USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 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 1 MET CE :methyl 170:sc= -0.0232 (180deg=-0.204) USER MOD Single : A 1 MET N :NH3+ 136:sc= 1.15 (180deg=0.44) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -65:sc= 1.22 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 82:sc= 0.03 USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00175 USER MOD Single : A 24 THR OG1 : rot -136:sc= 0.621 USER MOD Single : A 27 SER OG : rot 123:sc= 1.29 USER MOD Single : A 40 TYR OH : rot -122:sc= 0.734 USER MOD Single : A 46 MET CE :methyl 157:sc= -0.222 (180deg=-1.01) USER MOD Single : A 48 THR OG1 : rot 69:sc= 0.446 USER MOD Single : A 54 SER OG : rot 71:sc= 1.21 USER MOD Single : A 56 TYR OH : rot -164:sc= 0.498 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -61:sc= 1.29 USER MOD Single : A 79 ASN : amide:sc= -0.797 X(o=-0.8,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.630 -5.893 -3.531 1.00 3.07 N ATOM 2 CA MET A 1 -18.227 -7.188 -3.001 1.00 2.76 C ATOM 3 C MET A 1 -17.036 -7.020 -2.077 1.00 2.34 C ATOM 4 O MET A 1 -16.045 -6.385 -2.444 1.00 2.38 O ATOM 5 CB MET A 1 -17.930 -8.173 -4.141 1.00 2.93 C ATOM 6 CG MET A 1 -17.461 -9.555 -3.688 1.00 3.33 C ATOM 7 SD MET A 1 -18.591 -10.360 -2.520 1.00 4.18 S ATOM 8 CE MET A 1 -20.092 -10.470 -3.502 1.00 4.50 C ATOM 0 H1 MET A 1 -18.823 -5.979 -4.549 1.00 3.07 H new ATOM 0 H2 MET A 1 -19.489 -5.570 -3.042 1.00 3.07 H new ATOM 0 H3 MET A 1 -17.866 -5.203 -3.381 1.00 3.07 H new ATOM 0 HA MET A 1 -19.048 -7.607 -2.420 1.00 2.76 H new ATOM 0 HB2 MET A 1 -18.830 -8.290 -4.745 1.00 2.93 H new ATOM 0 HB3 MET A 1 -17.167 -7.740 -4.787 1.00 2.93 H new ATOM 0 HG2 MET A 1 -17.341 -10.194 -4.563 1.00 3.33 H new ATOM 0 HG3 MET A 1 -16.479 -9.462 -3.225 1.00 3.33 H new ATOM 0 HE1 MET A 1 -20.819 -11.098 -2.986 1.00 4.50 H new ATOM 0 HE2 MET A 1 -20.509 -9.473 -3.643 1.00 4.50 H new ATOM 0 HE3 MET A 1 -19.860 -10.906 -4.473 1.00 4.50 H new ATOM 20 N ALA A 2 -17.118 -7.600 -0.888 1.00 2.23 N ATOM 21 CA ALA A 2 -16.055 -7.478 0.081 1.00 1.97 C ATOM 22 C ALA A 2 -15.064 -8.629 -0.048 1.00 1.62 C ATOM 23 O ALA A 2 -15.319 -9.731 0.413 1.00 1.83 O ATOM 24 CB ALA A 2 -16.621 -7.401 1.500 1.00 2.32 C ATOM 0 H ALA A 2 -17.913 -8.159 -0.577 1.00 2.23 H new ATOM 0 HA ALA A 2 -15.519 -6.551 -0.121 1.00 1.97 H new ATOM 0 HB1 ALA A 2 -15.802 -7.309 2.214 1.00 2.32 H new ATOM 0 HB2 ALA A 2 -17.275 -6.533 1.584 1.00 2.32 H new ATOM 0 HB3 ALA A 2 -17.190 -8.306 1.714 1.00 2.32 H new ATOM 30 N THR A 3 -13.972 -8.372 -0.727 1.00 1.33 N ATOM 31 CA THR A 3 -12.904 -9.335 -0.882 1.00 1.10 C ATOM 32 C THR A 3 -11.602 -8.732 -0.322 1.00 0.90 C ATOM 33 O THR A 3 -10.815 -8.114 -1.041 1.00 0.87 O ATOM 34 CB THR A 3 -12.768 -9.806 -2.391 1.00 1.27 C ATOM 35 OG1 THR A 3 -11.641 -10.688 -2.580 1.00 1.70 O ATOM 36 CG2 THR A 3 -12.703 -8.641 -3.384 1.00 1.78 C ATOM 0 H THR A 3 -13.796 -7.481 -1.192 1.00 1.33 H new ATOM 0 HA THR A 3 -13.132 -10.236 -0.313 1.00 1.10 H new ATOM 0 HB THR A 3 -13.683 -10.359 -2.604 1.00 1.27 H new ATOM 0 HG1 THR A 3 -11.591 -10.958 -3.521 1.00 1.70 H new ATOM 0 HG21 THR A 3 -12.610 -9.031 -4.397 1.00 1.78 H new ATOM 0 HG22 THR A 3 -13.613 -8.045 -3.306 1.00 1.78 H new ATOM 0 HG23 THR A 3 -11.840 -8.016 -3.156 1.00 1.78 H new ATOM 44 N LEU A 4 -11.456 -8.819 0.985 1.00 0.86 N ATOM 45 CA LEU A 4 -10.336 -8.227 1.685 1.00 0.72 C ATOM 46 C LEU A 4 -8.997 -8.800 1.288 1.00 0.67 C ATOM 47 O LEU A 4 -8.759 -10.012 1.375 1.00 0.83 O ATOM 48 CB LEU A 4 -10.485 -8.283 3.205 1.00 0.71 C ATOM 49 CG LEU A 4 -11.393 -7.239 3.868 1.00 0.87 C ATOM 50 CD1 LEU A 4 -12.850 -7.377 3.472 1.00 0.80 C ATOM 51 CD2 LEU A 4 -11.229 -7.288 5.373 1.00 1.75 C ATOM 0 H LEU A 4 -12.115 -9.305 1.593 1.00 0.86 H new ATOM 0 HA LEU A 4 -10.356 -7.183 1.371 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -10.860 -9.271 3.470 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.491 -8.191 3.644 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.076 -6.262 3.503 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.438 -6.609 3.975 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -12.946 -7.259 2.393 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -13.214 -8.362 3.763 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -11.878 -6.543 5.834 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -11.499 -8.279 5.736 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -10.192 -7.077 5.633 1.00 1.75 H new ATOM 63 N LEU A 5 -8.151 -7.908 0.848 1.00 0.55 N ATOM 64 CA LEU A 5 -6.779 -8.216 0.533 1.00 0.51 C ATOM 65 C LEU A 5 -6.015 -8.360 1.830 1.00 0.46 C ATOM 66 O LEU A 5 -6.358 -7.706 2.835 1.00 0.50 O ATOM 67 CB LEU A 5 -6.102 -7.134 -0.357 1.00 0.53 C ATOM 68 CG LEU A 5 -6.050 -5.676 0.167 1.00 0.62 C ATOM 69 CD1 LEU A 5 -4.813 -4.974 -0.374 1.00 0.66 C ATOM 70 CD2 LEU A 5 -7.283 -4.877 -0.258 1.00 0.95 C ATOM 0 H LEU A 5 -8.398 -6.930 0.695 1.00 0.55 H new ATOM 0 HA LEU A 5 -6.766 -9.142 -0.041 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -5.078 -7.455 -0.549 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.618 -7.124 -1.317 1.00 0.53 H new ATOM 0 HG LEU A 5 -6.020 -5.724 1.256 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -4.784 -3.950 -0.001 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -3.920 -5.506 -0.045 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.848 -4.963 -1.463 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -7.209 -3.861 0.129 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -7.341 -4.848 -1.346 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -8.180 -5.352 0.140 1.00 0.95 H new ATOM 82 N THR A 6 -5.012 -9.183 1.816 1.00 0.47 N ATOM 83 CA THR A 6 -4.258 -9.438 2.997 1.00 0.49 C ATOM 84 C THR A 6 -3.008 -8.567 3.036 1.00 0.40 C ATOM 85 O THR A 6 -2.771 -7.728 2.144 1.00 0.38 O ATOM 86 CB THR A 6 -3.821 -10.920 3.066 1.00 0.70 C ATOM 87 OG1 THR A 6 -2.999 -11.223 1.930 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.026 -11.852 3.089 1.00 0.93 C ATOM 0 H THR A 6 -4.697 -9.692 0.990 1.00 0.47 H new ATOM 0 HA THR A 6 -4.900 -9.206 3.847 1.00 0.49 H new ATOM 0 HB THR A 6 -3.259 -11.072 3.988 1.00 0.70 H new ATOM 0 HG1 THR A 6 -3.533 -11.152 1.111 1.00 0.82 H new ATOM 0 HG21 THR A 6 -4.685 -12.886 3.138 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.640 -11.631 3.962 1.00 0.93 H new ATOM 0 HG23 THR A 6 -5.616 -11.707 2.184 1.00 0.93 H new ATOM 96 N THR A 7 -2.158 -8.820 4.016 1.00 0.44 N ATOM 97 CA THR A 7 -0.919 -8.123 4.125 1.00 0.42 C ATOM 98 C THR A 7 0.078 -8.695 3.110 1.00 0.37 C ATOM 99 O THR A 7 1.070 -8.057 2.759 1.00 0.39 O ATOM 100 CB THR A 7 -0.358 -8.281 5.551 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.441 -8.130 6.478 1.00 0.58 O ATOM 102 CG2 THR A 7 0.695 -7.211 5.832 1.00 0.54 C ATOM 0 H THR A 7 -2.319 -9.513 4.747 1.00 0.44 H new ATOM 0 HA THR A 7 -1.079 -7.065 3.919 1.00 0.42 H new ATOM 0 HB THR A 7 0.106 -9.262 5.654 1.00 0.50 H new ATOM 0 HG1 THR A 7 -1.105 -8.229 7.393 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.081 -7.337 6.844 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.512 -7.308 5.117 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.244 -6.223 5.736 1.00 0.54 H new ATOM 110 N ASP A 8 -0.234 -9.876 2.588 1.00 0.41 N ATOM 111 CA ASP A 8 0.654 -10.532 1.648 1.00 0.46 C ATOM 112 C ASP A 8 0.412 -9.924 0.274 1.00 0.42 C ATOM 113 O ASP A 8 1.330 -9.777 -0.530 1.00 0.47 O ATOM 114 CB ASP A 8 0.424 -12.038 1.627 1.00 0.62 C ATOM 115 CG ASP A 8 1.675 -12.810 1.254 1.00 1.41 C ATOM 116 OD1 ASP A 8 2.610 -12.222 0.722 1.00 1.98 O ATOM 117 OD2 ASP A 8 1.761 -14.010 1.584 1.00 2.01 O ATOM 0 H ASP A 8 -1.088 -10.391 2.800 1.00 0.41 H new ATOM 0 HA ASP A 8 1.690 -10.379 1.949 1.00 0.46 H new ATOM 0 HB2 ASP A 8 0.079 -12.364 2.608 1.00 0.62 H new ATOM 0 HB3 ASP A 8 -0.369 -12.272 0.917 1.00 0.62 H new ATOM 122 N ASP A 9 -0.840 -9.518 0.035 1.00 0.41 N ATOM 123 CA ASP A 9 -1.211 -8.793 -1.195 1.00 0.46 C ATOM 124 C ASP A 9 -0.450 -7.497 -1.246 1.00 0.40 C ATOM 125 O ASP A 9 0.147 -7.151 -2.272 1.00 0.46 O ATOM 126 CB ASP A 9 -2.715 -8.475 -1.261 1.00 0.54 C ATOM 127 CG ASP A 9 -3.593 -9.678 -1.411 1.00 0.98 C ATOM 128 OD1 ASP A 9 -3.932 -10.313 -0.384 1.00 1.83 O ATOM 129 OD2 ASP A 9 -3.980 -9.981 -2.553 1.00 1.21 O ATOM 0 H ASP A 9 -1.618 -9.677 0.676 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.966 -9.437 -2.040 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -3.002 -7.941 -0.355 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.896 -7.801 -2.099 1.00 0.54 H new ATOM 134 N LEU A 10 -0.451 -6.801 -0.108 1.00 0.36 N ATOM 135 CA LEU A 10 0.274 -5.543 0.040 1.00 0.35 C ATOM 136 C LEU A 10 1.762 -5.776 -0.177 1.00 0.33 C ATOM 137 O LEU A 10 2.415 -5.018 -0.877 1.00 0.36 O ATOM 138 CB LEU A 10 0.000 -4.916 1.417 1.00 0.37 C ATOM 139 CG LEU A 10 0.745 -3.611 1.742 1.00 0.41 C ATOM 140 CD1 LEU A 10 0.389 -2.503 0.751 1.00 0.51 C ATOM 141 CD2 LEU A 10 0.453 -3.165 3.169 1.00 0.48 C ATOM 0 H LEU A 10 -0.952 -7.093 0.731 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.077 -4.839 -0.715 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.070 -4.726 1.497 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.252 -5.651 2.182 1.00 0.37 H new ATOM 0 HG LEU A 10 1.813 -3.809 1.651 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.933 -1.595 1.010 1.00 0.51 H new ATOM 0 HD12 LEU A 10 0.662 -2.815 -0.257 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -0.683 -2.308 0.792 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.990 -2.240 3.378 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -0.618 -2.997 3.286 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.777 -3.938 3.865 1.00 0.48 H new ATOM 153 