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 Set 1.1: A 17 SER OG : rot -174:sc= 0.889 USER MOD Set 1.2: A 40 TYR OH : rot 97:sc= -0.8! USER MOD Set 1.3: A 48 THR OG1 : rot 170:sc= 0.719 USER MOD Single : A 6 THR OG1 : rot -4:sc= 1.17 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0843 USER MOD Single : A 46 MET CE :methyl -165:sc= -0.123 (180deg=-0.6) USER MOD Single : A 54 SER OG : rot 81:sc= 1.17 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00269 USER MOD Single : A 70 THR OG1 : rot -41:sc= -0.771 USER MOD Single : A 79 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -11.787 -8.300 1.334 1.00 0.86 N ATOM 45 CA LEU A 4 -10.560 -7.769 1.926 1.00 0.72 C ATOM 46 C LEU A 4 -9.321 -8.520 1.489 1.00 0.67 C ATOM 47 O LEU A 4 -9.335 -9.753 1.341 1.00 0.83 O ATOM 48 CB LEU A 4 -10.613 -7.737 3.473 1.00 0.71 C ATOM 49 CG LEU A 4 -11.314 -6.546 4.141 1.00 0.87 C ATOM 50 CD1 LEU A 4 -12.777 -6.466 3.777 1.00 0.80 C ATOM 51 CD2 LEU A 4 -11.152 -6.615 5.643 1.00 1.75 C ATOM 0 HA LEU A 4 -10.493 -6.747 1.554 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -11.107 -8.648 3.810 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.589 -7.774 3.844 1.00 0.71 H new ATOM 0 HG LEU A 4 -10.836 -5.640 3.767 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.229 -5.608 4.274 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -12.878 -6.355 2.697 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -13.282 -7.378 4.097 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -11.654 -5.764 6.103 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -11.593 -7.540 6.014 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -10.092 -6.591 5.896 1.00 1.75 H new ATOM 63 N LEU A 5 -8.273 -7.765 1.276 1.00 0.55 N ATOM 64 CA LEU A 5 -6.954 -8.271 0.963 1.00 0.51 C ATOM 65 C LEU A 5 -6.155 -8.353 2.246 1.00 0.46 C ATOM 66 O LEU A 5 -6.467 -7.624 3.211 1.00 0.50 O ATOM 67 CB LEU A 5 -6.197 -7.398 -0.083 1.00 0.53 C ATOM 68 CG LEU A 5 -5.990 -5.889 0.234 1.00 0.62 C ATOM 69 CD1 LEU A 5 -4.725 -5.398 -0.450 1.00 0.66 C ATOM 70 CD2 LEU A 5 -7.156 -5.046 -0.284 1.00 0.95 C ATOM 0 H LEU A 5 -8.313 -6.747 1.316 1.00 0.55 H new ATOM 0 HA LEU A 5 -7.071 -9.256 0.511 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -5.215 -7.843 -0.241 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.735 -7.469 -1.028 1.00 0.53 H new ATOM 0 HG LEU A 5 -5.921 -5.785 1.317 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -4.579 -4.341 -0.229 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -3.870 -5.967 -0.085 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.818 -5.534 -1.528 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -6.980 -3.997 -0.046 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -7.239 -5.164 -1.364 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -8.081 -5.375 0.189 1.00 0.95 H new ATOM 82 N THR A 6 -5.148 -9.173 2.275 1.00 0.47 N ATOM 83 CA THR A 6 -4.366 -9.356 3.462 1.00 0.49 C ATOM 84 C THR A 6 -2.980 -8.688 3.378 1.00 0.40 C ATOM 85 O THR A 6 -2.672 -7.984 2.401 1.00 0.38 O ATOM 86 CB THR A 6 -4.262 -10.846 3.882 1.00 0.70 C ATOM 87 OG1 THR A 6 -3.753 -11.653 2.798 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.621 -11.381 4.324 1.00 0.93 C ATOM 0 H THR A 6 -4.845 -9.733 1.478 1.00 0.47 H new ATOM 0 HA THR A 6 -4.910 -8.840 4.253 1.00 0.49 H new ATOM 0 HB THR A 6 -3.568 -10.904 4.721 1.00 0.70 H new ATOM 0 HG1 THR A 6 -3.640 -11.095 2.000 1.00 0.82 H new ATOM 0 HG21 THR A 6 -5.523 -12.427 4.614 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.981 -10.801 5.174 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.330 -11.297 3.501 1.00 0.93 H new ATOM 96 N THR A 7 -2.141 -8.941 4.379 1.00 0.44 N ATOM 97 CA THR A 7 -0.835 -8.348 4.476 1.00 0.42 C ATOM 98 C THR A 7 0.082 -8.810 3.326 1.00 0.37 C ATOM 99 O THR A 7 0.844 -8.010 2.767 1.00 0.39 O ATOM 100 CB THR A 7 -0.185 -8.734 5.828 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.156 -8.575 6.898 1.00 0.58 O ATOM 102 CG2 THR A 7 1.009 -7.831 6.102 1.00 0.54 C ATOM 0 H THR A 7 -2.363 -9.573 5.148 1.00 0.44 H new ATOM 0 HA THR A 7 -0.954 -7.267 4.409 1.00 0.42 H new ATOM 0 HB THR A 7 0.145 -9.772 5.781 1.00 0.50 H new ATOM 0 HG1 THR A 7 -0.744 -8.821 7.753 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.463 -8.107 7.054 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.742 -7.945 5.304 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.678 -6.793 6.145 1.00 0.54 H new ATOM 110 N ASP A 8 -0.034 -10.079 2.944 1.00 0.41 N ATOM 111 CA ASP A 8 0.827 -10.649 1.907 1.00 0.46 C ATOM 112 C ASP A 8 0.508 -10.122 0.552 1.00 0.42 C ATOM 113 O ASP A 8 1.378 -10.048 -0.322 1.00 0.47 O ATOM 114 CB ASP A 8 0.844 -12.175 1.912 1.00 0.62 C ATOM 115 CG ASP A 8 1.769 -12.715 2.970 1.00 1.41 C ATOM 116 OD1 ASP A 8 1.321 -12.866 4.125 1.00 2.01 O ATOM 117 OD2 ASP A 8 2.929 -13.026 2.658 1.00 1.98 O ATOM 0 H ASP A 8 -0.713 -10.732 3.335 1.00 0.41 H new ATOM 0 HA ASP A 8 1.836 -10.322 2.160 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.165 -12.550 2.084 1.00 0.62 H new ATOM 0 HB3 ASP A 8 1.157 -12.539 0.934 1.00 0.62 H new ATOM 122 N ASP A 9 -0.715 -9.716 0.378 1.00 0.41 N ATOM 123 CA ASP A 9 -1.139 -9.130 -0.870 1.00 0.46 C ATOM 124 C ASP A 9 -0.471 -7.776 -1.019 1.00 0.40 C ATOM 125 O ASP A 9 0.048 -7.437 -2.087 1.00 0.46 O ATOM 126 CB ASP A 9 -2.659 -8.988 -0.917 1.00 0.54 C ATOM 127 CG ASP A 9 -3.374 -10.314 -0.739 1.00 0.98 C ATOM 128 OD1 ASP A 9 -3.429 -11.107 -1.721 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.928 -10.570 0.353 1.00 1.83 O ATOM 0 H ASP A 9 -1.445 -9.778 1.087 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.846 -9.779 -1.695 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -2.980 -8.298 -0.136 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.950 -8.548 -1.871 1.00 0.54 H new ATOM 134 N LEU A 10 -0.420 -7.042 0.084 1.00 0.36 N ATOM 135 CA LEU A 10 0.223 -5.736 0.137 1.00 0.35 C ATOM 136 C LEU A 10 1.738 -5.854 -0.073 1.00 0.33 C ATOM 137 O LEU A 10 2.309 -5.124 -0.881 1.00 0.36 O ATOM 138 CB LEU A 10 -0.092 -5.032 1.473 1.00 0.37 C ATOM 139 CG LEU A 10 0.550 -3.648 1.688 1.00 0.41 C ATOM 140 CD1 LEU A 10 0.128 -2.669 0.602 1.00 0.51 C ATOM 141 CD2 LEU A 10 0.181 -3.094 3.057 1.00 0.48 C ATOM 0 H LEU A 10 -0.826 -7.337 0.972 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.178 -5.130 -0.675 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.173 -4.923 1.555 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.225 -5.685 2.286 1.00 0.37 H new ATOM 0 HG LEU A 10 1.631 -3.774 1.635 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.597 -1.702 0.782 1.00 0.51 H new ATOM 0 HD12 LEU A 10 0.440 -3.049 -0.371 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -0.956 -2.555 0.617 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.644 -2.116 3.191 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -0.902 -2.996 3.130 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.537 -3.773 3.832 1.00 0.48 H new ATOM 153 N ARG A 11 2.380 -6.799 0.630 1.00 0.33 N ATOM 154 CA ARG A 11 3.837 -6.973 0.506 1.00 0.37 C ATOM 155 C ARG A 11 4.243 -7.350 -0.917 1.00 0.39 C ATOM 156 O ARG A 11 5.284 -6.938 -1.395 1.00 0.45 O ATOM 157 CB ARG A 11 4.438 -7.943 1.569 1.00 0.45 C ATOM 158 CG ARG A 11 3.862 -9.342 1.592 1.00 0.72 C ATOM 159 CD ARG A 11 4.501 -10.218 2.679 1.00 0.63 C ATOM 160 NE ARG A 11 5.899 -10.544 2.407 1.00 1.12 N ATOM 161 CZ ARG A 11 6.358 -11.799 2.211 1.00 1.36 C ATOM 162 NH1 ARG A 11 5.523 -12.844 2.261 1.00 1.47 N ATOM 163 NH2 ARG A 11 7.658 -11.999 1.985 1.00 2.27 N ATOM 0 H ARG A 11 1.926 -7.443 1.278 1.00 0.33 H new ATOM 0 HA ARG A 11 4.276 -5.999 0.721 1.00 0.37 H new ATOM 0 HB2 ARG A 11 5.512 -8.017 1.398 1.00 0.45 H new ATOM 0 HB3 ARG A 11 4.301 -7.499 2.555 1.00 0.45 H new ATOM 0 HG2 ARG A 11 2.786 -9.287 1.759 1.00 0.72 H new ATOM 0 HG3 ARG A 11 4.010 -9.809 0.618 1.00 0.72 H new ATOM 0 HD2 ARG A 11 4.435 -9.703 3.637 1.00 0.63 H new ATOM 0 HD3 ARG A 11 3.931 -11.142 2.774 1.00 0.63 H new ATOM 0 HE ARG A 11 6.570 -9.777 2.362 1.00 1.12 H new ATOM 0 HH11 ARG A 11 