USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 535 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 17 SER OG : rot -180:sc= 1.78 USER MOD Set 1.2: A 48 THR OG1 : rot 81:sc= 2.04 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00557 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 40 TYR OH : rot -129:sc= -0.0685 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00308 USER MOD Single : A 46 MET CE :methyl -124:sc= 0 (180deg=-1.43) USER MOD Single : A 54 SER OG : rot 76:sc= 0.745 USER MOD Single : A 56 TYR OH : rot -89:sc= 1.04 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.245 K(o=-0.25,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.072 -9.375 -1.417 1.00 1.02 N ATOM 45 CA LEU A 4 11.094 -8.352 -1.814 1.00 0.89 C ATOM 46 C LEU A 4 9.726 -8.527 -1.140 1.00 0.82 C ATOM 47 O LEU A 4 9.507 -9.445 -0.357 1.00 1.00 O ATOM 48 CB LEU A 4 10.959 -8.285 -3.344 1.00 0.93 C ATOM 49 CG LEU A 4 12.257 -8.042 -4.129 1.00 1.05 C ATOM 50 CD1 LEU A 4 11.971 -7.925 -5.615 1.00 1.31 C ATOM 51 CD2 LEU A 4 12.991 -6.809 -3.617 1.00 1.09 C ATOM 0 HA LEU A 4 11.484 -7.398 -1.458 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.519 -9.220 -3.690 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.255 -7.490 -3.591 1.00 0.93 H new ATOM 0 HG LEU A 4 12.908 -8.902 -3.973 1.00 1.05 H new ATOM 0 HD11 LEU A 4 12.904 -7.753 -6.153 1.00 1.31 H new ATOM 0 HD12 LEU A 4 11.512 -8.847 -5.971 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.292 -7.090 -5.790 1.00 1.31 H new ATOM 0 HD21 LEU A 4 13.905 -6.664 -4.193 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.351 -5.933 -3.726 1.00 1.09 H new ATOM 0 HD23 LEU A 4 13.243 -6.946 -2.565 1.00 1.09 H new ATOM 63 N LEU A 5 8.838 -7.625 -1.428 1.00 0.69 N ATOM 64 CA LEU A 5 7.502 -7.644 -0.897 1.00 0.62 C ATOM 65 C LEU A 5 6.649 -8.393 -1.897 1.00 0.51 C ATOM 66 O LEU A 5 6.724 -8.118 -3.100 1.00 0.50 O ATOM 67 CB LEU A 5 6.979 -6.210 -0.789 1.00 0.64 C ATOM 68 CG LEU A 5 5.699 -6.007 0.017 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.962 -6.220 1.492 1.00 1.14 C ATOM 70 CD2 LEU A 5 5.119 -4.630 -0.234 1.00 1.01 C ATOM 0 H LEU A 5 9.022 -6.838 -2.051 1.00 0.69 H new ATOM 0 HA LEU A 5 7.478 -8.111 0.088 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.762 -5.595 -0.345 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.810 -5.832 -1.797 1.00 0.64 H new ATOM 0 HG LEU A 5 4.967 -6.745 -0.310 1.00 0.71 H new ATOM 0 HD11 LEU A 5 5.038 -6.071 2.051 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.325 -7.235 1.654 1.00 1.14 H new ATOM 0 HD13 LEU A 5 6.712 -5.507 1.834 1.00 1.14 H new ATOM 0 HD21 LEU A 5 4.207 -4.507 0.351 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.844 -3.871 0.060 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.888 -4.520 -1.294 1.00 1.01 H new ATOM 82 N THR A 6 5.877 -9.330 -1.450 1.00 0.53 N ATOM 83 CA THR A 6 5.050 -10.077 -2.348 1.00 0.54 C ATOM 84 C THR A 6 3.605 -9.593 -2.317 1.00 0.47 C ATOM 85 O THR A 6 3.251 -8.713 -1.505 1.00 0.45 O ATOM 86 CB THR A 6 5.132 -11.588 -2.066 1.00 0.74 C ATOM 87 OG1 THR A 6 5.012 -11.812 -0.647 1.00 0.84 O ATOM 88 CG2 THR A 6 6.447 -12.168 -2.572 1.00 1.01 C ATOM 0 H THR A 6 5.800 -9.598 -0.469 1.00 0.53 H new ATOM 0 HA THR A 6 5.434 -9.905 -3.354 1.00 0.54 H new ATOM 0 HB THR A 6 4.318 -12.087 -2.592 1.00 0.74 H new ATOM 0 HG1 THR A 6 5.062 -12.773 -0.462 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.479 -13.237 -2.360 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.525 -12.009 -3.648 1.00 1.01 H new ATOM 0 HG23 THR A 6 7.279 -11.674 -2.071 1.00 1.01 H new ATOM 96 N THR A 7 2.790 -10.160 -3.193 1.00 0.53 N ATOM 97 CA THR A 7 1.378 -9.875 -3.291 1.00 0.55 C ATOM 98 C THR A 7 0.715 -10.099 -1.917 1.00 0.49 C ATOM 99 O THR A 7 0.088 -9.189 -1.355 1.00 0.47 O ATOM 100 CB THR A 7 0.769 -10.834 -4.338 1.00 0.73 C ATOM 101 OG1 THR A 7 1.581 -10.787 -5.537 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.659 -10.426 -4.684 1.00 0.95 C ATOM 0 H THR A 7 3.108 -10.851 -3.873 1.00 0.53 H new ATOM 0 HA THR A 7 1.213 -8.841 -3.593 1.00 0.55 H new ATOM 0 HB THR A 7 0.749 -11.843 -3.925 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.206 -11.393 -6.210 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.066 -11.116 -5.423 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.274 -10.454 -3.784 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.660 -9.415 -5.093 1.00 0.95 H new ATOM 110 N ASP A 8 0.904 -11.303 -1.379 1.00 0.57 N ATOM 111 CA ASP A 8 0.339 -11.701 -0.084 1.00 0.61 C ATOM 112 C ASP A 8 0.802 -10.813 1.029 1.00 0.54 C ATOM 113 O ASP A 8 0.009 -10.430 1.885 1.00 0.53 O ATOM 114 CB ASP A 8 0.688 -13.150 0.279 1.00 0.81 C ATOM 115 CG ASP A 8 -0.049 -14.165 -0.535 1.00 1.41 C ATOM 116 OD1 ASP A 8 -1.173 -14.548 -0.161 1.00 1.86 O ATOM 117 OD2 ASP A 8 0.485 -14.606 -1.568 1.00 2.14 O ATOM 0 H ASP A 8 1.455 -12.035 -1.828 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.741 -11.607 -0.199 1.00 0.61 H new ATOM 0 HB2 ASP A 8 1.760 -13.300 0.148 1.00 0.81 H new ATOM 0 HB3 ASP A 8 0.469 -13.314 1.334 1.00 0.81 H new ATOM 122 N ASP A 9 2.074 -10.450 0.998 1.00 0.55 N ATOM 123 CA ASP A 9 2.663 -9.667 2.078 1.00 0.57 C ATOM 124 C ASP A 9 2.014 -8.293 2.133 1.00 0.50 C ATOM 125 O ASP A 9 1.514 -7.874 3.188 1.00 0.57 O ATOM 126 CB ASP A 9 4.180 -9.509 1.901 1.00 0.65 C ATOM 127 CG ASP A 9 4.867 -9.073 3.191 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.435 -8.090 3.812 1.00 1.61 O ATOM 129 OD2 ASP A 9 5.816 -9.755 3.628 1.00 1.61 O ATOM 0 H ASP A 9 2.718 -10.682 0.242 1.00 0.55 H new ATOM 0 HA ASP A 9 2.484 -10.201 3.011 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.606 -10.455 1.566 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.379 -8.776 1.119 1.00 0.65 H new ATOM 134 N LEU A 10 1.943 -7.642 0.975 1.00 0.43 N ATOM 135 CA LEU A 10 1.375 -6.306 0.871 1.00 0.43 C ATOM 136 C LEU A 10 -0.110 -6.332 1.202 1.00 0.41 C ATOM 137 O LEU A 10 -0.611 -5.451 1.914 1.00 0.47 O ATOM 138 CB LEU A 10 1.596 -5.737 -0.542 1.00 0.46 C ATOM 139 CG LEU A 10 1.030 -4.333 -0.812 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.632 -3.305 0.136 1.00 0.88 C ATOM 141 CD2 LEU A 10 1.273 -3.932 -2.259 1.00 0.79 C ATOM 0 H LEU A 10 2.276 -8.024 0.090 1.00 0.43 H new ATOM 0 HA LEU A 10 1.880 -5.660 1.589 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.668 -5.716 -0.738 1.00 0.46 H new ATOM 0 HB3 LEU A 10 1.154 -6.427 -1.261 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.045 -4.363 -0.634 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.213 -2.322 -0.079 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.402 -3.580 1.165 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.713 -3.275 0.002 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.866 -2.936 -2.434 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.344 -3.927 -2.460 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.783 -4.645 -2.921 1.00 0.79 H new ATOM 153 N ARG A 11 -0.798 -7.362 0.699 1.00 0.39 N ATOM 154 CA ARG A 11 -2.227 -7.560 0.937 1.00 0.44 C ATOM 155 C ARG A 11 -2.574 -7.473 2.412 1.00 0.44 C ATOM 156 O ARG A 11 -3.533 -6.801 2.783 1.00 0.48 O ATOM 157 CB ARG A 11 -2.715 -8.889 0.329 1.00 0.52 C ATOM 158 CG ARG A 11 -4.160 -9.233 0.669 1.00 0.70 C ATOM 159 CD ARG A 11 -4.719 -10.325 -0.224 1.00 0.85 C ATOM 160 NE ARG A 11 -3.972 -11.599 -0.195 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.316 -12.668 -0.943 1.00 1.67 C ATOM 162 NH1 ARG A 11 -5.522 -12.720 -1.484 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.507 -13.713 -1.062 1.00 2.23 N ATOM 0 H ARG A 11 -0.376 -8.083 0.114 1.00 0.39 H new ATOM 0 HA ARG A 11 -2.751 -6.747 0.434 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.609 -8.841 -0.755 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.069 -9.695 0.677 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.220 -9.552 1.710 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -4.776 -8.339 0.574 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -5.751 -10.520 0.068 