N ARG A 11 2.261 -6.866 0.392 1.00 0.33 N ATOM 154 CA ARG A 11 3.650 -7.247 0.266 1.00 0.37 C ATOM 155 C ARG A 11 4.031 -7.465 -1.212 1.00 0.39 C ATOM 156 O ARG A 11 5.027 -6.923 -1.680 1.00 0.45 O ATOM 157 CB ARG A 11 3.949 -8.501 1.125 1.00 0.45 C ATOM 158 CG ARG A 11 5.392 -8.955 1.069 1.00 0.72 C ATOM 159 CD ARG A 11 5.710 -10.052 2.085 1.00 0.63 C ATOM 160 NE ARG A 11 4.986 -11.329 1.869 1.00 1.12 N ATOM 161 CZ ARG A 11 5.402 -12.517 2.335 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.569 -12.606 2.993 1.00 1.47 N ATOM 163 NH2 ARG A 11 4.655 -13.605 2.153 1.00 2.27 N ATOM 0 H ARG A 11 1.705 -7.510 0.955 1.00 0.33 H new ATOM 0 HA ARG A 11 4.268 -6.431 0.642 1.00 0.37 H new ATOM 0 HB2 ARG A 11 3.685 -8.290 2.161 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.309 -9.318 0.792 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.614 -9.320 0.066 1.00 0.72 H new ATOM 0 HG3 ARG A 11 6.044 -8.100 1.249 1.00 0.72 H new ATOM 0 HD2 ARG A 11 6.782 -10.250 2.062 1.00 0.63 H new ATOM 0 HD3 ARG A 11 5.476 -9.682 3.083 1.00 0.63 H new ATOM 0 HE ARG A 11 4.118 -11.302 1.333 1.00 1.12 H new ATOM 0 HH11 ARG A 11 7.138 -11.772 3.138 1.00 1.47 H new ATOM 0 HH12 ARG A 11 6.887 -13.508 3.348 1.00 1.47 H new ATOM 0 HH21 ARG A 11 3.765 -13.536 1.659 1.00 2.27 H new ATOM 0 HH22 ARG A 11 4.973 -14.507 2.508 1.00 2.27 H new ATOM 177 N ARG A 12 3.204 -8.208 -1.939 1.00 0.40 N ATOM 178 CA ARG A 12 3.445 -8.482 -3.354 1.00 0.48 C ATOM 179 C ARG A 12 3.473 -7.203 -4.170 1.00 0.47 C ATOM 180 O ARG A 12 4.421 -6.954 -4.910 1.00 0.50 O ATOM 181 CB ARG A 12 2.379 -9.407 -3.928 1.00 0.56 C ATOM 182 CG ARG A 12 2.397 -10.789 -3.356 1.00 0.94 C ATOM 183 CD ARG A 12 1.245 -11.603 -3.899 1.00 1.18 C ATOM 184 NE ARG A 12 1.244 -12.941 -3.343 1.00 1.76 N ATOM 185 CZ ARG A 12 0.292 -13.441 -2.560 1.00 2.29 C ATOM 186 NH1 ARG A 12 -0.885 -12.798 -2.415 1.00 2.31 N ATOM 187 NH2 ARG A 12 0.482 -14.598 -1.971 1.00 3.30 N ATOM 0 H ARG A 12 2.354 -8.635 -1.570 1.00 0.40 H new ATOM 0 HA ARG A 12 4.418 -8.969 -3.416 1.00 0.48 H new ATOM 0 HB2 ARG A 12 1.398 -8.966 -3.753 1.00 0.56 H new ATOM 0 HB3 ARG A 12 2.512 -9.471 -5.008 1.00 0.56 H new ATOM 0 HG2 ARG A 12 3.341 -11.277 -3.599 1.00 0.94 H new ATOM 0 HG3 ARG A 12 2.334 -10.740 -2.269 1.00 0.94 H new ATOM 0 HD2 ARG A 12 0.303 -11.108 -3.664 1.00 1.18 H new ATOM 0 HD3 ARG A 12 1.314 -11.657 -4.985 1.00 1.18 H new ATOM 0 HE ARG A 12 2.034 -13.546 -3.569 1.00 1.76 H new ATOM 0 HH11 ARG A 12 -1.051 -11.921 -2.908 1.00 2.31 H new ATOM 0 HH12 ARG A 12 -1.609 -13.189 -1.812 1.00 2.31 H new ATOM 0 HH21 ARG A 12 1.354 -15.107 -2.115 1.00 3.30 H new ATOM 0 HH22 ARG A 12 -0.243 -14.989 -1.369 1.00 3.30 H new ATOM 201 N ALA A 13 2.448 -6.383 -4.001 1.00 0.47 N ATOM 202 CA ALA A 13 2.324 -5.147 -4.757 1.00 0.53 C ATOM 203 C ALA A 13 3.468 -4.174 -4.444 1.00 0.46 C ATOM 204 O ALA A 13 3.950 -3.456 -5.327 1.00 0.48 O ATOM 205 CB ALA A 13 0.983 -4.491 -4.495 1.00 0.63 C ATOM 0 H ALA A 13 1.687 -6.552 -3.344 1.00 0.47 H new ATOM 0 HA ALA A 13 2.387 -5.403 -5.815 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.911 -3.568 -5.070 1.00 0.63 H new ATOM 0 HB2 ALA A 13 0.182 -5.168 -4.793 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.890 -4.265 -3.433 1.00 0.63 H new ATOM 211 N LEU A 14 3.917 -4.181 -3.203 1.00 0.42 N ATOM 212 CA LEU A 14 4.991 -3.313 -2.772 1.00 0.39 C ATOM 213 C LEU A 14 6.311 -3.723 -3.440 1.00 0.40 C ATOM 214 O LEU A 14 7.139 -2.889 -3.750 1.00 0.46 O ATOM 215 CB LEU A 14 5.118 -3.331 -1.244 1.00 0.45 C ATOM 216 CG LEU A 14 6.023 -2.258 -0.623 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.477 -0.861 -0.908 1.00 0.44 C ATOM 218 CD2 LEU A 14 6.161 -2.475 0.867 1.00 1.00 C ATOM 0 H LEU A 14 3.548 -4.787 -2.470 1.00 0.42 H new ATOM 0 HA LEU A 14 4.759 -2.293 -3.078 1.00 0.39 H new ATOM 0 HB2 LEU A 14 4.121 -3.226 -0.817 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.492 -4.310 -0.944 1.00 0.45 H new ATOM 0 HG LEU A 14 7.010 -2.342 -1.078 1.00 0.54 H new ATOM 0 HD11 LEU A 14 6.133 -0.115 -0.459 1.00 0.44 H new ATOM 0 HD12 LEU A 14 5.430 -0.702 -1.985 1.00 0.44 H new ATOM 0 HD13 LEU A 14 4.477 -0.767 -0.483 1.00 0.44 H new ATOM 0 HD21 LEU A 14 6.806 -1.704 1.289 1.00 1.00 H new ATOM 0 HD22 LEU A 14 5.178 -2.421 1.335 1.00 1.00 H new ATOM 0 HD23 LEU A 14 6.598 -3.456 1.053 1.00 1.00 H new ATOM 230 N VAL A 15 6.473 -5.014 -3.672 1.00 0.44 N ATOM 231 CA VAL A 15 7.646 -5.533 -4.374 1.00 0.53 C ATOM 232 C VAL A 15 7.530 -5.238 -5.870 1.00 0.55 C ATOM 233 O VAL A 15 8.435 -4.668 -6.469 1.00 0.64 O ATOM 234 CB VAL A 15 7.807 -7.072 -4.157 1.00 0.61 C ATOM 235 CG1 VAL A 15 8.973 -7.623 -4.969 1.00 0.74 C ATOM 236 CG2 VAL A 15 7.998 -7.390 -2.684 1.00 0.64 C ATOM 0 H VAL A 15 5.806 -5.730 -3.385 1.00 0.44 H new ATOM 0 HA VAL A 15 8.526 -5.037 -3.966 1.00 0.53 H new ATOM 0 HB VAL A 15 6.892 -7.553 -4.503 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.061 -8.696 -4.798 1.00 0.74 H new ATOM 0 HG12 VAL A 15 8.798 -7.438 -6.029 1.00 0.74 H new ATOM 0 HG13 VAL A 15 9.895 -7.130 -4.662 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.108 -8.467 -2.556 1.00 0.64 H new ATOM 0 HG22 VAL A 15 8.893 -6.887 -2.316 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.131 -7.044 -2.122 1.00 0.64 H new ATOM 246 N GLU A 16 6.392 -5.613 -6.464 1.00 0.59 N ATOM 247 CA GLU A 16 6.156 -5.447 -7.917 1.00 0.69 C ATOM 248 C GLU A 16 6.287 -3.982 -8.383 1.00 0.65 C ATOM 249 O GLU A 16 6.552 -3.715 -9.558 1.00 0.77 O ATOM 250 CB GLU A 16 4.785 -6.015 -8.344 1.00 0.89 C ATOM 251 CG GLU A 16 4.605 -7.487 -8.015 1.00 1.11 C ATOM 252 CD GLU A 16 3.409 -8.107 -8.706 1.00 1.54 C ATOM 253 OE1 GLU A 16 3.575 -8.549 -9.891 1.00 1.95 O ATOM 254 OE2 GLU A 16 2.325 -8.223 -8.082 1.00 2.18 O ATOM 0 H GLU A 16 5.611 -6.037 -5.964 1.00 0.59 H new ATOM 0 HA GLU A 16 6.942 -6.021 -8.408 1.00 0.69 H new ATOM 0 HB2 GLU A 16 3.996 -5.443 -7.855 1.00 0.89 H new ATOM 0 HB3 GLU A 16 4.662 -5.874 -9.418 1.00 0.89 H new ATOM 0 HG2 GLU A 16 5.505 -8.030 -8.302 1.00 1.11 H new ATOM 0 HG3 GLU A 16 4.494 -7.601 -6.937 1.00 1.11 H new ATOM 261 N SER A 17 6.115 -3.050 -7.466 1.00 0.59 N ATOM 262 CA SER A 17 6.209 -1.645 -7.795 1.00 0.64 C ATOM 263 C SER A 17 7.631 -1.101 -7.562 1.00 0.74 C ATOM 264 O SER A 17 7.939 0.021 -7.956 1.00 1.04 O ATOM 265 CB SER A 17 5.207 -0.866 -6.965 1.00 0.68 C ATOM 266 OG SER A 17 3.908 -1.428 -7.109 1.00 1.27 O ATOM 0 H SER A 17 5.909 -3.243 -6.486 1.00 0.59 H new ATOM 0 HA SER A 17 5.983 -1.525 -8.855 1.00 0.64 H new ATOM 0 HB2 SER A 17 5.503 -0.880 -5.916 1.00 0.68 H new ATOM 0 HB3 SER A 17 5.197 0.178 -7.279 1.00 0.68 H new ATOM 0 HG SER A 17 3.817 -2.198 -6.510 1.00 1.27 H new ATOM 272 N ALA A 18 8.489 -1.900 -6.943 1.00 0.70 N ATOM 273 CA ALA A 18 9.847 -1.466 -6.643 1.00 0.87 C ATOM 274 C ALA A 18 10.717 -1.600 -7.877 1.00 1.05 C ATOM 275 O ALA A 18 11.313 -0.616 -8.349 1.00 1.57 O ATOM 276 CB ALA A 18 10.437 -2.269 -5.485 1.00 0.95 C ATOM 0 H ALA A 18 8.270 -2.849 -6.640 1.00 0.70 H new ATOM 0 HA ALA A 18 9.815 -0.419 -6.342 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.451 -1.924 -5.283 1.00 0.95 H new ATOM 0 HB2 ALA A 18 9.822 -2.130 -4.596 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.459 -3.326 -5.749 1.00 0.95 H new ATOM 282 N GLY A 19 10.794 -2.795 -8.407 1.00 0.98 N ATOM 283 CA GLY A 19 11.563 -3.018 -9.588 1.00 1.32 C ATOM 284 C GLY A 19 12.153 -4.392 -9.600 1.00 1.47 C ATOM 285 O GLY A 19 11.551 -5.331 -9.084 1.00 1.85 O ATOM 0 H GLY A 19 10.331 -3.623 -8.033 1.00 0.98 H new ATOM 0 HA2 GLY A 19 10.932 -2.883 -10.466 1.00 1.32 H new ATOM 0 HA3 GLY A 19 12.360 -2.277 -9.651 1.00 1.32 H new ATOM 289 N GLU A 20 13.319 -4.531 -10.179 1.00 1.96 N ATOM 290 CA GLU A 20 13.967 -5.827 -10.262 1.00 2.68 C ATOM 291 C GLU A 20 15.206 -5.858 -9.374 1.00 2.91 C ATOM 292 O GLU A 20 16.039 -6.769 -9.445 1.00 3.66 O ATOM 293 CB GLU A 20 14.319 -6.147 -11.712 1.00 3.52 C ATOM 294 CG GLU A 20 13.121 -6.017 -12.647 1.00 4.20 C ATOM 295 CD GLU A 20 13.374 -6.571 -14.027 1.00 4.87 C ATOM 296 OE1 GLU A 20 14.083 -5.926 -14.817 1.00 5.31 O ATOM 297 OE2 GLU A 20 12.869 -7.694 -14.332 1.00 5.27 O ATOM 0 H GLU A 20 13.844 -3.765 -10.602 1.00 1.96 H new ATOM 0 HA GLU A 20 13.278 -6.592 -9.904 1.00 2.68 H new ATOM 0 HB2 GLU A 20 15.111 -5.477 -12.046 1.00 3.52 H new ATOM 0 HB3 GLU A 20 14.713 -7.161 -11.771 1.00 3.52 H new ATOM 0 HG2 GLU A 20 12.268 -6.534 -12.207 1.00 4.20 H new ATOM 0 HG3 GLU A 20 12.847 -4.965 -12.731 1.00 4.20 H new ATOM 304 N THR A 21 15.328 -4.848 -8.553 1.00 2.73 N ATOM 305 CA THR A 21 16.416 -4.728 -7.615 1.00 3.25 C ATOM 306 C THR A 21 15.890 -4.042 -6.337 1.00 3.14 C ATOM 307 O THR A 21 15.860 -2.801 -6.233 1.00 3.43 O ATOM 308 CB THR A 21 17.601 -3.935 -8.240 1.00 3.93 C ATOM 309 OG1 THR A 21 18.032 -4.612 -9.459 1.00 4.30 O ATOM 310 CG2 THR A 21 18.776 -3.867 -7.265 1.00 4.40 C ATOM 0 H THR A 21 14.665 -4.074 -8.516 1.00 2.73 H new ATOM 0 HA THR A 21 16.796 -5.717 -7.361 1.00 3.25 H new ATOM 0 HB THR A 21 17.270 -2.921 -8.463 1.00 3.93 H new ATOM 0 HG1 THR A 21 18.777 -4.119 -9.861 1.00 4.30 H new ATOM 0 HG21 THR A 21 19.594 -3.309 -7.720 1.00 4.40 H new ATOM 0 HG22 THR A 21 18.461 -3.367 -6.349 1.00 4.40 H new ATOM 0 HG23 THR A 21 19.112 -4.877 -7.029 1.00 4.40 H new ATOM 318 N ASP A 22 15.341 -4.861 -5.463 1.00 3.24 N ATOM 319 CA ASP A 22 14.790 -4.423 -4.177 1.00 3.46 C ATOM 320 C ASP A 22 15.873 -3.738 -3.338 1.00 3.15 C ATOM 321 O ASP A 22 17.037 -4.155 -3.333 1.00 3.71 O ATOM 322 CB ASP A 22 14.226 -5.620 -3.402 1.00 4.08 C ATOM 323 CG ASP A 22 13.242 -6.434 -4.209 1.00 4.82 C ATOM 324 OD1 ASP A 22 13.682 -7.367 -4.932 1.00 5.14 O ATOM 325 OD2 ASP A 22 12.052 -6.162 -4.136 1.00 5.44 O ATOM 0 H ASP A 22 15.259 -5.866 -5.619 1.00 3.24 H new ATOM 0 HA ASP A 