USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 hydrogens (29 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 161:sc= -0.184 (180deg=-0.755) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0167 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -72:sc= 0.521 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 17 SER OG : rot 90:sc= 1.2 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -7:sc= 1.16 USER MOD Single : A 27 SER OG : rot 95:sc= 1.25 USER MOD Single : A 40 TYR OH : rot -161:sc= -0.573 USER MOD Single : A 46 MET CE :methyl 167:sc= -0.456 (180deg=-1.01) USER MOD Single : A 48 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 165:sc= -0.196 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -68:sc= 1.07 USER MOD Single : A 79 ASN : amide:sc= 0.387 K(o=0.39,f=-13!) USER MOD Single : A 87 SXD O33 : rot 42:sc= 0.822 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.030 11.486 -2.587 1.00 3.46 N ATOM 2 CA MET A 1 -17.924 10.331 -2.553 1.00 2.87 C ATOM 3 C MET A 1 -17.153 9.144 -2.018 1.00 2.37 C ATOM 4 O MET A 1 -16.038 8.874 -2.483 1.00 2.84 O ATOM 5 CB MET A 1 -18.463 10.040 -3.966 1.00 3.22 C ATOM 6 CG MET A 1 -19.377 8.826 -4.064 1.00 3.84 C ATOM 7 SD MET A 1 -20.003 8.550 -5.743 1.00 4.72 S ATOM 8 CE MET A 1 -18.471 8.365 -6.662 1.00 5.39 C ATOM 0 H1 MET A 1 -17.258 12.077 -3.412 1.00 3.46 H new ATOM 0 H2 MET A 1 -17.150 12.043 -1.717 1.00 3.46 H new ATOM 0 H3 MET A 1 -16.045 11.160 -2.656 1.00 3.46 H new ATOM 0 HA MET A 1 -18.776 10.533 -1.904 1.00 2.87 H new ATOM 0 HB2 MET A 1 -19.007 10.916 -4.320 1.00 3.22 H new ATOM 0 HB3 MET A 1 -17.618 9.896 -4.639 1.00 3.22 H new ATOM 0 HG2 MET A 1 -18.834 7.941 -3.734 1.00 3.84 H new ATOM 0 HG3 MET A 1 -20.219 8.955 -3.384 1.00 3.84 H new ATOM 0 HE1 MET A 1 -18.673 7.867 -7.610 1.00 5.39 H new ATOM 0 HE2 MET A 1 -18.040 9.348 -6.853 1.00 5.39 H new ATOM 0 HE3 MET A 1 -17.768 7.768 -6.081 1.00 5.39 H new ATOM 20 N ALA A 2 -17.745 8.453 -1.033 1.00 2.00 N ATOM 21 CA ALA A 2 -17.130 7.330 -0.316 1.00 1.85 C ATOM 22 C ALA A 2 -15.876 7.813 0.413 1.00 1.39 C ATOM 23 O ALA A 2 -15.695 9.025 0.623 1.00 1.40 O ATOM 24 CB ALA A 2 -16.819 6.162 -1.268 1.00 2.44 C ATOM 0 H ALA A 2 -18.687 8.666 -0.706 1.00 2.00 H new ATOM 0 HA ALA A 2 -17.837 6.953 0.423 1.00 1.85 H new ATOM 0 HB1 ALA A 2 -16.364 5.346 -0.706 1.00 2.44 H new ATOM 0 HB2 ALA A 2 -17.743 5.814 -1.730 1.00 2.44 H new ATOM 0 HB3 ALA A 2 -16.130 6.498 -2.043 1.00 2.44 H new ATOM 30 N THR A 3 -15.054 6.916 0.841 1.00 1.35 N ATOM 31 CA THR A 3 -13.824 7.296 1.443 1.00 1.15 C ATOM 32 C THR A 3 -12.686 6.672 0.632 1.00 1.02 C ATOM 33 O THR A 3 -12.517 5.460 0.589 1.00 1.25 O ATOM 34 CB THR A 3 -13.781 6.904 2.970 1.00 1.52 C ATOM 35 OG1 THR A 3 -12.562 7.355 3.578 1.00 2.18 O ATOM 36 CG2 THR A 3 -13.956 5.403 3.208 1.00 1.91 C ATOM 0 H THR A 3 -15.214 5.910 0.784 1.00 1.35 H new ATOM 0 HA THR A 3 -13.713 8.380 1.426 1.00 1.15 H new ATOM 0 HB THR A 3 -14.629 7.405 3.436 1.00 1.52 H new ATOM 0 HG1 THR A 3 -11.814 6.809 3.256 1.00 2.18 H new ATOM 0 HG21 THR A 3 -13.917 5.197 4.278 1.00 1.91 H new ATOM 0 HG22 THR A 3 -14.919 5.082 2.811 1.00 1.91 H new ATOM 0 HG23 THR A 3 -13.157 4.859 2.705 1.00 1.91 H new ATOM 44 N LEU A 4 -11.998 7.498 -0.112 1.00 0.80 N ATOM 45 CA LEU A 4 -10.905 7.035 -0.923 1.00 0.74 C ATOM 46 C LEU A 4 -9.593 7.296 -0.215 1.00 0.68 C ATOM 47 O LEU A 4 -9.501 8.188 0.644 1.00 0.89 O ATOM 48 CB LEU A 4 -10.924 7.699 -2.307 1.00 0.74 C ATOM 49 CG LEU A 4 -12.179 7.442 -3.157 1.00 0.89 C ATOM 50 CD1 LEU A 4 -12.089 8.185 -4.477 1.00 1.00 C ATOM 51 CD2 LEU A 4 -12.372 5.948 -3.401 1.00 1.10 C ATOM 0 H LEU A 4 -12.177 8.500 -0.172 1.00 0.80 H new ATOM 0 HA LEU A 4 -11.014 5.961 -1.074 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -10.813 8.775 -2.174 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -10.054 7.355 -2.866 1.00 0.74 H new ATOM 0 HG LEU A 4 -13.043 7.814 -2.607 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -12.986 7.991 -5.065 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -12.004 9.255 -4.287 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -11.213 7.843 -5.028 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -13.266 5.790 -4.004 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -11.504 5.550 -3.927 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -12.484 5.435 -2.446 1.00 1.10 H new ATOM 63 N LEU A 5 -8.604 6.554 -0.576 1.00 0.59 N ATOM 64 CA LEU A 5 -7.310 6.624 0.020 1.00 0.61 C ATOM 65 C LEU A 5 -6.483 7.635 -0.716 1.00 0.53 C ATOM 66 O LEU A 5 -6.437 7.625 -1.958 1.00 0.53 O ATOM 67 CB LEU A 5 -6.642 5.245 -0.068 1.00 0.76 C ATOM 68 CG LEU A 5 -5.192 5.157 0.390 1.00 0.75 C ATOM 69 CD1 LEU A 5 -5.059 5.516 1.836 1.00 1.16 C ATOM 70 CD2 LEU A 5 -4.648 3.785 0.153 1.00 1.48 C ATOM 0 H LEU A 5 -8.673 5.858 -1.318 1.00 0.59 H new ATOM 0 HA LEU A 5 -7.396 6.920 1.066 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -7.229 4.544 0.525 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -6.693 4.908 -1.103 1.00 0.76 H new ATOM 0 HG LEU A 5 -4.616 5.873 -0.196 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -4.013 5.444 2.134 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -5.411 6.536 1.992 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -5.656 4.830 2.438 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -3.611 3.742 0.487 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -5.239 3.058 0.710 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -4.697 3.553 -0.911 1.00 1.48 H new ATOM 82 N THR A 6 -5.855 8.511 0.011 1.00 0.60 N ATOM 83 CA THR A 6 -5.005 9.472 -0.590 1.00 