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -4.742 -9.958 -1.250 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.160 -11.674 0.418 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -6.182 -11.957 -1.334 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -5.792 -13.523 -2.051 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -2.606 -13.718 -0.583 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -3.786 -14.511 -1.632 1.00 2.23 H new ATOM 177 N ARG A 12 -1.769 -8.127 3.239 1.00 0.47 N ATOM 178 CA ARG A 12 -1.981 -8.149 4.685 1.00 0.54 C ATOM 179 C ARG A 12 -1.999 -6.740 5.245 1.00 0.54 C ATOM 180 O ARG A 12 -2.954 -6.344 5.898 1.00 0.62 O ATOM 181 CB ARG A 12 -0.871 -8.905 5.391 1.00 0.64 C ATOM 182 CG ARG A 12 -0.625 -10.307 4.906 1.00 1.04 C ATOM 183 CD ARG A 12 0.560 -10.900 5.629 1.00 1.27 C ATOM 184 NE ARG A 12 1.772 -10.061 5.506 1.00 1.78 N ATOM 185 CZ ARG A 12 2.751 -9.996 6.429 1.00 2.34 C ATOM 186 NH1 ARG A 12 2.654 -10.700 7.555 1.00 2.59 N ATOM 187 NH2 ARG A 12 3.820 -9.228 6.224 1.00 3.25 N ATOM 0 H ARG A 12 -0.953 -8.656 2.931 1.00 0.47 H new ATOM 0 HA ARG A 12 -2.938 -8.642 4.856 1.00 0.54 H new ATOM 0 HB2 ARG A 12 0.053 -8.337 5.287 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.103 -8.944 6.455 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -1.510 -10.920 5.076 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -0.442 -10.303 3.832 1.00 1.04 H new ATOM 0 HD2 ARG A 12 0.314 -11.025 6.683 1.00 1.27 H new ATOM 0 HD3 ARG A 12 0.766 -11.893 5.230 1.00 1.27 H new ATOM 0 HE ARG A 12 1.873 -9.493 4.665 1.00 1.78 H new ATOM 0 HH11 ARG A 12 1.838 -11.289 7.719 1.00 2.59 H new ATOM 0 HH12 ARG A 12 3.396 -10.650 8.253 1.00 2.59 H new ATOM 0 HH21 ARG A 12 3.901 -8.685 5.364 1.00 3.25 H new ATOM 0 HH22 ARG A 12 4.558 -9.183 6.927 1.00 3.25 H new ATOM 201 N ALA A 13 -0.958 -5.983 4.933 1.00 0.52 N ATOM 202 CA ALA A 13 -0.781 -4.643 5.470 1.00 0.59 C ATOM 203 C ALA A 13 -1.882 -3.713 5.000 1.00 0.59 C ATOM 204 O ALA A 13 -2.337 -2.841 5.753 1.00 0.69 O ATOM 205 CB ALA A 13 0.585 -4.099 5.086 1.00 0.66 C ATOM 0 H ALA A 13 -0.214 -6.280 4.302 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.840 -4.701 6.557 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.705 -3.095 5.494 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.362 -4.749 5.488 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.670 -4.061 4.000 1.00 0.66 H new ATOM 211 N LEU A 14 -2.312 -3.906 3.771 1.00 0.52 N ATOM 212 CA LEU A 14 -3.386 -3.128 3.196 1.00 0.55 C ATOM 213 C LEU A 14 -4.710 -3.412 3.898 1.00 0.58 C ATOM 214 O LEU A 14 -5.406 -2.472 4.355 1.00 0.68 O ATOM 215 CB LEU A 14 -3.511 -3.392 1.695 1.00 0.52 C ATOM 216 CG LEU A 14 -2.339 -2.934 0.824 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.620 -3.242 -0.625 1.00 1.30 C ATOM 218 CD2 LEU A 14 -2.083 -1.449 0.999 1.00 1.05 C ATOM 0 H LEU A 14 -1.925 -4.609 3.142 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.143 -2.075 3.341 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.649 -4.463 1.547 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.416 -2.901 1.336 1.00 0.52 H new ATOM 0 HG LEU A 14 -1.447 -3.475 1.139 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -1.780 -2.912 -1.237 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -2.759 -4.316 -0.748 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.524 -2.721 -0.939 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -1.246 -1.148 0.370 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -2.973 -0.890 0.711 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -1.846 -1.241 2.042 1.00 1.05 H new ATOM 230 N VAL A 15 -5.050 -4.694 4.022 1.00 0.57 N ATOM 231 CA VAL A 15 -6.304 -5.103 4.644 1.00 0.66 C ATOM 232 C VAL A 15 -6.328 -4.781 6.163 1.00 0.72 C ATOM 233 O VAL A 15 -7.396 -4.725 6.801 1.00 0.91 O ATOM 234 CB VAL A 15 -6.708 -6.595 4.310 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.766 -7.619 4.905 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.150 -6.894 4.676 1.00 1.01 C ATOM 0 H VAL A 15 -4.471 -5.468 3.698 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.088 -4.496 4.191 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.615 -6.684 3.228 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.102 -8.621 4.637 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.760 -7.457 4.517 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.757 -7.517 5.990 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.381 -7.930 4.428 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.294 -6.736 5.745 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.812 -6.231 4.118 1.00 1.01 H new ATOM 246 N GLU A 16 -5.146 -4.524 6.725 1.00 0.66 N ATOM 247 CA GLU A 16 -5.032 -4.084 8.107 1.00 0.79 C ATOM 248 C GLU A 16 -5.562 -2.669 8.264 1.00 0.83 C ATOM 249 O GLU A 16 -6.163 -2.339 9.286 1.00 0.98 O ATOM 250 CB GLU A 16 -3.592 -4.170 8.623 1.00 0.94 C ATOM 251 CG GLU A 16 -3.097 -5.585 8.826 1.00 1.08 C ATOM 252 CD GLU A 16 -1.668 -5.648 9.291 1.00 1.28 C ATOM 253 OE1 GLU A 16 -1.381 -5.301 10.451 1.00 1.49 O ATOM 254 OE2 GLU A 16 -0.791 -6.042 8.497 1.00 1.71 O ATOM 0 H GLU A 16 -4.254 -4.615 6.238 1.00 0.66 H new ATOM 0 HA GLU A 16 -5.638 -4.761 8.709 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -2.933 -3.663 7.918 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -3.522 -3.632 9.568 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -3.733 -6.085 9.556 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -3.193 -6.135 7.890 1.00 1.08 H new ATOM 261 N SER A 17 -5.354 -1.846 7.256 1.00 0.77 N ATOM 262 CA SER A 17 -5.843 -0.492 7.291 1.00 0.91 C ATOM 263 C SER A 17 -7.316 -0.466 6.901 1.00 0.95 C ATOM 264 O SER A 17 -8.169 -0.078 7.689 1.00 1.24 O ATOM 265 CB SER A 17 -5.050 0.383 6.326 1.00 0.98 C ATOM 266 OG SER A 17 -3.660 0.194 6.480 1.00 1.24 O ATOM 0 H SER A 17 -4.850 -2.095 6.405 1.00 0.77 H new ATOM 0 HA SER A 17 -5.724 -0.105 8.303 1.00 0.91 H new ATOM 0 HB2 SER A 17 -5.339 0.150 5.301 1.00 0.98 H new ATOM 0 HB3 SER A 17 -5.297 1.431 6.496 1.00 0.98 H new ATOM 0 HG SER A 17 -3.180 0.768 5.847 1.00 1.24 H new ATOM 272 N ALA A 18 -7.610 -0.928 5.691 1.00 0.83 N ATOM 273 CA ALA A 18 -8.956 -0.881 5.177 1.00 0.94 C ATOM 274 C ALA A 18 -9.817 -1.996 5.733 1.00 1.41 C ATOM 275 O ALA A 18 -9.857 -3.110 5.199 1.00 2.05 O ATOM 276 CB ALA A 18 -8.983 -0.857 3.664 1.00 1.05 C ATOM 0 H ALA A 18 -6.927 -1.338 5.054 1.00 0.83 H new ATOM 0 HA ALA A 18 -9.389 0.058 5.521 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -10.016 -0.822 3.319 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.450 0.023 3.305 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.502 -1.755 3.277 1.00 1.05 H new ATOM 393 N GLY A 28 -7.450 -9.952 -2.421 1.00 0.95 N ATOM 394 CA GLY A 28 -7.429 -10.668 -3.681 1.00 1.09 C ATOM 395 C GLY A 28 -6.428 -10.075 -4.655 1.00 0.84 C ATOM 396 O GLY A 28 -5.214 -10.191 -4.444 1.00 1.04 O ATOM 0 HA2 GLY A 28 -7.182 -11.714 -3.499 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -8.424 -10.648 -4.126 1.00 1.09 H new ATOM 400 N ASP A 29 -6.913 -9.412 -5.687 1.00 0.80 N ATOM 401 CA ASP A 29 -6.042 -8.835 -6.709 1.00 0.86 C ATOM 402 C ASP A 29 -6.359 -7.364 -6.894 1.00 0.77 C ATOM 403 O ASP A 29 -7.305 -6.984 -7.582 1.00 1.01 O ATOM 404 CB ASP A 29 -6.142 -9.592 -8.035 1.00 1.28 C ATOM 405 CG ASP A 29 -5.226 -9.025 -9.095 1.00 1.96 C ATOM 406 OD1 ASP A 29 -4.008 -9.251 -9.026 1.00 2.61 O ATOM 407 OD2 ASP A 29 -5.705 -8.337 -10.014 1.00 2.38 O ATOM 0 H ASP A 29 -7.908 -9.256 -5.846 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.012 -8.931 -6.366 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -5.896 -10.641 -7.870 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -7.171 -9.558 -8.393 1.00 1.28 H new ATOM 412 N PHE A 30 -5.560 -6.556 -6.264 1.00 0.58 N ATOM 413 CA PHE A 30 -5.763 -5.112 -6.178 1.00 0.52 C ATOM 414 C PHE A 30 -4.687 -4.303 -6.916 1.00 0.46 C ATOM 415 O PHE A 30 -4.785 -3.094 -7.000 1.00 0.44 O ATOM 416 CB PHE A 30 -5.744 -4.733 -4.685 1.00 0.56 C ATOM 417 CG PHE A 30 -4.552 -5.331 -3.946 1.00 0.57 C