22 13.987 -3.713 -4.375 1.00 3.46 H new ATOM 0 HB2 ASP A 22 15.048 -6.262 -3.087 1.00 4.08 H new ATOM 0 HB3 ASP A 22 13.737 -5.262 -2.496 1.00 4.08 H new ATOM 330 N GLY A 23 15.500 -2.679 -2.645 1.00 2.69 N ATOM 331 CA GLY A 23 16.477 -1.939 -1.863 1.00 2.70 C ATOM 332 C GLY A 23 16.412 -2.231 -0.370 1.00 2.24 C ATOM 333 O GLY A 23 17.362 -1.938 0.369 1.00 2.70 O ATOM 0 H GLY A 23 14.548 -2.316 -2.605 1.00 2.69 H new ATOM 0 HA2 GLY A 23 17.476 -2.176 -2.228 1.00 2.70 H new ATOM 0 HA3 GLY A 23 16.324 -0.872 -2.023 1.00 2.70 H new ATOM 337 N THR A 24 15.318 -2.803 0.079 1.00 1.89 N ATOM 338 CA THR A 24 15.121 -3.095 1.486 1.00 1.88 C ATOM 339 C THR A 24 14.640 -4.541 1.682 1.00 1.65 C ATOM 340 O THR A 24 14.787 -5.361 0.776 1.00 2.03 O ATOM 341 CB THR A 24 14.121 -2.104 2.112 1.00 2.50 C ATOM 342 OG1 THR A 24 12.981 -1.955 1.246 1.00 3.09 O ATOM 343 CG2 THR A 24 14.772 -0.746 2.351 1.00 2.87 C ATOM 0 H THR A 24 14.539 -3.080 -0.518 1.00 1.89 H new ATOM 0 HA THR A 24 16.080 -2.983 1.992 1.00 1.88 H new ATOM 0 HB THR A 24 13.800 -2.501 3.075 1.00 2.50 H new ATOM 0 HG1 THR A 24 12.743 -1.007 1.178 1.00 3.09 H new ATOM 0 HG21 THR A 24 14.044 -0.066 2.793 1.00 2.87 H new ATOM 0 HG22 THR A 24 15.618 -0.862 3.028 1.00 2.87 H new ATOM 0 HG23 THR A 24 15.120 -0.337 1.402 1.00 2.87 H new ATOM 351 N ASP A 25 14.064 -4.844 2.840 1.00 1.52 N ATOM 352 CA ASP A 25 13.531 -6.171 3.133 1.00 1.56 C ATOM 353 C ASP A 25 12.194 -6.019 3.796 1.00 1.29 C ATOM 354 O ASP A 25 11.991 -5.107 4.594 1.00 1.63 O ATOM 355 CB ASP A 25 14.481 -6.999 4.049 1.00 2.14 C ATOM 356 CG ASP A 25 13.899 -8.382 4.416 1.00 2.62 C ATOM 357 OD1 ASP A 25 13.097 -8.478 5.370 1.00 3.06 O ATOM 358 OD2 ASP A 25 14.215 -9.381 3.738 1.00 3.01 O ATOM 0 H ASP A 25 13.953 -4.177 3.603 1.00 1.52 H new ATOM 0 HA ASP A 25 13.436 -6.714 2.193 1.00 1.56 H new ATOM 0 HB2 ASP A 25 15.438 -7.134 3.545 1.00 2.14 H new ATOM 0 HB3 ASP A 25 14.678 -6.438 4.963 1.00 2.14 H new ATOM 363 N LEU A 26 11.282 -6.871 3.441 1.00 1.14 N ATOM 364 CA LEU A 26 9.961 -6.891 4.014 1.00 0.93 C ATOM 365 C LEU A 26 9.526 -8.340 4.176 1.00 0.97 C ATOM 366 O LEU A 26 8.354 -8.687 4.041 1.00 1.44 O ATOM 367 CB LEU A 26 8.925 -6.083 3.164 1.00 1.11 C ATOM 368 CG LEU A 26 8.731 -6.459 1.677 1.00 0.87 C ATOM 369 CD1 LEU A 26 7.434 -5.864 1.175 1.00 1.38 C ATOM 370 CD2 LEU A 26 9.871 -5.921 0.818 1.00 1.53 C ATOM 0 H LEU A 26 11.433 -7.588 2.731 1.00 1.14 H new ATOM 0 HA LEU A 26 9.997 -6.399 4.986 1.00 0.93 H new ATOM 0 HB2 LEU A 26 7.956 -6.168 3.656 1.00 1.11 H new ATOM 0 HB3 LEU A 26 9.212 -5.032 3.205 1.00 1.11 H new ATOM 0 HG LEU A 26 8.714 -7.546 1.604 1.00 0.87 H new ATOM 0 HD11 LEU A 26 7.295 -6.128 0.127 1.00 1.38 H new ATOM 0 HD12 LEU A 26 6.603 -6.256 1.761 1.00 1.38 H new ATOM 0 HD13 LEU A 26 7.469 -4.779 1.275 1.00 1.38 H new ATOM 0 HD21 LEU A 26 9.706 -6.202 -0.222 1.00 1.53 H new ATOM 0 HD22 LEU A 26 9.907 -4.835 0.900 1.00 1.53 H new ATOM 0 HD23 LEU A 26 10.816 -6.342 1.162 1.00 1.53 H new ATOM 382 N SER A 27 10.482 -9.176 4.540 1.00 1.01 N ATOM 383 CA SER A 27 10.259 -10.600 4.696 1.00 1.18 C ATOM 384 C SER A 27 9.736 -10.918 6.109 1.00 1.27 C ATOM 385 O SER A 27 9.671 -12.092 6.530 1.00 1.98 O ATOM 386 CB SER A 27 11.570 -11.335 4.431 1.00 1.52 C ATOM 387 OG SER A 27 12.119 -10.942 3.176 1.00 2.26 O ATOM 0 H SER A 27 11.439 -8.883 4.736 1.00 1.01 H new ATOM 0 HA SER A 27 9.504 -10.930 3.982 1.00 1.18 H new ATOM 0 HB2 SER A 27 12.281 -11.121 5.229 1.00 1.52 H new ATOM 0 HB3 SER A 27 11.398 -12.411 4.438 1.00 1.52 H new ATOM 0 HG SER A 27 13.022 -10.586 3.311 1.00 2.26 H new ATOM 393 N GLY A 28 9.386 -9.876 6.826 1.00 1.18 N ATOM 394 CA GLY A 28 8.823 -10.005 8.127 1.00 1.46 C ATOM 395 C GLY A 28 7.680 -9.054 8.306 1.00 1.19 C ATOM 396 O GLY A 28 6.669 -9.149 7.611 1.00 1.73 O ATOM 0 H GLY A 28 9.489 -8.912 6.510 1.00 1.18 H new ATOM 0 HA2 GLY A 28 8.479 -11.028 8.280 1.00 1.46 H new ATOM 0 HA3 GLY A 28 9.586 -9.810 8.880 1.00 1.46 H new ATOM 400 N ASP A 29 7.842 -8.113 9.190 1.00 0.90 N ATOM 401 CA ASP A 29 6.811 -7.116 9.425 1.00 0.83 C ATOM 402 C ASP A 29 7.311 -5.783 8.911 1.00 0.79 C ATOM 403 O ASP A 29 8.462 -5.404 9.161 1.00 1.33 O ATOM 404 CB ASP A 29 6.466 -6.993 10.924 1.00 1.20 C ATOM 405 CG ASP A 29 5.279 -6.059 11.183 1.00 1.95 C ATOM 406 OD1 ASP A 29 5.422 -4.816 11.013 1.00 2.68 O ATOM 407 OD2 ASP A 29 4.195 -6.564 11.557 1.00 2.44 O ATOM 0 H ASP A 29 8.676 -8.006 9.767 1.00 0.90 H new ATOM 0 HA ASP A 29 5.904 -7.421 8.903 1.00 0.83 H new ATOM 0 HB2 ASP A 29 6.239 -7.982 11.323 1.00 1.20 H new ATOM 0 HB3 ASP A 29 7.338 -6.624 11.464 1.00 1.20 H new ATOM 412 N PHE A 30 6.487 -5.104 8.167 1.00 0.42 N ATOM 413 CA PHE A 30 6.799 -3.815 7.651 1.00 0.36 C ATOM 414 C PHE A 30 5.655 -2.867 7.961 1.00 0.32 C ATOM 415 O PHE A 30 5.611 -1.754 7.472 1.00 0.35 O ATOM 416 CB PHE A 30 7.073 -3.887 6.125 1.00 0.37 C ATOM 417 CG PHE A 30 5.885 -4.299 5.284 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.493 -5.628 5.187 1.00 0.40 C ATOM 419 CD2 PHE A 30 5.161 -3.349 4.584 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.411 -5.986 4.415 1.00 0.46 C ATOM 421 CE2 PHE A 30 4.077 -3.708 3.809 1.00 0.42 C ATOM 422 CZ PHE A 30 3.702 -5.018 3.728 1.00 0.46 C ATOM 0 H PHE A 30 5.563 -5.443 7.900 1.00 0.42 H new ATOM 0 HA PHE A 30 7.707 -3.442 8.125 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.419 -2.910 5.786 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.886 -4.591 5.949 1.00 0.37 H new ATOM 0 HD1 PHE A 30 6.043 -6.388 5.723 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.449 -2.310 4.645 1.00 0.38 H new ATOM 0 HE1 PHE A 30 4.116 -7.023 4.346 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.526 -2.953 3.267 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.850 -5.299 3.126 1.00 0.46 H new ATOM 432 N LEU A 31 4.757 -3.306 8.820 1.00 0.35 N ATOM 433 CA LEU A 31 3.592 -2.532 9.194 1.00 0.36 C ATOM 434 C LEU A 31 3.984 -1.567 10.279 1.00 0.39 C ATOM 435 O LEU A 31 3.439 -0.464 10.383 1.00 0.46 O ATOM 436 CB LEU A 31 2.474 -3.443 9.685 1.00 0.40 C ATOM 437 CG LEU A 31 1.964 -4.470 8.666 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.905 -5.341 9.279 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.428 -3.782 7.416 1.00 0.38 C ATOM 0 H LEU A 31 4.816 -4.214 9.280 1.00 0.35 H new ATOM 0 HA LEU A 31 3.225 -1.988 8.324 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.825 -3.977 10.568 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.635 -2.822 10.000 1.00 0.40 H new ATOM 0 HG LEU A 31 2.805 -5.098 8.373 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.556 -6.063 8.541 1.00 0.45 H new ATOM 0 HD12 LEU A 31 1.321 -5.871 10.136 1.00 0.45 H new ATOM 0 HD13 LEU A 31 0.069 -4.722 9.605 1.00 0.45 H new ATOM 0 HD21 LEU A 31 1.073 -4.534 6.711 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.604 -3.123 7.689 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.223 -3.197 6.953 1.00 0.38 H new ATOM 451 N ASP A 32 4.945 -2.007 11.085 1.00 0.43 N ATOM 452 CA ASP A 32 5.569 -1.190 12.148 1.00 0.52 C ATOM 453 C ASP A 32 6.732 -0.399 11.551 1.00 0.50 C ATOM 454 O ASP A 32 7.355 0.431 12.195 1.00 0.66 O ATOM 455 CB ASP A 32 6.054 -2.118 13.285 1.00 0.69 C ATOM 456 CG ASP A 32 6.741 -1.402 14.438 1.00 1.46 C ATOM 457 OD1 ASP A 32 6.076 -0.602 15.156 1.00 1.95 O ATOM 458 OD2 ASP A 32 7.957 -1.664 14.675 1.00 2.20 O ATOM 0 H ASP A 32 5.325 -2.952 11.026 1.00 0.43 H new ATOM 0 HA ASP A 32 4.846 -0.487 12.562 1.00 0.52 H new ATOM 0 HB2 ASP A 32 5.199 -2.670 13.675 1.00 0.69 H new ATOM 0 HB3 ASP A 32 6.744 -2.852 12.868 1.00 0.69 H new ATOM 463 N LEU A 33 6.985 -0.659 10.288 1.00 0.42 N ATOM 464 CA LEU A 33 8.029 0.002 9.536 1.00 0.50 C ATOM 465 C LEU A 33 7.510 1.308 8.907 1.00 0.45 C ATOM 466 O LEU A 33 6.311 1.517 8.807 1.00 0.57 O ATOM 467 CB LEU A 33 8.636 -0.957 8.470 1.00 0.66 C ATOM 468 CG LEU A 33 9.568 -2.073 8.976 1.00 0.80 C ATOM 469 CD1 LEU A 33 10.164 -2.850 7.817 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.676 -1.512 9.830 1.00 1.18 C ATOM 0 H LEU A 33 6.463 -1.347 9.745 1.00 0.42 H new ATOM 0 HA LEU A 33 8.831 0.271 10.223 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.813 -1.424 7.928 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.190 -0.355 7.750 1.00 0.66 H new ATOM 0 HG LEU A 33 8.965 -2.748 9.583 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.818 -3.632 8.202 1.00 1.52 H new ATOM 0 HD12 LEU A 33 9.363 -3.302 7.232 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.739 -2.175 7.184 1.00 1.52 H new ATOM 0 HD21 LEU A 33 11.318 -2.324 10.173 1.00 1.18 H new ATOM 0 HD22 LEU A 33 11.265 -0.806 9.244 1.00 1.18 H new ATOM 0 HD23 LEU A 33 10.248 -1.000 10.692 1.00 1.18 H new ATOM 482 N ARG A 34 8.422 2.173 8.513 1.00 0.43 N ATOM 483 CA ARG A 34 8.084 3.491 7.970 1.00 0.42 C ATOM 484 C ARG A 34 8.313 3.518 6.463 1.00 0.36 C ATOM 485 O ARG A 34 9.125 2.749 5.945 1.00 0.45 O ATOM 486 CB ARG A 34 8.954 4.552 8.657 1.00 0.58 C ATOM 487 CG ARG A 34 8.640 4.749 10.123 1.00 0.77 C ATOM 488 CD ARG A 34 9.692 5.611 10.809 1.00 1.08 C ATOM 489 NE ARG A 34 9.863 6.938 10.187 1.00 1.82 N ATOM 490 CZ ARG A 34 10.669 7.888 10.669 1.00 2.41 C ATOM 491 NH1 ARG A 34 11.304 7.704 11.826 1.00 2.43 N ATOM 492 NH2 ARG A 34 10.829 9.015 9.999 1.00 3.44 N ATOM 0 H ARG A 34 9.424 1.990 8.557 1.00 0.43 H new ATOM 0 HA ARG A 34 7.032 3.703 8.159 1.00 0.42 H new ATOM 0 HB2 ARG A 34 10.002 4.270 8.555 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.828 5.502 8.138 1.00 0.58 H new ATOM 0 HG2 ARG A 34 7.661 5.217 10.227 1.00 0.77 H new ATOM 0 HG3 ARG A 34 8.584 3.779 10.618 1.00 0.77 H new ATOM 0 HD2 ARG A 34 9.417 5.742 11.856 1.00 1.08 H new ATOM 0 HD3 ARG A 34 10.647 5.086 10.794 1.00 1.08 H new ATOM 0 HE ARG A 34 9.335 7.142 9.339 1.00 