0.62 C ATOM 84 C THR A 6 -3.640 8.851 -0.818 1.00 0.56 C ATOM 85 O THR A 6 -3.227 7.933 -0.084 1.00 0.55 O ATOM 86 CB THR A 6 -4.892 10.749 0.271 1.00 0.80 C ATOM 87 OG1 THR A 6 -4.543 10.400 1.623 1.00 0.88 O ATOM 88 CG2 THR A 6 -6.203 11.520 0.262 1.00 0.93 C ATOM 0 H THR A 6 -5.922 8.573 1.027 1.00 0.60 H new ATOM 0 HA THR A 6 -5.434 9.772 -1.546 1.00 0.62 H new ATOM 0 HB THR A 6 -4.112 11.382 -0.152 1.00 0.80 H new ATOM 0 HG1 THR A 6 -4.471 11.215 2.163 1.00 0.88 H new ATOM 0 HG21 THR A 6 -6.102 12.416 0.874 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.450 11.805 -0.761 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.997 10.892 0.666 1.00 0.93 H new ATOM 96 N THR A 7 -2.942 9.333 -1.800 1.00 0.59 N ATOM 97 CA THR A 7 -1.651 8.822 -2.139 1.00 0.58 C ATOM 98 C THR A 7 -0.664 9.165 -1.010 1.00 0.47 C ATOM 99 O THR A 7 0.271 8.411 -0.720 1.00 0.45 O ATOM 100 CB THR A 7 -1.225 9.445 -3.465 1.00 0.70 C ATOM 101 OG1 THR A 7 -2.384 9.456 -4.325 1.00 1.31 O ATOM 102 CG2 THR A 7 -0.149 8.614 -4.121 1.00 1.10 C ATOM 0 H THR A 7 -3.256 10.100 -2.394 1.00 0.59 H new ATOM 0 HA THR A 7 -1.670 7.738 -2.251 1.00 0.58 H new ATOM 0 HB THR A 7 -0.835 10.449 -3.295 1.00 0.70 H new ATOM 0 HG1 THR A 7 -2.146 9.853 -5.189 1.00 1.31 H new ATOM 0 HG21 THR A 7 0.141 9.075 -5.065 1.00 1.10 H new ATOM 0 HG22 THR A 7 0.718 8.557 -3.463 1.00 1.10 H new ATOM 0 HG23 THR A 7 -0.529 7.610 -4.309 1.00 1.10 H new ATOM 110 N ASP A 8 -0.952 10.274 -0.327 1.00 0.52 N ATOM 111 CA ASP A 8 -0.171 10.704 0.820 1.00 0.54 C ATOM 112 C ASP A 8 -0.297 9.708 1.948 1.00 0.48 C ATOM 113 O ASP A 8 0.690 9.348 2.565 1.00 0.52 O ATOM 114 CB ASP A 8 -0.593 12.095 1.322 1.00 0.71 C ATOM 115 CG ASP A 8 -0.112 13.245 0.467 1.00 1.19 C ATOM 116 OD1 ASP A 8 -0.783 13.594 -0.537 1.00 1.79 O ATOM 117 OD2 ASP A 8 0.932 13.853 0.805 1.00 1.67 O ATOM 0 H ASP A 8 -1.730 10.892 -0.556 1.00 0.52 H new ATOM 0 HA ASP A 8 0.867 10.763 0.491 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -1.681 12.132 1.379 1.00 0.71 H new ATOM 0 HB3 ASP A 8 -0.216 12.231 2.336 1.00 0.71 H new ATOM 122 N ASP A 9 -1.502 9.220 2.186 1.00 0.50 N ATOM 123 CA ASP A 9 -1.713 8.278 3.280 1.00 0.59 C ATOM 124 C ASP A 9 -1.096 6.952 2.925 1.00 0.52 C ATOM 125 O ASP A 9 -0.479 6.295 3.763 1.00 0.60 O ATOM 126 CB ASP A 9 -3.176 8.060 3.563 1.00 0.80 C ATOM 127 CG ASP A 9 -3.385 7.602 4.975 1.00 1.24 C ATOM 128 OD1 ASP A 9 -3.239 6.397 5.240 1.00 2.00 O ATOM 129 OD2 ASP A 9 -3.722 8.393 5.843 1.00 1.68 O ATOM 0 H ASP A 9 -2.338 9.453 1.650 1.00 0.50 H new ATOM 0 HA ASP A 9 -1.248 8.702 4.170 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -3.726 8.986 3.392 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.578 7.318 2.873 1.00 0.80 H new ATOM 134 N LEU A 10 -1.238 6.587 1.654 1.00 0.46 N ATOM 135 CA LEU A 10 -0.679 5.361 1.109 1.00 0.48 C ATOM 136 C LEU A 10 0.832 5.339 1.363 1.00 0.45 C ATOM 137 O LEU A 10 1.364 4.355 1.862 1.00 0.51 O ATOM 138 CB LEU A 10 -1.032 5.261 -0.411 1.00 0.52 C ATOM 139 CG LEU A 10 -0.698 3.950 -1.197 1.00 0.65 C ATOM 140 CD1 LEU A 10 0.782 3.786 -1.473 1.00 1.07 C ATOM 141 CD2 LEU A 10 -1.228 2.730 -0.471 1.00 1.19 C ATOM 0 H LEU A 10 -1.750 7.142 0.969 1.00 0.46 H new ATOM 0 HA LEU A 10 -1.108 4.488 1.601 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -2.103 5.436 -0.509 1.00 0.52 H new ATOM 0 HB3 LEU A 10 -0.527 6.083 -0.918 1.00 0.52 H new ATOM 0 HG LEU A 10 -1.198 4.041 -2.161 1.00 0.65 H new ATOM 0 HD11 LEU A 10 0.949 2.858 -2.021 1.00 1.07 H new ATOM 0 HD12 LEU A 10 1.137 4.628 -2.068 1.00 1.07 H new ATOM 0 HD13 LEU A 10 1.327 3.754 -0.529 1.00 1.07 H new ATOM 0 HD21 LEU A 10 -0.982 1.833 -1.039 1.00 1.19 H new ATOM 0 HD22 LEU A 10 -0.774 2.669 0.518 1.00 1.19 H new ATOM 0 HD23 LEU A 10 -2.310 2.809 -0.369 1.00 1.19 H new ATOM 153 N ARG A 11 1.509 6.446 1.073 1.00 0.42 N ATOM 154 CA ARG A 11 2.942 6.510 1.302 1.00 0.47 C ATOM 155 C ARG A 11 3.292 6.515 2.784 1.00 0.47 C ATOM 156 O ARG A 11 4.337 6.001 3.168 1.00 0.53 O ATOM 157 CB ARG A 11 3.635 7.654 0.540 1.00 0.56 C ATOM 158 CG ARG A 11 3.184 9.060 0.860 1.00 0.83 C ATOM 159 CD ARG A 11 3.946 10.051 0.007 1.00 0.87 C ATOM 160 NE ARG A 11 3.458 11.422 0.141 1.00 0.97 N ATOM 161 CZ ARG A 11 3.812 12.429 -0.677 1.00 1.40 C ATOM 162 NH1 ARG A 11 4.784 12.263 -1.564 1.00 1.87 N ATOM 163 NH2 ARG A 11 3.195 13.604 -0.607 1.00 1.87 N ATOM 0 H ARG A 11 1.095 7.294 0.686 1.00 0.42 H new ATOM 0 HA ARG A 11 3.344 5.588 0.881 1.00 0.47 H new ATOM 0 HB2 ARG A 11 4.706 7.589 0.732 1.00 0.56 H new ATOM 0 HB3 ARG A 11 3.492 7.486 -0.527 1.00 0.56 H new ATOM 0 HG2 ARG A 11 2.114 9.158 0.679 1.00 0.83 H new ATOM 0 HG3 ARG A 11 3.349 9.273 1.916 1.00 0.83 H new ATOM 0 HD2 ARG A 11 5.001 10.020 0.280 1.00 0.87 H new ATOM 0 HD3 ARG A 11 3.878 9.749 -1.038 1.00 0.87 H new ATOM 0 HE ARG A 11 2.810 11.628 0.901 1.00 0.97 H new ATOM 0 HH11 ARG A 11 5.268 11.367 -1.629 1.00 1.87 H new ATOM 0 HH12 ARG A 11 5.048 13.031 -2.181 1.00 1.87 H new ATOM 0 HH21 ARG A 11 2.447 13.747 0.071 1.00 1.87 H new ATOM 0 HH22 ARG A 11 3.470 14.362 -1.231 1.00 1.87 H new ATOM 177 N ARG A 12 2.407 7.062 3.625 1.00 0.46 N ATOM 178 CA ARG A 12 2.645 7.037 5.068 1.00 0.52 C ATOM 179 C ARG A 12 2.587 5.607 5.555 1.00 0.55 C ATOM 180 O ARG A 12 3.387 5.203 6.380 1.00 0.65 O ATOM 181 CB ARG A 12 1.632 7.866 5.872 1.00 0.53 C ATOM 182 CG ARG A 12 1.524 9.321 5.484 1.00 1.03 C ATOM 183 CD ARG A 12 0.665 10.085 6.476 1.00 1.16 C ATOM 184 NE ARG A 12 1.397 10.376 7.720 1.00 1.72 N ATOM 185 CZ ARG A 12 0.946 10.205 8.969 1.00 2.32 C ATOM 186 NH1 ARG A 12 -0.212 9.608 9.208 1.00 2.40 N ATOM 187 NH2 ARG A 12 1.690 10.623 