ATOM 418 CD1 PHE A 30 -3.327 -4.686 -3.956 1.00 0.73 C ATOM 419 CD2 PHE A 30 -4.668 -6.505 -3.221 1.00 0.67 C ATOM 420 CE1 PHE A 30 -2.251 -5.197 -3.269 1.00 0.86 C ATOM 421 CE2 PHE A 30 -3.593 -7.019 -2.525 1.00 0.84 C ATOM 422 CZ PHE A 30 -2.378 -6.478 -2.648 1.00 0.89 C ATOM 0 H PHE A 30 -4.722 -6.876 -5.778 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.712 -4.872 -6.657 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -5.719 -3.647 -4.589 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.667 -5.074 -4.215 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -3.215 -3.767 -4.512 1.00 0.73 H new ATOM 0 HD2 PHE A 30 -5.614 -7.026 -3.200 1.00 0.67 H new ATOM 0 HE1 PHE A 30 -1.328 -4.641 -3.200 1.00 0.86 H new ATOM 0 HE2 PHE A 30 -3.736 -7.868 -1.873 1.00 0.84 H new ATOM 0 HZ PHE A 30 -1.506 -7.000 -2.284 1.00 0.89 H new ATOM 432 N LEU A 31 -3.682 -4.988 -7.445 1.00 0.48 N ATOM 433 CA LEU A 31 -2.484 -4.355 -8.031 1.00 0.49 C ATOM 434 C LEU A 31 -2.742 -3.237 -9.051 1.00 0.43 C ATOM 435 O LEU A 31 -2.074 -2.191 -9.001 1.00 0.46 O ATOM 436 CB LEU A 31 -1.516 -5.397 -8.587 1.00 0.62 C ATOM 437 CG LEU A 31 -0.871 -6.320 -7.549 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.061 -7.302 -8.226 1.00 1.15 C ATOM 439 CD2 LEU A 31 -0.112 -5.509 -6.503 1.00 1.53 C ATOM 0 H LEU A 31 -3.665 -6.007 -7.485 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.022 -3.843 -7.187 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.049 -6.012 -9.312 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -0.724 -4.879 -9.129 1.00 0.62 H new ATOM 0 HG LEU A 31 -1.663 -6.875 -7.046 1.00 0.73 H new ATOM 0 HD11 LEU A 31 0.512 -7.952 -7.476 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.502 -7.906 -8.938 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.844 -6.757 -8.752 1.00 1.15 H new ATOM 0 HD21 LEU A 31 0.338 -6.184 -5.775 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.670 -4.927 -6.991 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.801 -4.835 -5.994 1.00 1.53 H new ATOM 451 N ASP A 32 -3.683 -3.438 -9.957 1.00 0.43 N ATOM 452 CA ASP A 32 -3.947 -2.419 -10.986 1.00 0.49 C ATOM 453 C ASP A 32 -5.219 -1.646 -10.682 1.00 0.41 C ATOM 454 O ASP A 32 -5.637 -0.773 -11.457 1.00 0.51 O ATOM 455 CB ASP A 32 -3.993 -3.005 -12.421 1.00 0.68 C ATOM 456 CG ASP A 32 -5.277 -3.721 -12.784 1.00 1.43 C ATOM 457 OD1 ASP A 32 -5.501 -4.847 -12.291 1.00 2.17 O ATOM 458 OD2 ASP A 32 -6.112 -3.146 -13.519 1.00 1.99 O ATOM 0 H ASP A 32 -4.269 -4.271 -10.011 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.103 -1.730 -10.954 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.834 -2.195 -13.132 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -3.162 -3.700 -12.539 1.00 0.68 H new ATOM 463 N LEU A 33 -5.818 -1.945 -9.554 1.00 0.36 N ATOM 464 CA LEU A 33 -7.009 -1.250 -9.132 1.00 0.35 C ATOM 465 C LEU A 33 -6.576 0.021 -8.441 1.00 0.32 C ATOM 466 O LEU A 33 -5.513 0.059 -7.823 1.00 0.38 O ATOM 467 CB LEU A 33 -7.850 -2.122 -8.193 1.00 0.46 C ATOM 468 CG LEU A 33 -8.336 -3.459 -8.766 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.173 -4.204 -7.741 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.135 -3.243 -10.040 1.00 1.56 C ATOM 0 H LEU A 33 -5.498 -2.668 -8.910 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.634 -1.018 -9.994 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.263 -2.326 -7.297 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.721 -1.547 -7.879 1.00 0.46 H new ATOM 0 HG LEU A 33 -7.461 -4.062 -9.008 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -9.509 -5.150 -8.165 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -8.573 -4.397 -6.852 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -10.039 -3.600 -7.470 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -9.469 -4.205 -10.428 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -10.002 -2.618 -9.824 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -8.508 -2.750 -10.783 1.00 1.56 H new ATOM 482 N ARG A 34 -7.346 1.056 -8.556 1.00 0.39 N ATOM 483 CA ARG A 34 -6.942 2.322 -8.013 1.00 0.49 C ATOM 484 C ARG A 34 -7.310 2.327 -6.555 1.00 0.45 C ATOM 485 O ARG A 34 -8.341 1.750 -6.186 1.00 0.50 O ATOM 486 CB ARG A 34 -7.651 3.478 -8.738 1.00 0.73 C ATOM 487 CG ARG A 34 -7.655 3.355 -10.261 1.00 0.89 C ATOM 488 CD ARG A 34 -6.259 3.310 -10.856 1.00 0.95 C ATOM 489 NE ARG A 34 -6.306 3.004 -12.296 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.439 3.456 -13.217 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.398 4.203 -12.858 1.00 2.76 N ATOM 492 NH2 ARG A 34 -5.615 3.146 -14.500 1.00 3.48 N ATOM 0 H ARG A 34 -8.255 1.054 -9.018 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.869 2.460 -8.143 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.681 3.535 -8.387 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.168 4.415 -8.462 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -8.195 2.452 -10.546 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -8.198 4.198 -10.687 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -5.763 4.268 -10.701 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -5.665 2.556 -10.340 1.00 0.95 H new ATOM 0 HE ARG A 34 -7.060 2.398 -12.621 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.253 4.437 -11.876 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -3.745 4.541 -13.565 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -6.406 2.567 -14.781 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -4.958 3.488 -15.202 1.00 3.48 H new ATOM 506 N PHE A 35 -6.492 2.942 -5.717 1.00 0.43 N ATOM 507 CA PHE A 35 -6.833 3.076 -4.299 1.00 0.43 C ATOM 508 C PHE A 35 -8.231 3.659 -4.117 1.00 0.48 C ATOM 509 O PHE A 35 -8.996 3.214 -3.265 1.00 0.52 O ATOM 510 CB PHE A 35 -5.780 3.859 -3.511 1.00 0.44 C ATOM 511 CG PHE A 35 -4.521 3.078 -3.265 1.00 0.47 C ATOM 512 CD1 PHE A 35 -4.449 2.142 -2.258 1.00 0.52 C ATOM 513 CD2 PHE A 35 -3.399 3.298 -4.049 1.00 0.53 C ATOM 514 CE1 PHE A 35 -3.286 1.436 -2.036 1.00 0.58 C ATOM 515 CE2 PHE A 35 -2.234 2.597 -3.833 1.00 0.59 C ATOM 516 CZ PHE A 35 -2.215 1.610 -2.794 1.00 0.60 C ATOM 0 H PHE A 35 -5.597 3.353 -5.983 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.839 2.070 -3.880 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.533 4.771 -4.054 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -6.204 4.163 -2.554 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -5.312 1.959 -1.636 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -3.439 4.031 -4.841 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -3.248 0.724 -1.225 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -1.356 2.786 -4.432 1.00 0.59 H new ATOM 0 HZ PHE A 35 -1.331 1.011 -2.630 1.00 0.60 H new ATOM 526 N GLU A 36 -8.562 4.602 -4.977 1.00 0.53 N ATOM 527 CA GLU A 36 -9.870 5.237 -5.013 1.00 0.67 C ATOM 528 C GLU A 36 -11.006 4.203 -5.148 1.00 0.73 C ATOM 529 O GLU A 36 -12.006 4.277 -4.441 1.00 0.87 O ATOM 530 CB GLU A 36 -9.940 6.180 -6.193 1.00 0.75 C ATOM 531 CG GLU A 36 -8.800 7.161 -6.271 1.00 1.26 C ATOM 532 CD GLU A 36 -8.931 8.069 -7.448 1.00 1.59 C ATOM 533 OE1 GLU A 36 -8.852 7.588 -8.584 1.00 2.04 O ATOM 534 OE2 GLU A 36 -9.076 9.281 -7.262 1.00 1.90 O ATOM 0 H GLU A 36 -7.919 4.957 -5.685 1.00 0.53 H new ATOM 0 HA GLU A 36 -10.000 5.775 -4.074 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -9.962 5.593 -7.111 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -10.878 6.734 -6.146 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.767 7.753 -5.357 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -7.857 6.618 -6.334 1.00 1.26 H new ATOM 541 N ASP A 37 -10.832 3.213 -6.024 1.00 0.70 N ATOM 542 CA ASP A 37 -11.907 2.248 -6.275 1.00 0.83 C ATOM 543 C ASP A 37 -11.864 1.076 -5.312 1.00 0.82 C ATOM 544 O ASP A 37 -12.819 0.307 -5.224 1.00 0.98 O ATOM 545 CB ASP A 37 -11.982 1.758 -7.749 1.00 0.94 C ATOM 546 CG ASP A 37 -10.879 0.841 -8.208 1.00 1.41 C ATOM 547 OD1 ASP A 37 -10.983 -0.383 -8.017 1.00 1.71 O ATOM 548 OD2 ASP A 37 -9.952 1.319 -8.855 1.00 2.12 O ATOM 0 H ASP A 37 -9.979 3.058 -6.561 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.828 2.802 -6.092 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -12.933 1.245 -7.890 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.992 2.633 -8.399 1.00 0.94 H new ATOM 553 N ILE A 38 -10.769 0.936 -4.579 1.00 0.68 N ATOM 554 CA ILE A 38 -10.683 -0.127 -3.594 1.00 0.70 C ATOM 555 C ILE A 38 -11.037 0.354 -2.184 1.00 0.72 C ATOM 556 O ILE A 38 -10.899 -0.392 -1.209 1.00 0.82 O ATOM 557 CB ILE A 38 -9.341 -0.920 -3.606 1.00 0.69 C ATOM 558 CG1 ILE A 38 -8.138 -0.001 -3.364 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.185 -1.666 -4.915 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.795 -0.718 -3.350 1.00 0.75 C ATOM 0 H ILE A 38 -9.944 1.533 -4.646 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.443 -0.843 -3.907 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.372 -1.640 -2.789 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -8.119 0.765 -4.139 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -8.273 0.512 -2.412 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -8.244 -2.216 -4.911 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.013 -2.365 -5.036 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.186 -0.955 -5.741 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.999 0.005 -3.173 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.790 -1.465 -2.557 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -6.634 -1.208 -4.310 1.00 0.75 H new ATOM 572 N GLY A 39 -11.573 1.565 -2.102 1.00 0.75 N ATOM 573 CA GLY A 39 -12.059 2.094 -0.835 1.00 0.87 C ATOM 574 C GLY A 39 -11.025 2.874 -0.044 1.00 0.68 C ATOM 575 O GLY A 39 -11.216 3.128 1.148 1.00 0.76 O ATOM 0 H GLY A 39 -11.682 2.197 -2.895 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.914 2.741 -1.029 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.418 1.266 -0.223 1.00 0.87 H new ATOM 579 N TYR A 40 -9.952 3.277 -0.680 1.00 0.55 N ATOM 580 CA TYR A 40 -8.906 4.013 0.009 1.00 0.52 C ATOM 581 C TYR A 40 -8.992 5.485 -0.197 1.00 0.56 C ATOM 582 O TYR A 40 -9.017 5.982 -1.332 1.00 0.71 O ATOM 583 CB TYR A 40 -7.515 3.569 -0.395 1.00 0.60 C ATOM 584 CG TYR A 40 -7.042 2.310 0.238 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.571 1.093 -0.155 1.00 0.75 C ATOM 586 CD2 TYR A 40 -6.090 2.324 1.228 1.00 0.62 C ATOM 587 CE1 TYR A 40 -7.165 -0.072 0.431 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.674 1.166 1.816 1.00 0.79 C ATOM 589 CZ TYR A 40 -6.123 -0.002 1.397 1.00 0.93 C ATOM 590 OH TYR A 40 -5.810 -1.168 2.013 1.00 1.21 O ATOM 0 H TYR A 40 -9.775 3.111 -1.671 1.00 0.55 H new ATOM 0 HA TYR A 40 -9.074 3.787 1.062 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.492 3.443 -1.477 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.812 4.365 -0.151 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.316 1.064 -0.937 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.665 3.265 1.545 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.620 -1.016 0.169 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.969 1.205 2.634 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.811 -1.035 2.984 1.00 1.21 H new ATOM 600 N ASP A 41 -9.067 6.179 0.885 1.00 0.58 N ATOM 601 CA ASP A 41 -8.933 7.603 0.877 1.00 0.77 C ATOM 602 C ASP A 41 -7.481 7.918 1.065 1.00 0.91 C ATOM 603 O ASP A 41 -6.743 7.109 1.651 1.00 1.78 O ATOM 604 CB ASP A 41 -9.769 8.266 1.967 1.00 0.86 C ATOM 605 CG ASP A 41 -11.241 8.151 1.703 1.00 1.62 C ATOM 606 OD1 ASP A 41 -11.780 8.936 0.916 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.901 7.283 2.309 1.00 2.34 O ATOM 0 H ASP A 41 -9.224 5.777 1.809 1.00 0.58 H new ATOM 0 HA ASP A 41 -9.300 7.996 -0.071 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -9.538 7.808 2.929 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -9.496 9.319 2.041 1.00 0.86 H new ATOM 612 N SER A 42 -7.057 9.051 0.568 1.00 0.59 N ATOM 613 CA SER A 42 -5.677 9.497 0.657 1.00 0.58 C ATOM 614 C SER A 42 -5.144 9.476 2.103 1.00 0.51 C ATOM 615 O SER A 42 -3.977 9.156 2.346 1.00 0.51 O ATOM 616 CB SER A 42 -5.576 10.876 0.048 1.00 0.71 C ATOM 617 OG SER A 42 -6.595 11.737 0.641 1.00 0.97 O ATOM 0 H SER A 42 -7.667 9.707 0.080 1.00 0.59 H new ATOM 0 HA SER A 42 -5.047 8.802 0.101 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.584 11.292 0.223 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.713 10.821 -1.032 1.00 0.71 H new ATOM 0 HG SER A 42 -6.533 12.634 0.251 1.00 0.97 H new ATOM 622 N LEU A 43 -6.023 9.785 3.050 1.00 0.48 N ATOM 623 CA LEU A 43 -5.671 9.794 4.459 1.00 0.51 C ATOM 624 C LEU A 43 -5.276 8.367 4.885 1.00 0.46 C ATOM 625 O LEU A 43 -4.220 8.154 5.459 1.00 0.50 O ATOM 626 CB LEU A 43 -6.872 10.301 5.283 1.00 0.60 C ATOM 627 CG LEU A 43 -6.591 10.956 6.659 1.00 0.76 C ATOM 628 CD1 LEU A 43 -5.919 10.011 7.641 1.00 1.40 C ATOM 629 CD2 LEU A 43 -5.779 12.230 6.482 1.00 1.64 C ATOM 0 H LEU A 43 -6.994 10.035 2.861 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.827 10.460 4.635 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -7.412 11.025 4.673 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.544 9.458 5.446 1.00 0.60 H new ATOM 0 HG LEU A 43 -7.558 11.208 7.095 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -5.749 10.528 8.585 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -6.561 9.147 7.811 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -4.965 9.679 7.232 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -5.589 12.679 7.457 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -4.830 11.993 6.001 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -6.335 12.932 5.861 1.00 1.64 H new ATOM 641 N ALA A 44 -6.103 7.394 4.531 1.00 0.44 N ATOM 642 CA ALA A 44 -5.847 5.995 4.882 1.00 0.45 C ATOM 643 C ALA A 44 -4.611 5.475 4.150 1.00 0.41 C ATOM 644 O ALA A 44 -3.913 4.561 4.624 1.00 0.47 O ATOM 645 CB ALA A 44 -7.053 5.137 4.566 1.00 0.51 C ATOM 0 H ALA A 44 -6.961 7.543 3.999 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.659 5.940 5.954 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.843 4.101 4.834 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.912 5.492 5.136 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.274 5.199 3.500 1.00 0.51 H new ATOM 651 N LEU A 45 -4.334 6.064 3.004 1.00 0.39 N ATOM 652 CA LEU A 45 -3.167 5.716 2.230 1.00 0.42 C ATOM 653 C LEU A 45 -1.895 6.119 2.981 1.00 0.41 C ATOM 654 O LEU A 45 -0.956 5.319 3.080 1.00 0.44 O ATOM 655 CB LEU A 45 -3.219 6.347 0.828 1.00 0.50 C ATOM 656 CG LEU A 45 -2.051 6.019 -0.112 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.927 4.516 -0.320 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.240 6.713 -1.447 1.00 0.90 C ATOM 0 H LEU A 45 -4.911 6.794 2.587 1.00 0.39 H new ATOM 0 HA LEU A 45 -3.153 4.635 2.093 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.144 6.032 0.346 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.272 7.430 0.942 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.132 6.380 0.350 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -1.092 4.309 -0.990 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.752 4.029 0.639 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.848 4.132 -0.759 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.404 6.472 -2.104 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.170 6.375 -1.904 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.281 7.791 -1.294 1.00 0.90 H new ATOM 670 N MET A 46 -1.888 7.328 3.573 1.00 0.42 N ATOM 671 CA MET A 46 -0.711 7.782 4.326 1.00 0.48 C ATOM 672 C MET A 46 -0.534 6.919 5.574 1.00 0.46 C ATOM 673 O MET A 46 0.585 6.624 5.973 1.00 0.53 O ATOM 674 CB MET A 46 -0.767 9.294 4.727 1.00 0.57 C ATOM 675 CG MET A 46 -1.621 9.617 5.957 1.00 0.58 C ATOM 676 SD MET A 46 -1.544 11.345 6.473 1.00 1.46 S ATOM 677 CE MET A 46 -2.488 11.256 7.999 1.00 1.78 C ATOM 0 H MET A 46 -2.663 7.990 3.545 1.00 0.42 H new ATOM 0 HA MET A 46 0.145 7.673 3.660 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.250 9.642 4.910 1.00 0.57 H new ATOM 0 HB3 