USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 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 Single : A 6 THR OG1 : rot 137:sc= 1.24 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 17 SER OG : rot 179:sc= 1.21 USER MOD Single : A 40 TYR OH : rot -91:sc= 1.29 USER MOD Single : A 42 SER OG : rot 180:sc= -0.216 USER MOD Single : A 46 MET CE :methyl 154:sc= -0.313 (180deg=-1.29) USER MOD Single : A 48 THR OG1 : rot 160:sc= 0 USER MOD Single : A 54 SER OG : rot -96:sc= 1.28 USER MOD Single : A 56 TYR OH : rot -27:sc= -1.21! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -47:sc= -0.0943 USER MOD Single : A 79 ASN : amide:sc= -1.4 K(o=-1.4,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -11.059 -9.930 1.190 1.00 0.86 N ATOM 45 CA LEU A 4 -10.158 -8.998 1.856 1.00 0.72 C ATOM 46 C LEU A 4 -8.713 -9.425 1.687 1.00 0.67 C ATOM 47 O LEU A 4 -8.343 -10.537 2.072 1.00 0.83 O ATOM 48 CB LEU A 4 -10.476 -8.854 3.375 1.00 0.71 C ATOM 49 CG LEU A 4 -11.664 -7.956 3.793 1.00 0.87 C ATOM 50 CD1 LEU A 4 -11.433 -6.517 3.368 1.00 0.80 C ATOM 51 CD2 LEU A 4 -12.982 -8.464 3.266 1.00 1.75 C ATOM 0 HA LEU A 4 -10.311 -8.029 1.381 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -10.658 -9.852 3.773 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.581 -8.473 3.867 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.720 -7.993 4.881 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -12.283 -5.906 3.674 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -10.526 -6.139 3.840 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -11.324 -6.471 2.284 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -13.783 -7.798 3.587 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -12.951 -8.495 2.177 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -13.166 -9.466 3.652 1.00 1.75 H new ATOM 63 N LEU A 5 -7.935 -8.563 1.062 1.00 0.55 N ATOM 64 CA LEU A 5 -6.490 -8.750 0.923 1.00 0.51 C ATOM 65 C LEU A 5 -5.830 -8.797 2.301 1.00 0.46 C ATOM 66 O LEU A 5 -6.228 -8.057 3.219 1.00 0.50 O ATOM 67 CB LEU A 5 -5.823 -7.611 0.086 1.00 0.53 C ATOM 68 CG LEU A 5 -5.809 -6.168 0.669 1.00 0.62 C ATOM 69 CD1 LEU A 5 -4.779 -5.314 -0.045 1.00 0.66 C ATOM 70 CD2 LEU A 5 -7.172 -5.493 0.555 1.00 0.95 C ATOM 0 H LEU A 5 -8.282 -7.706 0.631 1.00 0.55 H new ATOM 0 HA LEU A 5 -6.343 -9.693 0.397 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -4.790 -7.901 -0.104 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.326 -7.573 -0.880 1.00 0.53 H new ATOM 0 HG LEU A 5 -5.553 -6.258 1.725 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -4.784 -4.309 0.377 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -3.790 -5.755 0.081 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -5.021 -5.263 -1.107 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -7.117 -4.488 0.974 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -7.462 -5.433 -0.494 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -7.913 -6.074 1.104 1.00 0.95 H new ATOM 82 N THR A 6 -4.869 -9.674 2.456 1.00 0.47 N ATOM 83 CA THR A 6 -4.145 -9.763 3.683 1.00 0.49 C ATOM 84 C THR A 6 -2.880 -8.904 3.587 1.00 0.40 C ATOM 85 O THR A 6 -2.670 -8.196 2.578 1.00 0.38 O ATOM 86 CB THR A 6 -3.773 -11.223 4.039 1.00 0.70 C ATOM 87 OG1 THR A 6 -2.914 -11.777 3.012 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.035 -12.078 4.159 1.00 0.93 C ATOM 0 H THR A 6 -4.575 -10.336 1.738 1.00 0.47 H new ATOM 0 HA THR A 6 -4.789 -9.394 4.481 1.00 0.49 H new ATOM 0 HB THR A 6 -3.248 -11.225 4.994 1.00 0.70 H new ATOM 0 HG1 THR A 6 -2.184 -12.278 3.432 1.00 0.82 H new ATOM 0 HG21 THR A 6 -4.758 -13.102 4.410 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.676 -11.673 4.942 1.00 0.93 H new ATOM 0 HG23 THR A 6 -5.572 -12.069 3.211 1.00 0.93 H new ATOM 96 N THR A 7 -2.033 -9.001 4.586 1.00 0.44 N ATOM 97 CA THR A 7 -0.791 -8.291 4.624 1.00 0.42 C ATOM 98 C THR A 7 0.155 -8.853 3.544 1.00 0.37 C ATOM 99 O THR A 7 1.020 -8.154 3.011 1.00 0.39 O ATOM 100 CB THR A 7 -0.139 -8.509 5.998 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.157 -8.435 7.022 1.00 0.58 O ATOM 102 CG2 THR A 7 0.909 -7.440 6.263 1.00 0.54 C ATOM 0 H THR A 7 -2.197 -9.587 5.405 1.00 0.44 H new ATOM 0 HA THR A 7 -0.971 -7.231 4.447 1.00 0.42 H new ATOM 0 HB THR A 7 0.341 -9.488 6.011 1.00 0.50 H new ATOM 0 HG1 THR A 7 -0.747 -8.575 7.901 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.362 -7.608 7.240 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.679 -7.487 5.493 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.438 -6.457 6.246 1.00 0.54 H new ATOM 110 N ASP A 8 -0.070 -10.111 3.208 1.00 0.41 N ATOM 111 CA ASP A 8 0.757 -10.859 2.262 1.00 0.46 C ATOM 112 C ASP A 8 0.556 -10.345 0.862 1.00 0.42 C ATOM 113 O ASP A 8 1.491 -10.294 0.064 1.00 0.47 O ATOM 114 CB ASP A 8 0.404 -12.356 2.297 1.00 0.62 C ATOM 115 CG ASP A 8 0.342 -12.890 3.700 1.00 1.41 C ATOM 116 OD1 ASP A 8 -0.752 -12.830 4.287 1.00 2.01 O ATOM 117 OD2 ASP A 8 1.394 -13.331 4.249 1.00 1.98 O ATOM 0 H ASP A 8 -0.844 -10.656 3.588 1.00 0.41 H new ATOM 0 HA ASP A 8 1.798 -10.724 2.554 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.557 -12.513 1.807 1.00 0.62 H new ATOM 0 HB3 ASP A 8 1.147 -12.916 1.729 1.00 0.62 H new ATOM 122 N ASP A 9 -0.663 -9.950 0.567 1.00 0.41 N ATOM 123 CA ASP A 9 -0.989 -9.458 -0.767 1.00 0.46 C ATOM 124 C ASP A 9 -0.381 -8.080 -0.939 1.00 0.40 C ATOM 125 O ASP A 9 0.253 -7.790 -1.955 1.00 0.46 O ATOM 126 CB ASP A 9 -2.494 -9.407 -0.996 1.00 0.54 C ATOM 127 CG ASP A 9 -2.832 -9.200 -2.456 1.00 0.98 C ATOM 128 OD1 ASP A 9 -2.585 -10.102 -3.278 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.361 -8.098 -2.793 1.00 1.83 O ATOM 0 H ASP A 9 -1.444 -9.957 1.223 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.576 -10.145 -1.506 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -2.947 -10.335 -0.646 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.925 -8.599 -0.405 1.00 0.54 H new ATOM 134 N LEU A 10 -0.520 -7.267 0.110 1.00 0.36 N ATOM 135 CA LEU A 10 0.067 -5.924 0.178 1.00 0.35 C ATOM 136 C LEU A 10 1.600 -6.010 0.026 1.00 0.33 C ATOM 137 O LEU A 10 2.210 -5.206 -0.678 1.00 0.36 O ATOM 138 CB LEU A 10 -0.301 -5.282 1.523 1.00 0.37 C ATOM 139 CG LEU A 10 0.212 -3.859 1.797 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.356 -2.879 0.783 1.00 0.51 C ATOM 141 CD2 LEU A 10 -0.157 -3.432 3.208 1.00 0.48 C ATOM 0 H LEU A 10 -1.048 -7.523 0.945 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.325 -5.311 -0.633 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.388 -5.268 1.602 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.068 -5.931 2.317 1.00 0.37 H new ATOM 0 HG LEU A 10 1.298 -3.859 1.702 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.019 -1.878 0.995 1.00 0.51 H new ATOM 0 HD12 LEU A 10 -0.051 -3.176 -0.220 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.444 -2.879 0.847 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.211 -2.423 3.391 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -1.241 -3.449 3.321 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.293 -4.118 3.925 1.00 0.48 H new ATOM 153 N ARG A 11 2.187 -7.015 0.685 1.00 0.33 N ATOM 154 CA ARG A 11 3.618 -7.312 0.612 1.00 0.37 C ATOM 155 C ARG A 11 4.056 -7.473 -0.842 1.00 0.39 C ATOM 156 O ARG A 11 5.067 -6.915 -1.257 1.00 0.45 O ATOM 157 CB ARG A 11 3.928 -8.612 1.404 1.00 0.45 C ATOM 158 CG ARG A 11 5.379 -9.107 1.343 1.00 0.72 C ATOM 159 CD ARG A 11 5.537 -10.453 2.063 1.00 0.63 C ATOM 160 NE ARG A 11 5.313 -10.357 3.521 1.00 1.12 N ATOM 161 CZ ARG A 11 4.367 -11.018 4.224 1.00 1.36 C ATOM 162 NH1 ARG A 11 3.627 -11.954 3.633 1.00 1.47 N ATOM 163 NH2 ARG A 11 4.236 -10.790 5.538 1.00 2.27 N ATOM 0 H ARG A 11 1.672 -7.653 1.292 1.00 0.33 H new ATOM 0 HA ARG A 11 4.170 -6.482 1.053 1.00 0.37 H new ATOM 0 HB2 ARG A 11 3.664 -8.449 2.449 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.279 -9.404 1.031 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.688 -9.210 0.303 1.00 0.72 H new ATOM 0 HG3 ARG A 11 6.038 -8.368 1.799 1.00 0.72 H new ATOM 0 HD2 ARG A 11 4.834 -11.170 1.639 1.00 0.63 H new ATOM 0 HD3 ARG A 11 6.539 -10.842 1.880 1.00 0.63 H new ATOM 0 HE ARG A 11 5.929 -9.735 4.044 1.00 1.12 H new ATOM 0 HH11 ARG A 11 3.774 -12.173 2.648 1.00 1.47 H new ATOM 0 HH12 ARG A 11 2.914 -12.452 4.166 1.00 1.47 H new ATOM 0 HH21 ARG A 11 4.849 -10.120 6.003 1.00 2.27 H new ATOM 0 HH22 ARG A 11 3.524 -11.286 6.073 1.00 2.27 H new ATOM 177 N ARG A 12 3.270 -8.203 -1.605 1.00 0.40 N ATOM 178 CA ARG A 12 3.578 -8.446 -2.999 1.00 0.48 C ATOM 179 C ARG A 12 3.382 -7.189 -3.831 1.00 0.47 C ATOM 180 O ARG A 12 4.254 -6.817 -4.607 1.00 0.50 O ATOM 181 CB ARG A 12 2.721 -9.581 -3.562 1.00 0.56 C ATOM 182 CG ARG A 12 2.928 -10.925 -2.872 1.00 0.94 C ATOM 183 CD ARG A 12 2.141 -12.041 -3.550 1.00 1.18 C ATOM 184 NE ARG A 12 0.677 -11.822 -3.575 1.00 1.76 N ATOM 185 CZ ARG A 12 -0.221 -12.772 -3.892 1.00 2.29 C ATOM 186 NH1 ARG A 12 0.190 -14.008 -4.197 1.00 2.31 N ATOM 187 NH2 ARG A 12 -1.517 -12.497 -3.901 1.00 3.30 N ATOM 0 H ARG A 12 2.408 -8.641 -1.281 1.00 0.40 H new ATOM 0 HA ARG A 12 4.626 -8.740 -3.054 1.00 0.48 H new ATOM 0 HB2 ARG A 12 1.670 -9.302 -3.481 1.00 0.56 H new ATOM 0 HB3 ARG A 12 2.940 -9.693 -4.624 1.00 0.56 H new ATOM 0 HG2 ARG A 12 3.989 -11.175 -2.876 1.00 0.94 H new ATOM 0 HG3 ARG A 12 2.623 -10.848 -1.829 1.00 0.94 H new ATOM 0 HD2 ARG A 12 2.498 -12.152 -4.574 1.00 1.18 H new ATOM 0 HD3 ARG A 12 2.348 -12.980 -3.037 1.00 1.18 H new ATOM 0 HE ARG A 12 0.328 -10.894 -3.337 1.00 1.76 H new ATOM 0 HH11 ARG A 12 1.185 -14.231 -4.189 1.00 2.31 H new ATOM 0 HH12 ARG A 12 -0.492 -14.727 -4.437 1.00 2.31 H new ATOM 0 HH21 ARG A 12 -1.841 -11.559 -3.666 1.00 3.30 H new ATOM 0 HH22 ARG A 12 -2.191 -13.224 -4.143 1.00 3.30 H new ATOM 201 N ALA A 13 2.251 -6.524 -3.628 1.00 0.47 N ATOM 202 CA ALA A 13 1.903 -5.319 -4.383 1.00 0.53 C ATOM 203 C ALA A 13 2.924 -4.194 -4.188 1.00 0.46 C ATOM 204 O ALA A 13 3.140 -3.376 -5.082 1.00 0.48 O ATOM 205 CB ALA A 13 0.513 -4.833 -4.008 1.00 0.63 C ATOM 0 H ALA A 13 1.550 -6.800 -2.940 1.00 0.47 H new ATOM 0 HA ALA A 13 1.915 -5.593 -5.438 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.274 -3.937 -4.580 1.00 0.63 H new ATOM 0 HB2 ALA A 13 -0.217 -5.611 -4.231 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.483 -4.602 -2.943 1.00 0.63 H new ATOM 211 N LEU A 14 3.546 -4.163 -3.027 1.00 0.42 N ATOM 212 CA LEU A 14 4.538 -3.160 -2.721 1.00 0.39 C ATOM 213 C LEU A 14 5.826 -3.387 -3.540 1.00 0.40 C ATOM 214 O LEU A 14 6.438 -2.442 -4.020 1.00 0.46 O ATOM 215 CB LEU A 14 4.838 -3.157 -1.214 1.00 0.45 C ATOM 216 CG LEU A 14 5.751 -2.033 -0.685 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.134 -0.645 -0.907 1.00 0.44 C ATOM 218 CD2 LEU A 14 6.038 -2.252 0.785 1.00 1.00 C ATOM 0 H LEU A 14 3.377 -4.830 -2.274 1.00 0.42 H new ATOM 0 HA LEU A 14 4.140 -2.184 -2.998 1.00 0.39 H new ATOM 0 HB2 LEU A 14 3.889 -3.103 -0.680 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.294 -4.113 -0.957 1.00 0.45 H new ATOM 0 HG LEU A 14 6.685 -2.068 -1.246 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.808 0.119 -0.520 1.00 0.44 H new ATOM 0 HD12 LEU A 14 4.976 -0.483 -1.973 1.00 0.44 H new ATOM 0 HD13 LEU A 14 4.179 -0.584 -0.385 1.00 0.44 H new ATOM 0 HD21 LEU A 14 6.684 -1.454 1.152 1.00 1.00 H new ATOM 0 HD22 LEU A 14 5.102 -2.247 1.343 1.00 1.00 H new ATOM 0 HD23 LEU A 14 6.536 -3.212 0.919 1.00 1.00 H new ATOM 230 N VAL A 15 6.183 -4.643 -3.746 1.00 0.44 N ATOM 231 CA VAL A 15 7.411 -4.996 -4.476 1.00 0.53 C ATOM 232 C VAL A 15 7.254 -4.743 -5.988 1.00 0.55 C ATOM 233 O VAL A 15 8.231 -4.478 -6.693 1.00 0.64 O ATOM 234 CB VAL A 15 7.833 -6.478 -4.212 1.00 0.61 C ATOM 235 CG1 VAL A 15 9.120 -6.851 -4.952 1.00 0.74 C ATOM 236 CG2 VAL A 15 7.999 -6.732 -2.726 1.00 0.64 C ATOM 0 H VAL A 15 5.644 -5.446 -3.421 1.00 0.44 H new ATOM 0 HA VAL A 15 8.204 -4.349 -4.100 1.00 0.53 H new ATOM 0 HB VAL A 15 7.033 -7.110 -4.597 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.374 -7.889 -4.739 1.00 0.74 H new ATOM 0 HG12 VAL A 15 8.972 -6.727 -6.025 1.00 0.74 H new ATOM 0 HG13 VAL A 15 9.931 -6.203 -4.620 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.293 -7.769 -2.565 1.00 0.64 H new ATOM 0 HG22 VAL A 15 8.768 -6.071 -2.328 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.055 -6.539 -2.216 1.00 0.64 H new ATOM 246 N GLU A 16 6.012 -4.767 -6.454 1.00 0.59 N ATOM 247 CA GLU A 16 5.681 -4.550 -7.883 1.00 0.69 C ATOM 248 C GLU A 16 6.152 -3.184 -8.388 1.00 0.65 C ATOM 249 O GLU A 16 6.464 -3.025 -9.563 1.00 0.77 O ATOM 250 CB GLU A 16 4.167 -4.678 -8.096 1.00 0.89 C ATOM 251 CG GLU A 16 3.604 -6.056 -7.820 1.00 1.11 C ATOM 252 CD GLU A 16 4.017 -7.082 -8.846 1.00 1.54 C ATOM 253 OE1 GLU A 16 5.144 -7.585 -8.785 1.00 1.95 O ATOM 254 OE2 GLU A 16 3.191 -7.405 -9.748 1.00 2.18 O ATOM 0 H GLU A 16 5.197 -4.936 -5.865 1.00 0.59 H new ATOM 0 HA GLU A 16 6.207 -5.315 -8.454 1.00 0.69 H new ATOM 0 HB2 GLU A 16 3.661 -3.958 -7.453 1.00 0.89 H new ATOM 0 HB3 GLU A 16 3.934 -4.405 -9.125 1.00 0.89 H new ATOM 0 HG2 GLU A 16 3.932 -6.385 -6.834 1.00 1.11 H new ATOM 0 HG3 GLU A 16 2.516 -5.998 -7.791 1.00 1.11 H new ATOM 261 N SER A 17 6.209 -2.214 -7.490 1.00 0.59 N ATOM 262 CA SER A 17 6.576 -0.852 -7.839 1.00 0.64 C ATOM 263 C SER A 17 8.081 -0.745 -8.204 1.00 0.74 C ATOM 264 O SER A 17 8.438 -0.375 -9.321 1.00 1.04 O ATOM 265 CB SER A 17 6.213 0.087 -6.673 1.00 0.68 C ATOM 266 OG SER A 17 6.488 1.432 -6.971 1.00 1.27 O ATOM 0 H SER A 17 6.002 -2.349 -6.500 1.00 0.59 H new ATOM 0 HA SER A 17 6.016 -0.551 -8.725 1.00 0.64 H new ATOM 0 HB2 SER A 17 5.155 -0.022 -6.437 1.00 0.68 H new ATOM 0 HB3 SER A 17 6.770 -0.208 -5.784 1.00 0.68 H new ATOM 0 HG SER A 17 6.226 1.995 -6.213 1.00 1.27 H new ATOM 272 N ALA A 18 8.959 -1.129 -7.282 1.00 0.70 N ATOM 273 CA ALA A 18 10.404 -0.998 -7.489 1.00 0.87 C ATOM 274 C ALA A 18 10.999 -2.239 -8.144 1.00 1.05 C ATOM 275 O ALA A 18 12.220 -2.385 -8.236 1.00 1.57 O ATOM 276 CB ALA A 18 11.098 -0.711 -6.164 1.00 0.95 C ATOM 0 H ALA A 18 8.698 -1.534 -6.383 1.00 0.70 H new ATOM 0 HA ALA A 18 10.568 -0.162 -8.169 1.00 0.87 H new ATOM 0 HB1 ALA A 18 12.171 -0.615 -6.329 1.00 0.95 H new ATOM 0 HB2 ALA A 18 10.711 0.218 -5.744 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.909 -1.530 -5.469 1.00 0.95 H new ATOM 400 N ASP A 29 6.420 -8.110 9.001 1.00 0.90 N ATOM 401 CA ASP A 29 5.952 -6.983 9.821 1.00 0.83 C ATOM 402 C ASP A 29 6.457 -5.591 9.404 1.00 0.79 C ATOM 403 O ASP A 29 6.955 -4.817 10.208 1.00 1.33 O ATOM 404 CB ASP A 29 6.163 -7.269 11.315 1.00 1.20 C ATOM 405 CG ASP A 29 5.304 -8.437 11.805 1.00 1.95 C ATOM 406 OD1 ASP A 29 5.721 -9.618 11.671 1.00 2.44 O ATOM 407 OD2 ASP A 29 4.206 -8.196 12.334 1.00 2.68 O ATOM 0 HA ASP A 29 4.882 -6.918 9.624 1.00 0.83 H new ATOM 0 HB2 ASP A 29 7.214 -7.492 11.496 1.00 1.20 H new ATOM 0 HB3 ASP A 29 5.923 -6.376 11.892 1.00 1.20 H new ATOM 412 N PHE A 30 6.234 -5.257 8.146 1.00 0.42 N ATOM 413 CA PHE A 30 6.602 -3.958 7.597 1.00 0.36 C ATOM 414 C PHE A 30 5.502 -2.938 7.860 1.00 0.32 C ATOM 415 O PHE A 30 5.555 -1.830 7.390 1.00 0.35 O ATOM 416 CB PHE A 30 6.854 -4.073 6.083 1.00 0.37 C ATOM 417 CG PHE A 30 5.640 -4.553 5.296 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.387 -5.909 5.143 1.00 0.40 C ATOM 419 CD2 PHE A 30 4.759 -3.649 4.711 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.289 -6.352 4.443 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.653 -4.093 4.008 1.00 0.42 C ATOM 422 CZ PHE A 30 3.420 -5.442 3.879 1.00 0.46 C ATOM 0 H PHE A 30 5.791 -5.880 7.471 1.00 0.42 H new ATOM 0 HA PHE A 30 7.517 -3.624 8.087 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.163 -3.101 5.700 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.682 -4.761 5.912 1.00 0.37 H new ATOM 0 HD1 PHE A 30 6.063 -6.628 5.581 1.00 0.40 H new ATOM 0 HD2 PHE A 30 4.940 -2.589 4.807 1.00 0.38 H new ATOM 0 HE1 PHE A 30 4.108 -7.411 4.335 1.00 0.46 H new ATOM 0 HE2 PHE A 30 2.974 -3.381 3.562 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.554 -5.790 3.335 1.00 0.46 H new ATOM 432 N LEU A 31 4.531 -3.334 8.646 1.00 0.35 N ATOM 433 CA LEU A 31 3.381 -2.501 