9.980 1.00 3.33 N ATOM 0 H ARG A 12 1.540 7.517 3.339 1.00 0.46 H new ATOM 0 HA ARG A 12 3.627 7.481 5.229 1.00 0.52 H new ATOM 0 HB2 ARG A 12 0.649 7.407 5.767 1.00 0.53 H new ATOM 0 HB3 ARG A 12 1.899 7.809 6.927 1.00 0.53 H new ATOM 0 HG2 ARG A 12 2.519 9.765 5.441 1.00 1.03 H new ATOM 0 HG3 ARG A 12 1.095 9.404 4.486 1.00 1.03 H new ATOM 0 HD2 ARG A 12 0.330 11.019 6.024 1.00 1.16 H new ATOM 0 HD3 ARG A 12 -0.228 9.504 6.707 1.00 1.16 H new ATOM 0 HE ARG A 12 2.343 10.745 7.620 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -0.780 9.268 8.432 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -0.536 9.489 10.168 1.00 2.40 H new ATOM 0 HH21 ARG A 12 2.591 11.067 9.801 1.00 3.33 H new ATOM 0 HH22 ARG A 12 1.363 10.501 10.938 1.00 3.33 H new ATOM 201 N ALA A 13 1.640 4.846 5.009 1.00 0.52 N ATOM 202 CA ALA A 13 1.445 3.449 5.362 1.00 0.58 C ATOM 203 C ALA A 13 2.711 2.635 5.138 1.00 0.59 C ATOM 204 O ALA A 13 3.121 1.883 6.028 1.00 0.67 O ATOM 205 CB ALA A 13 0.281 2.861 4.593 1.00 0.62 C ATOM 0 H ALA A 13 0.985 5.187 4.306 1.00 0.52 H new ATOM 0 HA ALA A 13 1.211 3.405 6.426 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.152 1.815 4.872 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.628 3.414 4.829 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.480 2.930 3.523 1.00 0.62 H new ATOM 211 N LEU A 14 3.322 2.783 3.954 1.00 0.56 N ATOM 212 CA LEU A 14 4.602 2.152 3.647 1.00 0.63 C ATOM 213 C LEU A 14 5.656 2.495 4.702 1.00 0.73 C ATOM 214 O LEU A 14 6.244 1.594 5.318 1.00 0.95 O ATOM 215 CB LEU A 14 5.107 2.557 2.247 1.00 0.64 C ATOM 216 CG LEU A 14 4.545 1.780 1.041 1.00 0.72 C ATOM 217 CD1 LEU A 14 3.066 1.998 0.825 1.00 1.05 C ATOM 218 CD2 LEU A 14 5.335 2.083 -0.219 1.00 1.24 C ATOM 0 H LEU A 14 2.941 3.341 3.190 1.00 0.56 H new ATOM 0 HA LEU A 14 4.439 1.074 3.656 1.00 0.63 H new ATOM 0 HB2 LEU A 14 4.884 3.614 2.101 1.00 0.64 H new ATOM 0 HB3 LEU A 14 6.192 2.456 2.238 1.00 0.64 H new ATOM 0 HG LEU A 14 4.662 0.723 1.278 1.00 0.72 H new ATOM 0 HD11 LEU A 14 2.736 1.422 -0.040 1.00 1.05 H new ATOM 0 HD12 LEU A 14 2.517 1.673 1.709 1.00 1.05 H new ATOM 0 HD13 LEU A 14 2.876 3.057 0.650 1.00 1.05 H new ATOM 0 HD21 LEU A 14 4.917 1.521 -1.054 1.00 1.24 H new ATOM 0 HD22 LEU A 14 5.280 3.150 -0.435 1.00 1.24 H new ATOM 0 HD23 LEU A 14 6.376 1.796 -0.074 1.00 1.24 H new ATOM 230 N VAL A 15 5.852 3.790 4.928 1.00 0.69 N ATOM 231 CA VAL A 15 6.826 4.290 5.906 1.00 0.80 C ATOM 232 C VAL A 15 6.544 3.704 7.298 1.00 0.85 C ATOM 233 O VAL A 15 7.363 2.985 7.850 1.00 1.00 O ATOM 234 CB VAL A 15 6.789 5.851 5.982 1.00 0.85 C ATOM 235 CG1 VAL A 15 7.760 6.376 7.038 1.00 0.98 C ATOM 236 CG2 VAL A 15 7.127 6.458 4.630 1.00 0.93 C ATOM 0 H VAL A 15 5.342 4.527 4.441 1.00 0.69 H new ATOM 0 HA VAL A 15 7.817 3.975 5.578 1.00 0.80 H new ATOM 0 HB VAL A 15 5.778 6.144 6.265 1.00 0.85 H new ATOM 0 HG11 VAL A 15 7.712 7.465 7.067 1.00 0.98 H new ATOM 0 HG12 VAL A 15 7.488 5.974 8.014 1.00 0.98 H new ATOM 0 HG13 VAL A 15 8.774 6.064 6.787 1.00 0.98 H new ATOM 0 HG21 VAL A 15 7.096 7.545 4.701 1.00 0.93 H new ATOM 0 HG22 VAL A 15 8.126 6.142 4.329 1.00 0.93 H new ATOM 0 HG23 VAL A 15 6.401 6.123 3.889 1.00 0.93 H new ATOM 246 N GLU A 16 5.368 3.975 7.821 1.00 0.83 N ATOM 247 CA GLU A 16 4.982 3.580 9.177 1.00 0.98 C ATOM 248 C GLU A 16 5.022 2.070 9.413 1.00 1.01 C ATOM 249 O GLU A 16 5.187 1.626 10.552 1.00 1.21 O ATOM 250 CB GLU A 16 3.597 4.117 9.514 1.00 1.12 C ATOM 251 CG GLU A 16 3.507 5.629 9.491 1.00 1.25 C ATOM 252 CD GLU A 16 4.400 6.274 10.508 1.00 1.62 C ATOM 253 OE1 GLU A 16 5.616 6.370 10.265 1.00 2.18 O ATOM 254 OE2 GLU A 16 3.920 6.657 11.583 1.00 1.93 O ATOM 0 H GLU A 16 4.638 4.481 7.319 1.00 0.83 H new ATOM 0 HA GLU A 16 5.728 4.020 9.840 1.00 0.98 H new ATOM 0 HB2 GLU A 16 2.876 3.708 8.806 1.00 1.12 H new ATOM 0 HB3 GLU A 16 3.309 3.760 10.503 1.00 1.12 H new ATOM 0 HG2 GLU A 16 3.773 5.990 8.498 1.00 1.25 H new ATOM 0 HG3 GLU A 16 2.476 5.931 9.674 1.00 1.25 H new ATOM 261 N SER A 17 4.885 1.292 8.371 1.00 0.92 N ATOM 262 CA SER A 17 4.892 -0.142 8.525 1.00 1.03 C ATOM 263 C SER A 17 6.301 -0.722 8.363 1.00 1.14 C ATOM 264 O SER A 17 6.544 -1.883 8.699 1.00 1.40 O ATOM 265 CB SER A 17 3.918 -0.780 7.538 1.00 0.97 C ATOM 266 OG SER A 17 2.620 -0.204 7.692 1.00 1.65 O ATOM 0 H SER A 17 4.768 1.622 7.413 1.00 0.92 H new ATOM 0 HA SER A 17 4.566 -0.375 9.539 1.00 1.03 H new ATOM 0 HB2 SER A 17 4.272 -0.632 6.518 1.00 0.97 H new ATOM 0 HB3 SER A 17 3.870 -1.856 7.706 1.00 0.97 H new ATOM 0 HG SER A 17 2.537 0.576 7.105 1.00 1.65 H new ATOM 272 N ALA A 18 7.226 0.083 7.883 1.00 1.07 N ATOM 273 CA ALA A 18 8.575 -0.388 7.644 1.00 1.24 C ATOM 274 C ALA A 18 9.585 0.265 8.586 1.00 1.33 C ATOM 275 O ALA A 18 10.418 -0.416 9.186 1.00 1.59 O ATOM 276 CB ALA A 18 8.962 -0.152 6.198 1.00 1.29 C ATOM 0 H ALA A 18 7.070 1.064 7.651 1.00 1.07 H new ATOM 0 HA ALA A 18 8.592 -1.459 7.847 1.00 1.24 H new ATOM 0 HB1 ALA A 18 9.978 -0.510 6.030 1.00 1.29 H new ATOM 0 HB2 ALA A 18 8.275 -0.690 5.545 1.00 1.29 H new ATOM 0 HB3 ALA A 18 8.912 0.914 5.977 1.00 1.29 H new ATOM 282 N GLY A 19 9.503 1.560 8.724 1.00 1.34 N ATOM 283 CA GLY A 19 10.421 2.293 9.550 1.00 1.54 C ATOM 284 C GLY A 19 10.653 3.647 8.971 1.00 1.61 C ATOM 285 O GLY A 19 10.106 3.955 7.905 1.00 2.24 O ATOM 0 H GLY A 19 8.797 2.137 8.266 1.00 1.34 H new ATOM 0 HA2 GLY A 19 10.022 2.383 10.560 1.00 1.54 H new ATOM 0 HA3 GLY A 19 11.365 1.754 9.627 1.00 1.54 H new ATOM 289 N GLU A 20 11.458 4.446 9.631 1.00 1.53 N ATOM 290 CA GLU A 20 11.740 5.796 9.184 1.00 1.66 C ATOM 291 C GLU A 20 12.455 5.806 7.831 1.00 1.69 C ATOM 292 