4.531 -12.696 2.448 1.00 1.47 H new ATOM 0 HH12 ARG A 11 5.878 -13.788 2.112 1.00 1.47 H new ATOM 0 HH21 ARG A 11 8.299 -11.206 1.961 1.00 2.27 H new ATOM 0 HH22 ARG A 11 8.010 -12.945 1.836 1.00 2.27 H new ATOM 177 N ARG A 12 3.395 -8.108 -1.600 1.00 0.40 N ATOM 178 CA ARG A 12 3.644 -8.463 -2.996 1.00 0.48 C ATOM 179 C ARG A 12 3.500 -7.244 -3.903 1.00 0.47 C ATOM 180 O ARG A 12 4.358 -6.986 -4.746 1.00 0.50 O ATOM 181 CB ARG A 12 2.688 -9.561 -3.471 1.00 0.56 C ATOM 182 CG ARG A 12 2.960 -10.954 -2.929 1.00 0.94 C ATOM 183 CD ARG A 12 1.857 -11.903 -3.361 1.00 1.18 C ATOM 184 NE ARG A 12 2.109 -13.310 -2.994 1.00 1.76 N ATOM 185 CZ ARG A 12 1.152 -14.179 -2.610 1.00 2.29 C ATOM 186 NH1 ARG A 12 -0.050 -13.733 -2.255 1.00 2.31 N ATOM 187 NH2 ARG A 12 1.419 -15.479 -2.553 1.00 3.30 N ATOM 0 H ARG A 12 2.531 -8.489 -1.214 1.00 0.40 H new ATOM 0 HA ARG A 12 4.666 -8.836 -3.054 1.00 0.48 H new ATOM 0 HB2 ARG A 12 1.672 -9.276 -3.196 1.00 0.56 H new ATOM 0 HB3 ARG A 12 2.724 -9.602 -4.560 1.00 0.56 H new ATOM 0 HG2 ARG A 12 3.923 -11.313 -3.292 1.00 0.94 H new ATOM 0 HG3 ARG A 12 3.021 -10.925 -1.841 1.00 0.94 H new ATOM 0 HD2 ARG A 12 0.917 -11.582 -2.912 1.00 1.18 H new ATOM 0 HD3 ARG A 12 1.734 -11.835 -4.442 1.00 1.18 H new ATOM 0 HE ARG A 12 3.071 -13.648 -3.033 1.00 1.76 H new ATOM 0 HH11 ARG A 12 -0.249 -12.733 -2.273 1.00 2.31 H new ATOM 0 HH12 ARG A 12 -0.773 -14.391 -1.965 1.00 2.31 H new ATOM 0 HH21 ARG A 12 2.348 -15.820 -2.800 1.00 3.30 H new ATOM 0 HH22 ARG A 12 0.695 -16.136 -2.262 1.00 3.30 H new ATOM 201 N ALA A 13 2.435 -6.474 -3.686 1.00 0.47 N ATOM 202 CA ALA A 13 2.135 -5.309 -4.514 1.00 0.53 C ATOM 203 C ALA A 13 3.199 -4.212 -4.384 1.00 0.46 C ATOM 204 O ALA A 13 3.430 -3.450 -5.323 1.00 0.48 O ATOM 205 CB ALA A 13 0.764 -4.762 -4.190 1.00 0.63 C ATOM 0 H ALA A 13 1.762 -6.639 -2.938 1.00 0.47 H new ATOM 0 HA ALA A 13 2.145 -5.644 -5.551 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.561 -3.895 -4.818 1.00 0.63 H new ATOM 0 HB2 ALA A 13 0.013 -5.529 -4.377 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.728 -4.467 -3.141 1.00 0.63 H new ATOM 211 N LEU A 14 3.856 -4.154 -3.238 1.00 0.42 N ATOM 212 CA LEU A 14 4.904 -3.167 -3.017 1.00 0.39 C ATOM 213 C LEU A 14 6.142 -3.524 -3.850 1.00 0.40 C ATOM 214 O LEU A 14 6.900 -2.652 -4.259 1.00 0.46 O ATOM 215 CB LEU A 14 5.266 -3.091 -1.527 1.00 0.45 C ATOM 216 CG LEU A 14 6.205 -1.945 -1.100 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.544 -0.586 -1.305 1.00 0.44 C ATOM 218 CD2 LEU A 14 6.623 -2.107 0.344 1.00 1.00 C ATOM 0 H LEU A 14 3.685 -4.776 -2.448 1.00 0.42 H new ATOM 0 HA LEU A 14 4.537 -2.190 -3.330 1.00 0.39 H new ATOM 0 HB2 LEU A 14 4.341 -3.004 -0.956 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.729 -4.035 -1.241 1.00 0.45 H new ATOM 0 HG LEU A 14 7.093 -1.992 -1.730 1.00 0.54 H new ATOM 0 HD11 LEU A 14 6.230 0.203 -0.995 1.00 0.44 H new ATOM 0 HD12 LEU A 14 5.295 -0.458 -2.358 1.00 0.44 H new ATOM 0 HD13 LEU A 14 4.634 -0.530 -0.708 1.00 0.44 H new ATOM 0 HD21 LEU A 14 7.285 -1.288 0.625 1.00 1.00 H new ATOM 0 HD22 LEU A 14 5.739 -2.095 0.982 1.00 1.00 H new ATOM 0 HD23 LEU A 14 7.146 -3.055 0.467 1.00 1.00 H new ATOM 230 N VAL A 15 6.306 -4.805 -4.132 1.00 0.44 N ATOM 231 CA VAL A 15 7.433 -5.277 -4.916 1.00 0.53 C ATOM 232 C VAL A 15 7.191 -5.016 -6.414 1.00 0.55 C ATOM 233 O VAL A 15 8.139 -4.775 -7.164 1.00 0.64 O ATOM 234 CB VAL A 15 7.741 -6.784 -4.654 1.00 0.61 C ATOM 235 CG1 VAL A 15 8.953 -7.258 -5.456 1.00 0.74 C ATOM 236 CG2 VAL A 15 7.982 -7.015 -3.177 1.00 0.64 C ATOM 0 H VAL A 15 5.668 -5.540 -3.827 1.00 0.44 H new ATOM 0 HA VAL A 15 8.312 -4.715 -4.600 1.00 0.53 H new ATOM 0 HB VAL A 15 6.875 -7.361 -4.978 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.137 -8.312 -5.248 1.00 0.74 H new ATOM 0 HG12 VAL A 15 8.759 -7.127 -6.521 1.00 0.74 H new ATOM 0 HG13 VAL A 15 9.828 -6.674 -5.172 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.196 -8.070 -3.004 1.00 0.64 H new ATOM 0 HG22 VAL A 15 8.830 -6.414 -2.848 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.094 -6.728 -2.614 1.00 0.64 H new ATOM 246 N GLU A 16 5.911 -4.982 -6.812 1.00 0.59 N ATOM 247 CA GLU A 16 5.511 -4.690 -8.208 1.00 0.69 C ATOM 248 C GLU A 16 6.094 -3.352 -8.670 1.00 0.65 C ATOM 249 O GLU A 16 6.600 -3.226 -9.785 1.00 0.77 O ATOM 250 CB GLU A 16 3.980 -4.611 -8.341 1.00 0.89 C ATOM 251 CG GLU A 16 3.228 -5.919 -8.152 1.00 1.11 C ATOM 252 CD GLU A 16 3.486 -6.926 -9.265 1.00 1.54 C ATOM 253 OE1 GLU A 16 3.614 -6.505 -10.439 1.00 1.95 O ATOM 254 OE2 GLU A 16 3.499 -8.133 -8.979 1.00 2.18 O ATOM 0 H GLU A 16 5.125 -5.154 -6.185 1.00 0.59 H new ATOM 0 HA GLU A 16 5.895 -5.502 -8.826 1.00 0.69 H new ATOM 0 HB2 GLU A 16 3.608 -3.892 -7.611 1.00 0.89 H new ATOM 0 HB3 GLU A 16 3.740 -4.216 -9.328 1.00 0.89 H new ATOM 0 HG2 GLU A 16 3.515 -6.361 -7.198 1.00 1.11 H new ATOM 0 HG3 GLU A 16 2.159 -5.712 -8.099 1.00 1.11 H new ATOM 261 N SER A 17 6.009 -2.361 -7.810 1.00 0.59 N ATOM 262 CA SER A 17 6.523 -1.051 -8.108 1.00 0.64 C ATOM 263 C SER A 17 8.061 -0.983 -8.007 1.00 0.74 C ATOM 264 O SER A 17 8.691 -0.149 -8.655 1.00 1.04 O ATOM 265 CB SER A 17 5.834 -0.027 -7.201 1.00 0.68 C ATOM 266 OG SER A 17 5.669 -0.544 -5.870 1.00 1.27 O ATOM 0 H SER A 17 5.582 -2.445 -6.888 1.00 0.59 H new ATOM 0 HA SER A 17 6.295 -0.813 -9.147 1.00 0.64 H new ATOM 0 HB2 SER A 17 6.423 0.889 -7.168 1.00 0.68 H new ATOM 0 HB3 SER A 17 4.861 0.235 -7.616 1.00 0.68 H new ATOM 0 HG SER A 17 5.148 0.090 -5.335 1.00 1.27 H new ATOM 272 N ALA A 18 8.642 -1.912 -7.256 1.00 0.70 N ATOM 273 CA ALA A 18 10.082 -1.917 -7.003 1.00 0.87 C ATOM 274 C ALA A 18 10.883 -2.459 -8.195 1.00 1.05 C ATOM 275 O ALA A 18 11.645 -1.716 -8.819 1.00 1.57 O ATOM 276 CB ALA A 18 10.414 -2.668 -5.712 1.00 0.95 C ATOM 0 H ALA A 18 8.136 -2.676 -6.809 1.00 0.70 H new ATOM 0 HA ALA A 18 10.386 -0.878 -6.872 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.492 -2.655 -5.550 1.00 0.95 H new ATOM 0 HB2 ALA A 18 9.915 -2.185 -4.872 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.072 -3.700 -5.793 1.00 0.95 H new ATOM 400 N ASP A 29 7.329 -8.177 9.751 1.00 0.90 N ATOM 401 CA ASP A 29 6.221 -7.255 9.968 1.00 0.83 C ATOM 402 C ASP A 29 6.610 -5.808 9.727 1.00 0.79 C ATOM 403 O ASP A 29 7.065 -5.099 10.623 1.00 1.33 O ATOM 404 CB ASP A 29 5.574 -7.437 11.339 1.00 1.20 C ATOM 405 CG ASP A 29 4.822 -8.746 11.444 1.00 1.95 C ATOM 406 OD1 ASP A 29 3.622 -8.791 11.089 1.00 2.44 O ATOM 407 OD2 ASP A 29 5.415 -9.745 11.889 1.00 2.68 O ATOM 0 HA ASP A 29 5.470 -7.511 9.220 1.00 0.83 H new ATOM 0 HB2 ASP A 29 6.343 -7.398 12.110 1.00 1.20 H new ATOM 0 HB3 ASP A 29 4.890 -6.610 11.529 1.00 1.20 H new ATOM 412 N PHE A 30 6.450 -5.394 8.490 1.00 0.42 N ATOM 413 CA PHE A 30 6.746 -4.066 8.021 1.00 0.36 C ATOM 414 C PHE A 30 5.579 -3.126 8.263 1.00 0.32 C ATOM 415 O PHE A 30 5.649 -1.959 7.941 1.00 0.35 O ATOM 416 CB PHE A 30 7.045 -4.120 6.518 1.00 0.37 C ATOM 417 CG PHE A 30 5.865 -4.585 5.657 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.572 -5.934 5.506 1.00 0.40 C ATOM 419 CD2 PHE A 30 5.055 -3.666 5.008 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.500 -6.347 4.736 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.986 -4.079 4.236 1.00 0.42 C ATOM 422 CZ PHE A 30 3.710 -5.416 4.102 1.00 0.46 C ATOM 0 H PHE A 30 6.094 -6.004 7.754 1.00 0.42 H new ATOM 0 HA PHE A 30 7.610 -3.691 8.569 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.355 -3.129 6.185 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.888 -4.790 6.351 1.00 0.37 H new ATOM 0 HD1 PHE A 30 6.190 -6.671 5.997 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.263 -2.611 5.107 1.00 0.38 H new ATOM 0 HE1 PHE A 30 4.283 -7.400 4.632 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.367 -3.348 3.737 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.873 -5.737 3.499 1.00 0.46 H new ATOM 432 N LEU A 31 4.512 -3.639 8.829 1.00 0.35 N ATOM 433 CA LEU A 31 3.323 -2.834 9.062 1.00 0.36 C ATOM 434 C LEU A 31 3.577 -1.731 10.076 1.00 0.39 C ATOM 435 O LEU A 31 2.917 -0.708 10.048 1.00 0.46 O ATOM 