8.938 1.00 0.36 C ATOM 434 C LEU A 31 3.757 -1.353 9.858 1.00 0.39 C ATOM 435 O LEU A 31 3.190 -0.269 9.769 1.00 0.46 O ATOM 436 CB LEU A 31 2.269 -3.350 9.541 1.00 0.40 C ATOM 437 CG LEU A 31 1.758 -4.467 8.629 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.715 -5.294 9.328 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.184 -3.875 7.343 1.00 0.38 C ATOM 0 H LEU A 31 4.512 -4.245 9.105 1.00 0.35 H new ATOM 0 HA LEU A 31 3.019 -2.064 8.007 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.630 -3.793 10.469 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.434 -2.700 9.801 1.00 0.40 H new ATOM 0 HG LEU A 31 2.598 -5.115 8.379 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.367 -6.082 8.660 1.00 0.45 H new ATOM 0 HD12 LEU A 31 1.146 -5.742 10.223 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.125 -4.659 9.609 1.00 0.45 H new ATOM 0 HD21 LEU A 31 0.823 -4.679 6.702 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.358 -3.207 7.587 1.00 0.38 H new ATOM 0 HD23 LEU A 31 1.961 -3.316 6.822 1.00 0.38 H new ATOM 451 N ASP A 32 4.730 -1.591 10.713 1.00 0.43 N ATOM 452 CA ASP A 32 5.255 -0.560 11.619 1.00 0.52 C ATOM 453 C ASP A 32 6.559 0.010 11.072 1.00 0.50 C ATOM 454 O ASP A 32 7.235 0.817 11.714 1.00 0.66 O ATOM 455 CB ASP A 32 5.443 -1.103 13.041 1.00 0.69 C ATOM 456 CG ASP A 32 4.162 -1.072 13.859 1.00 1.46 C ATOM 457 OD1 ASP A 32 3.148 -1.653 13.400 1.00 2.20 O ATOM 458 OD2 ASP A 32 4.151 -0.521 14.978 1.00 1.95 O ATOM 0 H ASP A 32 5.186 -2.498 10.809 1.00 0.43 H new ATOM 0 HA ASP A 32 4.522 0.245 11.676 1.00 0.52 H new ATOM 0 HB2 ASP A 32 5.810 -2.128 12.988 1.00 0.69 H new ATOM 0 HB3 ASP A 32 6.208 -0.517 13.550 1.00 0.69 H new ATOM 463 N LEU A 33 6.883 -0.420 9.873 1.00 0.42 N ATOM 464 CA LEU A 33 8.021 0.062 9.131 1.00 0.50 C ATOM 465 C LEU A 33 7.564 1.262 8.327 1.00 0.45 C ATOM 466 O LEU A 33 6.498 1.245 7.757 1.00 0.57 O ATOM 467 CB LEU A 33 8.580 -1.052 8.218 1.00 0.66 C ATOM 468 CG LEU A 33 9.494 -2.097 8.872 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.953 -3.103 7.837 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.708 -1.437 9.502 1.00 1.18 C ATOM 0 H LEU A 33 6.348 -1.132 9.377 1.00 0.42 H new ATOM 0 HA LEU A 33 8.828 0.354 9.803 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.737 -1.575 7.767 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.133 -0.579 7.407 1.00 0.66 H new ATOM 0 HG LEU A 33 8.925 -2.604 9.652 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.601 -3.841 8.309 1.00 1.52 H new ATOM 0 HD12 LEU A 33 9.086 -3.604 7.407 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.503 -2.589 7.049 1.00 1.52 H new ATOM 0 HD21 LEU A 33 11.340 -2.199 9.959 1.00 1.18 H new ATOM 0 HD22 LEU A 33 11.274 -0.908 8.735 1.00 1.18 H new ATOM 0 HD23 LEU A 33 10.383 -0.730 10.265 1.00 1.18 H new ATOM 482 N ARG A 34 8.345 2.292 8.308 1.00 0.43 N ATOM 483 CA ARG A 34 7.935 3.519 7.646 1.00 0.42 C ATOM 484 C ARG A 34 8.170 3.401 6.147 1.00 0.36 C ATOM 485 O ARG A 34 9.079 2.697 5.720 1.00 0.45 O ATOM 486 CB ARG A 34 8.710 4.708 8.205 1.00 0.58 C ATOM 487 CG ARG A 34 8.629 4.848 9.730 1.00 0.77 C ATOM 488 CD ARG A 34 9.524 5.982 10.221 1.00 1.08 C ATOM 489 NE ARG A 34 10.909 5.782 9.768 1.00 1.82 N ATOM 490 CZ ARG A 34 11.621 6.652 9.029 1.00 2.41 C ATOM 491 NH1 ARG A 34 11.175 7.888 8.794 1.00 2.43 N ATOM 492 NH2 ARG A 34 12.795 6.293 8.546 1.00 3.44 N ATOM 0 H ARG A 34 9.270 2.324 8.737 1.00 0.43 H new ATOM 0 HA ARG A 34 6.873 3.679 7.829 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.756 4.615 7.915 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.332 5.622 7.747 1.00 0.58 H new ATOM 0 HG2 ARG A 34 7.598 5.038 10.027 1.00 0.77 H new ATOM 0 HG3 ARG A 34 8.929 3.912 10.202 1.00 0.77 H new ATOM 0 HD2 ARG A 34 9.148 6.936 9.850 1.00 1.08 H new ATOM 0 HD3 ARG A 34 9.495 6.030 11.310 1.00 1.08 H new ATOM 0 HE ARG A 34 11.368 4.911 10.036 1.00 1.82 H new ATOM 0 HH11 ARG A 34 10.279 8.188 9.177 1.00 2.43 H new ATOM 0 HH12 ARG A 34 11.730 8.532 8.231 1.00 2.43 H new ATOM 0 HH21 ARG A 34 13.160 5.359 8.733 1.00 3.44 H new ATOM 0 HH22 ARG A 34 13.338 6.949 7.985 1.00 3.44 H new ATOM 506 N PHE A 35 7.366 4.097 5.353 1.00 0.33 N ATOM 507 CA PHE A 35 7.516 4.064 3.881 1.00 0.33 C ATOM 508 C PHE A 35 8.891 4.567 3.466 1.00 0.38 C ATOM 509 O PHE A 35 9.599 3.922 2.694 1.00 0.43 O ATOM 510 CB PHE A 35 6.434 4.896 3.207 1.00 0.34 C ATOM 511 CG PHE A 35 5.028 4.432 3.492 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.513 3.306 2.872 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.222 5.122 4.383 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.232 2.881 3.134 1.00 0.50 C ATOM 515 CE2 PHE A 35 2.937 4.697 4.647 1.00 0.48 C ATOM 516 CZ PHE A 35 2.441 3.578 4.022 1.00 0.51 C ATOM 0 H PHE A 35 6.606 4.690 5.688 1.00 0.33 H new ATOM 0 HA PHE A 35 7.411 3.028 3.559 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.535 5.932 3.530 1.00 0.34 H new ATOM 0 HB3 PHE A 35 6.598 4.880 2.130 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.125 2.755 2.174 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.605 6.003 4.877 1.00 0.40 H new ATOM 0 HE1 PHE A 35 2.845 2.000 2.644 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.320 5.244 5.345 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.434 3.246 4.226 1.00 0.51 H new ATOM 526 N GLU A 36 9.266 5.713 4.027 1.00 0.48 N ATOM 527 CA GLU A 36 10.586 6.326 3.819 1.00 0.62 C ATOM 528 C GLU A 36 11.699 5.323 4.154 1.00 0.63 C ATOM 529 O GLU A 36 12.702 5.210 3.461 1.00 0.72 O ATOM 530 CB GLU A 36 10.712 7.499 4.794 1.00 0.83 C ATOM 531 CG GLU A 36 12.056 8.205 4.753 1.00 1.40 C ATOM 532 CD GLU A 36 12.343 8.908 6.036 1.00 1.83 C ATOM 533 OE1 GLU A 36 11.734 9.994 6.285 1.00 1.89 O ATOM 534 OE2 GLU A 36 13.202 8.449 6.794 1.00 2.73 O ATOM 0 H GLU A 36 8.660 6.252 4.646 1.00 0.48 H new ATOM 0 HA GLU A 36 10.680 6.643 2.780 1.00 0.62 H new ATOM 0 HB2 GLU A 36 9.928 8.224 4.576 1.00 0.83 H new ATOM 0 HB3 GLU A 36 10.537 7.135 5.806 1.00 0.83 H new ATOM 0 HG2 GLU A 36 12.843 7.479 4.551 1.00 1.40 H new ATOM 0 HG3 GLU A 36 12.066 8.923 3.933 1.00 1.40 H new ATOM 541 N ASP A 37 11.448 4.565 5.203 1.00 0.61 N ATOM 542 CA ASP A 37 12.412 3.663 5.799 1.00 0.70 C ATOM 543 C ASP A 37 12.717 2.510 4.844 1.00 0.69 C ATOM 544 O ASP A 37 13.847 2.032 4.762 1.00 0.82 O ATOM 545 CB ASP A 37 11.816 3.148 7.106 1.00 0.77 C ATOM 546 CG ASP A 37 12.825 2.727 8.129 1.00 0.98 C ATOM 547 OD1 ASP A 37 13.352 3.560 8.854 1.00 1.27 O ATOM 548 OD2 ASP A 37 13.166 1.516 8.154 1.00 1.36 O ATOM 0 H ASP A 37 10.544 4.560 5.676 1.00 0.61 H new ATOM 0 HA ASP A 37 13.352 4.178 5.997 1.00 0.70 H new ATOM 0 HB2 ASP A 37 11.187 3.928 7.535 1.00 0.77 H new ATOM 0 HB3 ASP A 37 11.167 2.301 6.885 1.00 0.77 H new ATOM 553 N ILE A 38 11.705 2.112 4.082 1.00 0.59 N ATOM 554 CA ILE A 38 11.839 1.026 3.113 1.00 0.63 C ATOM 555 C ILE A 38 12.097 1.529 1.683 1.00 0.63 C ATOM 556 O ILE A 38 11.987 0.763 0.722 1.00 0.66 O ATOM 557 CB ILE A 38 10.641 0.031 3.135 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.305 0.774 2.992 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.656 -0.811 4.398 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.088 -0.125 2.986 1.00 0.54 C ATOM 0 H ILE A 38 10.774 2.528 4.116 1.00 0.59 H new ATOM 0 HA ILE A 38 12.723 0.476 3.436 1.00 0.63 H new ATOM 0 HB ILE A 38 10.748 -0.638 2.281 1.00 0.59 H new ATOM 0 HG12 ILE A 38 9.211 1.488 3.810 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.321 1.350 2.067 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.809 -1.497 4.388 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.584 -1.381 4.444 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.586 -0.161 5.270 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.188 0.481 2.881 1.00 0.54 H new ATOM 0 HD12 ILE A 38 8.155 -0.822 2.151 1.00 0.54 H new ATOM 0 HD13 ILE A 38 8.043 -0.683 3.921 1.00 0.54 H new ATOM 572 N GLY A 39 12.496 2.795 1.561 1.00 0.63 N ATOM 573 CA GLY A 39 12.875 3.346 0.263 1.00 0.68 C ATOM 574 C GLY A 39 11.707 3.799 -0.602 1.00 0.59 C ATOM 575 O GLY A 39 11.816 3.825 -1.824 1.00 0.70 