O GLU A 20 13.660 5.537 7.743 1.00 2.04 O ATOM 293 CB GLU A 20 12.534 6.571 10.242 1.00 2.11 C ATOM 294 CG GLU A 20 12.943 7.962 9.796 1.00 2.61 C ATOM 295 CD GLU A 20 13.593 8.760 10.883 1.00 3.24 C ATOM 296 OE1 GLU A 20 14.666 8.367 11.379 1.00 3.97 O ATOM 297 OE2 GLU A 20 13.032 9.784 11.289 1.00 3.36 O ATOM 0 H GLU A 20 11.937 4.182 10.492 1.00 1.53 H new ATOM 0 HA GLU A 20 10.785 6.302 9.046 1.00 1.66 H new ATOM 0 HB2 GLU A 20 11.934 6.651 11.148 1.00 2.11 H new ATOM 0 HB3 GLU A 20 13.428 6.004 10.501 1.00 2.11 H new ATOM 0 HG2 GLU A 20 13.630 7.880 8.954 1.00 2.61 H new ATOM 0 HG3 GLU A 20 12.063 8.496 9.438 1.00 2.61 H new ATOM 304 N THR A 21 11.676 6.070 6.787 1.00 1.88 N ATOM 305 CA THR A 21 12.150 6.142 5.416 1.00 2.20 C ATOM 306 C THR A 21 12.783 4.788 4.988 1.00 2.10 C ATOM 307 O THR A 21 13.768 4.726 4.242 1.00 2.75 O ATOM 308 CB THR A 21 13.146 7.337 5.240 1.00 2.92 C ATOM 309 OG1 THR A 21 12.574 8.512 5.857 1.00 3.25 O ATOM 310 CG2 THR A 21 13.381 7.659 3.769 1.00 3.47 C ATOM 0 H THR A 21 10.675 6.243 6.877 1.00 1.88 H new ATOM 0 HA THR A 21 11.301 6.328 4.758 1.00 2.20 H new ATOM 0 HB THR A 21 14.093 7.055 5.700 1.00 2.92 H new ATOM 0 HG1 THR A 21 13.190 9.268 5.755 1.00 3.25 H new ATOM 0 HG21 THR A 21 14.077 8.493 3.686 1.00 3.47 H new ATOM 0 HG22 THR A 21 13.799 6.786 3.268 1.00 3.47 H new ATOM 0 HG23 THR A 21 12.435 7.928 3.300 1.00 3.47 H new ATOM 318 N ASP A 22 12.187 3.700 5.438 1.00 1.66 N ATOM 319 CA ASP A 22 12.672 2.402 5.030 1.00 1.92 C ATOM 320 C ASP A 22 11.841 1.939 3.871 1.00 2.00 C ATOM 321 O ASP A 22 10.670 1.604 4.029 1.00 2.52 O ATOM 322 CB ASP A 22 12.652 1.373 6.161 1.00 2.44 C ATOM 323 CG ASP A 22 13.360 0.094 5.757 1.00 3.14 C ATOM 324 OD1 ASP A 22 14.599 0.038 5.775 1.00 3.81 O ATOM 325 OD2 ASP A 22 12.666 -0.900 5.428 1.00 3.47 O ATOM 0 H ASP A 22 11.387 3.690 6.070 1.00 1.66 H new ATOM 0 HA ASP A 22 13.719 2.498 4.741 1.00 1.92 H new ATOM 0 HB2 ASP A 22 13.132 1.793 7.045 1.00 2.44 H new ATOM 0 HB3 ASP A 22 11.621 1.149 6.434 1.00 2.44 H new ATOM 330 N GLY A 23 12.436 1.939 2.724 1.00 1.96 N ATOM 331 CA GLY A 23 11.731 1.659 1.509 1.00 2.29 C ATOM 332 C GLY A 23 11.802 2.865 0.624 1.00 1.79 C ATOM 333 O GLY A 23 10.843 3.211 -0.058 1.00 2.14 O ATOM 0 H GLY A 23 13.429 2.134 2.599 1.00 1.96 H new ATOM 0 HA2 GLY A 23 12.170 0.796 1.008 1.00 2.29 H new ATOM 0 HA3 GLY A 23 10.692 1.409 1.724 1.00 2.29 H new ATOM 337 N THR A 24 12.973 3.504 0.656 1.00 1.42 N ATOM 338 CA THR A 24 13.290 4.751 -0.034 1.00 1.57 C ATOM 339 C THR A 24 12.444 5.918 0.513 1.00 1.79 C ATOM 340 O THR A 24 11.854 5.801 1.595 1.00 2.50 O ATOM 341 CB THR A 24 13.240 4.649 -1.611 1.00 2.00 C ATOM 342 OG1 THR A 24 11.910 4.397 -2.102 1.00 2.76 O ATOM 343 CG2 THR A 24 14.143 3.531 -2.092 1.00 2.01 C ATOM 0 H THR A 24 13.764 3.146 1.191 1.00 1.42 H new ATOM 0 HA THR A 24 14.336 4.963 0.189 1.00 1.57 H new ATOM 0 HB THR A 24 13.576 5.612 -1.996 1.00 2.00 H new ATOM 0 HG1 THR A 24 11.309 4.227 -1.347 1.00 2.76 H new ATOM 0 HG21 THR A 24 14.100 3.471 -3.179 1.00 2.01 H new ATOM 0 HG22 THR A 24 15.168 3.731 -1.780 1.00 2.01 H new ATOM 0 HG23 THR A 24 13.811 2.585 -1.663 1.00 2.01 H new ATOM 351 N ASP A 25 12.397 7.026 -0.183 1.00 1.60 N ATOM 352 CA ASP A 25 11.580 8.139 0.253 1.00 1.91 C ATOM 353 C ASP A 25 10.490 8.337 -0.763 1.00 1.36 C ATOM 354 O ASP A 25 10.756 8.376 -1.965 1.00 1.34 O ATOM 355 CB ASP A 25 12.411 9.411 0.441 1.00 2.62 C ATOM 356 CG ASP A 25 11.583 10.578 0.932 1.00 3.27 C ATOM 357 OD1 ASP A 25 11.212 10.618 2.124 1.00 3.79 O ATOM 358 OD2 ASP A 25 11.281 11.475 0.135 1.00 3.69 O ATOM 0 H ASP A 25 12.911 7.185 -1.050 1.00 1.60 H new ATOM 0 HA ASP A 25 11.144 7.918 1.227 1.00 1.91 H new ATOM 0 HB2 ASP A 25 13.214 9.215 1.152 1.00 2.62 H new ATOM 0 HB3 ASP A 25 12.882 9.677 -0.506 1.00 2.62 H new ATOM 363 N LEU A 26 9.283 8.451 -0.308 1.00 1.18 N ATOM 364 CA LEU A 26 8.147 8.456 -1.196 1.00 0.83 C ATOM 365 C LEU A 26 7.665 9.870 -1.527 1.00 0.82 C ATOM 366 O LEU A 26 6.511 10.068 -1.928 1.00 0.85 O ATOM 367 CB LEU A 26 6.994 7.587 -0.634 1.00 1.19 C ATOM 368 CG LEU A 26 7.279 6.072 -0.381 1.00 0.80 C ATOM 369 CD1 LEU A 26 7.976 5.407 -1.565 1.00 0.94 C ATOM 370 CD2 LEU A 26 8.041 5.830 0.922 1.00 0.87 C ATOM 0 H LEU A 26 9.050 8.543 0.681 1.00 1.18 H new ATOM 0 HA LEU A 26 8.481 8.013 -2.134 1.00 0.83 H new ATOM 0 HB2 LEU A 26 6.671 8.029 0.309 1.00 1.19 H new ATOM 0 HB3 LEU A 26 6.154 7.659 -1.324 1.00 1.19 H new ATOM 0 HG LEU A 26 6.304 5.598 -0.273 1.00 0.80 H new ATOM 0 HD11 LEU A 26 8.152 4.355 -1.340 1.00 0.94 H new ATOM 0 HD12 LEU A 26 7.346 5.488 -2.451 1.00 0.94 H new ATOM 0 HD13 LEU A 26 8.929 5.902 -1.751 1.00 0.94 H new ATOM 0 HD21 LEU A 26 8.213 4.761 1.050 1.00 0.87 H new ATOM 0 HD22 LEU A 26 8.998 6.350 0.886 1.00 0.87 H new ATOM 0 HD23 LEU A 26 7.456 6.206 1.761 1.00 0.87 H new ATOM 382 N SER A 27 8.536 10.844 -1.390 1.00 0.91 N ATOM 383 CA SER A 27 8.204 12.185 -1.789 1.00 0.99 C ATOM 384 C SER A 27 8.338 12.292 -3.309 1.00 1.04 C ATOM 385 O SER A 27 9.295 11.762 -3.900 1.00 1.44 O ATOM 386 CB SER A 27 9.087 13.171 -1.089 1.00 1.16 C ATOM 387 OG SER A 27 9.074 12.941 0.321 1.00 1.55 O ATOM 0 H SER A 27 9.474 10.730 -1.007 1.00 0.91 H new ATOM 0 HA SER A 27 7.177 12.416 -1.508 1.00 0.99 H new ATOM 0 HB2 SER A 27 10.106 13.089 -1.468 1.00 1.16 H new ATOM 0 HB3 SER A 27 8.749 14.185 -1.301 1.00 1.16 H new ATOM 0 HG SER A 27 9.838 12.379 0.568 1.00 1.55 H new ATOM 393 N GLY A 28 7.386 12.935 -3.927 1.00 1.36 N ATOM 394 CA GLY A 28 7.320 12.982 -5.360 1.00 1.53 C ATOM 395 C GLY A 28 6.365 11.916 -5.828 1.00 1.44 C ATOM 396 O GLY A 28 5.508 11.472 -5.047 1.00 2.11 