 -10.278 -4.198 1.994 1.00 0.00 C ATOM 168 C MET A 17 -9.258 -4.458 3.102 1.00 0.00 C ATOM 169 O MET A 17 -8.685 -3.538 3.698 1.00 0.00 O ATOM 170 CB MET A 17 -9.601 -4.002 0.633 1.00 0.00 C ATOM 171 CG MET A 17 -9.221 -5.340 0.007 1.00 0.00 C ATOM 172 SD MET A 17 -8.364 -5.232 -1.618 1.00 0.00 S ATOM 173 CE MET A 17 -9.695 -4.741 -2.691 1.00 0.00 C ATOM 0 H MET A 17 -10.552 -2.139 2.292 1.00 0.00 H new ATOM 0 HA MET A 17 -10.919 -5.079 1.953 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.272 -3.463 -0.035 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.709 -3.387 0.753 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.578 -5.879 0.703 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.126 -5.935 -0.117 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.322 -4.637 -3.710 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.479 -5.498 -2.667 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.101 -3.787 -2.354 1.00 0.00 H new ATOM 175 N THR A 18 -9.108 -5.732 3.413 1.00 0.00 N ATOM 176 CA THR A 18 -8.029 -6.178 4.315 1.00 0.00 C ATOM 177 C THR A 18 -6.773 -6.411 3.469 1.00 0.00 C ATOM 178 O THR A 18 -6.834 -6.745 2.283 1.00 0.00 O ATOM 179 CB THR A 18 -8.347 -7.475 5.068 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.597 -8.528 4.126 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.489 -7.295 6.065 1.00 0.00 C ATOM 0 H THR A 18 -9.707 -6.481 3.065 1.00 0.00 H new ATOM 0 HA THR A 18 -7.896 -5.400 5.067 1.00 0.00 H new ATOM 0 HB THR A 18 -7.480 -7.754 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.443 -8.357 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.679 -8.239 6.575 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.216 -6.536 6.798 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.388 -6.981 5.535 1.00 0.00 H new ATOM 184 N GLN A 19 -5.628 -6.321 4.120 1.00 0.00 N ATOM 185 CA GLN A 19 -4.344 -6.592 3.460 1.00 0.00 C ATOM 186 C GLN A 19 -4.238 -8.025 2.918 1.00 0.00 C ATOM 187 O GLN A 19 -3.683 -8.239 1.850 1.00 0.00 O ATOM 188 CB GLN A 19 -3.213 -6.355 4.425 1.00 0.00 C ATOM 189 CG GLN A 19 -2.188 -5.500 3.688 1.00 0.00 C ATOM 190 CD GLN A 19 -1.041 -5.116 4.598 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.155 -5.898 4.885 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.996 -3.849 4.966 1.00 0.00 N ATOM 0 H GLN A 19 -5.551 -6.063 5.104 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.282 -5.911 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.568 -5.848 5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.772 -7.299 4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.805 -6.048 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.669 -4.600 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.754 -3.216 4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.203 -3.503 5.506 1.00 0.00 H new ATOM 194 N THR A 20 -4.774 -8.970 3.680 1.00 0.00 N ATOM 195 CA THR A 20 -4.867 -10.391 3.271 1.00 0.00 C ATOM 196 C THR A 20 -5.621 -10.574 1.952 1.00 0.00 C ATOM 197 O THR A 20 -5.141 -11.218 1.027 1.00 0.00 O ATOM 198 CB THR A 20 -5.579 -11.178 4.369 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.299 -10.634 5.667 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.161 -12.649 4.317 1.00 0.00 C ATOM 0 H THR A 20 -5.162 -8.785 4.605 1.00 0.00 H new ATOM 0 HA THR A 20 -3.852 -10.758 3.120 1.00 0.00 H new ATOM 0 HB THR A 20 -6.652 -11.101 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.430 -10.963 5.979 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.674 -13.201 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.427 -13.069 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.084 -12.726 4.463 1.00 0.00 H new ATOM 203 N GLU A 21 -6.730 -9.840 1.847 1.00 0.00 N ATOM 204 CA GLU A 21 -7.540 -9.746 0.622 1.00 0.00 C ATOM 205 C GLU A 21 -6.731 -9.172 -0.550 1.00 0.00 C ATOM 206 O GLU A 21 -6.556 -9.836 -1.570 1.00 0.00 O ATOM 207 CB GLU A 21 -8.775 -8.897 0.865 1.00 0.00 C ATOM 208 CG GLU A 21 -9.964 -9.759 1.278 1.00 0.00 C ATOM 209 CD GLU A 21 -11.219 -8.894 1.465 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.197 -8.083 2.417 1.00 0.00 O ATOM 211 OE2 GLU A 21 -12.174 -9.110 0.689 1.00 0.00 O ATOM 0 H GLU A 21 -7.100 -9.285 2.619 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.847 -10.757 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.567 -8.162 1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.022 -8.342 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.150 -10.520 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.735 -10.283 2.206 1.00 0.00 H new ATOM 213 N LEU A 22 -6.028 -8.078 -0.262 1.00 0.00 N ATOM 214 CA LEU A 22 -5.133 -7.398 -1.201 1.00 0.00 C ATOM 215 C LEU A 22 -3.973 -8.315 -1.654 1.00 0.00 C ATOM 216 O LEU A 22 -3.719 -8.417 -2.852 1.00 0.00 O ATOM 217 CB LEU A 22 -4.669 -6.117 -0.496 1.00 