O ATOM 0 H GLY A 39 12.564 3.452 2.338 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.540 4.194 0.424 1.00 0.68 H new ATOM 0 HA3 GLY A 39 13.444 2.594 -0.284 1.00 0.68 H new ATOM 579 N TYR A 40 10.604 4.159 0.005 1.00 0.45 N ATOM 580 CA TYR A 40 9.462 4.638 -0.746 1.00 0.45 C ATOM 581 C TYR A 40 9.095 6.040 -0.347 1.00 0.47 C ATOM 582 O TYR A 40 8.541 6.260 0.732 1.00 0.62 O ATOM 583 CB TYR A 40 8.251 3.704 -0.617 1.00 0.42 C ATOM 584 CG TYR A 40 8.374 2.443 -1.422 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.119 2.423 -2.779 1.00 0.57 C ATOM 586 CD2 TYR A 40 8.745 1.264 -0.809 1.00 0.53 C ATOM 587 CE1 TYR A 40 8.231 1.256 -3.505 1.00 0.68 C ATOM 588 CE2 TYR A 40 8.866 0.093 -1.513 1.00 0.60 C ATOM 589 CZ TYR A 40 8.587 0.146 -2.958 1.00 0.67 C ATOM 590 OH TYR A 40 8.714 -1.099 -3.555 1.00 0.78 O ATOM 0 H TYR A 40 10.469 4.131 1.016 1.00 0.45 H new ATOM 0 HA TYR A 40 9.758 4.646 -1.795 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.115 3.443 0.432 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.355 4.239 -0.931 1.00 0.42 H new ATOM 0 HD1 TYR A 40 7.828 3.335 -3.279 1.00 0.57 H new ATOM 0 HD2 TYR A 40 8.945 1.263 0.252 1.00 0.53 H new ATOM 0 HE1 TYR A 40 8.014 1.274 -4.563 1.00 0.68 H new ATOM 0 HE2 TYR A 40 9.154 -0.828 -1.028 1.00 0.60 H new ATOM 0 HH TYR A 40 7.864 -1.582 -3.489 1.00 0.78 H new ATOM 600 N ASP A 41 9.428 6.988 -1.207 1.00 0.55 N ATOM 601 CA ASP A 41 9.125 8.395 -0.948 1.00 0.69 C ATOM 602 C ASP A 41 7.672 8.676 -1.269 1.00 0.85 C ATOM 603 O ASP A 41 6.809 8.532 -0.418 1.00 1.62 O ATOM 604 CB ASP A 41 10.034 9.351 -1.749 1.00 0.82 C ATOM 605 CG ASP A 41 11.504 9.243 -1.400 1.00 0.99 C ATOM 606 OD1 ASP A 41 12.187 8.358 -1.969 1.00 1.32 O ATOM 607 OD2 ASP A 41 12.006 10.058 -0.569 1.00 1.27 O ATOM 0 H ASP A 41 9.907 6.815 -2.090 1.00 0.55 H new ATOM 0 HA ASP A 41 9.315 8.578 0.110 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.908 9.149 -2.813 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.705 10.376 -1.578 1.00 0.82 H new ATOM 612 N SER A 42 7.390 9.027 -2.507 1.00 0.50 N ATOM 613 CA SER A 42 6.023 9.271 -2.901 1.00 0.53 C ATOM 614 C SER A 42 5.781 8.757 -4.311 1.00 0.51 C ATOM 615 O SER A 42 4.820 8.033 -4.550 1.00 0.48 O ATOM 616 CB SER A 42 5.687 10.742 -2.811 1.00 0.69 C ATOM 617 OG SER A 42 6.431 11.510 -3.808 1.00 1.05 O ATOM 0 H SER A 42 8.081 9.148 -3.247 1.00 0.50 H new ATOM 0 HA SER A 42 5.370 8.733 -2.214 1.00 0.53 H new ATOM 0 HB2 SER A 42 4.617 10.884 -2.961 1.00 0.69 H new ATOM 0 HB3 SER A 42 5.921 11.112 -1.813 1.00 0.69 H new ATOM 0 HG SER A 42 6.196 12.458 -3.732 1.00 1.05 H new ATOM 622 N LEU A 43 6.672 9.146 -5.242 1.00 0.57 N ATOM 623 CA LEU A 43 6.625 8.711 -6.650 1.00 0.62 C ATOM 624 C LEU A 43 6.447 7.199 -6.736 1.00 0.56 C ATOM 625 O LEU A 43 5.499 6.701 -7.307 1.00 0.58 O ATOM 626 CB LEU A 43 7.929 9.108 -7.352 1.00 0.74 C ATOM 627 CG LEU A 43 8.012 8.770 -8.845 1.00 0.86 C ATOM 628 CD1 LEU A 43 7.026 9.610 -9.643 1.00 1.40 C ATOM 629 CD2 LEU A 43 9.435 8.928 -9.371 1.00 1.19 C ATOM 0 H LEU A 43 7.449 9.774 -5.037 1.00 0.57 H new ATOM 0 HA LEU A 43 5.778 9.195 -7.137 1.00 0.62 H new ATOM 0 HB2 LEU A 43 8.071 10.182 -7.233 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.758 8.619 -6.841 1.00 0.74 H new ATOM 0 HG LEU A 43 7.736 7.723 -8.970 1.00 0.86 H new ATOM 0 HD11 LEU A 43 7.102 9.354 -10.700 1.00 1.40 H new ATOM 0 HD12 LEU A 43 6.013 9.412 -9.293 1.00 1.40 H new ATOM 0 HD13 LEU A 43 7.256 10.667 -9.508 1.00 1.40 H new ATOM 0 HD21 LEU A 43 9.460 8.681 -10.432 1.00 1.19 H new ATOM 0 HD22 LEU A 43 9.763 9.958 -9.230 1.00 1.19 H new ATOM 0 HD23 LEU A 43 10.101 8.258 -8.827 1.00 1.19 H new ATOM 641 N ALA A 44 7.344 6.496 -6.084 1.00 0.54 N ATOM 642 CA ALA A 44 7.318 5.045 -6.061 1.00 0.54 C ATOM 643 C ALA A 44 6.160 4.510 -5.220 1.00 0.47 C ATOM 644 O ALA A 44 5.730 3.379 -5.382 1.00 0.53 O ATOM 645 CB ALA A 44 8.647 4.518 -5.548 1.00 0.59 C ATOM 0 H ALA A 44 8.112 6.909 -5.555 1.00 0.54 H new ATOM 0 HA ALA A 44 7.160 4.692 -7.080 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.625 3.428 -5.532 1.00 0.59 H new ATOM 0 HB2 ALA A 44 9.450 4.855 -6.204 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.822 4.892 -4.539 1.00 0.59 H new ATOM 651 N LEU A 45 5.642 5.341 -4.331 1.00 0.42 N ATOM 652 CA LEU A 45 4.613 4.902 -3.414 1.00 0.38 C ATOM 653 C LEU A 45 3.230 4.951 -4.091 1.00 0.37 C ATOM 654 O LEU A 45 2.431 4.018 -3.923 1.00 0.39 O ATOM 655 CB LEU A 45 4.672 5.725 -2.113 1.00 0.35 C ATOM 656 CG LEU A 45 4.052 5.098 -0.825 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.398 5.940 0.375 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.550 4.960 -0.915 1.00 0.53 C ATOM 0 H LEU A 45 5.918 6.318 -4.228 1.00 0.42 H new ATOM 0 HA LEU A 45 4.790 3.862 -3.140 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.718 5.949 -1.906 1.00 0.35 H new ATOM 0 HB3 LEU A 45 4.173 6.676 -2.296 1.00 0.35 H new ATOM 0 HG LEU A 45 4.474 4.098 -0.724 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.962 5.495 1.269 1.00 0.38 H new ATOM 0 HD12 LEU A 45 5.481 5.988 0.485 1.00 0.38 H new ATOM 0 HD13 LEU A 45 4.002 6.946 0.240 1.00 0.38 H new ATOM 0 HD21 LEU A 45 2.169 4.519 0.006 1.00 0.53 H new ATOM 0 HD22 LEU A 45 2.102 5.943 -1.059 1.00 0.53 H new ATOM 0 HD23 LEU A 45 2.293 4.318 -1.758 1.00 0.53 H new ATOM 670 N MET A 46 2.932 6.019 -4.872 1.00 0.37 N ATOM 671 CA MET A 46 1.634 6.071 -5.561 1.00 0.40 C ATOM 672 C MET A 46 1.431 4.904 -6.540 1.00 0.35 C ATOM 673 O MET A 46 0.312 4.414 -6.687 1.00 0.36 O ATOM 674 CB MET A 46 1.333 7.430 -6.210 1.00 0.52 C ATOM 675 CG MET A 46 1.074 8.530 -5.201 1.00 0.70 C ATOM 676 SD MET A 46 0.423 10.041 -5.938 1.00 0.96 S ATOM 677 CE MET A 46 -1.090 9.420 -6.664 1.00 2.41 C ATOM 0 H MET A 46 3.546 6.818 -5.032 1.00 0.37 H new ATOM 0 HA MET A 46 0.893 5.951 -4.771 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.173 7.717 -6.843 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.464 7.330 -6.860 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.370 8.167 -4.452 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.003 8.760 -4.679 1.00 0.70 H new ATOM 0 HE1 MET A 46 -1.814 10.231 -6.745 1.00 2.41 H new ATOM 0 HE2 MET A 46 -0.880 9.020 -7.656 1.00 2.41 H new ATOM 0 HE3 MET A 46 -1.498 8.630 -6.034 1.00 2.41 H new ATOM 687 N GLU A 47 2.520 4.427 -7.141 1.00 0.37 N ATOM 688 CA GLU A 47 2.474 3.244 -8.018 1.00 0.39 C ATOM 689 C GLU A 47 1.959 2.002 -7.271 1.00 0.37 C ATOM 690 O GLU A 47 1.263 1.172 -7.844 1.00 0.43 O ATOM 691 CB GLU A 47 3.856 2.972 -8.634 1.00 0.48 C ATOM 692 CG GLU A 47 4.236 3.948 -9.744 1.00 0.68 C ATOM 693 CD GLU A 47 3.419 3.745 -11.016 1.00 1.41 C ATOM 694 OE1 GLU A 47 2.218 4.083 -11.028 1.00 2.15 O ATOM 695 OE2 GLU A 47 3.970 3.212 -12.022 1.00 1.84 O ATOM 0 H GLU A 47 3.448 4.837 -7.040 1.00 0.37 H new ATOM 0 HA GLU A 47 1.770 3.459 -8.822 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.610 3.018 -7.848 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.873 1.958 -9.033 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.097 4.969 -9.387 1.00 0.68 H new ATOM 0 HG3 GLU A 47 5.295 3.833 -9.976 1.00 0.68 H new ATOM 702 N THR A 48 2.292 1.898 -5.995 1.00 0.36 N ATOM 703 CA THR A 48 1.832 0.811 -5.159 1.00 0.39 C ATOM 704 C THR A 48 0.319 0.943 -4.898 1.00 0.35 C ATOM 705 O THR A 48 -0.428 -0.029 -5.025 1.00 0.40 O ATOM 706 CB THR A 48 2.591 0.837 -3.825 1.00 0.43 C ATOM 707 OG1 THR A 48 4.007 0.807 -4.097 1.00 0.51 O ATOM 708 CG2 THR A 48 2.211 -0.357 -2.966 1.00 0.51 C ATOM 0 H THR A 48 2.890 2.568 -5.512 1.00 0.36 H new ATOM 0 HA THR A 48 2.019 -0.134 -5.669 1.00 0.39 H new ATOM 0 HB THR A 48 2.329 1.745 -3.282 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.497 1.139 -3.316 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.761 -0.318 -2.026 1.00 0.51 H new ATOM 0 HG22 THR A 48 1.141 -0.332 -2.762 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.459 -1.278 -3.493 1.00 0.51 H new ATOM 716 N ALA A 49 -0.119 2.147 -4.545 1.00 0.31 N ATOM 717 CA ALA A 49 -1.537 2.403 -4.269 1.00 0.32 C ATOM 718 C ALA A 49 -2.382 2.101 -5.513 1.00 0.30 C ATOM 