1.82 H new ATOM 0 HH11 ARG A 34 11.175 6.836 12.346 1.00 2.43 H new ATOM 0 HH12 ARG A 34 11.919 8.431 12.192 1.00 2.43 H new ATOM 0 HH21 ARG A 34 10.338 9.158 9.117 1.00 3.44 H new ATOM 0 HH22 ARG A 34 11.444 9.743 10.364 1.00 3.44 H new ATOM 506 N PHE A 35 7.631 4.414 5.765 1.00 0.33 N ATOM 507 CA PHE A 35 7.734 4.497 4.303 1.00 0.33 C ATOM 508 C PHE A 35 9.108 4.992 3.858 1.00 0.38 C ATOM 509 O PHE A 35 9.682 4.470 2.887 1.00 0.43 O ATOM 510 CB PHE A 35 6.640 5.388 3.705 1.00 0.34 C ATOM 511 CG PHE A 35 5.241 4.853 3.857 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.849 3.702 3.182 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.318 5.494 4.661 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.570 3.212 3.310 1.00 0.50 C ATOM 515 CE2 PHE A 35 3.029 5.005 4.789 1.00 0.48 C ATOM 516 CZ PHE A 35 2.657 3.865 4.112 1.00 0.51 C ATOM 0 H PHE A 35 6.998 5.097 6.181 1.00 0.33 H new ATOM 0 HA PHE A 35 7.596 3.483 3.928 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.692 6.370 4.176 1.00 0.34 H new ATOM 0 HB3 PHE A 35 6.846 5.532 2.644 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.557 3.187 2.550 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.605 6.387 5.196 1.00 0.40 H new ATOM 0 HE1 PHE A 35 3.280 2.315 2.782 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.316 5.517 5.419 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.652 3.483 4.209 1.00 0.51 H new ATOM 526 N GLU A 36 9.653 5.949 4.581 1.00 0.48 N ATOM 527 CA GLU A 36 10.949 6.529 4.243 1.00 0.62 C ATOM 528 C GLU A 36 12.028 5.496 4.494 1.00 0.63 C ATOM 529 O GLU A 36 13.068 5.476 3.829 1.00 0.72 O ATOM 530 CB GLU A 36 11.278 7.783 5.087 1.00 0.83 C ATOM 531 CG GLU A 36 10.086 8.664 5.465 1.00 1.40 C ATOM 532 CD GLU A 36 9.440 8.215 6.762 1.00 1.83 C ATOM 533 OE1 GLU A 36 8.871 7.117 6.802 1.00 2.73 O ATOM 534 OE2 GLU A 36 9.540 8.940 7.762 1.00 1.89 O ATOM 0 H GLU A 36 9.219 6.348 5.414 1.00 0.48 H new ATOM 0 HA GLU A 36 10.908 6.828 3.195 1.00 0.62 H new ATOM 0 HB2 GLU A 36 11.773 7.461 6.003 1.00 0.83 H new ATOM 0 HB3 GLU A 36 11.994 8.391 4.535 1.00 0.83 H new ATOM 0 HG2 GLU A 36 10.416 9.698 5.563 1.00 1.40 H new ATOM 0 HG3 GLU A 36 9.347 8.639 4.664 1.00 1.40 H new ATOM 541 N ASP A 37 11.751 4.623 5.445 1.00 0.61 N ATOM 542 CA ASP A 37 12.674 3.578 5.858 1.00 0.70 C ATOM 543 C ASP A 37 12.761 2.534 4.748 1.00 0.69 C ATOM 544 O ASP A 37 13.852 2.198 4.291 1.00 0.82 O ATOM 545 CB ASP A 37 12.192 2.940 7.187 1.00 0.77 C ATOM 546 CG ASP A 37 13.218 2.042 7.856 1.00 0.98 C ATOM 547 OD1 ASP A 37 13.372 0.887 7.454 1.00 1.36 O ATOM 548 OD2 ASP A 37 13.860 2.492 8.841 1.00 1.27 O ATOM 0 H ASP A 37 10.870 4.618 5.959 1.00 0.61 H new ATOM 0 HA ASP A 37 13.665 3.998 6.030 1.00 0.70 H new ATOM 0 HB2 ASP A 37 11.916 3.735 7.879 1.00 0.77 H new ATOM 0 HB3 ASP A 37 11.290 2.360 6.992 1.00 0.77 H new ATOM 553 N ILE A 38 11.591 2.108 4.229 1.00 0.59 N ATOM 554 CA ILE A 38 11.541 1.091 3.162 1.00 0.63 C ATOM 555 C ILE A 38 11.966 1.613 1.778 1.00 0.63 C ATOM 556 O ILE A 38 12.101 0.824 0.841 1.00 0.66 O ATOM 557 CB ILE A 38 10.166 0.357 3.038 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.012 1.358 2.799 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.907 -0.498 4.267 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.637 0.718 2.638 1.00 0.54 C ATOM 0 H ILE A 38 10.678 2.449 4.529 1.00 0.59 H new ATOM 0 HA ILE A 38 12.282 0.363 3.494 1.00 0.63 H new ATOM 0 HB ILE A 38 10.210 -0.299 2.169 1.00 0.59 H new ATOM 0 HG12 ILE A 38 8.977 2.057 3.634 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.234 1.941 1.905 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.946 -1.002 4.164 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.698 -1.242 4.366 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.891 0.135 5.154 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.891 1.495 2.475 1.00 0.54 H new ATOM 0 HD12 ILE A 38 7.649 0.041 1.784 1.00 0.54 H new ATOM 0 HD13 ILE A 38 7.388 0.160 3.540 1.00 0.54 H new ATOM 572 N GLY A 39 12.205 2.905 1.669 1.00 0.63 N ATOM 573 CA GLY A 39 12.669 3.469 0.411 1.00 0.68 C ATOM 574 C GLY A 39 11.541 3.967 -0.484 1.00 0.59 C ATOM 575 O GLY A 39 11.693 4.049 -1.709 1.00 0.70 O ATOM 0 H GLY A 39 12.088 3.580 2.425 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.348 4.296 0.621 1.00 0.68 H new ATOM 0 HA3 GLY A 39 13.243 2.714 -0.127 1.00 0.68 H new ATOM 579 N TYR A 40 10.424 4.298 0.105 1.00 0.45 N ATOM 580 CA TYR A 40 9.307 4.807 -0.647 1.00 0.45 C ATOM 581 C TYR A 40 9.033 6.241 -0.323 1.00 0.47 C ATOM 582 O TYR A 40 8.612 6.573 0.784 1.00 0.62 O ATOM 583 CB TYR A 40 8.058 3.932 -0.502 1.00 0.42 C ATOM 584 CG TYR A 40 8.111 2.705 -1.383 1.00 0.46 C ATOM 585 CD1 TYR A 40 7.632 2.774 -2.673 1.00 0.57 C ATOM 586 CD2 TYR A 40 8.659 1.506 -0.949 1.00 0.53 C ATOM 587 CE1 TYR A 40 7.690 1.699 -3.516 1.00 0.68 C ATOM 588 CE2 TYR A 40 8.713 0.412 -1.790 1.00 0.60 C ATOM 589 CZ TYR A 40 8.227 0.524 -3.084 1.00 0.67 C ATOM 590 OH TYR A 40 8.284 -0.523 -3.940 1.00 0.78 O ATOM 0 H TYR A 40 10.262 4.224 1.109 1.00 0.45 H new ATOM 0 HA TYR A 40 9.588 4.764 -1.699 1.00 0.45 H new ATOM 0 HB2 TYR A 40 7.951 3.625 0.538 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.175 4.519 -0.753 1.00 0.42 H new ATOM 0 HD1 TYR A 40 7.201 3.699 -3.027 1.00 0.57 H new ATOM 0 HD2 TYR A 40 9.047 1.428 0.056 1.00 0.53 H new ATOM 0 HE1 TYR A 40 7.310 1.781 -4.524 1.00 0.68 H new ATOM 0 HE2 TYR A 40 9.130 -0.522 -1.443 1.00 0.60 H new ATOM 0 HH TYR A 40 7.803 -1.286 -3.557 1.00 0.78 H new ATOM 600 N ASP A 41 9.271 7.098 -1.304 1.00 0.55 N ATOM 601 CA ASP A 41 9.098 8.541 -1.131 1.00 0.69 C ATOM 602 C ASP A 41 7.655 8.902 -1.284 1.00 0.85 C ATOM 603 O ASP A 41 6.979 9.234 -0.329 1.00 1.62 O ATOM 604 CB ASP A 41 9.893 9.365 -2.178 1.00 0.82 C ATOM 605 CG ASP A 41 11.395 9.246 -2.089 1.00 0.99 C ATOM 606 OD1 ASP A 41 11.952 8.314 -2.706 1.00 1.32 O ATOM 607 OD2 ASP A 41 12.035 10.126 -1.464 1.00 1.27 O ATOM 0 H ASP A 41 9.586 6.822 -2.234 1.00 0.55 H new ATOM 0 HA ASP A 41 9.470 8.779 -0.134 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.579 9.054 -3.175 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.622 10.415 -2.071 1.00 0.82 H new ATOM 612 N SER A 42 7.194 8.806 -2.517 1.00 0.50 N ATOM 613 CA SER A 42 5.865 9.205 -2.883 1.00 0.53 C ATOM 614 C SER A 42 5.590 8.731 -4.309 1.00 0.51 C ATOM 615 O SER A 42 4.641 7.997 -4.552 1.00 0.48 O ATOM 616 CB SER A 42 5.765 10.727 -2.765 1.00 0.69 C ATOM 617 OG SER A 42 4.491 11.240 -3.218 1.00 1.05 O ATOM 0 H SER A 42 7.745 8.444 -3.295 1.00 0.50 H new ATOM 0 HA SER A 42 5.119 8.760 -2.224 1.00 0.53 H new ATOM 0 HB2 SER A 42 5.920 11.018 -1.726 1.00 0.69 H new ATOM 0 HB3 SER A 42 6.564 11.186 -3.347 1.00 0.69 H new ATOM 622 N LEU A 43 6.481 9.121 -5.243 1.00 0.57 N ATOM 623 CA LEU A 43 6.391 8.745 -6.667 1.00 0.62 C ATOM 624 C LEU A 43 6.235 7.233 -6.813 1.00 0.56 C ATOM 625 O LEU A 43 5.269 6.761 -7.396 1.00 0.58 O ATOM 626 CB LEU A 43 7.646 9.280 -7.431 1.00 0.74 C ATOM 627 CG LEU A 43 7.729 9.136 -8.985 1.00 0.86 C ATOM 628 CD1 LEU A 43 8.022 7.705 -9.437 1.00 1.40 C ATOM 629 CD2 LEU A 43 6.458 9.665 -9.655 1.00 1.19 C ATOM 0 H LEU A 43 7.287 9.708 -5.029 1.00 0.57 H new ATOM 0 HA LEU A 43 5.506 9.202 -7.110 1.00 0.62 H new ATOM 0 HB2 LEU A 43 7.741 10.340 -7.197 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.519 8.781 -7.011 1.00 0.74 H new ATOM 0 HG LEU A 43 8.575 9.745 -9.304 1.00 0.86 H new ATOM 0 HD11 LEU A 43 8.067 7.669 -10.525 1.00 1.40 H new ATOM 0 HD12 LEU A 43 8.977 7.381 -9.023 1.00 1.40 H new ATOM 0 HD13 LEU A 43 7.231 7.043 -9.085 1.00 1.40 H new ATOM 0 HD21 LEU A 43 6.543 9.553 -10.736 1.00 1.19 H new ATOM 0 HD22 LEU A 43 5.597 9.101 -9.298 1.00 1.19 H new ATOM 0 HD23 LEU A 43 6.329 10.719 -9.409 1.00 1.19 H new ATOM 641 N ALA A 44 7.166 6.488 -6.234 1.00 0.54 N ATOM 642 CA ALA A 44 7.133 5.039 -6.303 1.00 0.54 C ATOM 643 C ALA A 44 5.978 4.452 -5.474 1.00 0.47 C ATOM 644 O ALA A 44 5.461 3.370 -5.763 1.00 0.53 O ATOM 645 CB ALA A 44 8.462 4.458 -5.850 1.00 0.59 C ATOM 0 H ALA A 44 7.955 6.867 -5.710 1.00 0.54 H new ATOM 0 HA ALA A 44 6.961 4.763 -7.343 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.422 3.370 -5.907 1.00 0.59 H new ATOM 0 HB2 ALA A 44 9.259 4.826 -6.496 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.660 4.760 -4.822 1.00 0.59 H new ATOM 651 N LEU A 45 5.553 5.209 -4.481 1.00 0.42 N ATOM 652 CA LEU A 45 4.527 4.771 -3.557 1.00 0.38 C ATOM 653 C LEU A 45 3.140 4.841 -4.212 1.00 0.37 C ATOM 654 O LEU A 45 2.329 3.915 -4.041 1.00 0.39 O ATOM 655 CB LEU A 45 4.627 5.585 -2.254 1.00 0.35 C ATOM 656 CG LEU A 45 3.802 5.126 -1.033 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.387 5.742 0.217 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.355 5.555 -1.153 1.00 0.53 C ATOM 0 H LEU A 45 5.910 6.146 -4.293 1.00 0.42 H new ATOM 0 HA LEU A 45 4.682 3.724 -3.296 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.675 5.607 -1.956 1.00 0.35 H new ATOM 0 HB3 LEU A 45 4.339 6.611 -2.482 1.00 0.35 H new ATOM 0 HG LEU A 45 3.840 4.038 -0.985 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.810 5.423 1.085 1.00 0.38 H new ATOM 0 HD12 LEU A 45 5.422 5.420 0.331 1.00 0.38 H new ATOM 0 HD13 LEU A 45 4.352 6.829 0.138 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.801 5.216 -0.277 1.00 0.53 H new ATOM 0 HD22 LEU A 45 2.302 6.642 -1.218 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.919 5.116 -2.050 1.00 0.53 H new ATOM 670 N MET A 46 2.852 5.901 -4.978 1.00 0.37 N ATOM 671 CA MET A 46 1.567 5.958 -5.677 1.00 0.40 C ATOM 672 C MET A 46 1.441 4.827 -6.675 1.00 0.35 C ATOM 673 O MET A 46 0.371 4.243 -6.833 1.00 0.36 O ATOM 674 CB MET A 46 1.308 7.314 -6.333 1.00 0.52 C ATOM 675 CG MET A 46 