0.00 C ATOM 218 CG LEU A 22 -3.611 -5.303 -1.227 1.00 0.00 C ATOM 219 CD1 LEU A 22 -4.076 -4.829 -2.605 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.226 -4.108 -0.360 1.00 0.00 C ATOM 0 H LEU A 22 -6.065 -7.628 0.653 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.641 -7.142 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.539 -5.481 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.279 -6.386 0.486 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.749 -5.948 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.281 -4.254 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.318 -5.693 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.961 -4.202 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.468 -3.516 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.106 -3.492 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.828 -4.462 0.591 1.00 0.00 H new ATOM 222 N ALA A 23 -3.415 -9.068 -0.712 1.00 0.00 N ATOM 223 CA ALA A 23 -2.398 -10.111 -0.951 1.00 0.00 C ATOM 224 C ALA A 23 -2.864 -11.179 -1.957 1.00 0.00 C ATOM 225 O ALA A 23 -2.262 -11.292 -3.023 1.00 0.00 O ATOM 226 CB ALA A 23 -2.058 -10.772 0.389 1.00 0.00 C ATOM 0 H ALA A 23 -3.659 -8.974 0.274 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.521 -9.634 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.307 -11.546 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.667 -10.021 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.957 -11.219 0.813 1.00 0.00 H new ATOM 228 N THR A 24 -4.028 -11.757 -1.676 1.00 0.00 N ATOM 229 CA THR A 24 -4.711 -12.740 -2.535 1.00 0.00 C ATOM 230 C THR A 24 -4.917 -12.161 -3.950 1.00 0.00 C ATOM 231 O THR A 24 -4.317 -12.639 -4.901 1.00 0.00 O ATOM 232 CB THR A 24 -6.010 -13.147 -1.823 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.648 -13.878 -0.654 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.992 -13.969 -2.680 1.00 0.00 C ATOM 0 H THR A 24 -4.544 -11.553 -0.820 1.00 0.00 H new ATOM 0 HA THR A 24 -4.114 -13.640 -2.685 1.00 0.00 H new ATOM 0 HB THR A 24 -6.552 -12.231 -1.589 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.396 -13.253 0.058 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.877 -14.208 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.285 -13.389 -3.555 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.510 -14.892 -3.001 1.00 0.00 H new ATOM 237 N LYS A 25 -5.559 -10.987 -3.990 1.00 0.00 N ATOM 238 CA LYS A 25 -5.818 -10.253 -5.246 1.00 0.00 C ATOM 239 C LYS A 25 -4.578 -9.904 -6.077 1.00 0.00 C ATOM 240 O LYS A 25 -4.554 -10.154 -7.281 1.00 0.00 O ATOM 241 CB LYS A 25 -6.620 -8.988 -4.944 1.00 0.00 C ATOM 242 CG LYS A 25 -8.103 -9.329 -4.863 1.00 0.00 C ATOM 243 CD LYS A 25 -8.759 -8.487 -3.764 1.00 0.00 C ATOM 244 CE LYS A 25 -10.134 -9.046 -3.398 1.00 0.00 C ATOM 245 NZ LYS A 25 -11.099 -8.651 -4.438 1.00 0.00 N ATOM 0 H LYS A 25 -5.915 -10.516 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.385 -10.943 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.286 -8.549 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.450 -8.243 -5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.585 -9.135 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.232 -10.390 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.121 -8.473 -2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.859 -7.455 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.090 -10.132 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.450 -8.666 -2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.039 -9.026 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.144 -7.613 -4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.796 -9.034 -5.356 1.00 0.00 H new ATOM 250 N ALA A 26 -3.586 -9.320 -5.422 1.00 0.00 N ATOM 251 CA ALA A 26 -2.292 -8.953 -6.025 1.00 0.00 C ATOM 252 C ALA A 26 -1.376 -10.122 -6.434 1.00 0.00 C ATOM 253 O ALA A 26 -0.502 -9.945 -7.274 1.00 0.00 O ATOM 254 CB ALA A 26 -1.530 -8.036 -5.060 1.00 0.00 C ATOM 0 H ALA A 26 -3.649 -9.078 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.551 -8.457 -6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.572 -7.761 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.116 -7.136 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.360 -8.559 -4.119 1.00 0.00 H new ATOM 256 N GLY A 27 -1.615 -11.303 -5.849 1.00 0.00 N ATOM 257 CA GLY A 27 -0.757 -12.490 -6.018 1.00 0.00 C ATOM 258 C GLY A 27 0.571 -12.401 -5.256 1.00 0.00 C ATOM 259 O GLY A 27 1.610 -12.853 -5.738 1.00 0.00 O ATOM 0 H GLY A 27 -2.416 -11.466 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.301 -13.372 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.549 -12.630 -7.079 1.00 0.00 H new ATOM 261 N VAL A 28 0.505 -11.829 -4.058 1.00 0.00 N ATOM 262 CA VAL A 28 1.635 -11.705 -3.108 1.00 0.00 C ATOM 263 C VAL A 28 1.170 -12.108 -1.693 1.00 0.00 C ATOM 264 O VAL A 28 0.020 -12.507 -1.493 1.00 0.00 O ATOM 265 CB VAL A 28 2.269 -10.302 -3.133 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.153 -10.119 -4.369 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.281 -9.132 -2.976 1.00 0.00 C ATOM 0 H VAL A 28 -0.358 -11.422 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 28 2.423 -12.389 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 28 2.888 -10.261 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.588 -9.119 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.951 -10.862 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.551 -10.245 -5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.826 -8.189 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.554 -9.158 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.762 -9.220 -2.022 1.00 0.00 H new ATOM 269 N LYS A 29 2.038 -11.941 -0.694 1.00 0.00 N ATOM 270 CA LYS A 29 1.714 -12.296 0.704 1.00 0.00 C ATOM 271 C LYS A 29 1.293 -11.058 1.502 1.00 0.00 C ATOM 272 O LYS A 29 1.750 -9.950 1.249 1.00 0.00 O ATOM 273 CB LYS A 29 2.904 -12.958 1.413 1.00 0.00 C ATOM 274 CG LYS A 29 3.297 -14.318 0.843 1.00 0.00 C ATOM 275 CD LYS A 29 4.445 -14.168 -0.150 1.00 0.00 C ATOM 276 CE LYS A 29 4.868 -15.545 -0.678 1.00 0.00 C ATOM 277 NZ LYS A 29 5.713 -15.285 -1.841 1.00 0.00 N ATOM 0 H LYS A 29 2.976 -11.561 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 29 0.887 -13.005 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.764 -12.291 1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.663 -13.076 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.593 -14.986 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.439 -14.774 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.138 -13.530 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.292 -13.679 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.412 -16.105 0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.998 -16.142 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.033 -16.188 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.169 -14.759 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.539 -14.723 -1.551 1.00 0.00 H new ATOM 282 N GLN A 30 0.457 -11.287 2.512 1.00 0.00 N ATOM 283 CA GLN A 30 0.071 -10.213 3.455 1.00 0.00 C ATOM 284 C GLN A 30 1.318 -9.520 4.053 1.00 0.00 C ATOM 285 O GLN A 30 1.498 -8.309 3.913 1.00 0.00 O ATOM 286 CB GLN A 30 -0.788 -10.777 4.600 1.00 0.00 C ATOM 287 CG GLN A 30 -1.616 -9.652 5.230 1.00 0.00 C ATOM 288 CD GLN A 30 -2.213 -10.045 6.585 1.00 0.00 C ATOM 289 OE1 GLN A 30 -2.859 -11.074 6.749 1.00 0.00 O ATOM 290 NE2 GLN A 30 -2.070 -9.159 7.550 1.00 0.00 N ATOM 0 H GLN A 30 0.032 -12.193 2.707 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.508 -9.480 2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.447 -11.558 4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.149 -11.237 5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.987 -8.771 5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.421 -9.374 4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.527 -8.311 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.502 -9.321 8.460 1.00 0.00 H new ATOM 292 N GLN A 31 2.241 -10.374 4.487 1.00 0.00 N ATOM 293 CA GLN A 31 3.620 -10.062 4.926 1.00 0.00 C ATOM 294 C GLN A 31 4.353 -9.048 4.022 1.00 0.00 C ATOM 295 O GLN A 31 4.862 -8.036 4.501 1.00 0.00 O ATOM 296 CB GLN A 31 4.305 -11.427 5.012 1.00 0.00 C ATOM 297 CG GLN A 31 5.837 -11.407 5.113 1.00 0.00 C ATOM 298 CD GLN A 31 6.494 -11.806 3.775 1.00 0.00 C ATOM 299 OE1 GLN A 31 6.239 -11.308 2.693 1.00 0.00 O ATOM 300 NE2 GLN A 31 7.380 -12.766 3.850 1.00 0.00 N ATOM 0 H GLN A 31 2.043 -11.373 4.550 1.00 0.00 H new ATOM 0 HA GLN A 31 3.630 -9.544 5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.910 -11.955 5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.026 -12.007 4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.171 -10.410 5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.161 -12.091 5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.599 -13.188 4.752 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.851 -13.092 3.006 1.00 0.00 H new ATOM 302 N SER A 32 4.252 -9.271 2.716 1.00 0.00 N ATOM 303 CA SER A 32 4.899 -8.459 1.669 1.00 0.00 C ATOM 304 C SER A 32 4.413 -7.004 1.693 1.00 0.00 C ATOM 305 O SER A 32 5.200 -6.074 1.803 1.00 0.00 O ATOM 306 CB SER A 32 4.588 -9.086 0.314 1.00 0.00 C ATOM 307 OG SER A 32 4.882 -10.490 0.323 1.00 0.00 O ATOM 0 H SER A 32 3.703 -10.043 2.336 1.00 0.00 H new ATOM 0 HA SER A 32 5.974 -8.444 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.537 -8.931 0.069 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.172 -8.592 -0.463 1.00 0.00 H new ATOM 0 HG SER A 32 5.404 -10.710 1.123 1.00 0.00 H new ATOM 310 N ILE A 33 3.095 -6.855 1.814 1.00 0.00 N ATOM 311 CA ILE A 33 2.440 -5.527 1.830 1.00 0.00 C ATOM 312 C ILE A 33 2.641 -4.814 3.182 1.00 0.00 C ATOM 313 O ILE A 33 2.754 -3.585 3.227 1.00 0.00 O ATOM 314 CB ILE A 33 0.950 -5.606 1.493 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.695 -6.576 0.325 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.449 -4.211 1.107 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.719 -7.107 0.351 1.00 0.00 C ATOM 0 H ILE A 33 2.447 -7.637 1.904 1.00 0.00 H new ATOM 0 HA ILE A 33 2.925 -4.940 1.050 1.00 0.00 H new ATOM 0 HB ILE A 33 0.416 -5.974 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.877 -6.065 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.399 -7.407 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.613 -4.260 0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.600 -3.526 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.003 -3.853 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.867 -7.789 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.891 -7.639 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.421 -6.277 0.271 1.00 0.00 H new ATOM 319 N GLN A 34 2.687 -5.580 4.276 1.00 0.00 N ATOM 320 CA GLN A 34 2.997 -5.032 5.630 1.00 0.00 C ATOM 321 C GLN A 34 4.292 -4.218 5.652 1.00 0.00 C ATOM 322 O GLN A 34 4.337 -3.157 6.250 1.00 0.00 O ATOM 323 CB GLN A 34 3.174 -6.094 6.703 1.00 0.00 C ATOM 324 CG GLN A 34 1.959 -7.002 6.918 1.00 0.00 C ATOM 325 CD GLN A 34 0.777 -6.351 7.649 1.00 0.00 C ATOM 326 OE1 GLN A 34 -0.366 -6.774 7.542 1.00 0.00 O ATOM 327 NE2 GLN A 34 1.017 -5.363 8.491 1.00 0.00 N ATOM 0 H GLN A 34 2.515 -6.585 4.266 1.00 0.00 H new ATOM 0 HA GLN A 34 2.124 -4.416 5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.031 -6.714 6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.412 -5.601 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.614 -7.356 5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.276 -7.879 7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.964 -4.998 8.593 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.255 -4.964 9.040 1.00 0.00 H new ATOM 329 N LEU A 35 5.283 -4.699 4.908 1.00 0.00 N ATOM 330 CA LEU A 35 6.591 -4.040 4.759 1.00 0.00 C ATOM 331 C LEU A 35 6.509 -2.626 4.140 1.00 0.00 C ATOM 332 O LEU A 35 7.361 -1.785 4.398 1.00 0.00 O ATOM 333 CB LEU A 35 7.509 -4.951 3.961 1.00 0.00 C ATOM 334 CG LEU A 35 8.032 -6.126 4.799 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.819 -7.055 3.874 1.00 0.00 C ATOM 336 CD2 LEU A 35 8.919 -5.684 5.957 1.00 0.00 C ATOM 0 H LEU A 35 5.206 -5.569 4.381 1.00 0.00 H new ATOM 0 HA LEU A 35 6.999 -3.880 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.972 -5.336 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.352 -4.373 3.583 1.00 0.00 H new ATOM 0 HG LEU A 35 7.175 -6.634 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.202 -7.900 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.165 -7.420 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.652 -6.508 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.257 -6.560 6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.783 -5.145 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.352 -5.031 6.621 1.00 0.00 H new ATOM 338 N ILE A 36 5.484 -2.411 3.317 1.00 0.00 N ATOM 339 CA ILE A 36 5.124 -1.066 2.818 1.00 0.00 C ATOM 340 C ILE A 36 4.364 -0.289 3.912 1.00 0.00 C ATOM 341 O ILE A 36 4.824 0.763 4.357 1.00 0.00 O ATOM 342 CB ILE A 36 4.272 -1.090 1.535 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.751 -2.147 0.520 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.255 0.328 0.942 1.00 0.00 C ATOM 345 CD1 ILE A 36 3.886 -2.264 -0.742 1.00 0.00 C ATOM 0 H ILE A 36 4.876 -3.154 2.973 1.00 0.00 H new ATOM 0 HA ILE A 36 6.063 -0.573 2.568 1.00 0.00 H new ATOM 0 HB ILE A 36 3.255 -1.391 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.772 -1.909 0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.781 -3.118 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.656 0.334 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.823 1.020 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.274 0.637 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.299 -3.031 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.868 -2.536 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.875 -1.308 -1.265 1.00 0.00 H new ATOM 347 N GLU A 37 3.236 -0.854 4.353 1.00 0.00 N ATOM 348 CA GLU A 37 2.335 -0.310 5.396 1.00 0.00 C ATOM 349 C GLU A 37 3.077 0.213 6.642 1.00 0.00 C ATOM 350 O GLU A 37 2.713 1.248 7.200 1.00 0.00 O ATOM 351 CB GLU A 37 1.355 -1.443 5.730 1.00 0.00 C ATOM 352 CG GLU A 37 0.245 -1.110 6.731 1.00 0.00 C ATOM 353 CD GLU A 37 0.712 -1.141 8.192 1.00 0.00 C ATOM 354 OE1 GLU A 37 1.299 -2.180 8.567 1.00 0.00 O ATOM 355 OE2 GLU A 37 0.477 -0.132 8.892 1.00 0.00 O ATOM 0 H