719 O ALA A 49 -3.372 1.351 -5.450 1.00 0.32 O ATOM 720 CB ALA A 49 -1.741 3.845 -3.809 1.00 0.38 C ATOM 0 H ALA A 49 0.484 2.964 -4.442 1.00 0.31 H new ATOM 0 HA ALA A 49 -1.862 1.743 -3.465 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.799 4.017 -3.609 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.166 4.022 -2.900 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.404 4.527 -4.590 1.00 0.38 H new ATOM 726 N ALA A 50 -1.936 2.621 -6.655 1.00 0.29 N ATOM 727 CA ALA A 50 -2.629 2.432 -7.935 1.00 0.31 C ATOM 728 C ALA A 50 -2.652 0.956 -8.341 1.00 0.31 C ATOM 729 O ALA A 50 -3.551 0.513 -9.052 1.00 0.35 O ATOM 730 CB ALA A 50 -1.989 3.277 -9.025 1.00 0.39 C ATOM 0 H ALA A 50 -1.088 3.184 -6.723 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.660 2.760 -7.806 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.519 3.121 -9.965 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -2.043 4.330 -8.748 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -0.945 2.987 -9.145 1.00 0.39 H new ATOM 736 N ARG A 51 -1.663 0.196 -7.873 1.00 0.32 N ATOM 737 CA ARG A 51 -1.561 -1.239 -8.143 1.00 0.38 C ATOM 738 C ARG A 51 -2.723 -1.992 -7.464 1.00 0.37 C ATOM 739 O ARG A 51 -3.218 -3.001 -7.978 1.00 0.47 O ATOM 740 CB ARG A 51 -0.204 -1.762 -7.639 1.00 0.49 C ATOM 741 CG ARG A 51 0.135 -3.201 -8.007 1.00 0.97 C ATOM 742 CD ARG A 51 0.224 -3.384 -9.520 1.00 0.98 C ATOM 743 NE ARG A 51 0.772 -4.702 -9.891 1.00 1.92 N ATOM 744 CZ ARG A 51 0.339 -5.485 -10.895 1.00 2.31 C ATOM 745 NH1 ARG A 51 -0.767 -5.175 -11.571 1.00 2.05 N ATOM 746 NH2 ARG A 51 1.011 -6.590 -11.207 1.00 3.40 N ATOM 0 H ARG A 51 -0.906 0.559 -7.293 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.627 -1.411 -9.217 1.00 0.38 H new ATOM 0 HB2 ARG A 51 0.581 -1.114 -8.029 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.182 -1.671 -6.553 1.00 0.49 H new ATOM 0 HG2 ARG A 51 1.084 -3.481 -7.549 1.00 0.97 H new ATOM 0 HG3 ARG A 51 -0.624 -3.870 -7.602 1.00 0.97 H new ATOM 0 HD2 ARG A 51 -0.768 -3.269 -9.957 1.00 0.98 H new ATOM 0 HD3 ARG A 51 0.852 -2.599 -9.943 1.00 0.98 H new ATOM 0 HE ARG A 51 1.552 -5.052 -9.334 1.00 1.92 H new ATOM 0 HH11 ARG A 51 -1.295 -4.336 -11.329 1.00 2.05 H new ATOM 0 HH12 ARG A 51 -1.086 -5.776 -12.331 1.00 2.05 H new ATOM 0 HH21 ARG A 51 1.851 -6.840 -10.685 1.00 3.40 H new ATOM 0 HH22 ARG A 51 0.686 -7.187 -11.968 1.00 3.40 H new ATOM 760 N LEU A 52 -3.166 -1.489 -6.329 1.00 0.32 N ATOM 761 CA LEU A 52 -4.278 -2.093 -5.613 1.00 0.34 C ATOM 762 C LEU A 52 -5.595 -1.627 -6.171 1.00 0.33 C ATOM 763 O LEU A 52 -6.511 -2.430 -6.397 1.00 0.40 O ATOM 764 CB LEU A 52 -4.193 -1.802 -4.121 1.00 0.35 C ATOM 765 CG LEU A 52 -3.007 -2.424 -3.397 1.00 0.38 C ATOM 766 CD1 LEU A 52 -3.014 -2.030 -1.919 1.00 0.43 C ATOM 767 CD2 LEU A 52 -3.046 -3.939 -3.540 1.00 0.39 C ATOM 0 H LEU A 52 -2.774 -0.662 -5.880 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.213 -3.172 -5.750 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.156 -0.722 -3.981 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.110 -2.153 -3.648 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.088 -2.050 -3.848 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -2.159 -2.484 -1.417 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.952 -0.945 -1.831 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.935 -2.380 -1.454 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -2.194 -4.376 -3.019 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.971 -4.322 -3.108 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -3.001 -4.206 -4.596 1.00 0.39 H new ATOM 779 N GLU A 53 -5.678 -0.323 -6.434 1.00 0.28 N ATOM 780 CA GLU A 53 -6.889 0.297 -6.989 1.00 0.29 C ATOM 781 C GLU A 53 -7.290 -0.371 -8.297 1.00 0.31 C ATOM 782 O GLU A 53 -8.456 -0.641 -8.516 1.00 0.35 O ATOM 783 CB GLU A 53 -6.684 1.782 -7.258 1.00 0.29 C ATOM 784 CG GLU A 53 -6.344 2.643 -6.066 1.00 0.35 C ATOM 785 CD GLU A 53 -6.183 4.098 -6.457 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.152 4.448 -7.078 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.073 4.906 -6.114 1.00 0.51 O ATOM 0 H GLU A 53 -4.914 0.333 -6.271 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.675 0.168 -6.245 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -5.887 1.888 -7.994 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.593 2.175 -7.714 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.129 2.552 -5.315 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.422 2.284 -5.608 1.00 0.35 H new ATOM 794 N SER A 54 -6.318 -0.668 -9.143 1.00 0.35 N ATOM 795 CA SER A 54 -6.593 -1.260 -10.451 1.00 0.43 C ATOM 796 C SER A 54 -7.034 -2.732 -10.368 1.00 0.47 C ATOM 797 O SER A 54 -7.774 -3.211 -11.233 1.00 0.61 O ATOM 798 CB SER A 54 -5.372 -1.096 -11.361 1.00 0.49 C ATOM 799 OG SER A 54 -4.175 -1.480 -10.688 1.00 1.16 O ATOM 0 H SER A 54 -5.329 -0.510 -8.952 1.00 0.35 H new ATOM 0 HA SER A 54 -7.438 -0.722 -10.880 1.00 0.43 H new ATOM 0 HB2 SER A 54 -5.499 -1.702 -12.258 1.00 0.49 H new ATOM 0 HB3 SER A 54 -5.293 -0.059 -11.686 1.00 0.49 H new ATOM 0 HG SER A 54 -3.741 -0.685 -10.313 1.00 1.16 H new ATOM 805 N ARG A 55 -6.589 -3.439 -9.335 1.00 0.40 N ATOM 806 CA ARG A 55 -6.965 -4.835 -9.184 1.00 0.46 C ATOM 807 C ARG A 55 -8.328 -4.958 -8.515 1.00 0.47 C ATOM 808 O ARG A 55 -9.210 -5.687 -8.982 1.00 0.57 O ATOM 809 CB ARG A 55 -5.931 -5.624 -8.371 1.00 0.50 C ATOM 810 CG ARG A 55 -6.344 -7.085 -8.135 1.00 0.61 C ATOM 811 CD ARG A 55 -5.398 -7.814 -7.212 1.00 0.75 C ATOM 812 NE ARG A 55 -5.870 -9.179 -6.923 1.00 1.28 N ATOM 813 CZ ARG A 55 -5.316 -10.022 -6.022 1.00 1.65 C ATOM 814 NH1 ARG A 55 -4.371 -9.592 -5.194 1.00 1.46 N ATOM 815 NH2 ARG A 55 -5.773 -11.273 -5.914 1.00 2.65 N ATOM 0 H ARG A 55 -5.979 -3.075 -8.603 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.009 -5.258 -10.187 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -4.974 -5.602 -8.891 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.782 -5.134 -7.409 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -7.349 -7.111 -7.714 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.386 -7.606 -9.092 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -4.408 -7.859 -7.666 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -5.297 -7.258 -6.280 1.00 0.75 H new ATOM 0 HE ARG A 55 -6.680 -9.516 -7.444 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -4.060 -8.622 -5.236 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -3.957 -10.232 -4.516 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -6.538 -11.590 -6.510 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -5.357 -11.911 -5.235 1.00 2.65 H new ATOM 829 N TYR A 56 -8.492 -4.235 -7.430 1.00 0.42 N ATOM 830 CA TYR A 56 -9.686 -4.328 -6.635 1.00 0.47 C ATOM 831 C TYR A 56 -10.807 -3.443 -7.166 1.00 0.50 C ATOM 832 O TYR A 56 -11.974 -3.673 -6.874 1.00 0.67 O ATOM 833 CB TYR A 56 -9.364 -4.082 -5.144 1.00 0.52 C ATOM 834 CG TYR A 56 -8.465 -5.173 -4.545 1.00 0.53 C ATOM 835 CD1 TYR A 56 -7.083 -5.077 -4.643 1.00 0.59 C ATOM 836 CD2 TYR A 56 -8.998 -6.270 -3.870 1.00 0.62 C ATOM 837 CE1 TYR A 56 -6.260 -6.036 -4.088 1.00 0.65 C ATOM 838 CE2 TYR A 56 -8.184 -7.229 -3.299 1.00 0.70 C ATOM 839 CZ TYR A 56 -6.856 -7.192 -3.509 1.00 0.67 C ATOM 840 OH TYR A 56 -6.002 -8.024 -2.831 1.00 0.79 O ATOM 0 H TYR A 56 -7.803 -3.570 -7.079 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.069 -5.345 -6.715 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -8.874 -3.114 -5.037 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.295 -4.033 -4.579 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -6.645 -4.238 -5.162 1.00 0.59 H new ATOM 0 HD2 TYR A 56 -10.070 -6.372 -3.792 1.00 0.62 H new ATOM 0 HE1 TYR A 56 -5.187 -5.912 -4.093 1.00 0.65 H new ATOM 0 HE2 TYR A 56 -8.613 -8.007 -2.685 1.00 0.70 H new ATOM 0 HH TYR A 56 -5.099 -7.938 -3.201 1.00 0.79 H new ATOM 850 N GLY A 57 -10.452 -2.475 -7.975 1.00 0.41 N ATOM 851 CA GLY A 57 -11.434 -1.582 -8.560 1.00 0.45 C ATOM 852 C GLY A 57 -11.872 -0.535 -7.565 1.00 0.46 C ATOM 853 O GLY A 57 -13.064 -0.385 -7.295 