MET A 46 -1.150 9.863 3.880 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.658 9.358 5.744 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.299 8.987 6.786 1.00 0.58 H new ATOM 0 HE1 MET A 46 -3.317 11.963 7.956 1.00 1.78 H new ATOM 0 HE2 MET A 46 -2.878 10.246 8.127 1.00 1.78 H new ATOM 0 HE3 MET A 46 -1.842 11.505 8.841 1.00 1.78 H new ATOM 687 N GLU A 47 -1.665 6.480 6.157 1.00 0.44 N ATOM 688 CA GLU A 47 -1.652 5.628 7.351 1.00 0.49 C ATOM 689 C GLU A 47 -0.954 4.320 7.045 1.00 0.47 C ATOM 690 O GLU A 47 -0.066 3.873 7.779 1.00 0.51 O ATOM 691 CB GLU A 47 -3.079 5.337 7.830 1.00 0.54 C ATOM 692 CG GLU A 47 -3.873 6.568 8.222 1.00 0.78 C ATOM 693 CD GLU A 47 -5.139 6.222 8.956 1.00 1.06 C ATOM 694 OE1 GLU A 47 -6.185 5.985 8.319 1.00 1.88 O ATOM 695 OE2 GLU A 47 -5.104 6.173 10.201 1.00 1.03 O ATOM 0 H GLU A 47 -2.600 6.705 5.816 1.00 0.44 H new ATOM 0 HA GLU A 47 -1.116 6.158 8.139 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.614 4.811 7.039 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -3.031 4.663 8.685 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -3.256 7.211 8.850 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -4.119 7.139 7.327 1.00 0.78 H new ATOM 702 N THR A 48 -1.349 3.732 5.942 1.00 0.45 N ATOM 703 CA THR A 48 -0.777 2.504 5.473 1.00 0.48 C ATOM 704 C THR A 48 0.718 2.702 5.182 1.00 0.44 C ATOM 705 O THR A 48 1.554 1.949 5.684 1.00 0.46 O ATOM 706 CB THR A 48 -1.513 2.050 4.201 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.922 1.966 4.491 1.00 0.63 O ATOM 708 CG2 THR A 48 -1.019 0.685 3.752 1.00 0.65 C ATOM 0 H THR A 48 -2.086 4.101 5.341 1.00 0.45 H new ATOM 0 HA THR A 48 -0.884 1.736 6.239 1.00 0.48 H new ATOM 0 HB THR A 48 -1.324 2.769 3.404 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.318 2.861 4.451 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.553 0.383 2.851 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.049 0.736 3.541 1.00 0.65 H new ATOM 0 HG23 THR A 48 -1.198 -0.045 4.542 1.00 0.65 H new ATOM 716 N ALA A 49 1.032 3.737 4.397 1.00 0.45 N ATOM 717 CA ALA A 49 2.404 4.051 4.000 1.00 0.48 C ATOM 718 C ALA A 49 3.322 4.212 5.213 1.00 0.44 C ATOM 719 O ALA A 49 4.414 3.643 5.249 1.00 0.45 O ATOM 720 CB ALA A 49 2.428 5.304 3.138 1.00 0.57 C ATOM 0 H ALA A 49 0.338 4.382 4.019 1.00 0.45 H new ATOM 0 HA ALA A 49 2.782 3.212 3.416 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.455 5.527 2.849 1.00 0.57 H new ATOM 0 HB2 ALA A 49 1.826 5.142 2.244 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.020 6.142 3.703 1.00 0.57 H new ATOM 726 N ALA A 50 2.850 4.949 6.213 1.00 0.44 N ATOM 727 CA ALA A 50 3.598 5.178 7.441 1.00 0.46 C ATOM 728 C ALA A 50 3.880 3.869 8.163 1.00 0.44 C ATOM 729 O ALA A 50 5.000 3.629 8.615 1.00 0.44 O ATOM 730 CB ALA A 50 2.845 6.131 8.351 1.00 0.56 C ATOM 0 H ALA A 50 1.937 5.404 6.194 1.00 0.44 H new ATOM 0 HA ALA A 50 4.553 5.630 7.174 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.418 6.291 9.264 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.701 7.084 7.841 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.874 5.704 8.602 1.00 0.56 H new ATOM 736 N ARG A 51 2.871 3.007 8.237 1.00 0.46 N ATOM 737 CA ARG A 51 3.013 1.713 8.893 1.00 0.48 C ATOM 738 C ARG A 51 4.020 0.848 8.140 1.00 0.46 C ATOM 739 O ARG A 51 4.790 0.107 8.743 1.00 0.49 O ATOM 740 CB ARG A 51 1.668 0.989 8.985 1.00 0.54 C ATOM 741 CG ARG A 51 1.729 -0.346 9.728 1.00 0.78 C ATOM 742 CD ARG A 51 0.385 -1.043 9.731 1.00 0.80 C ATOM 743 NE ARG A 51 -0.659 -0.214 10.333 1.00 1.68 N ATOM 744 CZ ARG A 51 -1.837 0.061 9.748 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.139 -0.502 8.573 1.00 1.80 N ATOM 746 NH2 ARG A 51 -2.707 0.869 10.343 1.00 3.14 N ATOM 0 H ARG A 51 1.944 3.182 7.849 1.00 0.46 H new ATOM 0 HA ARG A 51 3.376 1.888 9.906 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.951 1.639 9.486 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.291 0.815 7.977 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.473 -0.990 9.259 1.00 0.78 H new ATOM 0 HG3 ARG A 51 2.055 -0.177 10.754 1.00 0.78 H new ATOM 0 HD2 ARG A 51 0.104 -1.294 8.708 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.464 -1.982 10.279 1.00 0.80 H new ATOM 0 HE ARG A 51 -0.481 0.181 11.257 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.477 -1.136 8.126 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -3.032 -0.297 8.124 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -2.482 1.283 11.247 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -3.600 1.075 9.895 1.00 3.14 H new ATOM 760 N LEU A 52 4.013 0.962 6.823 1.00 0.44 N ATOM 761 CA LEU A 52 4.934 0.227 5.970 1.00 0.46 C ATOM 762 C LEU A 52 6.365 0.647 6.260 1.00 0.38 C ATOM 763 O LEU A 52 7.254 -0.210 6.411 1.00 0.40 O ATOM 764 CB LEU A 52 4.599 0.461 4.499 1.00 0.55 C ATOM 765 CG LEU A 52 3.215 -0.003 4.056 1.00 0.70 C ATOM 766 CD1 LEU A 52 2.928 0.461 2.655 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.100 -1.513 4.142 1.00 0.80 C ATOM 0 H LEU A 52 3.369 1.567 6.314 1.00 0.44 H new ATOM 0 HA LEU A 52 4.832 -0.837 6.182 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.689 1.527 4.289 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.346 -0.048 3.889 1.00 0.55 H new ATOM 0 HG LEU A 52 2.478 0.437 4.728 1.00 0.70 H new ATOM 0 HD11 LEU A 52 1.937 0.121 2.355 1.00 0.83 H new ATOM 0 HD12 LEU A 52 2.965 1.550 2.618 1.00 0.83 H new ATOM 0 HD13 LEU A 52 3.674 0.049 1.975 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.105 -1.821 3.821 1.00 0.80 H new ATOM 0 HD22 LEU A 52 3.848 -1.972 3.496 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.265 -1.832 5.171 1.00 0.80 H new ATOM 779 N GLU A 53 6.579 1.961 6.373 1.00 0.35 N ATOM 780 CA GLU A 53 7.889 2.512 6.700 1.00 0.33 C ATOM 781 C GLU A 53 8.357 1.983 8.038 1.00 0.34 C ATOM 782 O GLU A 53 9.500 1.525 8.173 1.00 0.41 O ATOM 783 CB GLU A 53 7.870 4.044 6.731 1.00 0.34 C ATOM 784 CG GLU A 53 7.473 4.688 5.421 1.00 0.35 C ATOM 785 CD GLU A 53 7.541 6.195 5.463 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.730 6.814 6.186 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.420 6.800 4.805 1.00 0.49 O ATOM 0 H GLU A 53 5.853 2.665 6.241 1.00 0.35 H new ATOM 0 HA GLU A 53 8.580 2.199 5.918 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.179 4.372 7.508 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.860 4.402 7.013 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.126 4.322 4.629 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.459 4.382 5.164 1.00 0.35 H new ATOM 794 N SER A 54 7.466 2.018 9.005 1.00 0.36 N ATOM 795 CA SER A 54 7.746 1.545 10.336 1.00 0.43 C ATOM 796 C SER A 54 8.062 0.039 10.352 1.00 0.42 C ATOM 797 O SER A 54 9.147 -0.371 10.779 1.00 0.48 O ATOM 798 CB SER A 54 6.551 1.833 11.236 1.00 0.55 C ATOM 799 OG SER A 54 6.210 3.215 11.215 1.00 1.22 O ATOM 0 H SER A 54 6.520 2.379 8.885 1.00 0.36 H new ATOM 0 HA SER A 54 8.627 2.070 10.704 1.00 0.43 H new ATOM 0 HB2 SER A 54 5.696 1.240 10.910 1.00 0.55 H new ATOM 0 HB3 SER A 54 6.780 1.528 12.257 1.00 0.55 H new ATOM 0 HG SER A 54 5.749 3.426 10.376 1.00 1.22 H new ATOM 805 N ARG A 55 7.144 -0.755 9.838 1.00 0.44 N ATOM 806 CA ARG A 55 7.223 -2.205 9.894 1.00 0.51 C ATOM 807 C ARG A 55 8.372 -2.783 9.077 1.00 0.56 C ATOM 808 O ARG A 55 9.142 -3.598 9.575 1.00 0.64 O ATOM 809 CB ARG A 55 5.901 -2.826 9.433 1.00 0.60 C ATOM 810 CG ARG A 55 5.873 -4.341 9.503 1.00 0.77 C ATOM 811 CD ARG A 55 4.573 -4.905 8.971 1.00 0.95 C ATOM 812 NE ARG A 55 3.412 -4.504 9.762 1.00 1.51 N ATOM 813 CZ ARG A 55 2.161 -4.929 9.530 1.00 1.97 C ATOM 814 NH1 ARG A 55 1.871 -5.648 8.438 1.00 1.87 N ATOM 815 NH2 ARG A 55 1.196 -4.617 10.377 1.00 2.88 N ATOM 0 H ARG A 55 6.310 -0.409 9.363 1.00 0.44 H new ATOM 0 HA ARG A 55 7.417 -2.458 10.936 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.092 -2.429 10.046 1.00 0.60 H new ATOM 0 HB3 ARG A 55 5.704 -2.516 8.407 1.00 0.60 H new ATOM 0 HG2 ARG A 55 6.707 -4.747 8.930 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.012 -4.660 10.536 