O ATOM 0 H GLY A 28 6.637 13.439 -3.453 1.00 1.36 H new ATOM 0 HA2 GLY A 28 6.984 13.964 -5.692 1.00 1.53 H new ATOM 0 HA3 GLY A 28 8.308 12.821 -5.790 1.00 1.53 H new ATOM 400 N ASP A 29 6.467 11.503 -7.059 1.00 1.11 N ATOM 401 CA ASP A 29 5.644 10.407 -7.526 1.00 1.05 C ATOM 402 C ASP A 29 6.376 9.123 -7.271 1.00 0.88 C ATOM 403 O ASP A 29 7.531 8.964 -7.673 1.00 1.07 O ATOM 404 CB ASP A 29 5.292 10.509 -9.012 1.00 1.32 C ATOM 405 CG ASP A 29 4.365 9.378 -9.458 1.00 1.67 C ATOM 406 OD1 ASP A 29 4.853 8.267 -9.726 1.00 2.12 O ATOM 407 OD2 ASP A 29 3.138 9.582 -9.549 1.00 2.27 O ATOM 0 H ASP A 29 7.100 11.897 -7.755 1.00 1.11 H new ATOM 0 HA ASP A 29 4.701 10.444 -6.980 1.00 1.05 H new ATOM 0 HB2 ASP A 29 4.813 11.469 -9.206 1.00 1.32 H new ATOM 0 HB3 ASP A 29 6.207 10.483 -9.604 1.00 1.32 H new ATOM 412 N PHE A 30 5.739 8.231 -6.589 1.00 0.67 N ATOM 413 CA PHE A 30 6.343 6.966 -6.259 1.00 0.55 C ATOM 414 C PHE A 30 5.548 5.823 -6.874 1.00 0.42 C ATOM 415 O PHE A 30 5.781 4.658 -6.586 1.00 0.41 O ATOM 416 CB PHE A 30 6.443 6.814 -4.727 1.00 0.56 C ATOM 417 CG PHE A 30 5.119 6.824 -4.008 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.488 8.016 -3.693 1.00 0.68 C ATOM 419 CD2 PHE A 30 4.512 5.637 -3.648 1.00 0.52 C ATOM 420 CE1 PHE A 30 3.278 8.017 -3.044 1.00 0.74 C ATOM 421 CE2 PHE A 30 3.305 5.633 -3.001 1.00 0.60 C ATOM 422 CZ PHE A 30 2.685 6.823 -2.695 1.00 0.69 C ATOM 0 H PHE A 30 4.787 8.349 -6.241 1.00 0.67 H new ATOM 0 HA PHE A 30 7.351 6.933 -6.673 1.00 0.55 H new ATOM 0 HB2 PHE A 30 6.957 5.880 -4.501 1.00 0.56 H new ATOM 0 HB3 PHE A 30 7.061 7.622 -4.334 1.00 0.56 H new ATOM 0 HD1 PHE A 30 4.952 8.954 -3.960 1.00 0.68 H new ATOM 0 HD2 PHE A 30 4.996 4.699 -3.880 1.00 0.52 H new ATOM 0 HE1 PHE A 30 2.792 8.952 -2.807 1.00 0.74 H new ATOM 0 HE2 PHE A 30 2.840 4.696 -2.731 1.00 0.60 H new ATOM 0 HZ PHE A 30 1.735 6.821 -2.182 1.00 0.69 H new ATOM 432 N LEU A 31 4.635 6.155 -7.758 1.00 0.39 N ATOM 433 CA LEU A 31 3.765 5.155 -8.342 1.00 0.35 C ATOM 434 C LEU A 31 4.395 4.496 -9.551 1.00 0.38 C ATOM 435 O LEU A 31 3.827 3.573 -10.132 1.00 0.50 O ATOM 436 CB LEU A 31 2.356 5.696 -8.665 1.00 0.39 C ATOM 437 CG LEU A 31 1.432 5.999 -7.467 1.00 0.54 C ATOM 438 CD1 LEU A 31 1.919 7.185 -6.654 1.00 1.17 C ATOM 439 CD2 LEU A 31 0.000 6.208 -7.931 1.00 1.45 C ATOM 0 H LEU A 31 4.474 7.106 -8.089 1.00 0.39 H new ATOM 0 HA LEU A 31 3.634 4.389 -7.578 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.469 6.611 -9.246 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.853 4.972 -9.306 1.00 0.39 H new ATOM 0 HG LEU A 31 1.459 5.130 -6.810 1.00 0.54 H new ATOM 0 HD11 LEU A 31 1.237 7.360 -5.822 1.00 1.17 H new ATOM 0 HD12 LEU A 31 2.917 6.976 -6.268 1.00 1.17 H new ATOM 0 HD13 LEU A 31 1.953 8.071 -7.288 1.00 1.17 H new ATOM 0 HD21 LEU A 31 -0.634 6.420 -7.070 1.00 1.45 H new ATOM 0 HD22 LEU A 31 -0.039 7.047 -8.626 1.00 1.45 H new ATOM 0 HD23 LEU A 31 -0.356 5.307 -8.430 1.00 1.45 H new ATOM 451 N ASP A 32 5.562 4.959 -9.927 1.00 0.44 N ATOM 452 CA ASP A 32 6.280 4.386 -11.057 1.00 0.57 C ATOM 453 C ASP A 32 7.366 3.442 -10.537 1.00 0.48 C ATOM 454 O ASP A 32 8.105 2.811 -11.292 1.00 0.54 O ATOM 455 CB ASP A 32 6.855 5.511 -11.930 1.00 0.84 C ATOM 456 CG ASP A 32 7.492 5.038 -13.217 1.00 1.69 C ATOM 457 OD1 ASP A 32 6.794 4.445 -14.059 1.00 2.45 O ATOM 458 OD2 ASP A 32 8.717 5.184 -13.380 1.00 2.24 O ATOM 0 H ASP A 32 6.043 5.734 -9.470 1.00 0.44 H new ATOM 0 HA ASP A 32 5.604 3.804 -11.683 1.00 0.57 H new ATOM 0 HB2 ASP A 32 6.056 6.212 -12.170 1.00 0.84 H new ATOM 0 HB3 ASP A 32 7.598 6.060 -11.351 1.00 0.84 H new ATOM 463 N LEU A 33 7.421 3.330 -9.222 1.00 0.43 N ATOM 464 CA LEU A 33 8.350 2.443 -8.544 1.00 0.40 C ATOM 465 C LEU A 33 7.853 1.012 -8.606 1.00 0.33 C ATOM 466 O LEU A 33 6.720 0.753 -9.010 1.00 0.36 O ATOM 467 CB LEU A 33 8.494 2.835 -7.073 1.00 0.44 C ATOM 468 CG LEU A 33 9.091 4.209 -6.780 1.00 0.57 C ATOM 469 CD1 LEU A 33 9.113 4.457 -5.283 1.00 0.67 C ATOM 470 CD2 LEU A 33 10.494 4.313 -7.348 1.00 0.71 C ATOM 0 H LEU A 33 6.818 3.856 -8.590 1.00 0.43 H new ATOM 0 HA LEU A 33 9.314 2.528 -9.046 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.508 2.788 -6.611 1.00 0.44 H new ATOM 0 HB3 LEU A 33 9.112 2.084 -6.581 1.00 0.44 H new ATOM 0 HG LEU A 33 8.469 4.967 -7.257 1.00 0.57 H new ATOM 0 HD11 LEU A 33 9.541 5.440 -5.083 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.096 4.418 -4.893 1.00 0.67 H new ATOM 0 HD13 LEU A 33 9.718 3.692 -4.796 1.00 0.67 H new ATOM 0 HD21 LEU A 33 10.903 5.299 -7.129 1.00 0.71 H new ATOM 0 HD22 LEU A 33 11.127 3.549 -6.896 1.00 0.71 H new ATOM 0 HD23 LEU A 33 10.461 4.165 -8.427 1.00 0.71 H new ATOM 482 N ARG A 34 8.694 0.105 -8.212 1.00 0.31 N ATOM 483 CA ARG A 34 8.370 -1.293 -8.119 1.00 0.32 C ATOM 484 C ARG A 34 8.731 -1.724 -6.726 1.00 0.36 C ATOM 485 O ARG A 34 9.741 -1.273 -6.189 1.00 0.48 O ATOM 486 CB ARG A 34 9.198 -2.092 -9.126 1.00 0.43 C ATOM 487 CG ARG A 34 8.853 -1.843 -10.584 1.00 0.59 C ATOM 488 CD ARG A 34 9.922 -2.428 -11.490 1.00 0.89 C ATOM 489 NE ARG A 34 11.193 -1.687 -11.369 1.00 1.94 N ATOM 490 CZ ARG A 34 12.409 -2.226 -11.191 1.00 2.65 C ATOM 491 NH1 ARG A 34 12.559 -3.536 -11.049 1.00 2.65 N ATOM 492 NH2 ARG A 34 13.472 -1.438 -11.145 1.00 3.76 N ATOM 0 H ARG A 34 9.653 0.319 -7.938 1.00 0.31 H new ATOM 0 HA ARG A 34 7.315 -1.463 -8.333 1.00 0.32 H new ATOM 0 HB2 ARG A 34 10.252 -1.859 -8.973 1.00 0.43 H new ATOM 0 HB3 ARG A 34 9.073 -3.154 -8.915 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.886 -2.290 -10.817 1.00 0.59 H new ATOM 0 HG3 ARG A 34 8.761 -0.772 -10.764 1.00 0.59 H new ATOM 