1.00 0.61 O ATOM 0 H GLY A 57 -9.488 -2.281 -8.247 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.012 -1.098 -9.441 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.299 -2.155 -8.895 1.00 0.45 H new ATOM 857 N VAL A 58 -10.909 0.187 -7.007 1.00 0.38 N ATOM 858 CA VAL A 58 -11.210 1.189 -6.011 1.00 0.42 C ATOM 859 C VAL A 58 -10.634 2.554 -6.427 1.00 0.45 C ATOM 860 O VAL A 58 -10.089 2.688 -7.521 1.00 0.51 O ATOM 861 CB VAL A 58 -10.735 0.793 -4.545 1.00 0.42 C ATOM 862 CG1 VAL A 58 -11.061 -0.641 -4.222 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.256 1.057 -4.267 1.00 0.57 C ATOM 0 H VAL A 58 -9.918 0.093 -7.231 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.297 1.257 -5.964 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.300 1.456 -3.890 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.721 -0.873 -3.213 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -12.139 -0.792 -4.286 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.560 -1.297 -4.934 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -9.019 0.758 -3.246 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.646 0.482 -4.964 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -9.046 2.119 -4.392 1.00 0.57 H new ATOM 873 N SER A 59 -10.773 3.536 -5.564 1.00 0.51 N ATOM 874 CA SER A 59 -10.239 4.848 -5.774 1.00 0.61 C ATOM 875 C SER A 59 -9.943 5.431 -4.399 1.00 0.56 C ATOM 876 O SER A 59 -10.829 5.479 -3.539 1.00 0.63 O ATOM 877 CB SER A 59 -11.244 5.717 -6.559 1.00 0.84 C ATOM 878 OG SER A 59 -10.687 6.981 -6.921 1.00 1.59 O ATOM 0 H SER A 59 -11.272 3.434 -4.680 1.00 0.51 H new ATOM 0 HA SER A 59 -9.326 4.815 -6.369 1.00 0.61 H new ATOM 0 HB2 SER A 59 -11.557 5.187 -7.459 1.00 0.84 H new ATOM 0 HB3 SER A 59 -12.138 5.874 -5.955 1.00 0.84 H new ATOM 0 HG SER A 59 -11.352 7.502 -7.418 1.00 1.59 H new ATOM 884 N ILE A 60 -8.719 5.773 -4.160 1.00 0.50 N ATOM 885 CA ILE A 60 -8.316 6.309 -2.874 1.00 0.48 C ATOM 886 C ILE A 60 -8.449 7.839 -2.851 1.00 0.53 C ATOM 887 O ILE A 60 -7.941 8.524 -3.731 1.00 0.63 O ATOM 888 CB ILE A 60 -6.856 5.891 -2.535 1.00 0.48 C ATOM 889 CG1 ILE A 60 -6.724 4.368 -2.544 1.00 0.64 C ATOM 890 CG2 ILE A 60 -6.413 6.449 -1.189 1.00 0.53 C ATOM 891 CD1 ILE A 60 -7.647 3.653 -1.575 1.00 0.75 C ATOM 0 H ILE A 60 -7.962 5.694 -4.840 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.981 5.894 -2.116 1.00 0.48 H new ATOM 0 HB ILE A 60 -6.204 6.310 -3.302 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -6.923 4.004 -3.552 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -5.693 4.103 -2.307 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -5.389 6.137 -0.985 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -6.463 7.538 -1.212 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -7.070 6.072 -0.405 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -7.487 2.577 -1.647 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -7.434 3.984 -0.559 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -8.683 3.883 -1.822 1.00 0.75 H new ATOM 903 N PRO A 61 -9.164 8.395 -1.849 1.00 0.65 N ATOM 904 CA PRO A 61 -9.317 9.840 -1.708 1.00 0.77 C ATOM 905 C PRO A 61 -7.999 10.499 -1.273 1.00 0.65 C ATOM 906 O PRO A 61 -7.361 10.058 -0.292 1.00 0.57 O ATOM 907 CB PRO A 61 -10.387 9.992 -0.614 1.00 0.97 C ATOM 908 CG PRO A 61 -10.966 8.629 -0.431 1.00 1.08 C ATOM 909 CD PRO A 61 -9.883 7.671 -0.792 1.00 0.83 C ATOM 0 HA PRO A 61 -9.595 10.322 -2.645 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.950 10.361 0.314 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -11.154 10.707 -0.911 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -11.293 8.479 0.598 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.840 8.488 -1.067 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -9.239 7.447 0.058 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -10.282 6.722 -1.149 1.00 0.83 H new ATOM 917 N ASP A 62 -7.637 11.565 -1.978 1.00 0.74 N ATOM 918 CA ASP A 62 -6.373 12.337 -1.808 1.00 0.73 C ATOM 919 C ASP A 62 -6.157 12.679 -0.346 1.00 0.62 C ATOM 920 O ASP A 62 -5.126 12.359 0.255 1.00 0.64 O ATOM 921 CB ASP A 62 -6.476 13.678 -2.576 1.00 0.93 C ATOM 922 CG ASP A 62 -7.134 13.570 -3.938 1.00 1.44 C ATOM 923 OD1 ASP A 62 -8.368 13.488 -4.024 1.00 1.92 O ATOM 924 OD2 ASP A 62 -6.385 13.547 -4.949 1.00 2.07 O ATOM 0 H ASP A 62 -8.227 11.945 -2.718 1.00 0.74 H new ATOM 0 HA ASP A 62 -5.552 11.727 -2.184 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -7.038 14.388 -1.969 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -5.474 14.089 -2.701 1.00 0.93 H new ATOM 929 N ASP A 63 -7.185 13.292 0.211 1.00 0.63 N ATOM 930 CA ASP A 63 -7.251 13.782 1.592 1.00 0.61 C ATOM 931 C ASP A 63 -6.923 12.699 2.600 1.00 0.59 C ATOM 932 O ASP A 63 -6.292 12.951 3.620 1.00 0.64 O ATOM 933 CB ASP A 63 -8.686 14.235 1.896 1.00 0.77 C ATOM 934 CG ASP A 63 -9.250 15.181 0.878 1.00 1.36 C ATOM 935 OD1 ASP A 63 -9.704 14.703 -0.189 1.00 2.00 O ATOM 936 OD2 ASP A 63 -9.267 16.390 1.125 1.00 2.10 O ATOM 0 H ASP A 63 -8.045 13.475 -0.307 1.00 0.63 H new ATOM 0 HA ASP A 63 -6.527 14.592 1.676 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -9.329 13.357 1.958 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -8.706 14.715 2.875 1.00 0.77 H new ATOM 941 N VAL A 64 -7.378 11.506 2.314 1.00 0.62 N ATOM 942 CA VAL A 64 -7.269 10.382 3.220 1.00 0.69 C ATOM 943 C VAL A 64 -5.909 9.690 3.084 1.00 0.67 C ATOM 944 O VAL A 64 -5.296 9.315 4.085 1.00 0.78 O ATOM 945 CB VAL A 64 -8.430 9.376 2.953 1.00 0.82 C ATOM 946 CG1 VAL A 64 -8.361 8.183 3.892 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.782 10.075 3.103 1.00 0.90 C ATOM 0 H VAL A 64 -7.842 11.281 1.434 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.347 10.752 4.242 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.322 9.011 1.932 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -9.185 7.503 3.677 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.414 7.662 3.749 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -8.434 8.527 4.924 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.584 9.361 2.914 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -9.878 10.469 4.115 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -9.849 10.894 2.387 1.00 0.90 H new ATOM 957 N ALA A 65 -5.440 9.553 1.851 1.00 0.61 N ATOM 958 CA ALA A 65 -4.183 8.860 1.547 1.00 0.67 C ATOM 959 C ALA A 65 -2.977 9.513 2.213 1.00 0.64 C ATOM 960 O ALA A 65 -2.136 8.832 2.801 1.00 0.74 O ATOM 961 CB ALA A 65 -3.969 8.818 0.057 1.00 0.77 C ATOM 0 H ALA A 65 -5.918 9.918 1.027 1.00 0.61 H new ATOM 0 HA ALA A 65 -4.271 7.850 1.947 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -3.034 8.302 -0.162 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.796 8.287 -0.414 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.922 9.835 -0.333 1.00 0.77 H new ATOM 967 N GLY A 66 -2.929 10.831 2.180 1.00 0.58 N ATOM 968 CA GLY A 66 -1.776 11.548 2.695 1.00 0.66 C ATOM 969 C GLY A 66 -1.777 11.728 4.203 1.00 0.68 C ATOM 970 O GLY A 66 -1.426 12.797 4.697 1.00 0.86 O ATOM 0 H GLY A 66 -3.669 11.425 1.805 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -0.871 11.014 2.405 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -1.732 12.530 2.223 1.00 0.66 H new ATOM 974 N ARG A 67 -2.185 10.703 4.935 1.00 0.64 N ATOM 975 CA ARG A 67 -2.195 10.765 6.397 1.00 0.79 C ATOM 976 C ARG A 67 -1.541 9.527 6.992 1.00 0.77 C ATOM 977 O ARG A 67 -1.563 9.344 8.194 1.00 0.95 O ATOM 978 CB ARG A 67 -3.628 10.863 6.936 1.00 0.94 C ATOM 979 CG ARG A 67 -4.461 11.985 6.366 1.00 1.12 C ATOM 980 CD ARG A 67 -5.820 12.016 7.031 1.00 1.40 C ATOM 981 NE ARG A 67 -6.787 12.856 6.318 1.00 1.89 N ATOM 982 CZ ARG A 67 -7.964 13.221 6.812 1.00 2.51 C ATOM 983 NH1 ARG A 67 -8.197 13.108 8.124 1.00 2.93 N ATOM 984 NH2 ARG A 67 -8.875 13.783 6.013 1.00 3.22 N ATOM 0 H ARG A 67 -2.513 9.819 4.547 1.00 0.64 H new ATOM 0 HA ARG A 67 -1.636 11.655 6.685 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -4.137 9.920 6.739 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -3.583 10.981 8.019 