1.161 8.458 -5.343 1.00 0.70 C ATOM 676 SD MET A 46 0.620 9.989 -6.118 1.00 0.96 S ATOM 677 CE MET A 46 -0.988 9.510 -6.770 1.00 2.41 C ATOM 0 H MET A 46 3.467 6.702 -5.125 1.00 0.37 H new ATOM 0 HA MET A 46 0.793 5.833 -4.920 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.128 7.539 -7.015 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.402 7.248 -6.935 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.445 8.174 -4.571 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.116 8.626 -4.845 1.00 0.70 H new ATOM 0 HE1 MET A 46 -1.606 10.398 -6.904 1.00 2.41 H new ATOM 0 HE2 MET A 46 -0.857 9.011 -7.730 1.00 2.41 H new ATOM 0 HE3 MET A 46 -1.476 8.831 -6.071 1.00 2.41 H new ATOM 687 N GLU A 47 2.562 4.479 -7.305 1.00 0.37 N ATOM 688 CA GLU A 47 2.617 3.338 -8.225 1.00 0.39 C ATOM 689 C GLU A 47 2.238 2.038 -7.545 1.00 0.37 C ATOM 690 O GLU A 47 1.632 1.166 -8.164 1.00 0.43 O ATOM 691 CB GLU A 47 3.982 3.238 -8.901 1.00 0.48 C ATOM 692 CG GLU A 47 4.074 4.071 -10.157 1.00 0.68 C ATOM 693 CD GLU A 47 3.243 3.470 -11.276 1.00 1.41 C ATOM 694 OE1 GLU A 47 2.007 3.461 -11.187 1.00 2.15 O ATOM 695 OE2 GLU A 47 3.827 2.930 -12.221 1.00 1.84 O ATOM 0 H GLU A 47 3.449 4.971 -7.196 1.00 0.37 H new ATOM 0 HA GLU A 47 1.873 3.516 -9.001 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.754 3.558 -8.201 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.186 2.196 -9.146 1.00 0.48 H new ATOM 0 HG2 GLU A 47 3.731 5.085 -9.950 1.00 0.68 H new ATOM 0 HG3 GLU A 47 5.115 4.144 -10.472 1.00 0.68 H new ATOM 702 N THR A 48 2.565 1.930 -6.265 1.00 0.36 N ATOM 703 CA THR A 48 2.236 0.769 -5.468 1.00 0.39 C ATOM 704 C THR A 48 0.709 0.716 -5.228 1.00 0.35 C ATOM 705 O THR A 48 0.049 -0.288 -5.549 1.00 0.40 O ATOM 706 CB THR A 48 2.970 0.852 -4.116 1.00 0.43 C ATOM 707 OG1 THR A 48 4.370 1.082 -4.339 1.00 0.51 O ATOM 708 CG2 THR A 48 2.794 -0.435 -3.322 1.00 0.51 C ATOM 0 H THR A 48 3.069 2.653 -5.752 1.00 0.36 H new ATOM 0 HA THR A 48 2.547 -0.133 -5.996 1.00 0.39 H new ATOM 0 HB THR A 48 2.543 1.677 -3.545 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.500 1.985 -4.698 1.00 0.51 H new ATOM 0 HG21 THR A 48 3.321 -0.351 -2.372 1.00 0.51 H new ATOM 0 HG22 THR A 48 1.734 -0.605 -3.135 1.00 0.51 H new ATOM 0 HG23 THR A 48 3.201 -1.272 -3.890 1.00 0.51 H new ATOM 716 N ALA A 49 0.174 1.807 -4.682 1.00 0.31 N ATOM 717 CA ALA A 49 -1.248 1.928 -4.339 1.00 0.32 C ATOM 718 C ALA A 49 -2.132 1.677 -5.552 1.00 0.30 C ATOM 719 O ALA A 49 -3.142 0.958 -5.452 1.00 0.32 O ATOM 720 CB ALA A 49 -1.539 3.303 -3.743 1.00 0.38 C ATOM 0 H ALA A 49 0.718 2.641 -4.462 1.00 0.31 H new ATOM 0 HA ALA A 49 -1.478 1.167 -3.593 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.598 3.375 -3.495 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -0.944 3.441 -2.840 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.283 4.075 -4.468 1.00 0.38 H new ATOM 726 N ALA A 50 -1.732 2.226 -6.700 1.00 0.29 N ATOM 727 CA ALA A 50 -2.472 2.086 -7.954 1.00 0.31 C ATOM 728 C ALA A 50 -2.666 0.618 -8.356 1.00 0.31 C ATOM 729 O ALA A 50 -3.674 0.264 -8.985 1.00 0.35 O ATOM 730 CB ALA A 50 -1.780 2.852 -9.072 1.00 0.39 C ATOM 0 H ALA A 50 -0.882 2.783 -6.786 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.462 2.511 -7.788 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.345 2.736 -9.997 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -1.726 3.909 -8.810 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -0.772 2.461 -9.211 1.00 0.39 H new ATOM 736 N ARG A 51 -1.726 -0.236 -7.970 1.00 0.32 N ATOM 737 CA ARG A 51 -1.792 -1.660 -8.299 1.00 0.38 C ATOM 738 C ARG A 51 -2.948 -2.307 -7.540 1.00 0.37 C ATOM 739 O ARG A 51 -3.703 -3.109 -8.090 1.00 0.47 O ATOM 740 CB ARG A 51 -0.461 -2.376 -7.960 1.00 0.49 C ATOM 741 CG ARG A 51 0.768 -1.703 -8.551 1.00 0.97 C ATOM 742 CD ARG A 51 0.709 -1.625 -10.064 1.00 0.98 C ATOM 743 NE ARG A 51 1.595 -0.577 -10.609 1.00 1.92 N ATOM 744 CZ ARG A 51 2.252 -0.637 -11.785 1.00 2.31 C ATOM 745 NH1 ARG A 51 2.346 -1.799 -12.445 1.00 2.05 N ATOM 746 NH2 ARG A 51 2.842 0.443 -12.279 1.00 3.40 N ATOM 0 H ARG A 51 -0.905 0.031 -7.427 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.960 -1.760 -9.371 1.00 0.38 H new ATOM 0 HB2 ARG A 51 -0.351 -2.424 -6.877 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.510 -3.403 -8.321 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.862 -0.697 -8.141 1.00 0.97 H new ATOM 0 HG3 ARG A 51 1.660 -2.253 -8.252 1.00 0.97 H new ATOM 0 HD2 ARG A 51 0.990 -2.590 -10.486 1.00 0.98 H new ATOM 0 HD3 ARG A 51 -0.317 -1.428 -10.375 1.00 0.98 H new ATOM 0 HE ARG A 51 1.721 0.265 -10.047 1.00 1.92 H new ATOM 0 HH11 ARG A 51 1.920 -2.641 -12.058 1.00 2.05 H new ATOM 0 HH12 ARG A 51 2.844 -1.842 -13.334 1.00 2.05 H new ATOM 0 HH21 ARG A 51 2.800 1.325 -11.769 1.00 3.40 H new ATOM 0 HH22 ARG A 51 3.338 0.391 -13.169 1.00 3.40 H new ATOM 760 N LEU A 52 -3.113 -1.897 -6.297 1.00 0.32 N ATOM 761 CA LEU A 52 -4.158 -2.417 -5.447 1.00 0.34 C ATOM 762 C LEU A 52 -5.506 -1.897 -5.886 1.00 0.33 C ATOM 763 O LEU A 52 -6.472 -2.666 -5.979 1.00 0.40 O ATOM 764 CB LEU A 52 -3.881 -2.051 -3.987 1.00 0.35 C ATOM 765 CG LEU A 52 -2.570 -2.596 -3.413 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.366 -2.107 -1.991 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.566 -4.116 -3.457 1.00 0.39 C ATOM 0 H LEU A 52 -2.524 -1.194 -5.851 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.172 -3.504 -5.533 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -3.874 -0.965 -3.897 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.706 -2.416 -3.375 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.746 -2.228 -4.024 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.429 -2.505 -1.600 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.329 -1.018 -1.983 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.193 -2.447 -1.367 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -1.628 -4.489 -3.046 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.399 -4.499 -2.867 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.668 -4.450 -4.489 1.00 0.39 H new ATOM 779 N GLU A 53 -5.560 -0.594 -6.200 1.00 0.28 N ATOM 780 CA GLU A 53 -6.790 0.044 -6.684 1.00 0.29 C ATOM 781 C GLU A 53 -7.272 -0.651 -7.956 1.00 0.31 C ATOM 782 O GLU A 53 -8.434 -0.954 -8.082 1.00 0.35 O ATOM 783 CB GLU A 53 -6.560 1.527 -6.996 1.00 0.29 C ATOM 784 CG GLU A 53 -6.095 2.379 -5.851 1.00 0.35 C ATOM 785 CD GLU A 53 -5.924 3.820 -6.294 1.00 0.41 C ATOM 786 OE1 GLU A 53 -4.977 4.097 -7.050 1.00 0.53 O ATOM 787 OE2 GLU A 53 -6.737 4.675 -5.900 1.00 0.51 O ATOM 0 H GLU A 53 -4.763 0.039 -6.127 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.539 -0.043 -5.897 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -5.825 1.599 -7.798 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.491 1.945 -7.379 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -6.816 2.327 -5.035 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.150 1.996 -5.466 1.00 0.35 H new ATOM 794 N SER A 54 -6.350 -0.931 -8.868 1.00 0.35 N ATOM 795 CA SER A 54 -6.689 -1.563 -10.135 1.00 0.43 C ATOM 796 C SER A 54 -7.166 -3.011 -9.943 1.00 0.47 C ATOM 797 O SER A 54 -8.027 -3.486 -10.673 1.00 0.61 O ATOM 798 CB SER A 54 -5.489 -1.522 -11.103 1.00 0.49 C ATOM 799 OG SER A 54 -5.034 -0.174 -11.302 1.00 1.16 O ATOM 0 H SER A 54 -5.357 -0.729 -8.752 1.00 0.35 H new ATOM 0 HA SER A 54 -7.513 -0.996 -10.568 1.00 0.43 H new ATOM 0 HB2 SER A 54 -4.676 -2.129 -10.706 1.00 0.49 H new ATOM 0 HB3 SER A 54 -5.774 -1.958 -12.060 1.00 0.49 H new ATOM 0 HG SER A 54 -4.602 0.149 -10.484 1.00 1.16 H new ATOM 805 N ARG A 55 -6.628 -3.693 -8.946 1.00 0.40 N ATOM 806 CA ARG A 55 -6.977 -5.089 -8.731 1.00 0.46 C ATOM 807 C ARG A 55 -8.318 -5.223 -8.016 1.00 0.47 C ATOM 808 O ARG A 55 -9.132 -6.079 -8.359 1.00 0.57 O ATOM 809 CB ARG A 55 -5.863 -5.832 -7.949 1.00 0.50 C ATOM 810 CG ARG A 55 -6.141 -7.326 -7.746 1.00 0.61 C ATOM 811 CD ARG A 55 -5.063 -8.018 -6.912 1.00 0.75 C ATOM 812 NE ARG A 55 -3.723 -7.966 -7.524 1.00 1.28 N ATOM 813 CZ ARG A 55 -2.594 -8.403 -6.931 1.00 1.65 C ATOM 814 NH1 ARG A 55 -2.645 -8.915 -5.689 1.00 1.46 N ATOM 815 NH2 ARG A 55 -1.436 -8.347 -7.593 1.00 2.65 N ATOM 0 H ARG A 55 -5.957 -3.310 -8.280 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.071 -5.555 -9.712 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -4.919 -5.717 -8.482 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.739 -5.359 -6.975 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -7.107 -7.448 -7.257 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.212 -7.814 -8.718 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -5.022 -7.553 -5.927 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -5.345 -9.060 -6.761 1.00 0.75 H new ATOM 0 HE ARG A 55 -3.645 -7.572 -8.462 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -3.537 -8.972 -5.197 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -1.792 -9.246 -5.238 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -1.409 -7.975 -8.542 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -0.579 -8.676 -7.149 1.00 2.65 H new ATOM 829 N TYR A 56 -8.556 -4.371 -7.037 1.00 0.42 N ATOM 830 CA TYR A 56 -9.774 -4.472 -6.237 1.00 0.47 C ATOM 831 C TYR A 56 -10.840 -3.461 -6.628 1.00 0.50 C ATOM 832 O TYR A 56 -11.940 -3.478 -6.094 1.00 0.67 O ATOM 833 CB TYR A 56 -9.447 -4.462 -4.732 1.00 0.52 C ATOM 834 CG TYR A 56 -8.636 -5.679 -4.336 1.00 0.53 C ATOM 835 CD1 TYR A 56 -9.269 -6.886 -4.102 1.00 0.62 C ATOM 836 CD2 TYR A 56 -7.243 -5.640 -4.241 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.560 -8.021 -3.791 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.520 -6.781 -3.916 1.00 0.65 C ATOM 839 