GLU A 37 2.903 -1.744 3.981 1.00 0.00 H new ATOM 0 HA GLU A 37 1.815 0.573 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.890 -1.777 4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.926 -2.285 6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.152 -0.120 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.573 -1.819 6.604 1.00 0.00 H new ATOM 357 N ALA A 38 4.047 -0.579 7.115 1.00 0.00 N ATOM 358 CA ALA A 38 4.922 -0.270 8.257 1.00 0.00 C ATOM 359 C ALA A 38 5.998 0.820 7.997 1.00 0.00 C ATOM 360 O ALA A 38 6.614 1.292 8.944 1.00 0.00 O ATOM 361 CB ALA A 38 5.576 -1.590 8.689 1.00 0.00 C ATOM 0 H ALA A 38 4.253 -1.487 6.699 1.00 0.00 H new ATOM 0 HA ALA A 38 4.302 0.166 9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.236 -1.408 9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.803 -2.302 8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.154 -1.998 7.860 1.00 0.00 H new ATOM 363 N GLY A 39 6.188 1.186 6.726 1.00 0.00 N ATOM 364 CA GLY A 39 7.160 2.217 6.286 1.00 0.00 C ATOM 365 C GLY A 39 8.629 1.762 6.220 1.00 0.00 C ATOM 366 O GLY A 39 9.525 2.583 6.401 1.00 0.00 O ATOM 0 H GLY A 39 5.666 0.773 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.864 2.572 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.092 3.068 6.964 1.00 0.00 H new ATOM 368 N VAL A 40 8.850 0.545 5.722 1.00 0.00 N ATOM 369 CA VAL A 40 10.206 -0.051 5.705 1.00 0.00 C ATOM 370 C VAL A 40 10.711 -0.247 4.267 1.00 0.00 C ATOM 371 O VAL A 40 11.709 0.340 3.850 1.00 0.00 O ATOM 372 CB VAL A 40 10.284 -1.365 6.526 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.738 -1.830 6.690 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.692 -1.226 7.935 1.00 0.00 C ATOM 0 H VAL A 40 8.122 -0.050 5.326 1.00 0.00 H new ATOM 0 HA VAL A 40 10.872 0.659 6.195 1.00 0.00 H new ATOM 0 HB VAL A 40 9.700 -2.090 5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.762 -2.753 7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.176 -2.007 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.310 -1.061 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.775 -2.177 8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.237 -0.459 8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.642 -0.943 7.862 1.00 0.00 H new ATOM 376 N THR A 41 9.996 -1.079 3.510 1.00 0.00 N ATOM 377 CA THR A 41 10.282 -1.383 2.089 1.00 0.00 C ATOM 378 C THR A 41 9.808 -0.230 1.195 1.00 0.00 C ATOM 379 O THR A 41 8.718 -0.230 0.637 1.00 0.00 O ATOM 380 CB THR A 41 9.633 -2.719 1.712 1.00 0.00 C ATOM 381 OG1 THR A 41 10.091 -3.720 2.621 1.00 0.00 O ATOM 382 CG2 THR A 41 9.968 -3.180 0.287 1.00 0.00 C ATOM 0 H THR A 41 9.181 -1.577 3.867 1.00 0.00 H new ATOM 0 HA THR A 41 11.357 -1.482 1.937 1.00 0.00 H new ATOM 0 HB THR A 41 8.554 -2.574 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.941 -4.607 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.476 -4.132 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.620 -2.434 -0.428 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.047 -3.302 0.188 1.00 0.00 H new ATOM 385 N LYS A 42 10.661 0.795 1.208 1.00 0.00 N ATOM 386 CA LYS A 42 10.490 2.019 0.407 1.00 0.00 C ATOM 387 C LYS A 42 10.552 1.879 -1.124 1.00 0.00 C ATOM 388 O LYS A 42 10.313 2.846 -1.852 1.00 0.00 O ATOM 389 CB LYS A 42 11.433 3.107 0.917 1.00 0.00 C ATOM 390 CG LYS A 42 10.915 3.653 2.252 1.00 0.00 C ATOM 391 CD LYS A 42 11.699 4.903 2.647 1.00 0.00 C ATOM 392 CE LYS A 42 11.110 5.545 3.919 1.00 0.00 C ATOM 393 NZ LYS A 42 11.428 4.726 5.096 1.00 0.00 N ATOM 0 H LYS A 42 11.504 0.803 1.782 1.00 0.00 H new ATOM 0 HA LYS A 42 9.449 2.301 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.437 2.702 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.504 3.913 0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.854 3.890 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.012 2.893 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.744 4.643 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.679 5.623 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.512 6.550 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.029 5.645 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.604 5.345 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.628 4.095 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.277 4.157 4.904 1.00 0.00 H new ATOM 398 N ARG A 43 10.991 0.717 -1.593 1.00 0.00 N ATOM 399 CA ARG A 43 10.907 0.311 -3.013 1.00 0.00 C ATOM 400 C ARG A 43 10.502 -1.169 -3.095 1.00 0.00 C ATOM 401 O ARG A 43 11.275 -2.026 -2.646 1.00 0.00 O ATOM 402 CB ARG A 43 12.247 0.505 -3.734 1.00 0.00 C ATOM 403 CG ARG A 43 12.403 1.872 -4.407 1.00 0.00 C ATOM 404 CD ARG A 43 11.449 2.102 -5.587 1.00 0.00 C ATOM 405 NE ARG A 43 11.647 1.112 -6.670 1.00 0.00 N ATOM 406 CZ ARG A 43 10.746 0.225 -7.099 1.00 0.00 C ATOM 407 NH1 ARG A 43 