436 CB LEU A 31 2.151 -3.711 9.501 1.00 0.40 C ATOM 437 CG LEU A 31 1.665 -4.735 8.469 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.539 -5.566 9.041 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.214 -4.047 7.183 1.00 0.38 C ATOM 0 H LEU A 31 4.437 -4.608 9.138 1.00 0.35 H new ATOM 0 HA LEU A 31 3.064 -2.356 8.117 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.439 -4.244 10.407 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.315 -3.063 9.765 1.00 0.40 H new ATOM 0 HG LEU A 31 2.500 -5.392 8.227 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.205 -6.288 8.296 1.00 0.45 H new ATOM 0 HD12 LEU A 31 0.891 -6.095 9.927 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.292 -4.915 9.313 1.00 0.45 H new ATOM 0 HD21 LEU A 31 0.874 -4.797 6.469 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.397 -3.361 7.405 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.049 -3.491 6.756 1.00 0.38 H new ATOM 451 N ASP A 32 4.565 -1.936 10.936 1.00 0.43 N ATOM 452 CA ASP A 32 4.921 -0.959 11.974 1.00 0.52 C ATOM 453 C ASP A 32 6.245 -0.284 11.577 1.00 0.50 C ATOM 454 O ASP A 32 6.876 0.437 12.338 1.00 0.66 O ATOM 455 CB ASP A 32 5.023 -1.671 13.333 1.00 0.69 C ATOM 456 CG ASP A 32 5.057 -0.717 14.515 1.00 1.46 C ATOM 457 OD1 ASP A 32 4.038 0.005 14.739 1.00 1.95 O ATOM 458 OD2 ASP A 32 6.062 -0.714 15.263 1.00 2.20 O ATOM 0 H ASP A 32 5.143 -2.776 10.940 1.00 0.43 H new ATOM 0 HA ASP A 32 4.155 -0.188 12.064 1.00 0.52 H new ATOM 0 HB2 ASP A 32 4.175 -2.346 13.445 1.00 0.69 H new ATOM 0 HB3 ASP A 32 5.923 -2.285 13.346 1.00 0.69 H new ATOM 463 N LEU A 33 6.632 -0.530 10.343 1.00 0.42 N ATOM 464 CA LEU A 33 7.814 0.044 9.749 1.00 0.50 C ATOM 465 C LEU A 33 7.421 1.301 8.979 1.00 0.45 C ATOM 466 O LEU A 33 6.251 1.511 8.702 1.00 0.57 O ATOM 467 CB LEU A 33 8.499 -1.001 8.832 1.00 0.66 C ATOM 468 CG LEU A 33 9.315 -2.102 9.521 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.973 -2.989 8.480 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.372 -1.502 10.428 1.00 1.18 C ATOM 0 H LEU A 33 6.120 -1.149 9.714 1.00 0.42 H new ATOM 0 HA LEU A 33 8.531 0.324 10.521 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.728 -1.479 8.227 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.158 -0.469 8.146 1.00 0.66 H new ATOM 0 HG LEU A 33 8.637 -2.701 10.129 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.550 -3.768 8.978 1.00 1.52 H new ATOM 0 HD12 LEU A 33 9.206 -3.448 7.856 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.636 -2.389 7.857 1.00 1.52 H new ATOM 0 HD21 LEU A 33 10.938 -2.302 10.906 1.00 1.18 H new ATOM 0 HD22 LEU A 33 11.047 -0.881 9.839 1.00 1.18 H new ATOM 0 HD23 LEU A 33 9.891 -0.891 11.192 1.00 1.18 H new ATOM 482 N ARG A 34 8.373 2.127 8.638 1.00 0.43 N ATOM 483 CA ARG A 34 8.070 3.375 7.951 1.00 0.42 C ATOM 484 C ARG A 34 8.385 3.249 6.482 1.00 0.36 C ATOM 485 O ARG A 34 9.298 2.510 6.110 1.00 0.45 O ATOM 486 CB ARG A 34 8.868 4.537 8.536 1.00 0.58 C ATOM 487 CG ARG A 34 8.486 4.930 9.945 1.00 0.77 C ATOM 488 CD ARG A 34 9.349 6.086 10.427 1.00 1.08 C ATOM 489 NE ARG A 34 10.777 5.717 10.537 1.00 1.82 N ATOM 490 CZ ARG A 34 11.809 6.579 10.410 1.00 2.41 C ATOM 491 NH1 ARG A 34 11.613 7.805 9.928 1.00 2.43 N ATOM 492 NH2 ARG A 34 13.042 6.183 10.670 1.00 3.44 N ATOM 0 H ARG A 34 9.364 1.969 8.819 1.00 0.43 H new ATOM 0 HA ARG A 34 7.007 3.577 8.086 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.926 4.275 8.522 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.746 5.405 7.887 1.00 0.58 H new ATOM 0 HG2 ARG A 34 7.434 5.215 9.977 1.00 0.77 H new ATOM 0 HG3 ARG A 34 8.605 4.076 10.612 1.00 0.77 H new ATOM 0 HD2 ARG A 34 9.245 6.925 9.738 1.00 1.08 H new ATOM 0 HD3 ARG A 34 8.988 6.425 11.398 1.00 1.08 H new ATOM 0 HE ARG A 34 10.999 4.739 10.723 1.00 1.82 H new ATOM 0 HH11 ARG A 34 10.677 8.100 9.651 1.00 2.43 H new ATOM 0 HH12 ARG A 34 12.399 8.449 9.836 1.00 2.43 H new ATOM 0 HH21 ARG A 34 13.217 5.223 10.968 1.00 3.44 H new ATOM 0 HH22 ARG A 34 13.819 6.837 10.573 1.00 3.44 H new ATOM 506 N PHE A 35 7.657 3.979 5.653 1.00 0.33 N ATOM 507 CA PHE A 35 7.916 3.998 4.203 1.00 0.33 C ATOM 508 C PHE A 35 9.323 4.564 3.931 1.00 0.38 C ATOM 509 O PHE A 35 10.009 4.162 2.986 1.00 0.43 O ATOM 510 CB PHE A 35 6.854 4.840 3.475 1.00 0.34 C ATOM 511 CG PHE A 35 5.445 4.315 3.610 1.00 0.36 C ATOM 512 CD1 PHE A 35 5.103 3.063 3.107 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.453 5.069 4.236 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.812 2.584 3.223 1.00 0.50 C ATOM 515 CE2 PHE A 35 3.165 4.587 4.349 1.00 0.48 C ATOM 516 CZ PHE A 35 2.848 3.349 3.843 1.00 0.51 C ATOM 0 H PHE A 35 6.880 4.570 5.949 1.00 0.33 H new ATOM 0 HA PHE A 35 7.863 2.977 3.824 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.888 5.859 3.861 1.00 0.34 H new ATOM 0 HB3 PHE A 35 7.110 4.891 2.417 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.855 2.459 2.621 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.696 6.042 4.637 1.00 0.40 H new ATOM 0 HE1 PHE A 35 3.559 1.611 2.828 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.406 5.182 4.835 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.839 2.974 3.932 1.00 0.51 H new ATOM 526 N GLU A 36 9.744 5.462 4.811 1.00 0.48 N ATOM 527 CA GLU A 36 11.060 6.104 4.761 1.00 0.62 C ATOM 528 C GLU A 36 12.190 5.071 4.851 1.00 0.63 C ATOM 529 O GLU A 36 13.114 5.083 4.049 1.00 0.72 O ATOM 530 CB GLU A 36 11.201 7.052 5.945 1.00 0.83 C ATOM 531 CG GLU A 36 10.139 8.127 6.042 1.00 1.40 C ATOM 532 CD GLU A 36 10.301 8.944 7.296 1.00 1.83 C ATOM 533 OE1 GLU A 36 11.122 9.889 7.308 1.00 1.89 O ATOM 534 OE2 GLU A 36 9.648 8.619 8.310 1.00 2.73 O ATOM 0 H GLU A 36 9.173 5.774 5.597 1.00 0.48 H new ATOM 0 HA GLU A 36 11.135 6.637 3.813 1.00 0.62 H new ATOM 0 HB2 GLU A 36 11.186 6.465 6.863 1.00 0.83 H new ATOM 0 HB3 GLU A 36 12.178 7.533 5.890 1.00 0.83 H new ATOM 0 HG2 GLU A 36 10.198 8.779 5.170 1.00 1.40 H new ATOM 0 HG3 GLU A 36 9.151 7.667 6.030 1.00 1.40 H new ATOM 541 N ASP A 37 12.063 4.153 5.815 1.00 0.61 N ATOM 542 CA ASP A 37 13.126 3.173 6.132 1.00 0.70 C ATOM 543 C ASP A 37 13.346 2.223 4.948 1.00 0.69 C ATOM 544 O ASP A 37 14.472 1.865 4.619 1.00 0.82 O ATOM 545 CB ASP A 37 12.750 2.384 7.418 1.00 0.77 C ATOM 546 CG ASP A 37 13.901 1.560 8.008 1.00 0.98 C ATOM 547 OD1 ASP A 37 14.658 2.109 8.857 1.00 1.27 O ATOM 548 OD2 ASP A 37 14.032 0.372 7.685 1.00 1.36 O ATOM 0 H ASP A 37 11.231 4.062 6.397 1.00 0.61 H new ATOM 0 HA ASP A 37 14.060 3.705 6.314 1.00 0.70 H new ATOM 0 HB2 ASP A 37 12.397 3.087 8.172 1.00 0.77 H new ATOM 0 HB3 ASP A 37 11.919 1.716 7.191 1.00 0.77 H new ATOM 553 N ILE A 38 12.257 1.897 4.252 1.00 0.59 N ATOM 554 CA ILE A 38 12.328 0.984 3.114 1.00 0.63 C ATOM 555 C ILE A 38 12.603 1.706 1.785 1.00 0.63 C ATOM 556 O ILE A 38 12.565 1.093 0.716 1.00 0.66 O ATOM 557 CB ILE A 38 11.072 0.072 2.992 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.795 0.922 2.851 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.975 -0.862 4.198 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.517 0.120 2.717 1.00 0.54 C ATOM 0 H ILE A 38 11.322 2.249 4.455 1.00 0.59 H new ATOM 0 HA ILE A 38 13.183 0.341 3.321 1.00 0.63 H new ATOM 0 HB ILE A 38 11.171 -0.537 2.094 1.00 0.59 H new ATOM 0 HG12 ILE A 38 9.710 1.574 3.720 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.898 1.567 1.978 1.00 0.48 H new ATOM 0 HG21 ILE A 38 10.092 -1.494 4.099 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.866 -1.488 4.246 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.898 -0.271 5.111 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.670 0.799 2.623 1.00 0.54 H new ATOM 0 HD12 ILE A 38 8.575 -0.512 1.831 1.00 0.54 H new ATOM 0 HD13 ILE A 38 8.385 -0.505 3.600 1.00 0.54 H new ATOM 572 N GLY A 39 12.945 2.994 1.875 1.00 0.63 N ATOM 573 CA GLY A 39 13.315 3.775 0.700 1.00 0.68 C ATOM 574 C GLY A 39 12.167 4.067 -0.259 1.00 0.59 C ATOM 575 O GLY A 39 12.348 4.015 -1.478 1.00 0.70 O ATOM 0 H GLY A 39 12.972 3.515 2.752 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.744 4.721 1.030 1.00 0.68 H