CZ TYR A 56 -7.192 -7.970 -3.695 1.00 0.67 C ATOM 840 OH TYR A 56 -6.495 -9.132 -3.411 1.00 0.79 O ATOM 0 H TYR A 56 -7.933 -3.607 -6.774 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.224 -5.439 -6.462 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -8.893 -3.557 -4.484 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.373 -4.436 -4.157 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -10.346 -6.938 -4.165 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -6.722 -4.712 -4.422 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -9.079 -8.953 -3.622 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.444 -6.740 -3.837 1.00 0.65 H new ATOM 0 HH TYR A 56 -5.584 -8.906 -3.128 1.00 0.79 H new ATOM 850 N GLY A 57 -10.518 -2.611 -7.580 1.00 0.41 N ATOM 851 CA GLY A 57 -11.476 -1.639 -8.097 1.00 0.45 C ATOM 852 C GLY A 57 -11.839 -0.558 -7.089 1.00 0.46 C ATOM 853 O GLY A 57 -13.018 -0.255 -6.907 1.00 0.61 O ATOM 0 H GLY A 57 -9.598 -2.568 -8.017 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.062 -1.170 -8.989 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.383 -2.160 -8.403 1.00 0.45 H new ATOM 857 N VAL A 58 -10.839 0.039 -6.459 1.00 0.38 N ATOM 858 CA VAL A 58 -11.102 1.070 -5.447 1.00 0.42 C ATOM 859 C VAL A 58 -10.479 2.405 -5.876 1.00 0.45 C ATOM 860 O VAL A 58 -9.889 2.485 -6.959 1.00 0.51 O ATOM 861 CB VAL A 58 -10.613 0.654 -3.995 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.925 -0.792 -3.711 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.138 0.904 -3.738 1.00 0.57 C ATOM 0 H VAL A 58 -9.852 -0.162 -6.621 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.184 1.184 -5.381 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.168 1.303 -3.318 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.579 -1.049 -2.710 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -12.001 -0.951 -3.775 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.421 -1.423 -4.442 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.887 0.592 -2.724 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.543 0.333 -4.451 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -8.923 1.966 -3.855 1.00 0.57 H new ATOM 873 N SER A 59 -10.587 3.425 -5.049 1.00 0.51 N ATOM 874 CA SER A 59 -10.002 4.708 -5.353 1.00 0.61 C ATOM 875 C SER A 59 -9.572 5.346 -4.033 1.00 0.56 C ATOM 876 O SER A 59 -10.370 5.447 -3.096 1.00 0.63 O ATOM 877 CB SER A 59 -11.021 5.601 -6.108 1.00 0.84 C ATOM 878 OG SER A 59 -10.435 6.829 -6.582 1.00 1.59 O ATOM 0 H SER A 59 -11.079 3.386 -4.156 1.00 0.51 H new ATOM 0 HA SER A 59 -9.136 4.593 -6.005 1.00 0.61 H new ATOM 0 HB2 SER A 59 -11.428 5.047 -6.954 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.856 5.832 -5.447 1.00 0.84 H new ATOM 0 HG SER A 59 -11.115 7.356 -7.052 1.00 1.59 H new ATOM 884 N ILE A 60 -8.314 5.692 -3.931 1.00 0.50 N ATOM 885 CA ILE A 60 -7.776 6.325 -2.735 1.00 0.48 C ATOM 886 C ILE A 60 -7.854 7.865 -2.882 1.00 0.53 C ATOM 887 O ILE A 60 -7.292 8.440 -3.821 1.00 0.63 O ATOM 888 CB ILE A 60 -6.292 5.893 -2.496 1.00 0.48 C ATOM 889 CG1 ILE A 60 -6.163 4.362 -2.423 1.00 0.64 C ATOM 890 CG2 ILE A 60 -5.719 6.536 -1.233 1.00 0.53 C ATOM 891 CD1 ILE A 60 -6.926 3.720 -1.284 1.00 0.75 C ATOM 0 H ILE A 60 -7.627 5.546 -4.670 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.370 6.007 -1.878 1.00 0.48 H new ATOM 0 HB ILE A 60 -5.712 6.246 -3.349 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -6.513 3.936 -3.363 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -5.108 4.103 -2.328 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -4.686 6.214 -1.097 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -5.751 7.621 -1.330 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -6.310 6.232 -0.369 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -6.778 2.640 -1.310 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -6.562 4.114 -0.335 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -7.988 3.943 -1.386 1.00 0.75 H new ATOM 903 N PRO A 61 -8.580 8.547 -1.979 1.00 0.65 N ATOM 904 CA PRO A 61 -8.711 10.006 -2.010 1.00 0.77 C ATOM 905 C PRO A 61 -7.445 10.693 -1.472 1.00 0.65 C ATOM 906 O PRO A 61 -6.941 10.314 -0.402 1.00 0.57 O ATOM 907 CB PRO A 61 -9.905 10.287 -1.076 1.00 0.97 C ATOM 908 CG PRO A 61 -10.450 8.940 -0.695 1.00 1.08 C ATOM 909 CD PRO A 61 -9.332 7.962 -0.868 1.00 0.83 C ATOM 0 HA PRO A 61 -8.854 10.386 -3.022 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.589 10.845 -0.194 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -10.663 10.888 -1.579 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -10.806 8.943 0.335 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.299 8.673 -1.325 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -8.725 7.874 0.033 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -9.698 6.963 -1.105 1.00 0.83 H new ATOM 917 N ASP A 62 -6.966 11.716 -2.203 1.00 0.74 N ATOM 918 CA ASP A 62 -5.721 12.495 -1.898 1.00 0.73 C ATOM 919 C ASP A 62 -5.676 12.943 -0.442 1.00 0.62 C ATOM 920 O ASP A 62 -4.690 12.738 0.264 1.00 0.64 O ATOM 921 CB ASP A 62 -5.690 13.791 -2.736 1.00 0.93 C ATOM 922 CG ASP A 62 -5.936 13.602 -4.216 1.00 1.44 C ATOM 923 OD1 ASP A 62 -7.111 13.386 -4.598 1.00 1.92 O ATOM 924 OD2 ASP A 62 -4.996 13.719 -5.017 1.00 2.07 O ATOM 0 H ASP A 62 -7.436 12.043 -3.047 1.00 0.74 H new ATOM 0 HA ASP A 62 -4.883 11.835 -2.123 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -6.440 14.478 -2.343 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -4.719 14.269 -2.603 1.00 0.93 H new ATOM 929 N ASP A 63 -6.776 13.540 -0.014 1.00 0.63 N ATOM 930 CA ASP A 63 -6.932 14.144 1.328 1.00 0.61 C ATOM 931 C ASP A 63 -6.689 13.089 2.417 1.00 0.59 C ATOM 932 O ASP A 63 -5.947 13.303 3.363 1.00 0.64 O ATOM 933 CB ASP A 63 -8.368 14.688 1.447 1.00 0.77 C ATOM 934 CG ASP A 63 -8.536 15.849 2.414 1.00 1.36 C ATOM 935 OD1 ASP A 63 -8.494 15.665 3.624 1.00 2.10 O ATOM 936 OD2 ASP A 63 -8.752 16.983 1.935 1.00 2.00 O ATOM 0 H ASP A 63 -7.612 13.628 -0.592 1.00 0.63 H new ATOM 0 HA ASP A 63 -6.208 14.948 1.458 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -8.703 15.005 0.460 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -9.024 13.876 1.760 1.00 0.77 H new ATOM 941 N VAL A 64 -7.272 11.925 2.215 1.00 0.62 N ATOM 942 CA VAL A 64 -7.214 10.839 3.184 1.00 0.69 C ATOM 943 C VAL A 64 -5.863 10.105 3.089 1.00 0.67 C ATOM 944 O VAL A 64 -5.330 9.612 4.086 1.00 0.78 O ATOM 945 CB VAL A 64 -8.384 9.827 2.946 1.00 0.82 C ATOM 946 CG1 VAL A 64 -8.404 8.738 4.002 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.729 10.544 2.908 1.00 0.90 C ATOM 0 H VAL A 64 -7.802 11.700 1.373 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.316 11.267 4.181 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.210 9.358 1.978 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -9.230 8.054 3.804 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.463 8.188 3.976 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -8.534 9.188 4.986 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.524 9.817 2.741 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -9.896 11.054 3.857 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -9.729 11.274 2.099 1.00 0.90 H new ATOM 957 N ALA A 65 -5.305 10.083 1.895 1.00 0.61 N ATOM 958 CA ALA A 65 -4.026 9.437 1.626 1.00 0.67 C ATOM 959 C ALA A 65 -2.889 10.137 2.346 1.00 0.64 C ATOM 960 O ALA A 65 -1.864 9.543 2.635 1.00 0.74 O ATOM 961 CB ALA A 65 -3.762 9.395 0.140 1.00 0.77 C ATOM 0 H ALA A 65 -5.727 10.516 1.073 1.00 0.61 H new ATOM 0 HA ALA A 65 -4.081 8.416 2.004 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.804 8.910 -0.046 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.555 8.834 -0.355 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.737 10.411 -0.254 1.00 0.77 H new ATOM 967 N GLY A 66 -3.097 11.395 2.676 1.00 0.58 N ATOM 968 CA GLY A 66 -2.094 12.142 3.389 1.00 0.66 C ATOM 969 C GLY A 66 -2.097 11.847 4.883 1.00 0.68 C ATOM 970 O GLY A 66 -1.410 12.518 5.661 1.00 0.86 O ATOM 0 H GLY A 66 -3.948 11.915 2.461 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -1.112 11.909 2.978 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -2.260 13.208 3.232 1.00 0.66 H new ATOM 974 N ARG A 67 -2.881 10.861 5.296 1.00 0.64 N ATOM 975 CA ARG A 67 -2.957 10.500 6.698 1.00 0.79 C ATOM 976 C ARG A 67 -2.391 9.103 6.967 1.00 0.77 C ATOM 977 O ARG A 67 -2.606 8.541 8.037 1.00 0.95 O ATOM 978 CB ARG A 67 -4.387 10.624 7.236 1.00 0.94 C ATOM 979 CG ARG A 67 -4.937 12.050 7.201 1.00 1.12 C ATOM 980 CD ARG A 67 -6.235 12.190 7.987 1.00 1.40 C ATOM 981 NE ARG A 67 -7.350 11.404 7.442 1.00 1.89 N ATOM 982 CZ ARG A 67 -8.218 10.694 8.188 1.00 2.51 C ATOM 983 NH1 ARG A 67 -8.082 10.638 9.521 1.00 2.93 N ATOM 984 NH2 ARG A 67 -9.238 10.083 7.605 1.00 3.22 N ATOM 0 H ARG A 67 -3.470 10.301 4.680 1.00 0.64 H new ATOM 0 HA ARG A 67 -2.332 11.212 7.237 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -5.042 9.977 6.653 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -4.412 10.260 8.263 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -4.193 12.734 7.609 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -5.108 12.345 6.166 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -6.058 11.885 9.018 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -6.522 13.241 8.011 1.00 1.40 H new ATOM 0 HE ARG A 67 -7.475 11.395 6.430 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -7.317 11.135 9.977 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -8.744 10.098 10.079 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -9.364 10.151 6.595 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -9.898 9.544 8.166 1.00 3.22 H new ATOM 998 N