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.435 -4.577 7.941 1.00 0.95 H new ATOM 0 HD3 ARG A 55 4.636 -5.993 8.953 1.00 0.95 H new ATOM 0 HE ARG A 55 3.562 -3.861 10.539 1.00 1.51 H new ATOM 0 HH11 ARG A 55 2.606 -5.879 7.770 1.00 1.87 H new ATOM 0 HH12 ARG A 55 0.915 -5.964 8.275 1.00 1.87 H new ATOM 0 HH21 ARG A 55 1.404 -4.055 11.203 1.00 2.88 H new ATOM 0 HH22 ARG A 55 0.243 -4.938 10.205 1.00 2.88 H new ATOM 829 N TYR A 56 8.498 -2.363 7.837 1.00 0.56 N ATOM 830 CA TYR A 56 9.471 -2.989 6.957 1.00 0.67 C ATOM 831 C TYR A 56 10.806 -2.275 6.961 1.00 0.70 C ATOM 832 O TYR A 56 11.753 -2.731 6.326 1.00 0.86 O ATOM 833 CB TYR A 56 8.912 -3.153 5.535 1.00 0.75 C ATOM 834 CG TYR A 56 7.630 -3.964 5.511 1.00 0.85 C ATOM 835 CD1 TYR A 56 7.575 -5.244 6.046 1.00 1.09 C ATOM 836 CD2 TYR A 56 6.480 -3.449 4.927 1.00 0.82 C ATOM 837 CE1 TYR A 56 6.407 -5.985 5.997 1.00 1.24 C ATOM 838 CE2 TYR A 56 5.319 -4.186 4.867 1.00 0.96 C ATOM 839 CZ TYR A 56 5.279 -5.445 5.536 1.00 1.17 C ATOM 840 OH TYR A 56 4.127 -6.188 5.322 1.00 1.33 O ATOM 0 H TYR A 56 7.954 -1.608 7.419 1.00 0.56 H new ATOM 0 HA TYR A 56 9.661 -3.986 7.355 1.00 0.67 H new ATOM 0 HB2 TYR A 56 8.725 -2.169 5.105 1.00 0.75 H new ATOM 0 HB3 TYR A 56 9.659 -3.639 4.907 1.00 0.75 H new ATOM 0 HD1 TYR A 56 8.455 -5.667 6.507 1.00 1.09 H new ATOM 0 HD2 TYR A 56 6.497 -2.452 4.512 1.00 0.82 H new ATOM 0 HE1 TYR A 56 6.410 -7.011 6.336 1.00 1.24 H new ATOM 0 HE2 TYR A 56 4.459 -3.820 4.326 1.00 0.96 H new ATOM 0 HH TYR A 56 4.132 -6.544 4.409 1.00 1.33 H new ATOM 850 N GLY A 57 10.892 -1.192 7.713 1.00 0.61 N ATOM 851 CA GLY A 57 12.136 -0.440 7.802 1.00 0.68 C ATOM 852 C GLY A 57 12.491 0.215 6.490 1.00 0.72 C ATOM 853 O GLY A 57 13.639 0.170 6.040 1.00 0.91 O ATOM 0 H GLY A 57 10.124 -0.814 8.267 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.045 0.322 8.576 1.00 0.68 H new ATOM 0 HA3 GLY A 57 12.943 -1.107 8.105 1.00 0.68 H new ATOM 857 N VAL A 58 11.500 0.792 5.867 1.00 0.62 N ATOM 858 CA VAL A 58 11.678 1.453 4.600 1.00 0.65 C ATOM 859 C VAL A 58 11.507 2.948 4.773 1.00 0.57 C ATOM 860 O VAL A 58 11.174 3.415 5.862 1.00 0.50 O ATOM 861 CB VAL A 58 10.730 0.922 3.475 1.00 0.67 C ATOM 862 CG1 VAL A 58 10.937 -0.564 3.244 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.268 1.206 3.788 1.00 0.57 C ATOM 0 H VAL A 58 10.544 0.818 6.223 1.00 0.62 H new ATOM 0 HA VAL A 58 12.692 1.226 4.270 1.00 0.65 H new ATOM 0 HB VAL A 58 10.988 1.457 2.561 1.00 0.67 H new ATOM 0 HG11 VAL A 58 10.265 -0.907 2.457 1.00 0.81 H new ATOM 0 HG12 VAL A 58 11.969 -0.745 2.945 1.00 0.81 H new ATOM 0 HG13 VAL A 58 10.725 -1.108 4.164 1.00 0.81 H new ATOM 0 HG21 VAL A 58 8.642 0.822 2.983 1.00 0.57 H new ATOM 0 HG22 VAL A 58 8.995 0.718 4.724 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.118 2.282 3.882 1.00 0.57 H new ATOM 873 N SER A 59 11.770 3.694 3.749 1.00 0.63 N ATOM 874 CA SER A 59 11.582 5.111 3.774 1.00 0.63 C ATOM 875 C SER A 59 10.952 5.532 2.453 1.00 0.62 C ATOM 876 O SER A 59 11.568 5.409 1.389 1.00 0.73 O ATOM 877 CB SER A 59 12.939 5.783 3.984 1.00 0.83 C ATOM 878 OG SER A 59 13.586 5.225 5.132 1.00 1.41 O ATOM 0 H SER A 59 12.125 3.335 2.863 1.00 0.63 H new ATOM 0 HA SER A 59 10.922 5.411 4.588 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.563 5.645 3.101 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.806 6.857 4.116 1.00 0.83 H new ATOM 0 HG SER A 59 14.455 5.658 5.260 1.00 1.41 H new ATOM 884 N ILE A 60 9.735 5.997 2.508 1.00 0.52 N ATOM 885 CA ILE A 60 9.018 6.339 1.313 1.00 0.53 C ATOM 886 C ILE A 60 9.278 7.791 0.947 1.00 0.59 C ATOM 887 O ILE A 60 9.066 8.697 1.757 1.00 0.67 O ATOM 888 CB ILE A 60 7.487 6.072 1.455 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.244 4.591 1.805 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.748 6.448 0.165 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.788 4.213 1.985 1.00 0.55 C ATOM 0 H ILE A 60 9.217 6.148 3.374 1.00 0.52 H new ATOM 0 HA ILE A 60 9.383 5.698 0.511 1.00 0.53 H new ATOM 0 HB ILE A 60 7.097 6.694 2.260 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.671 3.971 1.017 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.782 4.356 2.723 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.682 6.254 0.286 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.902 7.506 -0.047 1.00 0.57 H new ATOM 0 HG23 ILE A 60 7.134 5.852 -0.662 1.00 0.57 H new ATOM 0 HD11 ILE A 60 5.715 3.153 2.229 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.356 4.802 2.794 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.244 4.411 1.062 1.00 0.55 H new ATOM 903 N PRO A 61 9.829 8.026 -0.251 1.00 0.62 N ATOM 904 CA PRO A 61 10.057 9.367 -0.756 1.00 0.71 C ATOM 905 C PRO A 61 8.724 10.076 -1.001 1.00 0.65 C ATOM 906 O PRO A 61 7.754 9.456 -1.479 1.00 0.57 O ATOM 907 CB PRO A 61 10.803 9.135 -2.082 1.00 0.78 C ATOM 908 CG PRO A 61 11.302 7.739 -2.002 1.00 0.77 C ATOM 909 CD PRO A 61 10.288 7.005 -1.197 1.00 0.64 C ATOM 0 HA PRO A 61 10.616 9.996 -0.063 1.00 0.71 H new ATOM 0 HB2 PRO A 61 10.140 9.269 -2.937 1.00 0.78 H new ATOM 0 HB3 PRO A 61 11.624 9.842 -2.202 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.408 7.302 -2.995 1.00 0.77 H new ATOM 0 HG3 PRO A 61 12.284 7.699 -1.530 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.473 6.631 -1.816 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.721 6.145 -0.686 1.00 0.64 H new ATOM 917 N ASP A 62 8.693 11.361 -0.712 1.00 0.75 N ATOM 918 CA ASP A 62 7.479 12.193 -0.794 1.00 0.78 C ATOM 919 C ASP A 62 6.873 12.165 -2.191 1.00 0.68 C ATOM 920 O ASP A 62 5.652 12.089 -2.358 1.00 0.67 O ATOM 921 CB ASP A 62 7.806 13.636 -0.400 1.00 0.99 C ATOM 922 CG ASP A 62 6.601 14.552 -0.430 1.00 1.34 C ATOM 923 OD1 ASP A 62 6.321 15.166 -1.484 1.00 2.03 O ATOM 924 OD2 ASP A 62 5.930 14.704 0.607 1.00 1.88 O ATOM 0 H ASP A 62 9.517 11.878 -0.407 1.00 0.75 H new ATOM 0 HA ASP A 62 6.746 11.781 -0.101 1.00 0.78 H new ATOM 0 HB2 ASP A 62 8.235 13.644 0.602 1.00 0.99 H new ATOM 0 HB3 ASP A 62 8.567 14.026 -1.075 1.00 0.99 H new ATOM 929 N ASP A 63 7.733 12.130 -3.187 1.00 0.67 N ATOM 930 CA ASP A 63 7.300 12.139 -4.584 1.00 0.67 C ATOM 931 C ASP A 63 6.680 10.813 -4.953 1.00 0.58 C ATOM 932 O ASP A 63 5.796 10.737 -5.806 1.00 0.60 O ATOM 933 CB ASP A 63 8.475 12.420 -5.530 1.00 0.85 C ATOM 934 CG ASP A 63 9.022 13.825 -5.434 1.00 1.44 C ATOM 935 OD1 ASP A 63 9.781 14.129 -4.488 1.00 2.23 O ATOM 936 OD2 ASP A 63 8.748 14.631 -6.336 1.00 1.95 O ATOM 0 H ASP A 63 8.745 12.095 -3.062 1.00 0.67 H new ATOM 0 HA ASP A 63 6.562 12.934 -4.691 1.00 0.67 H new ATOM 0 HB2 ASP A 63 9.277 11.714 -5.315 1.00 0.85 H new ATOM 0 HB3 ASP A 63 8.154 12.236 -6.555 1.00 0.85 H new ATOM 941 N VAL A 64 7.123 9.769 -4.300 1.00 0.60 N ATOM 942 CA VAL A 64 6.607 8.459 -4.568 1.00 0.64 C ATOM 943 C VAL A 64 5.274 8.258 -3.854 1.00 0.60 C ATOM 944 O VAL A 64 4.354 7.664 -4.400 1.00 0.58 O ATOM 945 CB VAL A 64 7.598 7.337 -4.191 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.035 5.978 -4.584 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.929 7.567 -4.874 1.00 0.98 C ATOM 0 H VAL A 64 7.842 9.805 -3.578 1.00 0.60 H new ATOM 0 HA VAL A 64 6.454 8.393 -5.645 1.00 0.64 H new ATOM 0 HB VAL A 64 7.748 7.353 -3.111 1.00 0.84 H new ATOM 0 HG11 VAL A 64 7.745 5.197 -4.312 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.093 5.810 -4.062 1.00 0.97 H new ATOM 0 HG13 VAL A 64 6.863 5.953 -5.660 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.621 6.770 -4.601 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.788 7.571 -5.955 1.00 0.98 H new ATOM 0 HG23 VAL A 64 9.339 8.527 -4.559 1.00 0.98 H new ATOM 957 N ALA A 65 5.165 8.807 -2.660 1.00 0.72 N ATOM 958 CA ALA A 65 3.951 8.687 -1.853 1.00 0.85 C ATOM 959 C ALA A 65 2.725 9.280 -2.571 1.00 0.80 C ATOM 960 O ALA A 65 1.604 8.837 -2.371 1.00 0.90 O ATOM 961 CB ALA A 65 4.159 9.341 -0.496 1.00 1.09 C ATOM 0 H ALA A 65 5.908 9.348 -2.217 1.00 0.72 H new ATOM 0 HA ALA A 65 3.750 7.626 -1.704 1.00 0.85 H new ATOM 0 HB1 ALA A 65 3.249 9.246 0.097 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.983 