new ATOM 0 HA3 GLY A 39 14.096 3.242 0.158 1.00 0.68 H new ATOM 579 N TYR A 40 11.003 4.363 0.272 1.00 0.45 N ATOM 580 CA TYR A 40 9.865 4.711 -0.556 1.00 0.45 C ATOM 581 C TYR A 40 9.390 6.125 -0.350 1.00 0.47 C ATOM 582 O TYR A 40 8.940 6.484 0.743 1.00 0.62 O ATOM 583 CB TYR A 40 8.683 3.742 -0.385 1.00 0.42 C ATOM 584 CG TYR A 40 8.737 2.524 -1.277 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.386 1.355 -0.902 1.00 0.53 C ATOM 586 CD2 TYR A 40 8.122 2.562 -2.512 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.415 0.263 -1.750 1.00 0.60 C ATOM 588 CE2 TYR A 40 8.143 1.490 -3.359 1.00 0.68 C ATOM 589 CZ TYR A 40 8.786 0.343 -2.983 1.00 0.67 C ATOM 590 OH TYR A 40 8.796 -0.725 -3.837 1.00 0.78 O ATOM 0 H TYR A 40 10.816 4.371 1.275 1.00 0.45 H new ATOM 0 HA TYR A 40 10.238 4.625 -1.577 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.646 3.414 0.654 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.756 4.281 -0.583 1.00 0.42 H new ATOM 0 HD1 TYR A 40 9.872 1.298 0.061 1.00 0.53 H new ATOM 0 HD2 TYR A 40 7.611 3.463 -2.817 1.00 0.57 H new ATOM 0 HE1 TYR A 40 9.923 -0.643 -1.455 1.00 0.60 H new ATOM 0 HE2 TYR A 40 7.654 1.548 -4.320 1.00 0.68 H new ATOM 0 HH TYR A 40 7.959 -1.226 -3.744 1.00 0.78 H new ATOM 600 N ASP A 41 9.509 6.934 -1.394 1.00 0.55 N ATOM 601 CA ASP A 41 8.920 8.268 -1.391 1.00 0.69 C ATOM 602 C ASP A 41 7.461 8.093 -1.751 1.00 0.85 C ATOM 603 O ASP A 41 7.038 7.002 -2.186 1.00 1.62 O ATOM 604 CB ASP A 41 9.514 9.226 -2.472 1.00 0.82 C ATOM 605 CG ASP A 41 11.016 9.424 -2.451 1.00 0.99 C ATOM 606 OD1 ASP A 41 11.719 8.571 -2.985 1.00 1.32 O ATOM 607 OD2 ASP A 41 11.493 10.472 -1.966 1.00 1.27 O ATOM 0 H ASP A 41 10.006 6.692 -2.251 1.00 0.55 H new ATOM 0 HA ASP A 41 9.109 8.706 -0.411 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.234 8.846 -3.455 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.040 10.201 -2.360 1.00 0.82 H new ATOM 612 N SER A 42 6.724 9.161 -1.685 1.00 0.50 N ATOM 613 CA SER A 42 5.313 9.172 -2.012 1.00 0.53 C ATOM 614 C SER A 42 5.105 8.902 -3.515 1.00 0.51 C ATOM 615 O SER A 42 4.110 8.313 -3.925 1.00 0.48 O ATOM 616 CB SER A 42 4.785 10.532 -1.637 1.00 0.69 C ATOM 617 OG SER A 42 5.747 11.510 -2.134 1.00 1.05 O ATOM 0 H SER A 42 7.085 10.071 -1.398 1.00 0.50 H new ATOM 0 HA SER A 42 4.782 8.390 -1.469 1.00 0.53 H new ATOM 0 HB2 SER A 42 3.802 10.699 -2.076 1.00 0.69 H new ATOM 0 HB3 SER A 42 4.670 10.618 -0.556 1.00 0.69 H new ATOM 0 HG SER A 42 5.439 12.414 -1.912 1.00 1.05 H new ATOM 622 N LEU A 43 6.098 9.324 -4.309 1.00 0.57 N ATOM 623 CA LEU A 43 6.119 9.138 -5.765 1.00 0.62 C ATOM 624 C LEU A 43 5.947 7.673 -6.132 1.00 0.56 C ATOM 625 O LEU A 43 5.059 7.309 -6.888 1.00 0.58 O ATOM 626 CB LEU A 43 7.444 9.719 -6.346 1.00 0.74 C ATOM 627 CG LEU A 43 7.741 9.495 -7.849 1.00 0.86 C ATOM 628 CD1 LEU A 43 8.549 10.658 -8.394 1.00 1.40 C ATOM 629 CD2 LEU A 43 8.548 8.209 -8.066 1.00 1.19 C ATOM 0 H LEU A 43 6.920 9.811 -3.953 1.00 0.57 H new ATOM 0 HA LEU A 43 5.280 9.678 -6.204 1.00 0.62 H new ATOM 0 HB2 LEU A 43 7.446 10.793 -6.162 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.272 9.297 -5.776 1.00 0.74 H new ATOM 0 HG LEU A 43 6.785 9.415 -8.367 1.00 0.86 H new ATOM 0 HD11 LEU A 43 8.755 10.494 -9.452 1.00 1.40 H new ATOM 0 HD12 LEU A 43 7.984 11.582 -8.273 1.00 1.40 H new ATOM 0 HD13 LEU A 43 9.490 10.734 -7.849 1.00 1.40 H new ATOM 0 HD21 LEU A 43 8.742 8.077 -9.130 1.00 1.19 H new ATOM 0 HD22 LEU A 43 9.495 8.279 -7.530 1.00 1.19 H new ATOM 0 HD23 LEU A 43 7.981 7.356 -7.692 1.00 1.19 H new ATOM 641 N ALA A 44 6.794 6.845 -5.563 1.00 0.54 N ATOM 642 CA ALA A 44 6.785 5.421 -5.831 1.00 0.54 C ATOM 643 C ALA A 44 5.610 4.767 -5.136 1.00 0.47 C ATOM 644 O ALA A 44 5.076 3.764 -5.597 1.00 0.53 O ATOM 645 CB ALA A 44 8.098 4.808 -5.385 1.00 0.59 C ATOM 0 H ALA A 44 7.511 7.139 -4.900 1.00 0.54 H new ATOM 0 HA ALA A 44 6.675 5.254 -6.903 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.087 3.737 -5.588 1.00 0.59 H new ATOM 0 HB2 ALA A 44 8.920 5.272 -5.930 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.232 4.973 -4.316 1.00 0.59 H new ATOM 651 N LEU A 45 5.183 5.383 -4.047 1.00 0.42 N ATOM 652 CA LEU A 45 4.082 4.885 -3.269 1.00 0.38 C ATOM 653 C LEU A 45 2.776 5.014 -4.075 1.00 0.37 C ATOM 654 O LEU A 45 1.896 4.150 -3.957 1.00 0.39 O ATOM 655 CB LEU A 45 4.028 5.625 -1.927 1.00 0.35 C ATOM 656 CG LEU A 45 3.477 4.845 -0.726 1.00 0.37 C ATOM 657 CD1 LEU A 45 3.757 5.599 0.556 1.00 0.38 C ATOM 658 CD2 LEU A 45 1.991 4.577 -0.850 1.00 0.53 C ATOM 0 H LEU A 45 5.596 6.242 -3.684 1.00 0.42 H new ATOM 0 HA LEU A 45 4.218 3.826 -3.049 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.037 5.957 -1.682 1.00 0.35 H new ATOM 0 HB3 LEU A 45 3.420 6.521 -2.058 1.00 0.35 H new ATOM 0 HG LEU A 45 3.985 3.881 -0.706 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.362 5.037 1.402 1.00 0.38 H new ATOM 0 HD12 LEU A 45 4.833 5.727 0.676 1.00 0.38 H new ATOM 0 HD13 LEU A 45 3.278 6.577 0.515 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.647 4.023 0.023 1.00 0.53 H new ATOM 0 HD22 LEU A 45 1.455 5.524 -0.913 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.801 3.991 -1.749 1.00 0.53 H new ATOM 670 N MET A 46 2.642 6.088 -4.921 1.00 0.37 N ATOM 671 CA MET A 46 1.459 6.179 -5.814 1.00 0.40 C ATOM 672 C MET A 46 1.320 4.915 -6.654 1.00 0.35 C ATOM 673 O MET A 46 0.248 4.303 -6.707 1.00 0.36 O ATOM 674 CB MET A 46 1.517 7.356 -6.779 1.00 0.52 C ATOM 675 CG MET A 46 1.665 8.713 -6.157 1.00 0.70 C ATOM 676 SD MET A 46 1.299 10.020 -7.352 1.00 0.96 S ATOM 677 CE MET A 46 2.372 9.551 -8.724 1.00 2.41 C ATOM 0 H MET A 46 3.306 6.859 -4.996 1.00 0.37 H new ATOM 0 HA MET A 46 0.608 6.314 -5.146 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.352 7.199 -7.462 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.608 7.352 -7.380 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.995 8.800 -5.302 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.680 8.835 -5.780 1.00 0.70 H new ATOM 0 HE1 MET A 46 2.462 10.387 -9.417 1.00 2.41 H new ATOM 0 HE2 MET A 46 3.358 9.289 -8.341 1.00 2.41 H new ATOM 0 HE3 MET A 46 1.945 8.693 -9.243 1.00 2.41 H new ATOM 687 N GLU A 47 2.432 4.527 -7.278 1.00 0.37 N ATOM 688 CA GLU A 47 2.509 3.358 -8.144 1.00 0.39 C ATOM 689 C GLU A 47 2.105 2.070 -7.417 1.00 0.37 C ATOM 690 O GLU A 47 1.472 1.189 -8.006 1.00 0.43 O ATOM 691 CB GLU A 47 3.906 3.240 -8.735 1.00 0.48 C ATOM 692 CG GLU A 47 4.251 4.352 -9.731 1.00 0.68 C ATOM 693 CD GLU A 47 3.315 4.350 -10.933 1.00 1.41 C ATOM 694 OE1 GLU A 47 3.297 3.372 -11.704 1.00 1.84 O ATOM 695 OE2 GLU A 47 2.605 5.365 -11.130 1.00 2.15 O ATOM 0 H GLU A 47 3.317 5.026 -7.192 1.00 0.37 H new ATOM 0 HA GLU A 47 1.792 3.495 -8.954 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.635 3.251 -7.925 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.999 2.276 -9.234 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.196 5.318 -9.230 1.00 0.68 H new ATOM 0 HG3 GLU A 47 5.279 4.228 -10.071 1.00 0.68 H new ATOM 702 N THR A 48 2.460 1.971 -6.147 1.00 0.36 N ATOM 703 CA THR A 48 2.082 0.843 -5.319 1.00 0.39 C ATOM 704 C THR A 48 0.549 0.807 -5.157 1.00 0.35 C ATOM 705 O THR A 48 -0.105 -0.187 -5.509 1.00 0.40 O ATOM 706 CB THR A 48 2.740 0.986 -3.935 1.00 0.43 C ATOM 707 OG1 THR A 48 4.159 1.145 -4.096 1.00 0.51 O ATOM 708 CG2 THR A 48 2.452 -0.239 -3.068 1.00 0.51 C ATOM 0 H THR A 48 3.019 2.673 -5.662 1.00 0.36 H new ATOM 0 HA THR A 48 2.415 -0.081 -5.791 1.00 0.39 H new ATOM 0 HB THR A 48 2.324 1.863 -3.438 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.560 1.396 -3.238 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.927 -0.116 -2.095 1.00 0.51 H new ATOM 0 HG22 THR A 48 1.375 -0.346 -2.936 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.848 -1.130 -3.555 1.00 0.51 H new ATOM 716 N ALA A 49 -0.011 1.905 -4.656 1.00 0.31 N ATOM 717 CA ALA A 49 -1.448 2.014 -4.386 1.00 0.32 C ATOM 718 C ALA A 49 -2.280 1.784 -5.653 1.00 0.30 C ATOM 719 O ALA A 49 -3.307 1.088 -5.617 1.00 0.32 O ATOM 720 CB ALA A 49 -1.761 3.367 -3.759 1.00 0.38 C ATOM 0 