VAL A 68 -1.651 8.547 6.010 1.00 0.62 N ATOM 999 CA VAL A 68 -1.030 7.236 6.208 1.00 0.66 C ATOM 1000 C VAL A 68 0.420 7.360 6.680 1.00 0.67 C ATOM 1001 O VAL A 68 1.308 7.758 5.924 1.00 1.00 O ATOM 1002 CB VAL A 68 -1.131 6.304 4.948 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.577 5.961 4.660 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.491 6.925 3.709 1.00 0.64 C ATOM 0 H VAL A 68 -1.468 8.975 5.102 1.00 0.62 H new ATOM 0 HA VAL A 68 -1.607 6.755 6.998 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.577 5.395 5.182 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.630 5.315 3.784 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -3.006 5.445 5.519 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -3.137 6.876 4.470 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.588 6.240 2.867 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -0.992 7.864 3.473 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.565 7.115 3.902 1.00 0.64 H new ATOM 1014 N ASP A 69 0.627 7.104 7.945 1.00 0.54 N ATOM 1015 CA ASP A 69 1.964 7.159 8.547 1.00 0.64 C ATOM 1016 C ASP A 69 2.672 5.805 8.393 1.00 0.50 C ATOM 1017 O ASP A 69 3.829 5.730 7.965 1.00 0.54 O ATOM 1018 CB ASP A 69 1.842 7.567 10.034 1.00 0.99 C ATOM 1019 CG ASP A 69 3.155 7.614 10.810 1.00 1.11 C ATOM 1020 OD1 ASP A 69 3.856 8.649 10.747 1.00 1.37 O ATOM 1021 OD2 ASP A 69 3.425 6.655 11.573 1.00 1.84 O ATOM 0 H ASP A 69 -0.114 6.851 8.599 1.00 0.54 H new ATOM 0 HA ASP A 69 2.568 7.907 8.033 1.00 0.64 H new ATOM 0 HB2 ASP A 69 1.373 8.550 10.086 1.00 0.99 H new ATOM 0 HB3 ASP A 69 1.171 6.867 10.531 1.00 0.99 H new ATOM 1026 N THR A 70 1.965 4.737 8.708 1.00 0.43 N ATOM 1027 CA THR A 70 2.508 3.409 8.558 1.00 0.37 C ATOM 1028 C THR A 70 1.738 2.610 7.486 1.00 0.33 C ATOM 1029 O THR A 70 0.554 2.878 7.234 1.00 0.34 O ATOM 1030 CB THR A 70 2.506 2.631 9.921 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.188 2.651 10.534 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.539 3.207 10.886 1.00 0.44 C ATOM 0 H THR A 70 1.012 4.768 9.070 1.00 0.43 H new ATOM 0 HA THR A 70 3.542 3.519 8.231 1.00 0.37 H new ATOM 0 HB THR A 70 2.773 1.596 9.705 1.00 0.42 H new ATOM 0 HG1 THR A 70 0.928 3.577 10.720 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.515 2.648 11.821 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.532 3.131 10.444 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.309 4.254 11.083 1.00 0.44 H new ATOM 1040 N PRO A 71 2.410 1.610 6.816 1.00 0.32 N ATOM 1041 CA PRO A 71 1.789 0.715 5.802 1.00 0.31 C ATOM 1042 C PRO A 71 0.508 0.056 6.312 1.00 0.29 C ATOM 1043 O PRO A 71 -0.402 -0.252 5.542 1.00 0.33 O ATOM 1044 CB PRO A 71 2.868 -0.350 5.580 1.00 0.34 C ATOM 1045 CG PRO A 71 4.126 0.387 5.792 1.00 0.38 C ATOM 1046 CD PRO A 71 3.853 1.318 6.953 1.00 0.36 C ATOM 0 HA PRO A 71 1.496 1.257 4.903 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.765 -1.178 6.281 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.814 -0.773 4.577 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.947 -0.293 6.018 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.410 0.944 4.899 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.080 0.847 7.909 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.455 2.225 6.893 1.00 0.36 H new ATOM 1054 N ARG A 72 0.467 -0.160 7.615 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.695 -0.704 8.306 1.00 0.34 C ATOM 1056 C ARG A 72 -1.931 0.135 8.004 1.00 0.36 C ATOM 1057 O ARG A 72 -2.924 -0.379 7.540 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.402 -0.713 9.811 1.00 0.41 C ATOM 1059 CG ARG A 72 -1.614 -0.934 10.707 1.00 0.54 C ATOM 1060 CD ARG A 72 -1.218 -0.890 12.177 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.358 0.287 12.472 1.00 0.75 N ATOM 1062 CZ ARG A 72 0.538 0.348 13.470 1.00 0.98 C ATOM 1063 NH1 ARG A 72 0.512 -0.547 14.462 1.00 1.38 N ATOM 1064 NH2 ARG A 72 1.424 1.352 13.506 1.00 1.16 N ATOM 0 H ARG A 72 1.252 0.040 8.235 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.891 -1.720 7.964 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.330 -1.494 10.018 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.061 0.236 10.080 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -2.365 -0.170 10.505 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -2.070 -1.897 10.478 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -2.114 -0.852 12.796 1.00 0.69 H new ATOM 0 HD3 ARG A 72 -0.688 -1.805 12.440 1.00 0.69 H new ATOM 0 HE ARG A 72 -0.456 1.107 11.873 1.00 0.75 H new ATOM 0 HH11 ARG A 72 -0.193 -1.284 14.465 1.00 1.38 H new ATOM 0 HH12 ARG A 72 1.197 -0.493 15.216 1.00 1.38 H new ATOM 0 HH21 ARG A 72 1.416 2.066 12.777 1.00 1.16 H new ATOM 0 HH22 ARG A 72 2.107 1.403 14.262 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.799 1.439 8.171 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.906 2.373 8.019 1.00 0.42 C ATOM 1080 C GLU A 73 -3.368 2.465 6.564 1.00 0.40 C ATOM 1081 O GLU A 73 -4.528 2.768 6.280 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.464 3.734 8.559 1.00 0.50 C ATOM 1083 CG GLU A 73 -2.075 3.665 10.039 1.00 0.63 C ATOM 1084 CD GLU A 73 -1.408 4.904 10.545 1.00 0.74 C ATOM 1085 OE1 GLU A 73 -2.102 5.814 11.012 1.00 1.33 O ATOM 1086 OE2 GLU A 73 -0.154 4.967 10.505 1.00 0.69 O ATOM 0 H GLU A 73 -0.915 1.885 8.418 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.766 2.018 8.587 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.616 4.097 7.978 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -3.271 4.455 8.429 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.970 3.477 10.632 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -1.408 2.816 10.191 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.458 2.178 5.652 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.752 2.174 4.224 1.00 0.43 C ATOM 1095 C LEU A 74 -3.600 0.920 3.928 1.00 0.41 C ATOM 1096 O LEU A 74 -4.572 0.978 3.172 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.419 2.172 3.424 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.439 2.656 1.944 1.00 0.50 C ATOM 1099 CD1 LEU A 74 -0.025 2.678 1.386 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.317 1.788 1.068 1.00 1.10 C ATOM 0 H LEU A 74 -1.492 1.940 5.877 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.309 3.062 3.925 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.706 2.793 3.966 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -1.028 1.155 3.435 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.859 3.662 1.939 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -0.048 3.018 0.351 1.00 1.04 H new ATOM 0 HD12 LEU A 74 0.589 3.357 1.977 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.399 1.675 1.430 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.298 2.166 0.046 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -1.946 0.763 1.083 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -3.340 1.809 1.444 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.240 -0.195 4.560 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.979 -1.445 4.401 1.00 0.41 C ATOM 1114 C LEU A 75 -5.380 -1.298 4.988 1.00 0.39 C ATOM 1115 O LEU A 75 -6.380 -1.632 4.314 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.230 -2.597 5.094 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.810 -4.005 4.898 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.649 -4.447 3.459 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.144 -4.997 5.844 1.00 0.54 C ATOM 0 H LEU A 75 -2.439 -0.258 5.188 1.00 0.41 H new ATOM 0 HA LEU A 75 -4.063 -1.674 3.339 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.200 -2.599 4.736 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.196 -2.388 6.163 1.00 0.46 H new ATOM 0 HG LEU A 75 -4.874 -3.975 5.132 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.065 -5.447 3.337 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.175 -3.752 2.804 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.591 -4.460 3.199 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.569 -5.989 5.689 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.073 -5.026 5.645 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.313 -4.686 6.875 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.445 -0.772 6.238 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.723 -0.536 6.953 1.00 0.48 C ATOM 1133 C ASP A 76 -7.656 0.270 6.086 1.00 0.40 C ATOM 1134 O ASP A 76 -8.832 -0.057 5.937 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.544 0.270 8.262 1.00 0.66 C ATOM 1136 CG ASP A 76 -5.736 -0.382 9.372 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -6.097 -1.496 9.828 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -4.802 0.284 9.895 1.00 1.89 O ATOM 0 H ASP A 76 -4.620 -0.502 6.773 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.118 -1.525 7.186 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -6.071 1.220 8.012 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -7.534 0.501 8.655 1.00 0.66 H new ATOM 1143 N LEU A 77 -7.095 1.318 5.492 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.812 2.272 4.655 1.00 0.38 C ATOM 1145 C LEU A 77 -8.555 1.551 3.519 1.00 0.33 C ATOM 1146 O LEU A 77 -9.747 1.796 3.285 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.805 3.290 4.069 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.251 4.772 3.984 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -8.498 4.952 3.117 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -7.480 5.337 5.376 1.00 1.24 C ATOM 0 H LEU A 77 -6.102 1.533 5.582 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.550 2.793 5.264 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -5.896 3.247 4.669 