8.850 0.022 1.00 1.09 H new ATOM 0 HB3 ALA A 65 4.394 10.396 -0.633 1.00 1.09 H new ATOM 967 N GLY A 66 2.960 10.245 -3.442 1.00 0.73 N ATOM 968 CA GLY A 66 1.870 10.863 -4.160 1.00 0.81 C ATOM 969 C GLY A 66 1.708 10.345 -5.581 1.00 0.73 C ATOM 970 O GLY A 66 0.852 10.833 -6.325 1.00 0.92 O ATOM 0 H GLY A 66 3.886 10.611 -3.665 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.943 10.694 -3.612 1.00 0.81 H new ATOM 0 HA3 GLY A 66 2.030 11.941 -4.191 1.00 0.81 H new ATOM 974 N ARG A 67 2.533 9.380 -5.981 1.00 0.56 N ATOM 975 CA ARG A 67 2.428 8.820 -7.338 1.00 0.61 C ATOM 976 C ARG A 67 1.771 7.452 -7.297 1.00 0.58 C ATOM 977 O ARG A 67 1.486 6.855 -8.337 1.00 0.79 O ATOM 978 CB ARG A 67 3.801 8.693 -8.032 1.00 0.63 C ATOM 979 CG ARG A 67 4.726 7.670 -7.393 1.00 0.57 C ATOM 980 CD ARG A 67 6.038 7.527 -8.142 1.00 0.87 C ATOM 981 NE ARG A 67 5.879 6.809 -9.407 1.00 1.64 N ATOM 982 CZ ARG A 67 6.427 7.157 -10.570 1.00 2.30 C ATOM 983 NH1 ARG A 67 7.060 8.324 -10.696 1.00 2.40 N ATOM 984 NH2 ARG A 67 6.303 6.345 -11.608 1.00 3.30 N ATOM 0 H ARG A 67 3.269 8.973 -5.404 1.00 0.56 H new ATOM 0 HA ARG A 67 1.819 9.516 -7.915 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.645 8.424 -9.077 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.292 9.666 -8.024 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.929 7.962 -6.363 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.224 6.703 -7.357 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.452 8.516 -8.338 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.756 6.999 -7.515 1.00 0.87 H new ATOM 0 HE ARG A 67 5.299 5.970 -9.397 1.00 1.64 H new ATOM 0 HH11 ARG A 67 7.127 8.957 -9.899 1.00 2.40 H new ATOM 0 HH12 ARG A 67 7.477 8.584 -11.590 1.00 2.40 H new ATOM 0 HH21 ARG A 67 5.793 5.467 -11.511 1.00 3.30 H new ATOM 0 HH22 ARG A 67 6.717 6.597 -12.505 1.00 3.30 H new ATOM 998 N VAL A 68 1.576 6.936 -6.115 1.00 0.45 N ATOM 999 CA VAL A 68 1.030 5.655 -5.954 1.00 0.45 C ATOM 1000 C VAL A 68 -0.511 5.677 -5.917 1.00 0.46 C ATOM 1001 O VAL A 68 -1.144 5.807 -4.872 1.00 0.53 O ATOM 1002 CB VAL A 68 1.704 4.904 -4.758 1.00 0.53 C ATOM 1003 CG1 VAL A 68 1.812 5.743 -3.508 1.00 1.45 C ATOM 1004 CG2 VAL A 68 0.983 3.655 -4.452 1.00 0.85 C ATOM 0 H VAL A 68 1.800 7.412 -5.241 1.00 0.45 H new ATOM 0 HA VAL A 68 1.266 5.065 -6.840 1.00 0.45 H new ATOM 0 HB VAL A 68 2.720 4.678 -5.083 1.00 0.53 H new ATOM 0 HG11 VAL A 68 2.288 5.161 -2.719 1.00 1.45 H new ATOM 0 HG12 VAL A 68 2.410 6.630 -3.716 1.00 1.45 H new ATOM 0 HG13 VAL A 68 0.816 6.045 -3.185 1.00 1.45 H new ATOM 0 HG21 VAL A 68 1.469 3.149 -3.617 1.00 0.85 H new ATOM 0 HG22 VAL A 68 -0.048 3.886 -4.185 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.995 3.005 -5.327 1.00 0.85 H new ATOM 1014 N ASP A 69 -1.079 5.687 -7.104 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.525 5.600 -7.292 1.00 0.53 C ATOM 1016 C ASP A 69 -2.916 4.138 -7.456 1.00 0.42 C ATOM 1017 O ASP A 69 -4.069 3.749 -7.233 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.969 6.411 -8.526 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.337 5.934 -9.820 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -1.127 6.187 -10.027 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -3.042 5.313 -10.669 1.00 2.04 O ATOM 0 H ASP A 69 -0.554 5.756 -7.976 1.00 0.47 H new ATOM 0 HA ASP A 69 -3.024 6.020 -6.419 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -4.054 6.354 -8.618 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -2.716 7.460 -8.372 1.00 0.71 H new ATOM 1026 N THR A 70 -1.943 3.335 -7.831 1.00 0.35 N ATOM 1027 CA THR A 70 -2.097 1.913 -7.941 1.00 0.29 C ATOM 1028 C THR A 70 -1.104 1.232 -6.999 1.00 0.26 C ATOM 1029 O THR A 70 0.043 1.694 -6.870 1.00 0.29 O ATOM 1030 CB THR A 70 -1.868 1.426 -9.397 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.709 2.077 -9.979 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.095 1.671 -10.257 1.00 0.39 C ATOM 0 H THR A 70 -1.008 3.665 -8.071 1.00 0.35 H new ATOM 0 HA THR A 70 -3.118 1.651 -7.664 1.00 0.29 H new ATOM 0 HB THR A 70 -1.685 0.352 -9.363 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.580 1.756 -10.896 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.905 1.320 -11.271 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.945 1.132 -9.840 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.317 2.738 -10.278 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.523 0.150 -6.303 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.662 -0.602 -5.371 1.00 0.31 C ATOM 1042 C PRO A 71 0.637 -1.083 -6.019 1.00 0.32 C ATOM 1043 O PRO A 71 1.619 -1.330 -5.328 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.531 -1.786 -4.964 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.917 -1.280 -5.114 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.889 -0.405 -6.329 1.00 0.30 C ATOM 0 HA PRO A 71 -0.338 0.016 -4.533 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.351 -2.652 -5.601 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.328 -2.097 -3.939 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.624 -2.100 -5.236 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.229 -0.719 -4.233 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.077 -0.973 -7.240 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.645 0.379 -6.280 1.00 0.30 H new ATOM 1054 N ARG A 72 0.618 -1.229 -7.343 1.00 0.32 N ATOM 1055 CA ARG A 72 1.803 -1.571 -8.129 1.00 0.38 C ATOM 1056 C ARG A 72 2.971 -0.609 -7.804 1.00 0.35 C ATOM 1057 O ARG A 72 4.094 -1.044 -7.558 1.00 0.36 O ATOM 1058 CB ARG A 72 1.475 -1.511 -9.621 1.00 0.45 C ATOM 1059 CG ARG A 72 2.628 -1.908 -10.530 1.00 0.88 C ATOM 1060 CD ARG A 72 2.263 -1.736 -11.992 1.00 0.81 C ATOM 1061 NE ARG A 72 1.114 -2.570 -12.393 1.00 0.86 N ATOM 1062 CZ ARG A 72 0.031 -2.145 -13.065 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.206 -0.842 -13.231 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -0.839 -3.027 -13.539 1.00 1.55 N ATOM 0 H ARG A 72 -0.226 -1.113 -7.904 1.00 0.32 H new ATOM 0 HA ARG A 72 2.109 -2.585 -7.870 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.627 -2.166 -9.822 1.00 0.45 H new ATOM 0 HB3 ARG A 72 1.162 -0.498 -9.872 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.503 -1.300 -10.298 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.902 -2.946 -10.341 1.00 0.88 H new ATOM 0 HD2 ARG A 72 2.031 -0.688 -12.184 1.00 0.81 H new ATOM 0 HD3 ARG A 72 3.124 -1.990 -12.610 1.00 0.81 H new ATOM 0 HE ARG A 72 1.145 -3.557 -12.137 1.00 0.86 H new ATOM 0 HH11 ARG A 72 0.440 -0.153 -12.845 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -1.033 -0.535 -13.744 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -0.685 -4.025 -13.393 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -1.662 -2.708 -14.050 1.00 1.55 H new ATOM 1078 N GLU A 73 2.664 0.697 -7.750 1.00 0.34 N ATOM 1079 CA GLU A 73 3.671 1.735 -7.465 1.00 0.36 C ATOM 1080 C GLU A 73 4.211 1.569 -6.048 1.00 0.32 C ATOM 1081 O GLU A 73 5.401 1.773 -5.784 1.00 0.35 O ATOM 1082 CB GLU A 73 3.051 3.133 -7.582 1.00 0.42 C ATOM 1083 CG GLU A 73 2.522 3.511 -8.953 1.00 0.60 C ATOM 1084 CD GLU A 73 3.605 3.631 -9.990 1.00 1.37 C ATOM 1085 OE1 GLU A 73 4.389 4.604 -9.929 1.00 1.78 O ATOM 1086 OE2 GLU A 73 3.727 2.726 -10.846 1.00 2.18 O ATOM 0 H GLU A 73 1.723 1.061 -7.900 1.00 0.34 H new ATOM 0 HA GLU A 73 4.478 1.627 -8.190 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.233 3.208 -6.865 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.801 3.868 -7.288 1.00 0.42 H new ATOM 0 HG2 GLU A 73 1.799 2.762 -9.276 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.989 4.459 -8.882 1.00 0.60 H new ATOM 1093 N LEU A 74 3.320 1.192 -5.151 1.00 0.31 N ATOM 1094 CA LEU A 74 3.639 1.011 -3.748 1.00 0.32 C ATOM 1095 C LEU A 74 4.572 -0.187 -3.617 1.00 0.30 C ATOM 1096 O LEU A 74 5.623 -0.103 -2.978 1.00 0.31 O ATOM 1097 CB LEU A 74 2.325 0.786 -2.951 1.00 0.36 C ATOM 1098 CG LEU A 74 2.358 0.996 -1.424 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.174 -0.068 -0.726 1.00 