9.520 0.176 -6.592 1.00 0.00 N ATOM 408 NH2 ARG A 43 11.027 -0.599 -8.095 1.00 0.00 N ATOM 0 H ARG A 43 11.424 0.011 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 43 10.162 0.939 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.056 0.371 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.358 -0.274 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.239 2.652 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.430 1.977 -4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.419 2.050 -5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.600 3.106 -5.983 1.00 0.00 H new ATOM 0 HE ARG A 43 12.557 1.107 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.246 0.827 -5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.852 -0.512 -6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.941 -0.562 -8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.329 -1.272 -8.413 1.00 0.00 H new ATOM 411 N PRO A 44 9.222 -1.437 -3.396 1.00 0.00 N ATOM 412 CA PRO A 44 8.820 -2.835 -3.645 1.00 0.00 C ATOM 413 C PRO A 44 8.531 -3.106 -5.120 1.00 0.00 C ATOM 414 O PRO A 44 7.693 -2.451 -5.738 1.00 0.00 O ATOM 415 CB PRO A 44 7.558 -2.990 -2.781 1.00 0.00 C ATOM 416 CG PRO A 44 6.894 -1.621 -2.871 1.00 0.00 C ATOM 417 CD PRO A 44 8.056 -0.642 -2.949 1.00 0.00 C ATOM 0 HA PRO A 44 9.606 -3.548 -3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.907 -3.778 -3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.806 -3.249 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.253 -1.547 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.267 -1.425 -2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.841 0.165 -3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.245 -0.181 -1.980 1.00 0.00 H new ATOM 418 N ARG A 45 9.188 -4.133 -5.654 1.00 0.00 N ATOM 419 CA ARG A 45 8.840 -4.693 -6.979 1.00 0.00 C ATOM 420 C ARG A 45 7.339 -4.947 -7.204 1.00 0.00 C ATOM 421 O ARG A 45 6.771 -4.510 -8.199 1.00 0.00 O ATOM 422 CB ARG A 45 9.587 -6.009 -7.213 1.00 0.00 C ATOM 423 CG ARG A 45 10.791 -5.902 -8.142 1.00 0.00 C ATOM 424 CD ARG A 45 12.120 -5.584 -7.441 1.00 0.00 C ATOM 425 NE ARG A 45 12.152 -4.179 -7.009 1.00 0.00 N ATOM 426 CZ ARG A 45 12.297 -3.718 -5.773 1.00 0.00 C ATOM 427 NH1 ARG A 45 12.582 -4.503 -4.739 1.00 0.00 N ATOM 428 NH2 ARG A 45 12.203 -2.416 -5.564 1.00 0.00 N ATOM 0 H ARG A 45 9.969 -4.603 -5.196 1.00 0.00 H new ATOM 0 HA ARG A 45 9.141 -3.923 -7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.921 -6.397 -6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.890 -6.738 -7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.898 -6.841 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.593 -5.127 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.249 -6.239 -6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.951 -5.781 -8.118 1.00 0.00 H new ATOM 0 HE ARG A 45 12.051 -3.478 -7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.699 -5.507 -4.878 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.684 -4.102 -3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.022 -1.786 -6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.311 -2.042 -4.621 1.00 0.00 H new ATOM 431 N PHE A 46 6.685 -5.497 -6.180 1.00 0.00 N ATOM 432 CA PHE A 46 5.245 -5.846 -6.214 1.00 0.00 C ATOM 433 C PHE A 46 4.236 -4.678 -6.136 1.00 0.00 C ATOM 434 O PHE A 46 3.029 -4.930 -6.162 1.00 0.00 O ATOM 435 CB PHE A 46 4.895 -6.932 -5.185 1.00 0.00 C ATOM 436 CG PHE A 46 5.625 -6.827 -3.840 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.151 -5.940 -2.851 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.723 -7.684 -3.583 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.758 -5.918 -1.581 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.332 -7.664 -2.305 1.00 0.00 C ATOM 441 CZ PHE A 46 6.834 -6.780 -1.320 1.00 0.00 C ATOM 0 H PHE A 46 7.134 -5.719 -5.292 1.00 0.00 H new ATOM 0 HA PHE A 46 5.121 -6.233 -7.225 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.821 -6.900 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.114 -7.906 -5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.324 -5.279 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.092 -8.345 -4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.399 -5.245 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.165 -8.315 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.293 -6.768 -0.343 1.00 0.00 H new ATOM 443 N LEU A 47 4.723 -3.453 -6.317 1.00 0.00 N ATOM 444 CA LEU A 47 3.867 -2.243 -6.291 1.00 0.00 C ATOM 445 C LEU A 47 2.769 -2.234 -7.375 1.00 0.00 C ATOM 446 O LEU A 47 1.620 -1.948 -7.077 1.00 0.00 O ATOM 447 CB LEU A 47 4.732 -0.950 -6.314 1.00 0.00 C ATOM 448 CG LEU A 47 5.253 -0.481 -7.682 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.712 0.968 -7.575 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.372 -1.350 -8.253 1.00 0.00 C ATOM 0 H LEU A 47 5.710 -3.259 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 47 3.325 -2.270 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.143 -0.141 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.590 -1.105 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 47 4.423 -0.573 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.082 1.305 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.873 1.594 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.509 1.043 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.684 -0.953 -9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.220 -1.347 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.011 -2.371 -8.380 1.00 0.00 H new ATOM 452 N PHE A 48 3.100 -2.810 -8.534 1.00 0.00 N ATOM 453 CA PHE A 48 2.190 -2.919 -9.691 1.00 0.00 C ATOM 454 C PHE A 48 0.938 -3.744 -9.341 1.00 0.00 C ATOM 455 O PHE A 48 -0.183 -3.254 -9.364 1.00 0.00 O ATOM 456 CB PHE A 48 2.997 -3.599 -10.814 1.00 0.00 C ATOM 457 CG PHE A 48 2.340 -3.446 -12.181 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.193 -4.218 -12.502 1.00 0.00 C ATOM 459 CD2 PHE A 48 2.801 -2.422 -13.039 1.00 0.00 C ATOM 460 CE1 PHE A 48 0.474 -3.927 -13.679 1.00 0.00 C ATOM 461 CE2 PHE A 48 2.078 -2.143 -14.226 1.00 0.00 C ATOM 462 CZ PHE A 48 0.923 -2.888 -14.532 1.00 0.00 C ATOM 0 H PHE A 48 4.018 -3.221 -8.703 1.00 0.00 H new ATOM 0 HA PHE A 48 1.834 -1.936 -9.998 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.999 -3.172 -10.846 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.110 -4.659 -10.585 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.875 -5.019 -11.852 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.691 -1.861 -12.794 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.412 -4.491 -13.929 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.412 -1.362 -14.893 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.370 -2.664 -15.432 1.00 0.00 H new ATOM 464 N GLU A 49 1.233 -4.949 -8.867 1.00 0.00 N ATOM 465 CA GLU A 49 0.268 -5.973 -8.428 1.00 0.00 C ATOM 466 C GLU A 49 -0.694 -5.445 -7.362 1.00 0.00 C ATOM 467 O GLU A 49 -1.887 -5.290 -7.644 1.00 0.00 O ATOM 468 CB GLU A 49 1.056 -7.195 -7.942 1.00 0.00 C ATOM 469 CG GLU A 49 1.612 -8.077 -9.074 1.00 0.00 C ATOM 470 CD GLU A 49 2.573 -7.354 -10.033 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.526 -6.712 -9.528 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.270 -7.359 -11.239 1.00 0.00 O ATOM 0 H GLU A 49 2.199 -5.263 -8.770 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.365 -6.258 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.885 -6.856 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.410 -7.802 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.131 -8.928 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.777 -8.477 -9.650 1.00 0.00 H new ATOM 474 N ILE A 50 -0.107 -4.873 -6.311 1.00 0.00 N ATOM 475 CA ILE A 50 -0.877 -4.300 -5.171 1.00 0.00 C ATOM 476 C ILE A 50 -1.812 -3.181 -5.647 1.00 0.00 C ATOM 477 O ILE A 50 -3.023 -3.265 -5.439 1.00 0.00 O ATOM 478 CB ILE A 50 0.088 -3.835 -4.059 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.879 -5.058 -3.563 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.665 -3.121 -2.914 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.046 -4.698 -2.651 1.00 0.00 C ATOM 0 H ILE A 50 0.904 -4.786 -6.211 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.515 -5.075 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 50 0.784 -3.097 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.203 -5.726 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.257 -5.610 -4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.047 -2.808 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.182 -2.246 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.392 -3.804 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.558 -5.608 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.743 -4.055 -3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.672 -4.173 -1.772 1.00 0.00 H new ATOM 483 N ALA A 51 -1.258 -2.264 -6.439 1.00 0.00 N ATOM 484 CA ALA A 51 -1.983 -1.091 -6.947 1.00 0.00 C ATOM 485 C ALA A 51 -3.230 -1.450 -7.768 1.00 0.00 C ATOM 486 O ALA A 51 -4.329 -1.010 -7.429 1.00 0.00 O ATOM 487 CB ALA A 51 -1.035 -0.236 -7.781 1.00 0.00 C ATOM 0 H ALA A 51 -0.288 -2.311 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.340 -0.536 -6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.569 0.635 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.200 0.091 -7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.658 -0.823 -8.619 1.00 0.00 H new ATOM 489 N MET A 52 -3.047 -2.297 -8.764 1.00 0.00 N ATOM 490 CA MET A 52 -4.139 -2.819 -9.603 1.00 0.00 C ATOM 491 C MET A 52 -5.170 -3.662 -8.842 1.00 0.00 C ATOM 492 