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.540 2.961 3.064 1.00 0.46 H new ATOM 0 HG LEU A 77 -6.445 5.327 3.504 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -8.772 6.007 3.088 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -8.291 4.603 2.105 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -9.321 4.375 3.539 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -7.793 6.378 5.299 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -8.257 4.761 5.879 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -6.555 5.277 5.950 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.877 0.637 2.856 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.455 -0.030 1.715 1.00 0.32 C ATOM 1164 C ILE A 78 -9.461 -1.058 2.179 1.00 0.29 C ATOM 1165 O ILE A 78 -10.569 -1.132 1.643 1.00 0.33 O ATOM 1166 CB ILE A 78 -7.372 -0.705 0.828 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -6.347 0.344 0.358 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -8.025 -1.391 -0.372 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.257 -0.211 -0.547 1.00 0.63 C ATOM 0 H ILE A 78 -6.929 0.342 3.089 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.954 0.724 1.106 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.852 -1.461 1.417 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -6.873 1.138 -0.171 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.881 0.798 1.233 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -7.256 -1.860 -0.986 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.723 -2.151 -0.021 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -8.562 -0.652 -0.966 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.577 0.592 -0.833 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -4.702 -0.984 -0.016 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -5.710 -0.639 -1.442 1.00 0.63 H new ATOM 1181 N ASN A 79 -9.092 -1.832 3.195 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.975 -2.868 3.721 1.00 0.33 C ATOM 1183 C ASN A 79 -11.271 -2.255 4.243 1.00 0.37 C ATOM 1184 O ASN A 79 -12.356 -2.792 4.015 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.324 -3.707 4.838 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.081 -4.522 4.439 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.237 -4.801 5.263 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -7.965 -4.900 3.187 1.00 0.55 N ATOM 0 H ASN A 79 -8.192 -1.762 3.669 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.185 -3.538 2.887 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -9.048 -3.037 5.653 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -10.073 -4.395 5.231 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.152 -5.440 2.891 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -8.688 -4.654 2.511 1.00 0.55 H new ATOM 1195 N GLY A 80 -11.144 -1.124 4.916 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.289 -0.429 5.465 1.00 0.46 C ATOM 1197 C GLY A 80 -13.205 0.121 4.396 1.00 0.47 C ATOM 1198 O GLY A 80 -14.437 0.037 4.527 1.00 0.57 O ATOM 0 H GLY A 80 -10.250 -0.667 5.095 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.851 -1.111 6.104 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.944 0.389 6.098 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.620 0.659 3.318 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.388 1.242 2.228 1.00 0.49 C ATOM 1204 C ALA A 81 -14.200 0.177 1.497 1.00 0.54 C ATOM 1205 O ALA A 81 -15.317 0.442 1.033 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.474 1.969 1.275 1.00 0.49 C ATOM 0 H ALA A 81 -11.610 0.699 3.184 1.00 0.43 H new ATOM 0 HA ALA A 81 -14.090 1.961 2.651 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -13.062 2.400 0.465 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.952 2.764 1.807 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.747 1.269 0.863 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.634 -1.027 1.410 1.00 0.48 N ATOM 1213 CA LEU A 82 -14.330 -2.196 0.843 1.00 0.57 C ATOM 1214 C LEU A 82 -15.682 -2.451 1.543 1.00 0.70 C ATOM 1215 O LEU A 82 -16.616 -2.942 0.926 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.456 -3.464 0.970 1.00 0.54 C ATOM 1217 CG LEU A 82 -12.152 -3.485 0.170 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -11.345 -4.729 0.518 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -12.439 -3.459 -1.325 1.00 0.63 C ATOM 0 H LEU A 82 -12.685 -1.225 1.727 1.00 0.48 H new ATOM 0 HA LEU A 82 -14.515 -1.976 -0.208 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -13.211 -3.604 2.023 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -14.055 -4.322 0.665 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.575 -2.598 0.430 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.419 -4.734 -0.057 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -11.111 -4.725 1.583 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.926 -5.619 0.277 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -11.499 -3.474 -1.876 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -13.033 -4.331 -1.597 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -12.991 -2.552 -1.574 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.771 -2.104 2.826 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.989 -2.332 3.593 1.00 0.87 C ATOM 1233 C ALA A 83 -17.994 -1.203 3.403 1.00 1.01 C ATOM 1234 O ALA A 83 -19.195 -1.370 3.683 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.670 -2.516 5.063 1.00 0.90 C ATOM 0 H ALA A 83 -15.015 -1.665 3.353 1.00 0.69 H new ATOM 0 HA ALA A 83 -17.445 -3.248 3.217 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -17.593 -2.685 5.617 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -16.010 -3.374 5.187 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -16.177 -1.621 5.443 1.00 0.90 H new ATOM 1241 N GLU A 84 -17.505 -0.067 2.927 1.00 0.95 N ATOM 1242 CA GLU A 84 -18.352 1.094 2.680 1.00 1.11 C ATOM 1243 C GLU A 84 -19.132 0.874 1.388 1.00 1.18 C ATOM 1244 O GLU A 84 -20.270 1.308 1.253 1.00 1.36 O ATOM 1245 CB GLU A 84 -17.502 2.376 2.564 1.00 1.15 C ATOM 1246 CG GLU A 84 -16.588 2.654 3.767 1.00 1.57 C ATOM 1247 CD GLU A 84 -17.319 2.995 5.059 1.00 1.76 C ATOM 1248 OE1 GLU A 84 -18.146 2.208 5.532 1.00 2.49 O ATOM 1249 OE2 GLU A 84 -17.017 4.050 5.666 1.00 1.86 O ATOM 0 H GLU A 84 -16.520 0.077 2.703 1.00 0.95 H new ATOM 0 HA GLU A 84 -19.041 1.215 3.516 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -16.887 2.307 1.667 1.00 1.15 H new ATOM 0 HB3 GLU A 84 -18.170 3.227 2.429 1.00 1.15 H new ATOM 0 HG2 GLU A 84 -15.962 1.778 3.940 1.00 1.57 H new ATOM 0 HG3 GLU A 84 -15.920 3.478 3.515 1.00 1.57 H new ATOM 1256 N ALA A 85 -18.514 0.180 0.457 1.00 1.15 N ATOM 1257 CA ALA A 85 -19.154 -0.140 -0.793 1.00 1.34 C ATOM 1258 C ALA A 85 -19.378 -1.640 -0.903 1.00 1.47 C ATOM 1259 O ALA A 85 -18.558 -2.374 -1.464 1.00 1.86 O ATOM 1260 CB ALA A 85 -18.351 0.400 -1.977 1.00 1.37 C ATOM 0 H ALA A 85 -17.562 -0.174 0.547 1.00 1.15 H new ATOM 0 HA ALA A 85 -20.129 0.347 -0.818 1.00 1.34 H new ATOM 0 HB1 ALA A 85 -18.858 0.144 -2.907 1.00 1.37 H new ATOM 0 HB2 ALA A 85 -18.267 1.484 -1.896 1.00 1.37 H new ATOM 0 HB3 ALA A 85 -17.355 -0.042 -1.973 1.00 1.37 H new ATOM 1266 N ALA A 86 -20.463 -2.089 -0.313 1.00 1.53 N ATOM 1267 CA ALA A 86 -20.809 -3.494 -0.263 1.00 1.70 C ATOM 1268 C ALA A 86 -21.273 -3.984 -1.618 1.00 2.36 C ATOM 1269 O ALA A 86 -20.498 -4.647 -2.308 1.00 2.86 O ATOM 1270 CB ALA A 86 -21.875 -3.747 0.804 1.00 2.39 C ATOM 1271 OXT ALA A 86 -22.412 -3.661 -2.026 1.00 3.03 O ATOM 0 H ALA A 86 -21.139 -1.482 0.152 1.00 1.53 H new ATOM 0 HA ALA A 86 -19.916 -4.056 0.008 1.00 1.70 H new ATOM 0 HB1 ALA A 86 -22.122 -4.808 0.827 1.00 2.39 H new ATOM 0 HB2 ALA A 86 -21.494 -3.442 1.779 1.00 2.39 H new ATOM 0 HB3 ALA A 86 -22.770 -3.171 0.568 1.00 2.39 H new TER 1277 ALA A 86 HETATM 1278 P24 SXR A 101 4.548 12.620 -3.904 1.00 1.19 P HETATM 1279 O26 SXR A 101 5.699 13.436 -3.265 1.00 1.72 O HETATM 1280 O23 SXR A 101 3.151 13.261 -3.883 1.00 1.83 O HETATM 1281 O27 SXR A 101 4.995 12.298 -5.387 1.00 1.31 O HETATM 1282 C28 SXR A 101 4.118 11.530 -6.331 1.00 1.24 C HETATM 1283 C29 SXR A 101 3.509 12.467 -7.409 1.00 1.82 C HETATM 1284 C30 SXR A 101 2.859 11.577 -8.441 1.00 2.42 C HETATM 1285 C31 SXR A 101 2.447 13.383 -6.797 1.00 1.85 C HETATM 1286 C32 SXR A 101 4.672 13.349 -8.074 1.00 2.74 C HETATM 1287 O33 SXR A 101 5.259 14.189 -7.063 1.00 3.00 O HETATM 1288 C34 SXR A 101 4.126 14.265 -9.155 1.00 3.44 C HETATM 1289 O35 SXR A 101 3.744 13.843 -10.249 1.00 3.88 O HETATM 1290 N36 SXR A 101 4.096 15.539 -8.817 1.00 3.90 N HETATM 1291 C37 SXR A 101 3.603 16.622 -9.677 1.00 4.60 C HETATM 1292 C38 SXR A 101 2.189 17.059 -9.233 1.00 4.73 C HETATM 1293 C39 SXR A 101 1.170 15.943 -9.415 1.00 4.02 C HETATM 1294 O40 SXR A 101 1.072 15.321 -10.482 1.00 4.42 O HETATM 1295 N41 SXR A 101 0.435 15.691 -8.348 1.00 3.33 N HETATM 1296 C42 SXR A 101 -0.581 14.652 -8.271 1.00 2.88 C HETATM 1297 C43 SXR A 101 -1.717 15.039 -7.330 1.00 2.85 C HETATM 1298 S1 SXR A 101 -1.074 15.606 -5.831 1.00 3.15 S HETATM 1299 C11 SXR A 101 -0.504 8.232 -1.690 1.00 2.09 C HETATM 1300 C10 SXR A 101 -0.958 6.958 -2.013 1.00 2.05 C HETATM 1301 C9 SXR A 101 -2.007 6.793 -2.920 1.00 1.91 C HETATM 1302 C8 SXR A 101 -2.606 7.910 -3.508 1.00 2.19 C HETATM 1303 C7 SXR A 101 -2.146 9.193 -3.181 1.00 2.18 C HETATM 1304 C6 SXR A 101 -1.089 9.365 -2.265 1.00 1.95 C HETATM 1305 C5 SXR A 101 -0.595 10.741 -1.908 1.00 2.57 C HETATM 1306 C4 SXR A 101 -0.710 11.756 -3.024 1.00 2.29 C HETATM 1307 C3 SXR A 101 -0.976 13.192 -2.556 1.00 2.88 C HETATM 1308 O3 SXR A 101 -1.399 13.411 -1.407 1.00 3.69 O HETATM 1309 C2 SXR A 101 -0.707 14.346 -3.494 1.00 2.88 C HETATM 1310 C1 SXR A 101 -1.431 14.257 -4.813 1.00 2.84 C