H ALA A 49 0.516 2.747 -4.424 1.00 0.31 H new ATOM 0 HA ALA A 49 -1.722 1.231 -3.679 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.831 3.438 -3.562 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.212 3.470 -2.823 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.464 4.162 -4.443 1.00 0.38 H new ATOM 726 N ALA A 50 -1.784 2.308 -6.779 1.00 0.29 N ATOM 727 CA ALA A 50 -2.455 2.188 -8.072 1.00 0.31 C ATOM 728 C ALA A 50 -2.675 0.730 -8.460 1.00 0.31 C ATOM 729 O ALA A 50 -3.689 0.381 -9.089 1.00 0.35 O ATOM 730 CB ALA A 50 -1.652 2.891 -9.150 1.00 0.39 C ATOM 0 H ALA A 50 -0.906 2.826 -6.817 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.432 2.663 -7.979 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.164 2.793 -10.107 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -1.551 3.947 -8.899 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -0.663 2.439 -9.220 1.00 0.39 H new ATOM 736 N ARG A 51 -1.749 -0.140 -8.055 1.00 0.32 N ATOM 737 CA ARG A 51 -1.840 -1.570 -8.382 1.00 0.38 C ATOM 738 C ARG A 51 -3.011 -2.204 -7.640 1.00 0.37 C ATOM 739 O ARG A 51 -3.756 -3.009 -8.200 1.00 0.47 O ATOM 740 CB ARG A 51 -0.541 -2.313 -8.024 1.00 0.49 C ATOM 741 CG ARG A 51 0.714 -1.728 -8.659 1.00 0.97 C ATOM 742 CD ARG A 51 0.646 -1.744 -10.184 1.00 0.98 C ATOM 743 NE ARG A 51 1.822 -1.100 -10.788 1.00 1.92 N ATOM 744 CZ ARG A 51 2.232 -1.255 -12.058 1.00 2.31 C ATOM 745 NH1 ARG A 51 1.554 -2.047 -12.901 1.00 2.05 N ATOM 746 NH2 ARG A 51 3.315 -0.617 -12.481 1.00 3.40 N ATOM 0 H ARG A 51 -0.930 0.115 -7.503 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.997 -1.655 -9.457 1.00 0.38 H new ATOM 0 HB2 ARG A 51 -0.421 -2.309 -6.941 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.637 -3.355 -8.330 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.851 -0.703 -8.313 1.00 0.97 H new ATOM 0 HG3 ARG A 51 1.585 -2.295 -8.329 1.00 0.97 H new ATOM 0 HD2 ARG A 51 0.575 -2.774 -10.534 1.00 0.98 H new ATOM 0 HD3 ARG A 51 -0.258 -1.232 -10.513 1.00 0.98 H new ATOM 0 HE ARG A 51 2.374 -0.483 -10.192 1.00 1.92 H new ATOM 0 HH11 ARG A 51 0.720 -2.538 -12.580 1.00 2.05 H new ATOM 0 HH12 ARG A 51 1.873 -2.159 -13.863 1.00 2.05 H new ATOM 0 HH21 ARG A 51 3.832 -0.012 -11.843 1.00 3.40 H new ATOM 0 HH22 ARG A 51 3.631 -0.731 -13.444 1.00 3.40 H new ATOM 760 N LEU A 52 -3.188 -1.805 -6.400 1.00 0.32 N ATOM 761 CA LEU A 52 -4.246 -2.335 -5.559 1.00 0.34 C ATOM 762 C LEU A 52 -5.602 -1.799 -5.988 1.00 0.33 C ATOM 763 O LEU A 52 -6.585 -2.553 -6.034 1.00 0.40 O ATOM 764 CB LEU A 52 -3.969 -2.008 -4.095 1.00 0.35 C ATOM 765 CG LEU A 52 -2.689 -2.624 -3.526 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.456 -2.168 -2.095 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.761 -4.144 -3.590 1.00 0.39 C ATOM 0 H LEU A 52 -2.604 -1.104 -5.943 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.267 -3.419 -5.673 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -3.913 -0.925 -3.984 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.815 -2.347 -3.496 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.849 -2.284 -4.133 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.540 -2.620 -1.714 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.363 -1.082 -2.070 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.298 -2.474 -1.474 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -1.844 -4.569 -3.182 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.613 -4.493 -3.007 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.877 -4.459 -4.627 1.00 0.39 H new ATOM 779 N GLU A 53 -5.648 -0.509 -6.341 1.00 0.28 N ATOM 780 CA GLU A 53 -6.881 0.113 -6.812 1.00 0.29 C ATOM 781 C GLU A 53 -7.367 -0.613 -8.054 1.00 0.31 C ATOM 782 O GLU A 53 -8.521 -0.989 -8.135 1.00 0.35 O ATOM 783 CB GLU A 53 -6.681 1.597 -7.165 1.00 0.29 C ATOM 784 CG GLU A 53 -6.183 2.505 -6.049 1.00 0.35 C ATOM 785 CD GLU A 53 -6.156 3.970 -6.477 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.259 4.345 -7.251 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.009 4.786 -5.992 1.00 0.51 O ATOM 0 H GLU A 53 -4.845 0.119 -6.308 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.611 0.046 -6.005 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -5.975 1.657 -7.993 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.631 1.992 -7.526 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -6.826 2.394 -5.176 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.182 2.196 -5.749 1.00 0.35 H new ATOM 794 N SER A 54 -6.444 -0.852 -8.985 1.00 0.35 N ATOM 795 CA SER A 54 -6.763 -1.490 -10.256 1.00 0.43 C ATOM 796 C SER A 54 -7.168 -2.982 -10.098 1.00 0.47 C ATOM 797 O SER A 54 -8.049 -3.465 -10.799 1.00 0.61 O ATOM 798 CB SER A 54 -5.576 -1.360 -11.213 1.00 0.49 C ATOM 799 OG SER A 54 -5.190 0.006 -11.374 1.00 1.16 O ATOM 0 H SER A 54 -5.459 -0.609 -8.878 1.00 0.35 H new ATOM 0 HA SER A 54 -7.630 -0.973 -10.668 1.00 0.43 H new ATOM 0 HB2 SER A 54 -4.733 -1.936 -10.832 1.00 0.49 H new ATOM 0 HB3 SER A 54 -5.839 -1.783 -12.182 1.00 0.49 H new ATOM 0 HG SER A 54 -4.638 0.282 -10.612 1.00 1.16 H new ATOM 805 N ARG A 55 -6.522 -3.687 -9.170 1.00 0.40 N ATOM 806 CA ARG A 55 -6.770 -5.121 -8.993 1.00 0.46 C ATOM 807 C ARG A 55 -8.140 -5.421 -8.372 1.00 0.47 C ATOM 808 O ARG A 55 -8.790 -6.398 -8.739 1.00 0.57 O ATOM 809 CB ARG A 55 -5.633 -5.792 -8.204 1.00 0.50 C ATOM 810 CG ARG A 55 -5.836 -7.284 -7.931 1.00 0.61 C ATOM 811 CD ARG A 55 -4.599 -7.923 -7.310 1.00 0.75 C ATOM 812 NE ARG A 55 -3.469 -7.945 -8.248 1.00 1.28 N ATOM 813 CZ ARG A 55 -2.231 -8.377 -7.990 1.00 1.65 C ATOM 814 NH1 ARG A 55 -1.910 -8.860 -6.783 1.00 1.46 N ATOM 815 NH2 ARG A 55 -1.324 -8.344 -8.957 1.00 2.65 N ATOM 0 H ARG A 55 -5.828 -3.295 -8.533 1.00 0.40 H new ATOM 0 HA ARG A 55 -6.789 -5.555 -9.993 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -4.701 -5.661 -8.754 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.516 -5.275 -7.251 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -6.687 -7.418 -7.264 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.078 -7.794 -8.863 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -4.316 -7.372 -6.413 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -4.833 -8.941 -6.998 1.00 0.75 H new ATOM 0 HE ARG A 55 -3.647 -7.596 -9.190 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -2.614 -8.902 -6.047 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -0.961 -9.186 -6.600 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -1.576 -7.993 -9.881 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -0.374 -8.670 -8.777 1.00 2.65 H new ATOM 829 N TYR A 56 -8.574 -4.605 -7.442 1.00 0.42 N ATOM 830 CA TYR A 56 -9.867 -4.845 -6.805 1.00 0.47 C ATOM 831 C TYR A 56 -10.959 -3.923 -7.352 1.00 0.50 C ATOM 832 O TYR A 56 -12.155 -4.238 -7.263 1.00 0.67 O ATOM 833 CB TYR A 56 -9.758 -4.759 -5.278 1.00 0.52 C ATOM 834 CG TYR A 56 -8.887 -5.847 -4.671 1.00 0.53 C ATOM 835 CD1 TYR A 56 -9.430 -7.067 -4.295 1.00 0.62 C ATOM 836 CD2 TYR A 56 -7.524 -5.657 -4.492 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.639 -8.063 -3.753 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.731 -6.644 -3.956 1.00 0.65 C ATOM 839 CZ TYR A 56 -7.291 -7.846 -3.587 1.00 0.67 C ATOM 840 OH TYR A 56 -6.499 -8.829 -3.044 1.00 0.79 O ATOM 0 H TYR A 56 -8.071 -3.783 -7.108 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.167 -5.863 -7.055 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -9.352 -3.785 -5.005 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.757 -4.821 -4.846 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -10.488 -7.242 -4.428 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -7.078 -4.716 -4.779 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -9.077 -9.006 -3.462 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.672 -6.477 -3.825 1.00 0.65 H new ATOM 0 HH TYR A 56 -5.572 -8.514 -2.998 1.00 0.79 H new ATOM 850 N GLY A 57 -10.552 -2.821 -7.943 1.00 0.41 N ATOM 851 CA GLY A 57 -11.497 -1.872 -8.484 1.00 0.45 C ATOM 852 C GLY A 57 -11.864 -0.823 -7.471 1.00 0.46 C ATOM 853 O GLY A 57 -13.012 -0.397 -7.402 1.00 0.61 O ATOM 0 H GLY A 57 -9.573 -2.561 -8.061 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.070 -1.394 -9.366 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.396 -2.396 -8.809 1.00 0.45 H new ATOM 857 N VAL A 58 -10.887 -0.381 -6.694 1.00 0.38 N ATOM 858 CA VAL A 58 -11.149 0.574 -5.626 1.00 0.42 C ATOM 859 C VAL A 58 -10.649 1.966 -6.033 1.00 0.45 C ATOM 860 O VAL A 58 -10.197 2.154 -7.167 1.00 0.51 O ATOM 861 CB VAL A 58 -10.542 0.125 -4.233 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.708 -1.360 -4.014 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.071 0.504 -4.037 1.00 0.57 C ATOM 0 H VAL A 58 -9.911 -0.665 -6.781 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.229 0.612 -5.481 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.115 0.680 -3.490 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.281 -1.636 -3.050 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -11.768 -1.614 -4.027 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.195 -1.904 -4.807 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.734 0.160 -3.059 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.468 0.035 -4.814 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -8.963 1.587 -4.098 1.00 0.57 H new ATOM 873 N SER A 59 -10.744 2.925 -5.135 1.00 0.51 N ATOM 874 CA SER A 59 -10.248 4.263 -5.355 1.00 0.61 C ATOM 875 C SER A 59 -9.836 4.845 -4.010 1.00 0.56 C ATOM 876 O SER A 59 -10.596 4.750 -3.037 1.00 0.63 O ATOM 877 CB SER A 59 -11.336 5.130 -6.003 1.00 0.84 C ATOM 878 OG SER A 59 -11.768 4.574 -7.251 1.00 1.59 O ATOM 0 H SER A 59 -11.174 2.792 -4.220 1.00 0.51 H new ATOM 0 HA SER A 59 -9.391 4.240 -6.028 1.00 0.61 H new ATOM 0 HB2 SER A 59 -12.186 5.216 -5.327 1.00 0.84 H new ATOM 0 HB3 SER A 59 -10.953 6.138 -6.164 1.00 0.84 H new ATOM 0 HG SER A 59 -12.462 5.145 -7.641 1.00 1.59 H new ATOM 884 N ILE A 60 -8.641 5.348 -3.931 1.00 0.50 N ATOM 885 CA ILE A 60 -8.148 5.950 -2.709 1.00 0.48 C ATOM 886 C ILE A 60 -8.536 7.436 -2.675 1.00 0.53 C ATOM 887 O ILE A 60 -8.238 8.183 -3.616 1.00 0.63 O ATOM 888 CB ILE A 60 -6.599 5.807 -2.596 1.00 0.48 C ATOM 889 CG1 ILE A 60 -6.178 4.325 -2.663 1.00 0.64 C ATOM 890 CG2 ILE A 60 -6.072 6.465 -1.314 1.00 0.53 C ATOM 891 CD1 ILE A 60 -6.802 3.450 -1.592 1.00 0.75 C ATOM 0 H ILE A 60 -7.975 5.357 -4.704 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.600 5.431 -1.864 1.00 0.48 H new ATOM 0 HB ILE A 60 -6.155 6.327 -3.445 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -6.445 3.927 -3.642 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -5.093 4.263 -2.579 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -4.989 6.349 -1.264 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -6.323 7.526 -1.320 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -6.529 5.989 -0.446 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -6.453 2.424 -1.711 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -6.514 3.819 -0.608 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -7.888 3.477 -1.687 1.00 0.75 H new ATOM 903 N PRO A 61 -9.225 7.889 -1.603 1.00 0.65 N ATOM 904 CA PRO A 61 -9.655 9.272 -1.487 1.00 0.77 C ATOM 905 C PRO A 61 -8.464 10.212 -1.290 1.00 0.65 C ATOM 906 O PRO A 61 -7.599 9.962 -0.437 1.00 0.57 O ATOM 907 CB PRO A 61 -10.559 9.284 -0.239 1.00 0.97 C ATOM 908 CG PRO A 61 -10.818 7.843 0.070 1.00 1.08 C ATOM 909 CD PRO A 61 -9.623 7.095 -0.429 1.00 0.83 C ATOM 0 HA PRO A 61 -10.166 9.617 -2.386 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -10.070 9.785 0.597 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -11.489 9.819 -0.431 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -10.954 7.692 1.141 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.728 7.496 -0.419 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -8.831 7.049 0.318 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -9.869 6.068 -0.697 1.00 0.83 H new ATOM 917 N ASP A 62 -8.466 11.300 -2.045 1.00 0.74 N ATOM 918 CA ASP A 62 -7.388 12.317 -2.065 1.00 0.73 C ATOM 919 C ASP A 62 -7.097 12.861 -0.664 1.00 0.62 C ATOM 920 O ASP A 62 -5.942 12.976 -0.262 1.00 0.64 O ATOM 921 CB ASP A 62 -7.771 13.483 -3.028 1.00 0.93 C ATOM 922 CG ASP A 62 -9.043 14.241 -2.614 1.00 1.44 C ATOM 923 OD1 ASP A 62 -10.075 13.607 -2.335 1.00 1.92 O ATOM 924 OD2 ASP A 62 -9.025 15.493 -2.585 1.00 2.07 O ATOM 0 H ASP A 62 -9.231 11.520 -2.683 1.00 0.74 H new ATOM 0 HA ASP A 62 -6.480 11.834 -2.426 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -6.940 14.187 -3.078 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -7.910 13.081 -4.032 1.00 0.93 H new ATOM 929 N ASP A 63 -8.150 13.141 0.067 1.00 0.63 N ATOM 930 CA ASP A 63 -8.079 13.668 1.434 1.00 0.61 C ATOM 931 C ASP A 63 -7.433 12.661 2.408 1.00 0.59 C ATOM 932 O ASP A 63 -6.613 13.020 3.244 1.00 0.64 O ATOM 933 CB ASP A 63 -9.511 14.033 1.890 1.00 0.77 C ATOM 934 CG ASP A 63 -9.633 14.404 3.354 1.00 1.36 C ATOM 935 OD1 ASP A 63 -9.219 15.498 3.746 1.00 2.00 O ATOM 936 OD2 ASP A 63 -10.191 13.591 4.132 1.00 2.10 O ATOM 0 H ASP A 63 -9.105 13.011 -0.267 1.00 0.63 H new ATOM 0 HA ASP A 63 -7.444 14.554 1.441 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -9.868 14.867 1.287 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -10.169 13.188 1.687 1.00 0.77 H new ATOM 941 N VAL A 64 -7.759 11.399 2.235 1.00 0.62 N ATOM 942 CA VAL A 64 -7.331 10.351 3.171 1.00 0.69 C ATOM 943 C VAL A 64 -5.903 9.830 2.863 1.00 0.67 C ATOM 944 O VAL A 64 -5.181 9.403 3.774 1.00 0.78 O ATOM 945 CB VAL A 64 -8.357 9.165 3.160 1.00 0.82 C ATOM 946 CG1 VAL A 64 -7.985 8.061 4.141 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.753 9.679 3.463 1.00 0.90 C ATOM 0 H VAL A 64 -8.322 11.060 1.455 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.302 10.798 4.165 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.332 8.730 2.161 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -8.728 7.265 4.092 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.006 7.659 3.882 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -7.954 8.468 5.152 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.457 8.847 3.453 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -9.762 10.150 4.446 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -10.044 10.410 2.708 1.00 0.90 H new ATOM 957 N ALA A 65 -5.507 9.910 1.605 1.00 0.61 N ATOM 958 CA ALA A 65 -4.224 9.368 1.120 1.00 0.67 C ATOM 959 C ALA A 65 -3.005 9.894 1.880 1.00 0.64 C ATOM 960 O ALA A 65 -2.157 9.117 2.322 1.00 0.74 O ATOM 961 CB ALA A 65 -4.065 9.649 -0.374 1.00 0.77 C ATOM 0 H ALA A 65 -6.063 10.355 0.875 1.00 0.61 H new ATOM 0 HA ALA A 65 -4.261 8.294 1.302 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -3.114 9.244 -0.721 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.881 9.178 -0.922 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -4.086 10.725 -0.546 1.00 0.77 H new ATOM 967 N GLY A 66 -2.939 11.190 2.085 1.00 0.58 N ATOM 968 CA GLY A 66 -1.751 11.769 2.702 1.00 0.66 C ATOM 969 C GLY A 66 -1.758 11.726 4.217 1.00 0.68 C ATOM 970 O GLY A 66 -1.267 12.653 4.862 1.00 0.86 O ATOM 0 H GLY A 66 -3.672 11.857 1.843 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -0.871 11.239 2.338 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -1.655 12.806 2.379 1.00 0.66 H new ATOM 974 N ARG A 67 -2.302 10.656 4.802 1.00 0.64 N ATOM 975 CA ARG A 67 -2.365 10.530 6.257 1.00 0.79 C ATOM 976 C ARG A 67 -1.737 9.240 6.739 1.00 0.77 C ATOM 977 O ARG A 67 -1.764 8.948 7.928 1.00 0.95 O ATOM 978 CB ARG A 67 -3.817 10.640 6.756 1.00 0.94 C ATOM 979 CG ARG A 67 -4.417 12.001 6.497 1.00 1.12 C ATOM 980 CD ARG A 67 -5.815 12.162 7.035 1.00 1.40 C ATOM 981 NE ARG A 67 -6.278 13.534 6.798 1.00 1.89 N ATOM 982 CZ ARG A 67 -7.404 13.864 6.141 1.00 2.51 C ATOM 983 NH1 ARG A 67 -8.307 12.938 5.861 1.00 2.93 N ATOM 984 NH2 ARG A 67 -7.636 15.126 5.807 1.00 3.22 N ATOM 0 H ARG A 67 -2.703 9.869 4.292 1.00 0.64 H new ATOM 0 HA ARG A 67 -1.789 11.355 6.676 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -4.425 9.880 6.266 