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -3.953 12.938 6.516 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -4.577 11.851 5.290 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -6.209 11.000 7.098 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -5.711 12.383 8.051 1.00 1.40 H new ATOM 0 HE ARG A 67 -6.540 13.181 5.383 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -7.472 12.743 8.741 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -9.100 13.387 8.508 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -8.666 13.931 5.026 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -9.780 14.064 6.390 1.00 3.22 H new ATOM 998 N VAL A 68 -0.962 8.691 6.156 1.00 0.62 N ATOM 999 CA VAL A 68 -0.387 7.436 6.624 1.00 0.66 C ATOM 1000 C VAL A 68 1.140 7.479 6.646 1.00 0.67 C ATOM 1001 O VAL A 68 1.779 7.889 5.675 1.00 1.00 O ATOM 1002 CB VAL A 68 -0.880 6.203 5.754 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.381 6.031 5.848 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.477 6.334 4.287 1.00 0.64 C ATOM 0 H VAL A 68 -0.874 8.851 5.153 1.00 0.62 H new ATOM 0 HA VAL A 68 -0.739 7.301 7.647 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.389 5.322 6.167 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.688 5.179 5.242 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.663 5.858 6.887 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -2.874 6.932 5.484 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.836 5.467 3.732 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -0.916 7.240 3.869 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.609 6.388 4.211 1.00 0.64 H new ATOM 1014 N ASP A 69 1.740 7.140 7.784 1.00 0.54 N ATOM 1015 CA ASP A 69 3.196 7.029 7.819 1.00 0.64 C ATOM 1016 C ASP A 69 3.630 5.580 7.995 1.00 0.50 C ATOM 1017 O ASP A 69 4.812 5.227 7.766 1.00 0.54 O ATOM 1018 CB ASP A 69 3.908 8.013 8.798 1.00 0.99 C ATOM 1019 CG ASP A 69 3.695 7.789 10.282 1.00 1.11 C ATOM 1020 OD1 ASP A 69 2.712 8.316 10.847 1.00 1.37 O ATOM 1021 OD2 ASP A 69 4.433 6.982 10.900 1.00 1.84 O ATOM 0 H ASP A 69 1.263 6.944 8.664 1.00 0.54 H new ATOM 0 HA ASP A 69 3.543 7.362 6.841 1.00 0.64 H new ATOM 0 HB2 ASP A 69 4.979 7.970 8.600 1.00 0.99 H new ATOM 0 HB3 ASP A 69 3.580 9.024 8.558 1.00 0.99 H new ATOM 1026 N THR A 70 2.663 4.726 8.329 1.00 0.43 N ATOM 1027 CA THR A 70 2.882 3.301 8.413 1.00 0.37 C ATOM 1028 C THR A 70 1.888 2.543 7.494 1.00 0.33 C ATOM 1029 O THR A 70 0.712 2.940 7.368 1.00 0.34 O ATOM 1030 CB THR A 70 2.744 2.779 9.870 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.451 3.095 10.406 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.830 3.361 10.760 1.00 0.44 C ATOM 0 H THR A 70 1.709 5.013 8.547 1.00 0.43 H new ATOM 0 HA THR A 70 3.903 3.113 8.080 1.00 0.37 H new ATOM 0 HB THR A 70 2.857 1.695 9.845 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.243 4.035 10.225 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.712 2.980 11.775 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.808 3.073 10.376 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.750 4.448 10.769 1.00 0.44 H new ATOM 1040 N PRO A 71 2.347 1.446 6.815 1.00 0.32 N ATOM 1041 CA PRO A 71 1.498 0.607 5.947 1.00 0.31 C ATOM 1042 C PRO A 71 0.354 -0.046 6.721 1.00 0.29 C ATOM 1043 O PRO A 71 -0.626 -0.499 6.141 1.00 0.33 O ATOM 1044 CB PRO A 71 2.453 -0.472 5.430 1.00 0.34 C ATOM 1045 CG PRO A 71 3.800 0.124 5.571 1.00 0.38 C ATOM 1046 CD PRO A 71 3.730 0.981 6.800 1.00 0.36 C ATOM 0 HA PRO A 71 1.029 1.195 5.158 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.364 -1.391 6.009 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.239 -0.727 4.392 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.562 -0.648 5.673 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.062 0.716 4.694 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.972 0.414 7.699 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.432 1.813 6.749 1.00 0.36 H new ATOM 1054 N ARG A 72 0.495 -0.082 8.041 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.531 -0.616 8.921 1.00 0.34 C ATOM 1056 C ARG A 72 -1.807 0.226 8.780 1.00 0.36 C ATOM 1057 O ARG A 72 -2.907 -0.306 8.621 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.035 -0.563 10.357 1.00 0.41 C ATOM 1059 CG ARG A 72 -0.918 -1.267 11.364 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.410 -1.027 12.773 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.517 0.396 13.148 1.00 0.75 N ATOM 1062 CZ ARG A 72 0.374 1.065 13.906 1.00 0.98 C ATOM 1063 NH1 ARG A 72 1.526 0.493 14.253 1.00 1.38 N ATOM 1064 NH2 ARG A 72 0.123 2.334 14.251 1.00 1.16 N ATOM 0 H ARG A 72 1.324 0.258 8.528 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.750 -1.649 8.652 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.961 -1.004 10.398 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.066 0.481 10.652 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -1.943 -0.906 11.274 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -0.937 -2.337 11.155 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -0.981 -1.634 13.476 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.629 -1.347 12.846 1.00 0.69 H new ATOM 0 HE ARG A 72 -1.328 0.913 12.807 1.00 0.75 H new ATOM 0 HH11 ARG A 72 1.737 -0.456 13.945 1.00 1.38 H new ATOM 0 HH12 ARG A 72 2.197 1.004 14.827 1.00 1.38 H new ATOM 0 HH21 ARG A 72 -0.737 2.786 13.940 1.00 1.16 H new ATOM 0 HH22 ARG A 72 0.792 2.848 14.825 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.615 1.545 8.762 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.700 2.504 8.638 1.00 0.42 C ATOM 1080 C GLU A 73 -3.287 2.435 7.224 1.00 0.40 C ATOM 1081 O GLU A 73 -4.480 2.674 7.012 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.163 3.917 8.929 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.526 4.053 10.306 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.765 5.348 10.494 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.264 5.556 9.802 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -1.245 6.208 11.284 1.00 1.33 O ATOM 0 H GLU A 73 -0.693 1.976 8.834 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.487 2.269 9.354 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.427 4.181 8.169 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -2.981 4.633 8.843 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.304 3.985 11.066 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -0.848 3.215 10.468 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.430 2.083 6.276 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.793 1.976 4.868 1.00 0.43 C ATOM 1095 C LEU A 74 -3.710 0.742 4.666 1.00 0.41 C ATOM 1096 O LEU A 74 -4.685 0.799 3.905 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.484 1.865 4.027 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.516 2.234 2.523 1.00 0.50 C ATOM 1099 CD1 LEU A 74 -0.129 2.111 1.926 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.474 1.374 1.730 1.00 1.10 C ATOM 0 H LEU A 74 -1.452 1.861 6.464 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.344 2.857 4.539 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.734 2.496 4.503 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -1.131 0.837 4.105 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.867 3.264 2.462 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -0.164 2.373 0.868 1.00 1.04 H new ATOM 0 HD12 LEU A 74 0.552 2.786 2.445 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.224 1.086 2.035 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.454 1.678 0.683 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -2.176 0.329 1.810 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -3.483 1.495 2.124 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.423 -0.340 5.382 1.00 0.41 N ATOM 1113 CA LEU A 75 -4.181 -1.574 5.256 1.00 0.41 C ATOM 1114 C LEU A 75 -5.650 -1.343 5.647 1.00 0.39 C ATOM 1115 O LEU A 75 -6.555 -1.643 4.855 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.556 -2.692 6.105 1.00 0.46 C ATOM 1117 CG LEU A 75 -4.133 -4.100 5.896 