0.44 C ATOM 1100 CD2 LEU A 74 2.887 2.389 -1.092 1.00 0.44 C ATOM 0 H LEU A 74 2.344 1.001 -5.378 1.00 0.31 H new ATOM 0 HA LEU A 74 4.136 1.893 -3.345 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.567 1.452 -3.363 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.990 -0.234 -3.140 1.00 0.36 H new ATOM 0 HG LEU A 74 1.336 0.910 -1.056 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.171 0.118 0.348 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.741 -1.048 -0.926 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.199 -0.042 -1.096 1.00 0.44 H new ATOM 0 HD21 LEU A 74 2.905 2.523 -0.010 1.00 0.44 H new ATOM 0 HD22 LEU A 74 3.897 2.499 -1.488 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.238 3.141 -1.540 1.00 0.44 H new ATOM 1112 N LEU A 75 4.172 -1.279 -4.256 1.00 0.29 N ATOM 1113 CA LEU A 75 4.918 -2.523 -4.280 1.00 0.30 C ATOM 1114 C LEU A 75 6.332 -2.256 -4.774 1.00 0.29 C ATOM 1115 O LEU A 75 7.311 -2.642 -4.131 1.00 0.30 O ATOM 1116 CB LEU A 75 4.210 -3.515 -5.215 1.00 0.33 C ATOM 1117 CG LEU A 75 4.812 -4.914 -5.326 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.731 -5.639 -3.995 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.108 -5.706 -6.416 1.00 0.45 C ATOM 0 H LEU A 75 3.300 -1.322 -4.783 1.00 0.29 H new ATOM 0 HA LEU A 75 4.968 -2.947 -3.277 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.177 -3.616 -4.882 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.182 -3.078 -6.213 1.00 0.33 H new ATOM 0 HG LEU A 75 5.864 -4.819 -5.595 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.165 -6.634 -4.096 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.282 -5.077 -3.241 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.688 -5.727 -3.692 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.547 -6.701 -6.484 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.048 -5.793 -6.176 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.223 -5.193 -7.371 1.00 0.45 H new ATOM 1131 N ASP A 76 6.416 -1.548 -5.895 1.00 0.31 N ATOM 1132 CA ASP A 76 7.691 -1.168 -6.494 1.00 0.34 C ATOM 1133 C ASP A 76 8.550 -0.364 -5.530 1.00 0.32 C ATOM 1134 O ASP A 76 9.756 -0.619 -5.411 1.00 0.34 O ATOM 1135 CB ASP A 76 7.486 -0.380 -7.785 1.00 0.45 C ATOM 1136 CG ASP A 76 8.797 0.096 -8.386 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.581 -0.743 -8.875 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.071 1.311 -8.370 1.00 1.25 O ATOM 0 H ASP A 76 5.602 -1.221 -6.415 1.00 0.31 H new ATOM 0 HA ASP A 76 8.215 -2.095 -6.728 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.963 -1.004 -8.509 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.847 0.480 -7.585 1.00 0.45 H new ATOM 1143 N LEU A 77 7.934 0.589 -4.816 1.00 0.32 N ATOM 1144 CA LEU A 77 8.677 1.409 -3.878 1.00 0.36 C ATOM 1145 C LEU A 77 9.237 0.562 -2.756 1.00 0.34 C ATOM 1146 O LEU A 77 10.410 0.688 -2.414 1.00 0.40 O ATOM 1147 CB LEU A 77 7.808 2.577 -3.340 1.00 0.41 C ATOM 1148 CG LEU A 77 8.504 3.658 -2.462 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.789 3.182 -1.042 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.792 4.127 -3.127 1.00 1.35 C ATOM 0 H LEU A 77 6.938 0.801 -4.875 1.00 0.32 H new ATOM 0 HA LEU A 77 9.519 1.856 -4.407 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.357 3.080 -4.195 1.00 0.41 H new ATOM 0 HB3 LEU A 77 6.993 2.147 -2.758 1.00 0.41 H new ATOM 0 HG LEU A 77 7.806 4.491 -2.380 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.274 3.981 -0.481 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.852 2.913 -0.554 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.444 2.311 -1.075 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.269 4.883 -2.503 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.467 3.280 -3.251 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.563 4.554 -4.103 1.00 1.35 H new ATOM 1162 N ILE A 78 8.423 -0.325 -2.218 1.00 0.30 N ATOM 1163 CA ILE A 78 8.855 -1.152 -1.110 1.00 0.32 C ATOM 1164 C ILE A 78 9.967 -2.078 -1.570 1.00 0.33 C ATOM 1165 O ILE A 78 10.976 -2.204 -0.900 1.00 0.39 O ATOM 1166 CB ILE A 78 7.689 -1.976 -0.493 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.556 -1.047 -0.017 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.190 -2.837 0.673 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.965 -0.024 1.031 1.00 0.42 C ATOM 0 H ILE A 78 7.465 -0.491 -2.528 1.00 0.30 H new ATOM 0 HA ILE A 78 9.223 -0.489 -0.327 1.00 0.32 H new ATOM 0 HB ILE A 78 7.296 -2.634 -1.268 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.152 -0.519 -0.881 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.750 -1.659 0.389 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.358 -3.405 1.090 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.956 -3.525 0.315 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.613 -2.194 1.445 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.102 0.583 1.303 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.340 -0.539 1.915 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.747 0.618 0.627 1.00 0.42 H new ATOM 1181 N ASN A 79 9.804 -2.675 -2.740 1.00 0.33 N ATOM 1182 CA ASN A 79 10.832 -3.567 -3.289 1.00 0.38 C ATOM 1183 C ASN A 79 12.125 -2.818 -3.543 1.00 0.38 C ATOM 1184 O ASN A 79 13.220 -3.347 -3.302 1.00 0.42 O ATOM 1185 CB ASN A 79 10.383 -4.271 -4.580 1.00 0.46 C ATOM 1186 CG ASN A 79 9.207 -5.190 -4.378 1.00 0.57 C ATOM 1187 OD1 ASN A 79 8.984 -5.681 -3.284 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.499 -5.492 -5.429 1.00 0.82 N ATOM 0 H ASN A 79 8.979 -2.564 -3.329 1.00 0.33 H new ATOM 0 HA ASN A 79 10.998 -4.335 -2.534 1.00 0.38 H new ATOM 0 HB2 ASN A 79 10.124 -3.519 -5.325 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.218 -4.844 -4.983 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.730 -6.158 -5.352 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.713 -5.062 -6.329 1.00 0.82 H new ATOM 1195 N GLY A 80 12.006 -1.586 -4.007 1.00 0.38 N ATOM 1196 CA GLY A 80 13.169 -0.766 -4.252 1.00 0.46 C ATOM 1197 C GLY A 80 13.851 -0.401 -2.957 1.00 0.50 C ATOM 1198 O GLY A 80 15.074 -0.456 -2.849 1.00 0.62 O ATOM 0 H GLY A 80 11.115 -1.136 -4.220 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.866 -1.300 -4.897 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.875 0.140 -4.781 1.00 0.46 H new ATOM 1202 N ALA A 81 13.049 -0.102 -1.959 1.00 0.47 N ATOM 1203 CA ALA A 81 13.541 0.279 -0.659 1.00 0.57 C ATOM 1204 C ALA A 81 14.173 -0.910 0.053 1.00 0.62 C ATOM 1205 O ALA A 81 15.197 -0.763 0.687 1.00 0.80 O ATOM 1206 CB ALA A 81 12.420 0.870 0.174 1.00 0.59 C ATOM 0 H ALA A 81 12.032 -0.117 -2.030 1.00 0.47 H new ATOM 0 HA ALA A 81 14.312 1.038 -0.792 1.00 0.57 H new ATOM 0 HB1 ALA A 81 12.805 1.154 1.153 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.020 1.751 -0.327 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.628 0.131 0.296 1.00 0.59 H new ATOM 1212 N LEU A 82 13.571 -2.086 -0.079 1.00 0.54 N ATOM 1213 CA LEU A 82 14.114 -3.309 0.523 1.00 0.61 C ATOM 1214 C LEU A 82 15.461 -3.648 -0.086 1.00 0.74 C ATOM 1215 O LEU A 82 16.397 -3.990 0.618 1.00 0.89 O ATOM 1216 CB LEU A 82 13.159 -4.502 0.348 1.00 0.54 C ATOM 1217 CG LEU A 82 11.799 -4.401 1.040 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.971 -5.638 0.764 1.00 0.63 C ATOM 1219 CD2 LEU A 82 11.966 -4.200 2.535 1.00 0.68 C ATOM 0 H LEU A 82 12.704 -2.224 -0.598 1.00 0.54 H new ATOM 0 HA LEU A 82 14.232 -3.118 1.590 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.988 -4.647 -0.719 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.662 -5.397 0.715 1.00 0.54 H new ATOM 0 HG LEU A 82 11.277 -3.534 0.636 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.007 -5.549 1.264 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.815 -5.739 -0.310 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.495 -6.517 1.139 1.00 0.63 H new ATOM 0 HD21 LEU A 82 10.985 -4.131 3.005 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.512 -5.044 2.957 1.00 0.68 H new ATOM 0 HD23 LEU A 82 12.522 -3.280 2.719 1.00 0.68 H new