O MET A 52 -6.377 -3.454 -8.999 1.00 0.00 O ATOM 493 CB MET A 52 -3.523 -3.590 -10.776 1.00 0.00 C ATOM 494 CG MET A 52 -2.735 -2.642 -11.672 1.00 0.00 C ATOM 495 SD MET A 52 -3.741 -1.299 -12.400 1.00 0.00 S ATOM 496 CE MET A 52 -2.455 -0.259 -13.050 1.00 0.00 C ATOM 0 H MET A 52 -2.128 -2.654 -9.026 1.00 0.00 H new ATOM 0 HA MET A 52 -4.713 -1.968 -9.969 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.868 -4.376 -10.400 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.309 -4.078 -11.353 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.924 -2.201 -11.093 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.277 -3.216 -12.477 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.900 0.612 -13.531 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.805 0.067 -12.238 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.870 -0.817 -13.781 1.00 0.00 H new ATOM 498 N ALA A 53 -4.692 -4.476 -7.900 1.00 0.00 N ATOM 499 CA ALA A 53 -5.533 -5.256 -6.967 1.00 0.00 C ATOM 500 C ALA A 53 -6.417 -4.370 -6.056 1.00 0.00 C ATOM 501 O ALA A 53 -7.481 -4.787 -5.600 1.00 0.00 O ATOM 502 CB ALA A 53 -4.610 -6.107 -6.107 1.00 0.00 C ATOM 0 H ALA A 53 -3.693 -4.620 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.216 -5.867 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.204 -6.695 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.033 -6.777 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.931 -5.460 -5.552 1.00 0.00 H new ATOM 504 N LEU A 54 -5.932 -3.156 -5.812 1.00 0.00 N ATOM 505 CA LEU A 54 -6.575 -2.119 -5.000 1.00 0.00 C ATOM 506 C LEU A 54 -7.117 -0.940 -5.853 1.00 0.00 C ATOM 507 O LEU A 54 -7.483 0.107 -5.335 1.00 0.00 O ATOM 508 CB LEU A 54 -5.435 -1.703 -4.042 1.00 0.00 C ATOM 509 CG LEU A 54 -5.808 -0.916 -2.790 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.843 -1.642 -1.918 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.547 -0.639 -1.964 1.00 0.00 C ATOM 0 H LEU A 54 -5.036 -2.850 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.467 -2.465 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.916 -2.608 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.720 -1.108 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.263 0.018 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.070 -1.035 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.754 -1.804 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.440 -2.603 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.814 -0.077 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.087 -1.584 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.842 -0.059 -2.560 1.00 0.00 H new ATOM 513 N ASN A 55 -7.252 -1.185 -7.165 1.00 0.00 N ATOM 514 CA ASN A 55 -7.740 -0.210 -8.185 1.00 0.00 C ATOM 515 C ASN A 55 -7.137 1.214 -8.106 1.00 0.00 C ATOM 516 O ASN A 55 -7.817 2.231 -8.232 1.00 0.00 O ATOM 517 CB ASN A 55 -9.268 -0.141 -8.190 1.00 0.00 C ATOM 518 CG ASN A 55 -9.899 -1.342 -8.896 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.159 -1.348 -10.080 1.00 0.00 O ATOM 520 ND2 ASN A 55 -10.219 -2.361 -8.123 1.00 0.00 N ATOM 0 H ASN A 55 -7.021 -2.092 -7.571 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.375 -0.613 -9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.631 -0.093 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.587 0.777 -8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.693 -3.172 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.992 -2.338 -7.129 1.00 0.00 H new ATOM 522 N CYS A 56 -5.825 1.249 -7.929 1.00 0.00 N ATOM 523 CA CYS A 56 -5.053 2.494 -7.864 1.00 0.00 C ATOM 524 C CYS A 56 -3.718 2.399 -8.626 1.00 0.00 C ATOM 525 O CYS A 56 -3.362 1.358 -9.183 1.00 0.00 O ATOM 526 CB CYS A 56 -4.824 2.904 -6.396 1.00 0.00 C ATOM 527 SG CYS A 56 -3.781 1.760 -5.431 1.00 0.00 S ATOM 0 H CYS A 56 -5.255 0.410 -7.825 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.640 3.267 -8.360 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.366 3.893 -6.378 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.792 2.992 -5.904 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.656 2.206 -4.216 1.00 0.00 H new ATOM 529 N ASP A 57 -2.986 3.501 -8.572 1.00 0.00 N ATOM 530 CA ASP A 57 -1.748 3.701 -9.351 1.00 0.00 C ATOM 531 C ASP A 57 -0.464 3.335 -8.571 1.00 0.00 C ATOM 532 O ASP A 57 -0.259 3.830 -7.459 1.00 0.00 O ATOM 533 CB ASP A 57 -1.775 5.149 -9.823 1.00 0.00 C ATOM 534 CG ASP A 57 -0.510 5.647 -10.535 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.012 4.912 -11.399 1.00 0.00 O ATOM 536 OD2 ASP A 57 0.042 6.628 -10.018 1.00 0.00 O ATOM 0 H ASP A 57 -3.227 4.298 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.717 3.020 -10.201 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.622 5.275 -10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.958 5.789 -8.960 1.00 0.00 H new