0 HD2 ARG A 34 10.084 -3.475 -11.236 1.00 0.89 H new ATOM 0 HD3 ARG A 34 9.580 -2.400 -12.525 1.00 0.89 H new ATOM 0 HE ARG A 34 11.142 -0.670 -11.426 1.00 1.94 H new ATOM 0 HH11 ARG A 34 11.744 -4.148 -11.074 1.00 2.65 H new ATOM 0 HH12 ARG A 34 13.490 -3.931 -10.914 1.00 2.65 H new ATOM 0 HH21 ARG A 34 13.363 -0.429 -11.245 1.00 3.76 H new ATOM 0 HH22 ARG A 34 14.400 -1.840 -11.010 1.00 3.76 H new ATOM 506 N PHE A 35 7.943 -2.573 -6.129 1.00 0.35 N ATOM 507 CA PHE A 35 8.222 -3.021 -4.783 1.00 0.41 C ATOM 508 C PHE A 35 9.507 -3.811 -4.705 1.00 0.48 C ATOM 509 O PHE A 35 10.204 -3.761 -3.694 1.00 0.54 O ATOM 510 CB PHE A 35 7.057 -3.778 -4.155 1.00 0.41 C ATOM 511 CG PHE A 35 5.895 -2.895 -3.809 1.00 0.39 C ATOM 512 CD1 PHE A 35 6.040 -1.835 -2.950 1.00 0.40 C ATOM 513 CD2 PHE A 35 4.649 -3.140 -4.354 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.969 -1.027 -2.645 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.574 -2.341 -4.054 1.00 0.46 C ATOM 516 CZ PHE A 35 3.771 -1.255 -3.143 1.00 0.46 C ATOM 0 H PHE A 35 7.102 -2.971 -6.547 1.00 0.35 H new ATOM 0 HA PHE A 35 8.357 -2.118 -4.188 1.00 0.41 H new ATOM 0 HB2 PHE A 35 6.723 -4.554 -4.844 1.00 0.41 H new ATOM 0 HB3 PHE A 35 7.404 -4.281 -3.252 1.00 0.41 H new ATOM 0 HD1 PHE A 35 7.005 -1.633 -2.509 1.00 0.40 H new ATOM 0 HD2 PHE A 35 4.519 -3.974 -5.027 1.00 0.42 H new ATOM 0 HE1 PHE A 35 5.114 -0.187 -1.982 1.00 0.44 H new ATOM 0 HE2 PHE A 35 2.605 -2.527 -4.494 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.940 -0.624 -2.865 1.00 0.46 H new ATOM 526 N GLU A 36 9.857 -4.484 -5.781 1.00 0.56 N ATOM 527 CA GLU A 36 11.091 -5.231 -5.831 1.00 0.70 C ATOM 528 C GLU A 36 12.303 -4.283 -5.773 1.00 0.69 C ATOM 529 O GLU A 36 13.343 -4.627 -5.199 1.00 0.80 O ATOM 530 CB GLU A 36 11.177 -6.083 -7.104 1.00 0.88 C ATOM 531 CG GLU A 36 11.297 -5.266 -8.380 1.00 1.65 C ATOM 532 CD GLU A 36 11.520 -6.093 -9.598 1.00 2.01 C ATOM 533 OE1 GLU A 36 12.398 -6.968 -9.567 1.00 2.26 O ATOM 534 OE2 GLU A 36 10.760 -5.940 -10.577 1.00 2.71 O ATOM 0 H GLU A 36 9.300 -4.528 -6.635 1.00 0.56 H new ATOM 0 HA GLU A 36 11.104 -5.892 -4.964 1.00 0.70 H new ATOM 0 HB2 GLU A 36 12.037 -6.749 -7.027 1.00 0.88 H new ATOM 0 HB3 GLU A 36 10.290 -6.714 -7.169 1.00 0.88 H new ATOM 0 HG2 GLU A 36 10.389 -4.678 -8.512 1.00 1.65 H new ATOM 0 HG3 GLU A 36 12.121 -4.561 -8.274 1.00 1.65 H new ATOM 541 N ASP A 37 12.165 -3.079 -6.349 1.00 0.67 N ATOM 542 CA ASP A 37 13.295 -2.166 -6.418 1.00 0.76 C ATOM 543 C ASP A 37 13.358 -1.271 -5.198 1.00 0.72 C ATOM 544 O ASP A 37 14.357 -0.596 -4.957 1.00 0.87 O ATOM 545 CB ASP A 37 13.358 -1.368 -7.751 1.00 0.88 C ATOM 546 CG ASP A 37 12.637 -0.021 -7.784 1.00 1.13 C ATOM 547 OD1 ASP A 37 11.428 -0.005 -8.114 1.00 1.61 O ATOM 548 OD2 ASP A 37 13.223 1.006 -7.391 1.00 1.43 O ATOM 0 H ASP A 37 11.301 -2.729 -6.762 1.00 0.67 H new ATOM 0 HA ASP A 37 14.194 -2.782 -6.412 1.00 0.76 H new ATOM 0 HB2 ASP A 37 14.407 -1.198 -7.996 1.00 0.88 H new ATOM 0 HB3 ASP A 37 12.944 -1.994 -8.541 1.00 0.88 H new ATOM 553 N ILE A 38 12.298 -1.276 -4.414 1.00 0.59 N ATOM 554 CA ILE A 38 12.299 -0.525 -3.174 1.00 0.62 C ATOM 555 C ILE A 38 12.355 -1.452 -1.954 1.00 0.60 C ATOM 556 O ILE A 38 12.186 -1.016 -0.818 1.00 0.66 O ATOM 557 CB ILE A 38 11.138 0.504 -3.058 1.00 0.61 C ATOM 558 CG1 ILE A 38 9.765 -0.186 -3.126 1.00 0.52 C ATOM 559 CG2 ILE A 38 11.269 1.559 -4.153 1.00 0.70 C ATOM 560 CD1 ILE A 38 8.586 0.765 -3.000 1.00 0.57 C ATOM 0 H ILE A 38 11.436 -1.784 -4.609 1.00 0.59 H new ATOM 0 HA ILE A 38 13.213 0.068 -3.193 1.00 0.62 H new ATOM 0 HB ILE A 38 11.208 0.991 -2.085 1.00 0.61 H new ATOM 0 HG12 ILE A 38 9.686 -0.722 -4.072 1.00 0.52 H new ATOM 0 HG13 ILE A 38 9.704 -0.930 -2.332 1.00 0.52 H new ATOM 0 HG21 ILE A 38 10.453 2.277 -4.066 1.00 0.70 H new ATOM 0 HG22 ILE A 38 12.222 2.078 -4.046 1.00 0.70 H new ATOM 0 HG23 ILE A 38 11.226 1.077 -5.130 1.00 0.70 H new ATOM 0 HD11 ILE A 38 7.655 0.200 -3.058 1.00 0.57 H new ATOM 0 HD12 ILE A 38 8.637 1.283 -2.042 1.00 0.57 H new ATOM 0 HD13 ILE A 38 8.619 1.494 -3.809 1.00 0.57 H new ATOM 572 N GLY A 39 12.643 -2.727 -2.217 1.00 0.57 N ATOM 573 CA GLY A 39 12.859 -3.715 -1.165 1.00 0.58 C ATOM 574 C GLY A 39 11.622 -4.020 -0.340 1.00 0.50 C ATOM 575 O GLY A 39 11.707 -4.183 0.878 1.00 0.57 O ATOM 0 H GLY A 39 12.732 -3.101 -3.162 1.00 0.57 H new ATOM 0 HA2 GLY A 39 13.218 -4.639 -1.617 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.647 -3.358 -0.501 1.00 0.58 H new ATOM 579 N TYR A 40 10.491 -4.115 -0.989 1.00 0.43 N ATOM 580 CA TYR A 40 9.243 -4.390 -0.315 1.00 0.41 C ATOM 581 C TYR A 40 8.757 -5.796 -0.543 1.00 0.45 C ATOM 582 O TYR A 40 8.635 -6.261 -1.679 1.00 0.67 O ATOM 583 CB TYR A 40 8.170 -3.391 -0.691 1.00 0.44 C ATOM 584 CG TYR A 40 8.059 -2.236 0.261 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.947 -1.183 0.216 1.00 0.66 C ATOM 586 CD2 TYR A 40 7.051 -2.207 1.213 1.00 0.61 C ATOM 587 CE1 TYR A 40 8.842 -0.130 1.090 1.00 0.88 C ATOM 588 CE2 TYR A 40 6.932 -1.158 2.094 1.00 0.86 C ATOM 589 CZ TYR A 40 7.838 -0.118 2.027 1.00 0.98 C ATOM 590 OH TYR A 40 7.743 0.933 2.893 1.00 1.26 O ATOM 0 H TYR A 40 10.406 -4.004 -1.999 1.00 0.43 H new ATOM 0 HA TYR A 40 9.450 -4.287 0.750 1.00 0.41 H new ATOM 0 HB2 TYR A 40 8.377 -3.008 -1.690 1.00 0.44 H new ATOM 0 HB3 TYR A 40 7.209 -3.904 -0.739 1.00 0.44 H new ATOM 0 HD1 TYR A 40 9.738 -1.186 -0.519 1.00 0.66 H new ATOM 0 HD2 TYR A 40 6.346 -3.024 1.263 1.00 0.61 H new ATOM 0 HE1 TYR A 40 9.547 0.687 1.041 1.00 0.88 H new ATOM 0 HE2 TYR A 40 6.140 -1.148 2.829 1.00 0.86 H new ATOM 0 HH TYR A 40 7.200 0.672 3.666 1.00 1.26 