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -3.847 10.431 7.825 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -3.776 12.761 6.944 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -4.428 12.184 5.423 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -6.486 11.452 6.551 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -5.833 11.941 8.102 1.00 1.40 H new ATOM 0 HE ARG A 67 -5.702 14.295 7.159 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -8.150 11.971 6.144 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -9.160 13.192 5.363 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -6.959 15.850 6.048 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -8.491 15.373 5.309 1.00 3.22 H new ATOM 998 N VAL A 68 -1.151 8.490 5.827 1.00 0.62 N ATOM 999 CA VAL A 68 -0.548 7.204 6.163 1.00 0.66 C ATOM 1000 C VAL A 68 0.976 7.302 6.264 1.00 0.67 C ATOM 1001 O VAL A 68 1.652 7.730 5.314 1.00 1.00 O ATOM 1002 CB VAL A 68 -0.941 6.088 5.126 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.429 5.828 5.175 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.541 6.460 3.697 1.00 0.64 C ATOM 0 H VAL A 68 -1.077 8.745 4.842 1.00 0.62 H new ATOM 0 HA VAL A 68 -0.943 6.924 7.140 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.395 5.187 5.406 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.687 5.054 4.452 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.708 5.498 6.176 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -2.967 6.745 4.932 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.833 5.659 3.017 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -1.043 7.383 3.407 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.538 6.603 3.647 1.00 0.64 H new ATOM 1014 N ASP A 69 1.516 6.980 7.419 1.00 0.54 N ATOM 1015 CA ASP A 69 2.967 6.953 7.564 1.00 0.64 C ATOM 1016 C ASP A 69 3.453 5.525 7.762 1.00 0.50 C ATOM 1017 O ASP A 69 4.645 5.212 7.534 1.00 0.54 O ATOM 1018 CB ASP A 69 3.524 7.929 8.645 1.00 0.99 C ATOM 1019 CG ASP A 69 3.120 7.627 10.075 1.00 1.11 C ATOM 1020 OD1 ASP A 69 2.053 8.101 10.515 1.00 1.37 O ATOM 1021 OD2 ASP A 69 3.825 6.833 10.750 1.00 1.84 O ATOM 0 H ASP A 69 0.991 6.737 8.259 1.00 0.54 H new ATOM 0 HA ASP A 69 3.378 7.333 6.629 1.00 0.64 H new ATOM 0 HB2 ASP A 69 4.612 7.924 8.586 1.00 0.99 H new ATOM 0 HB3 ASP A 69 3.196 8.939 8.400 1.00 0.99 H new ATOM 1026 N THR A 70 2.530 4.645 8.113 1.00 0.43 N ATOM 1027 CA THR A 70 2.833 3.235 8.233 1.00 0.37 C ATOM 1028 C THR A 70 1.992 2.399 7.235 1.00 0.33 C ATOM 1029 O THR A 70 0.848 2.751 6.918 1.00 0.34 O ATOM 1030 CB THR A 70 2.633 2.716 9.690 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.330 3.065 10.180 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.708 3.262 10.622 1.00 0.44 C ATOM 0 H THR A 70 1.561 4.887 8.320 1.00 0.43 H new ATOM 0 HA THR A 70 3.887 3.113 7.985 1.00 0.37 H new ATOM 0 HB THR A 70 2.719 1.630 9.668 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.111 3.979 9.904 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.542 2.883 11.630 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.690 2.943 10.271 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.662 4.351 10.632 1.00 0.44 H new ATOM 1040 N PRO A 71 2.564 1.287 6.691 1.00 0.32 N ATOM 1041 CA PRO A 71 1.872 0.394 5.728 1.00 0.31 C ATOM 1042 C PRO A 71 0.615 -0.231 6.318 1.00 0.29 C ATOM 1043 O PRO A 71 -0.289 -0.644 5.593 1.00 0.33 O ATOM 1044 CB PRO A 71 2.911 -0.694 5.447 1.00 0.34 C ATOM 1045 CG PRO A 71 4.210 -0.055 5.762 1.00 0.38 C ATOM 1046 CD PRO A 71 3.939 0.836 6.934 1.00 0.36 C ATOM 0 HA PRO A 71 1.540 0.934 4.842 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.741 -1.575 6.066 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.871 -1.022 4.408 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.967 -0.801 6.002 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.584 0.516 4.912 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.027 0.299 7.879 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.637 1.672 6.976 1.00 0.36 H new ATOM 1054 N ARG A 72 0.571 -0.278 7.636 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.561 -0.793 8.370 1.00 0.34 C ATOM 1056 C ARG A 72 -1.785 0.070 8.084 1.00 0.36 C ATOM 1057 O ARG A 72 -2.855 -0.438 7.808 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.221 -0.759 9.852 1.00 0.41 C ATOM 1059 CG ARG A 72 -1.294 -1.273 10.787 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.825 -1.114 12.226 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.499 0.293 12.524 1.00 0.75 N ATOM 1062 CZ ARG A 72 0.663 0.737 13.092 1.00 0.98 C ATOM 1063 NH1 ARG A 72 1.563 -0.136 13.593 1.00 1.38 N ATOM 1064 NH2 ARG A 72 0.896 2.040 13.170 1.00 1.16 N ATOM 0 H ARG A 72 1.333 0.046 8.232 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.783 -1.817 8.068 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.684 -1.345 10.011 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.013 0.269 10.128 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -2.222 -0.723 10.632 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -1.506 -2.321 10.575 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -1.602 -1.463 12.906 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.052 -1.738 12.397 1.00 0.69 H new ATOM 0 HE ARG A 72 -1.200 0.995 12.286 1.00 0.75 H new ATOM 0 HH11 ARG A 72 1.380 -1.138 13.550 1.00 1.38 H new ATOM 0 HH12 ARG A 72 2.426 0.207 14.014 1.00 1.38 H new ATOM 0 HH21 ARG A 72 0.211 2.703 12.808 1.00 1.16 H new ATOM 0 HH22 ARG A 72 1.760 2.379 13.592 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.567 1.380 8.067 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.628 2.345 7.836 1.00 0.42 C ATOM 1080 C GLU A 73 -3.071 2.297 6.390 1.00 0.40 C ATOM 1081 O GLU A 73 -4.229 2.551 6.080 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.139 3.731 8.165 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.603 3.849 9.554 1.00 0.63 C ATOM 1084 CD GLU A 73 -1.012 5.194 9.824 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.101 5.478 9.304 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -1.635 5.975 10.582 1.00 1.33 O ATOM 0 H GLU A 73 -0.649 1.800 8.213 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.474 2.096 8.477 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.360 4.013 7.456 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -2.958 4.439 8.037 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.405 3.658 10.267 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -0.844 3.083 9.714 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.142 1.951 5.508 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.428 1.847 4.086 1.00 0.43 C ATOM 1095 C LEU A 74 -3.370 0.656 3.867 1.00 0.41 C ATOM 1096 O LEU A 74 -4.279 0.693 3.028 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.121 1.644 3.306 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.183 1.911 1.795 1.00 0.50 C ATOM 1099 CD1 LEU A 74 -1.407 3.374 1.541 1.00 1.04 C ATOM 1100 CD2 LEU A 74 0.094 1.436 1.106 1.00 1.10 C ATOM 0 H LEU A 74 -1.176 1.736 5.757 1.00 0.40 H new ATOM 0 HA LEU A 74 -2.902 2.761 3.729 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.360 2.294 3.738 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -0.787 0.618 3.459 1.00 0.44 H new ATOM 0 HG LEU A 74 -2.019 1.349 1.378 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -1.450 3.554 0.467 1.00 1.04 H new ATOM 0 HD12 LEU A 74 -2.347 3.683 1.998 1.00 1.04 H new ATOM 0 HD13 LEU A 74 -0.587 3.948 1.973 1.00 1.04 H new ATOM 0 HD21 LEU A 74 0.026 1.636 0.037 1.00 1.10 H new ATOM 0 HD22 LEU A 74 0.951 1.967 1.521 1.00 1.10 H new ATOM 0 HD23 LEU A 74 0.218 0.365 1.268 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.151 -0.377 4.667 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.966 -1.568 4.655 1.00 0.41 C ATOM 1114 C LEU A 75 -5.348 -1.192 5.201 1.00 0.39 C ATOM 1115 O LEU A 75 -6.367 -1.416 4.532 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.330 -2.649 5.543 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.922 -4.065 5.462 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.546 -4.730 4.146 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.456 -4.909 6.638 1.00 0.54 C ATOM 0 H LEU A 75 -2.392 -0.405 5.348 1.00 0.41 H new ATOM 0 HA LEU A 75 -4.049 -1.963 3.642 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.271 -2.711 5.293 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.394 -2.315 6.579 1.00 0.46 H new ATOM 0 HG LEU A 75 -5.008 -3.983 5.507 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -3.975 -5.731 4.109 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -3.933 -4.139 3.316 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.461 -4.797 4.069 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.886 -5.908 6.562 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.368 -4.980 6.626 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.779 -4.445 7.570 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.356 -0.556 6.408 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.597 -0.094 7.082 1.00 0.48 C ATOM 1133 C ASP A 76 -7.448 0.757 6.142 1.00 0.40 C ATOM 1134 O ASP A 76 -8.677 0.590 6.057 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.311 0.775 8.345 1.00 0.66 C ATOM 1136 CG ASP A 76 -5.679 0.060 9.535 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -6.186 -1.027 9.926 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -4.644 0.530 10.069 1.00 1.89 O ATOM 0 H ASP A 76 -4.506 -0.352 6.934 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.120 -1.004 7.376 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -5.656 1.596 8.053 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -7.251 1.219 8.674 1.00 0.66 H new ATOM 1143 N LEU A 77 -6.775 1.670 5.442 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.393 2.605 4.505 1.00 0.38 C ATOM 1145 C LEU A 77 -8.192 1.840 3.452 1.00 0.33 C ATOM 1146 O LEU A 77 -9.381 2.096 3.271 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.285 3.488 3.831 1.00 0.46 C ATOM 1148 CG LEU A 77 -6.697 4.792 3.093 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -5.457 5.546 2.660 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -7.582 4.544 1.873 1.00 1.24 C ATOM 0 H LEU A 77 -5.764 1.782 5.513 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.078 3.259 5.045 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -5.568 3.762 4.605 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -5.756 2.859 3.115 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.283 5.377 3.801 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -5.749 6.460 2.143 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -4.861 5.800 3.537 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -4.867 4.922 1.989 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -7.832 5.496 1.405 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -7.049 3.918 1.158 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -8.498 4.041 2.184 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.564 0.869 2.803 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.215 0.156 1.726 1.00 0.32 C ATOM 1164 C ILE A 78 -9.296 -0.748 2.266 1.00 0.29 C ATOM 1165 O ILE A 78 -10.405 -0.775 1.727 1.00 0.33 O ATOM 1166 CB ILE A 78 -7.217 -0.632 0.840 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -6.232 0.344 0.172 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.955 -1.454 -0.217 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.248 -0.295 -0.778 1.00 0.63 C ATOM 0 H ILE A 78 -6.612 0.563 3.005 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.675 0.904 1.080 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.661 -1.323 1.473 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -6.802 1.097 -0.371 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.676 0.866 0.951 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -7.232 -1.997 -0.825 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.622 -2.163 0.274 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -8.538 -0.789 -0.854 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.597 0.472 -1.198 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -4.646 -1.027 -0.240 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -5.790 -0.792 -1.583 1.00 0.63 H new ATOM 1181 N ASN A 79 -8.997 -1.438 3.359 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.958 -2.348 3.994 1.00 0.33 C ATOM 1183 C ASN A 79 -11.217 -1.595 4.404 1.00 0.37 C ATOM 1184 O ASN A 79 -12.330 -2.103 4.265 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.352 -3.068 5.208 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.208 -4.052 4.877 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.334 -4.283 5.692 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -8.206 -4.620 3.693 1.00 0.55 N ATOM 0 H ASN A 79 -8.094 -1.388 3.831 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.220 -3.107 3.257 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -8.977 -2.319 5.906 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -10.144 -3.614 5.721 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.462 -5.270 3.440 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -8.949 -4.411 3.026 1.00 0.55 H new ATOM 1195 N GLY A 80 -11.031 -0.373 4.864 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.140 0.460 5.252 1.00 0.46 C ATOM 1197 C GLY A 80 -12.868 1.050 4.049 1.00 0.47 C ATOM 1198 O GLY A 80 -14.091 1.115 4.040 1.00 0.57 O ATOM 0 H GLY A 80 -10.115 0.062 4.977 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.841 -0.126 5.847 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.780 1.268 5.888 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.114 1.431 3.012 1.00 0.43 N ATOM 1203 CA ALA A 81 -12.696 2.042 1.813 1.00 0.49 C ATOM 1204 C ALA A 81 -13.603 1.051 1.078 1.00 0.54 C ATOM 1205 O ALA A 81 -14.574 1.443 0.432 1.00 0.68 O ATOM 1206 CB ALA A 81 -11.608 2.575 0.889 1.00 0.49 C ATOM 0 H ALA A 81 -11.100 1.327 2.979 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.309 2.886 2.130 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.067 3.023 0.007 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.021 3.328 1.415 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -10.957 1.756 0.583 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.285 -0.234 1.202 1.00 0.48 N ATOM 1213 CA LEU A 82 -14.104 -1.307 0.628 1.00 0.57 C ATOM 1214 C LEU A 82 -15.520 -1.282 1.213 1.00 0.70 C ATOM 1215 O LEU A 82 -16.509 -1.311 0.479 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.451 -2.675 0.914 1.00 0.54 C ATOM 1217 CG LEU A 82 -12.075 -2.925 0.281 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -11.458 -4.197 0.821 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -12.195 -3.007 -1.224 1.00 0.63 C ATOM 0 H LEU A 82 -12.458 -0.564 1.699 1.00 0.48 H new ATOM 0 HA LEU A 82 -14.169 -1.151 -0.449 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -13.355 -2.788 1.994 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -14.131 -3.455 0.571 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.426 -2.088 0.540 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.484 -4.354 0.358 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -11.338 -4.113 1.901 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -12.108 -5.042 0.593 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -11.211 -3.185 -1.658 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -12.863 -3.826 -1.492 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -12.598 -2.070 -1.608 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.600 -1.135 2.520 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.873 -1.157 3.241 1.00 0.87 C ATOM 1233 C ALA A 83 -17.608 0.181 3.140 1.00 1.01 C ATOM 1234 O ALA A 83 -18.708 0.336 3.665 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.641 -1.544 4.694 1.00 0.90 C ATOM 0 H ALA A 83 -14.787 -0.996 3.120 1.00 0.69 H new ATOM 0 HA ALA A 83 -17.512 -1.906 2.774 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -17.594 -1.558 5.223 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -16.186 -2.534 4.739 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -15.976 -0.818 5.162 1.00 0.90 H new