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.842 -4.602 4.489 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.600 -5.069 6.937 1.00 0.54 C ATOM 0 H LEU A 75 -2.663 -0.384 6.061 1.00 0.41 H new ATOM 0 HA LEU A 75 -4.149 -1.891 4.214 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.487 -2.725 5.896 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.668 -2.428 7.157 1.00 0.46 H new ATOM 0 HG LEU A 75 -5.215 -4.040 6.017 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.260 -5.601 4.365 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.293 -3.927 3.761 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.764 -4.638 4.331 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -4.025 -6.058 6.765 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.514 -5.123 6.862 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.878 -4.723 7.932 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.886 -0.766 6.848 1.00 0.44 N ATOM 1132 CA ASP A 76 -7.270 -0.449 7.319 1.00 0.48 C ATOM 1133 C ASP A 76 -8.003 0.432 6.333 1.00 0.40 C ATOM 1134 O ASP A 76 -9.207 0.279 6.118 1.00 0.44 O ATOM 1135 CB ASP A 76 -7.289 0.235 8.702 1.00 0.66 C ATOM 1136 CG ASP A 76 -7.235 -0.729 9.873 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -8.269 -1.339 10.209 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -6.130 -0.921 10.452 1.00 1.89 O ATOM 0 H ASP A 76 -5.151 -0.510 7.507 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.776 -1.411 7.403 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -6.442 0.918 8.769 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -8.193 0.839 8.784 1.00 0.66 H new ATOM 1143 N LEU A 77 -7.256 1.331 5.709 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.792 2.276 4.748 1.00 0.38 C ATOM 1145 C LEU A 77 -8.352 1.512 3.528 1.00 0.33 C ATOM 1146 O LEU A 77 -9.499 1.726 3.126 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.666 3.272 4.343 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.058 4.618 3.688 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -5.832 5.510 3.608 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -7.650 4.437 2.301 1.00 1.24 C ATOM 0 H LEU A 77 -6.251 1.424 5.859 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.613 2.845 5.184 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.088 3.498 5.239 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -5.999 2.753 3.655 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.827 5.078 4.309 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -6.103 6.460 3.147 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -5.447 5.690 4.612 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -5.065 5.021 3.008 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -7.908 5.411 1.886 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -6.920 3.949 1.655 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -8.547 3.821 2.366 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.570 0.590 2.990 1.00 0.31 N ATOM 1163 CA ILE A 78 -7.978 -0.190 1.805 1.00 0.32 C ATOM 1164 C ILE A 78 -9.121 -1.133 2.192 1.00 0.29 C ATOM 1165 O ILE A 78 -10.171 -1.165 1.533 1.00 0.33 O ATOM 1166 CB ILE A 78 -6.781 -1.032 1.235 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -5.635 -0.124 0.742 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.247 -1.950 0.092 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.995 0.738 -0.462 1.00 0.63 C ATOM 0 H ILE A 78 -6.644 0.354 3.347 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.304 0.506 1.032 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.405 -1.648 2.052 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -5.324 0.526 1.560 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -4.778 -0.747 0.486 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -6.399 -2.522 -0.284 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.010 -2.635 0.463 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -7.663 -1.345 -0.714 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -5.135 1.346 -0.745 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -6.277 0.097 -1.297 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -6.831 1.389 -0.206 1.00 0.63 H new ATOM 1181 N ASN A 79 -8.903 -1.882 3.269 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.874 -2.856 3.776 1.00 0.33 C ATOM 1183 C ASN A 79 -11.228 -2.199 4.051 1.00 0.37 C ATOM 1184 O ASN A 79 -12.280 -2.749 3.711 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.370 -3.520 5.083 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.174 -4.477 4.940 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.397 -4.634 5.866 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -8.026 -5.136 3.809 1.00 0.55 N ATOM 0 H ASN A 79 -8.046 -1.833 3.819 1.00 0.30 H new ATOM 0 HA ASN A 79 -9.991 -3.616 3.003 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -9.096 -2.732 5.784 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -10.198 -4.071 5.529 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.251 -5.790 3.698 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -8.686 -4.992 3.045 1.00 0.55 H new ATOM 1195 N GLY A 80 -11.182 -1.014 4.649 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.372 -0.290 4.998 1.00 0.46 C ATOM 1197 C GLY A 80 -13.095 0.262 3.797 1.00 0.47 C ATOM 1198 O GLY A 80 -14.328 0.212 3.735 1.00 0.57 O ATOM 0 H GLY A 80 -10.315 -0.539 4.900 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -13.043 -0.948 5.549 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -12.110 0.530 5.667 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.337 0.757 2.830 1.00 0.43 N ATOM 1203 CA ALA A 81 -12.903 1.366 1.645 1.00 0.49 C ATOM 1204 C ALA A 81 -13.657 0.343 0.818 1.00 0.54 C ATOM 1205 O ALA A 81 -14.648 0.668 0.182 1.00 0.68 O ATOM 1206 CB ALA A 81 -11.824 2.060 0.825 1.00 0.49 C ATOM 0 H ALA A 81 -11.317 0.746 2.848 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.618 2.126 1.960 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.273 2.510 -0.060 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.352 2.836 1.427 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.073 1.331 0.520 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.187 -0.910 0.849 1.00 0.48 N ATOM 1213 CA LEU A 82 -13.868 -2.025 0.168 1.00 0.57 C ATOM 1214 C LEU A 82 -15.314 -2.197 0.662 1.00 0.70 C ATOM 1215 O LEU A 82 -16.220 -2.483 -0.125 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.100 -3.342 0.368 1.00 0.54 C ATOM 1217 CG LEU A 82 -11.735 -3.445 -0.301 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -11.026 -4.729 0.129 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -11.884 -3.418 -1.817 1.00 0.63 C ATOM 0 H LEU A 82 -12.335 -1.181 1.340 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.893 -1.779 -0.894 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.967 -3.500 1.438 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.722 -4.158 0.000 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.135 -2.590 0.010 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.052 -4.788 -0.358 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.891 -4.726 1.211 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.628 -5.591 -0.159 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -10.900 -3.492 -2.281 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -12.500 -4.258 -2.137 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -12.358 -2.484 -2.119 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.531 -1.958 1.956 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.849 -2.124 2.545 1.00 0.87 C ATOM 1233 C ALA A 83 -17.766 -0.982 2.156 1.00 1.01 C ATOM 1234 O ALA A 83 -18.963 -1.157 2.033 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.756 -2.238 4.057 1.00 0.90 C ATOM 0 H ALA A 83 -14.811 -1.650 2.609 1.00 0.69 H new ATOM 0 HA ALA A 83 -17.273 -3.050 2.156 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -17.755 -2.361 4.475 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -16.144 -3.101 4.320 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -16.302 -1.334 4.463 1.00 0.90 H new