H new ATOM 600 N ASP A 41 8.495 -6.461 0.546 1.00 0.48 N ATOM 601 CA ASP A 41 7.992 -7.816 0.544 1.00 0.59 C ATOM 602 C ASP A 41 6.492 -7.809 0.612 1.00 0.45 C ATOM 603 O ASP A 41 5.891 -6.828 1.054 1.00 0.39 O ATOM 604 CB ASP A 41 8.521 -8.602 1.745 1.00 0.85 C ATOM 605 CG ASP A 41 10.007 -8.851 1.706 1.00 1.50 C ATOM 606 OD1 ASP A 41 10.793 -7.966 2.107 1.00 2.01 O ATOM 607 OD2 ASP A 41 10.421 -9.942 1.284 1.00 2.11 O ATOM 0 H ASP A 41 8.626 -6.074 1.481 1.00 0.48 H new ATOM 0 HA ASP A 41 8.330 -8.290 -0.377 1.00 0.59 H new ATOM 0 HB2 ASP A 41 8.278 -8.059 2.658 1.00 0.85 H new ATOM 0 HB3 ASP A 41 8.003 -9.560 1.796 1.00 0.85 H new ATOM 612 N SER A 42 5.891 -8.905 0.225 1.00 0.45 N ATOM 613 CA SER A 42 4.443 -9.062 0.272 1.00 0.41 C ATOM 614 C SER A 42 3.927 -9.021 1.701 1.00 0.33 C ATOM 615 O SER A 42 2.822 -8.539 1.956 1.00 0.30 O ATOM 616 CB SER A 42 3.992 -10.342 -0.434 1.00 0.50 C ATOM 617 OG SER A 42 5.134 -11.206 -0.752 1.00 0.71 O ATOM 0 H SER A 42 6.385 -9.722 -0.134 1.00 0.45 H new ATOM 0 HA SER A 42 4.011 -8.218 -0.265 1.00 0.41 H new ATOM 0 HB2 SER A 42 3.290 -10.882 0.201 1.00 0.50 H new ATOM 0 HB3 SER A 42 3.460 -10.086 -1.351 1.00 0.50 H new ATOM 622 N LEU A 43 4.729 -9.531 2.622 1.00 0.35 N ATOM 623 CA LEU A 43 4.420 -9.468 4.036 1.00 0.37 C ATOM 624 C LEU A 43 4.260 -8.003 4.457 1.00 0.33 C ATOM 625 O LEU A 43 3.276 -7.636 5.075 1.00 0.38 O ATOM 626 CB LEU A 43 5.523 -10.153 4.849 1.00 0.49 C ATOM 627 CG LEU A 43 5.308 -10.220 6.364 1.00 0.63 C ATOM 628 CD1 LEU A 43 4.038 -10.991 6.700 1.00 1.02 C ATOM 629 CD2 LEU A 43 6.511 -10.856 7.036 1.00 1.03 C ATOM 0 H LEU A 43 5.610 -9.999 2.408 1.00 0.35 H new ATOM 0 HA LEU A 43 3.484 -9.993 4.229 1.00 0.37 H new ATOM 0 HB2 LEU A 43 5.642 -11.170 4.475 1.00 0.49 H new ATOM 0 HB3 LEU A 43 6.461 -9.632 4.659 1.00 0.49 H new ATOM 0 HG LEU A 43 5.193 -9.203 6.740 1.00 0.63 H new ATOM 0 HD11 LEU A 43 3.908 -11.024 7.782 1.00 1.02 H new ATOM 0 HD12 LEU A 43 3.180 -10.494 6.247 1.00 1.02 H new ATOM 0 HD13 LEU A 43 4.116 -12.007 6.312 1.00 1.02 H new ATOM 0 HD21 LEU A 43 6.346 -10.898 8.113 1.00 1.03 H new ATOM 0 HD22 LEU A 43 6.651 -11.866 6.651 1.00 1.03 H new ATOM 0 HD23 LEU A 43 7.401 -10.261 6.828 1.00 1.03 H new ATOM 641 N ALA A 44 5.191 -7.167 4.024 1.00 0.33 N ATOM 642 CA ALA A 44 5.145 -5.742 4.319 1.00 0.37 C ATOM 643 C ALA A 44 3.957 -5.095 3.620 1.00 0.31 C ATOM 644 O ALA A 44 3.348 -4.169 4.141 1.00 0.35 O ATOM 645 CB ALA A 44 6.442 -5.068 3.890 1.00 0.46 C ATOM 0 H ALA A 44 5.993 -7.453 3.463 1.00 0.33 H new ATOM 0 HA ALA A 44 5.028 -5.615 5.395 1.00 0.37 H new ATOM 0 HB1 ALA A 44 6.391 -4.003 4.117 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.279 -5.514 4.427 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.585 -5.204 2.818 1.00 0.46 H new ATOM 651 N LEU A 45 3.623 -5.605 2.452 1.00 0.26 N ATOM 652 CA LEU A 45 2.512 -5.090 1.666 1.00 0.25 C ATOM 653 C LEU A 45 1.178 -5.373 2.319 1.00 0.28 C ATOM 654 O LEU A 45 0.330 -4.485 2.413 1.00 0.29 O ATOM 655 CB LEU A 45 2.531 -5.654 0.257 1.00 0.28 C ATOM 656 CG LEU A 45 3.740 -5.279 -0.567 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.632 -5.861 -1.957 1.00 0.39 C ATOM 658 CD2 LEU A 45 3.875 -3.775 -0.616 1.00 0.40 C ATOM 0 H LEU A 45 4.112 -6.388 2.018 1.00 0.26 H new ATOM 0 HA LEU A 45 2.638 -4.009 1.614 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.474 -6.741 0.317 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.636 -5.316 -0.265 1.00 0.28 H new ATOM 0 HG LEU A 45 4.635 -5.693 -0.102 1.00 0.34 H new ATOM 0 HD11 LEU A 45 4.511 -5.581 -2.538 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.570 -6.947 -1.893 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.737 -5.475 -2.445 1.00 0.39 H new ATOM 0 HD21 LEU A 45 4.748 -3.507 -1.211 1.00 0.40 H new ATOM 0 HD22 LEU A 45 2.982 -3.344 -1.068 1.00 0.40 H new ATOM 0 HD23 LEU A 45 3.993 -3.387 0.396 1.00 0.40 H new ATOM 670 N MET A 46 0.994 -6.596 2.788 1.00 0.34 N ATOM 671 CA MET A 46 -0.240 -6.956 3.462 1.00 0.44 C ATOM 672 C MET A 46 -0.355 -6.206 4.783 1.00 0.40 C ATOM 673 O MET A 46 -1.442 -5.811 5.181 1.00 0.45 O ATOM 674 CB MET A 46 -0.408 -8.495 3.606 1.00 0.71 C ATOM 675 CG MET A 46 0.631 -9.226 4.460 1.00 0.38 C ATOM 676 SD MET A 46 0.379 -9.057 6.251 1.00 1.64 S ATOM 677 CE MET A 46 -1.246 -9.782 6.440 1.00 2.26 C ATOM 0 H MET A 46 1.677 -7.350 2.715 1.00 0.34 H new ATOM 0 HA MET A 46 -1.078 -6.642 2.839 1.00 0.44 H new ATOM 0 HB2 MET A 46 -1.394 -8.691 4.028 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.396 -8.933 2.608 1.00 0.71 H new ATOM 0 HG2 MET A 46 0.617 -10.285 4.201 1.00 0.38 H new ATOM 0 HG3 MET A 46 1.622 -8.849 4.207 1.00 0.38 H new ATOM 0 HE1 MET A 46 -1.443 -9.962 7.497 1.00 2.26 H new ATOM 0 HE2 MET A 46 -1.997 -9.100 6.042 1.00 2.26 H new ATOM 0 HE3 MET A 46 -1.289 -10.726 5.897 1.00 2.26 H new ATOM 687 N GLU A 47 0.788 -5.968 5.428 1.00 0.40 N ATOM 688 CA GLU A 47 0.845 -5.154 6.634 1.00 0.46 C ATOM 689 C GLU A 47 0.433 -3.708 6.333 1.00 0.43 C ATOM 690 O GLU A 47 -0.295 -3.070 7.116 1.00 0.53 O ATOM 691 CB GLU A 47 2.243 -5.187 7.245 1.00 0.54 C ATOM 692 CG GLU A 47 2.587 -6.467 7.977 1.00 1.22 C ATOM 693 CD GLU A 47 3.891 -6.350 8.716 1.00 1.77 C ATOM 694 OE1 GLU A 47 3.998 -5.562 9.658 1.00 2.22 O ATOM 695 OE2 GLU A 47 4.860 -7.058 8.345 1.00 2.46 O ATOM 0 H GLU A 47 1.692 -6.333 5.129 1.00 0.40 H new ATOM 0 HA GLU A 47 0.143 -5.572 7.355 1.00 0.46 H new ATOM 0 HB2 GLU A 47 2.974 -5.031 6.452 1.00 0.54 H new ATOM 0 HB3 GLU A 47 2.341 -4.351 7.938 1.00 0.54 H new ATOM 0 HG2 GLU A 47 1.790 -6.710 8.680 1.00 1.22 H new ATOM 0 HG3 GLU A 47 2.645 -7.290 7.264 1.00 1.22 H new ATOM 702 N THR A 48 0.899 -3.211 5.205 1.00 0.33 N ATOM 703 CA THR A 48 0.561 -1.888 4.722 1.00 0.33 C ATOM 704 C THR A 48 -0.959 -1.799 4.469 1.00 0.31 C ATOM 705 O THR A 48 -1.630 -0.882 4.977 1.00 0.36 O ATOM 706 CB THR A 48 1.351 -1.590 3.418 1.00 0.32 C ATOM 707 OG1 THR A 48 2.763 -1.619 3.692 1.00 0.37 O ATOM 708 CG2 THR A 48 0.984 -0.235 2.841 1.00 0.38 C ATOM 0 H THR A 48 1.532 -3.722 4.590 1.00 0.33 H new ATOM 0 HA THR A 48 0.833 -1.145 5.472 1.00 0.33 H new ATOM 0 HB THR A 48 1.091 -2.356 2.687 1.00 0.32 H new ATOM 0 HG1 THR A 48 3.043 -2.541 3.869 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.556 -0.061 1.930 1.00 0.38 H new ATOM 0 HG22 THR A 48 -0.081 -0.214 2.611 1.00 0.38 H new ATOM 0 HG23 THR A 48 1.213 0.544 3.568 1.00 0.38 H new ATOM 716 N ALA A 49 -1.490 -2.759 3.699 1.00 0.29 N ATOM 717 CA ALA A 49 -2.900 -2.824 3.394 1.00 0.31 C ATOM 718 C ALA A 49 -3.714 -2.875 4.671 1.00 0.29 C ATOM 719 O ALA A 49 -4.599 -2.063 4.849 1.00 0.27 O ATOM 720 CB ALA A 49 -3.203 -4.028 2.514 1.00 0.35 C ATOM 0 H ALA A 49 -0.941 -3.507 3.276 1.00 0.29 H new ATOM 0 HA ALA A 49 -3.177 -1.924 2.845 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -4.270 -4.059 2.295 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.644 -3.947 1.582 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.912 -4.941 3.034 1.00 0.35 H new ATOM 726 N ALA A 50 -3.339 -3.787 5.577 1.00 0.33 N ATOM 727 CA ALA A 50 -4.006 -3.994 6.875 1.00 0.37 C ATOM 728 C ALA A 50 -4.250 -2.684 7.612 1.00 0.33 C ATOM 729 O ALA A 50 -5.363 -2.416 8.082 1.00 0.34 O ATOM 730 CB ALA A 50 -3.154 -4.894 7.743 1.00 0.47 C ATOM 0 H ALA A 50 -2.549 -4.415 5.428 1.00 0.33 H new ATOM 0 HA ALA A 50 -4.974 -4.453 6.675 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.647 -5.047 8.703 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -3.018 -5.855 7.247 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -2.182 -4.429 7.905 1.00 0.47 H new ATOM 736 N ARG A 51 -3.212 -1.868 7.677 1.00 0.34 N ATOM 737 CA ARG A 51 -3.255 -0.570 8.330 1.00 0.36 C ATOM 738 C ARG A 51 -4.341 0.328 7.719 1.00 0.33 C ATOM 739 O ARG A 51 -5.114 0.982 8.432 1.00 0.42 O ATOM 740 CB ARG A 51 -1.874 0.092 8.216 1.00 0.44 C ATOM 741 CG ARG A 51 -1.836 1.547 8.627 1.00 0.54 C ATOM 742 CD ARG A 51 -0.442 2.109 8.543 1.00 0.88 C ATOM 743 NE ARG A 51 -0.437 3.569 8.750 1.00 1.06 N ATOM 744 CZ ARG A 51 -0.017 4.212 9.853 1.00 1.91 C ATOM 745 NH1 ARG A 51 0.408 3.533 10.928 1.00 2.92 N ATOM 746 NH2 ARG A 51 -0.042 5.543 9.873 1.00 2.00 N ATOM 0 H ARG A 51 -2.303 -2.091 7.272 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.508 -0.710 9.381 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -1.167 -0.464 8.832 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -1.531 0.011 7.185 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -2.501 2.125 7.985 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -2.209 1.648 9.646 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.190 1.632 9.292 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -0.013 1.877 7.568 1.00 0.88 H new ATOM 0 HE ARG A 51 -0.785 4.145 7.984 1.00 1.06 H new ATOM 0 HH11 ARG A 51 0.416 2.513 10.917 1.00 2.92 H new ATOM 0 HH12 ARG A 51 0.724 4.036 11.757 1.00 2.92 H new ATOM 0 HH21 ARG A 51 -0.376 6.059 9.059 1.00 2.00 H new ATOM 0 HH22 ARG A 51 0.273 6.047 10.702 1.00 2.00 H new ATOM 760 N LEU A 52 -4.417 0.323 6.419 1.00 0.28 N ATOM 761 CA LEU A 52 -5.347 1.160 5.699 1.00 0.30 C ATOM 762 C LEU A 52 -6.748 0.566 5.741 1.00 0.30 C ATOM 763 O LEU A 52 -7.729 1.282 5.996 1.00 0.37 O ATOM 764 CB LEU A 52 -4.848 1.353 4.273 1.00 0.31 C ATOM 765 CG LEU A 52 -3.444 1.962 4.179 1.00 0.35 C ATOM 766 CD1 LEU A 52 -2.981 2.053 2.749 1.00 0.41 C ATOM 767 CD2 LEU A 52 -3.415 3.330 4.830 1.00 0.40 C ATOM 0 H LEU A 52 -3.835 -0.263 5.821 1.00 0.28 H new ATOM 0 HA LEU A 52 -5.407 2.139 6.175 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -4.849 0.388 3.765 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -5.548 1.995 3.738 1.00 0.31 H new ATOM 0 HG LEU A 52 -2.759 1.303 4.713 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -1.982 2.489 2.717 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -2.956 1.055 2.311 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -3.669 2.681 2.183 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -2.411 3.748 4.754 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -4.121 3.989 4.324 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -3.692 3.239 5.880 1.00 0.40 H new ATOM 779 N GLU A 53 -6.827 -0.753 5.556 1.00 0.27 N ATOM 780 CA GLU A 53 -8.082 -1.506 5.611 1.00 0.30 C ATOM 781 C GLU A 53 -8.783 -1.248 6.931 1.00 0.33 C ATOM 782 O GLU A 53 -9.997 -1.072 6.980 1.00 0.35 O ATOM 783 CB GLU A 53 -7.822 -3.006 5.540 1.00 0.33 C ATOM 784 CG GLU A 53 -7.244 -3.556 4.267 1.00 0.37 C ATOM 785 CD GLU A 53 -7.188 -5.051 4.353 1.00 0.58 C ATOM 786 OE1 GLU A 53 -8.188 -5.722 4.089 1.00 0.71 O ATOM 787 OE2 GLU A 53 -6.108 -5.592 4.618 1.00 0.91 O ATOM 0 H GLU A 53 -6.012 -1.335 5.362 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.690 -1.183 4.766 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -7.147 -3.268 6.355 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.765 -3.519 5.729 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -7.854 -3.252 3.416 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -6.245 -3.152 4.104 1.00 0.37 H new ATOM 794 N SER A 54 -7.989 -1.229 7.989 1.00 0.37 N ATOM 795 CA SER A 54 -8.457 -1.031 9.333 1.00 0.44 C ATOM 796 C SER A 54 -9.203 0.306 9.490 1.00 0.43 C ATOM 797 O SER A 54 -10.261 0.362 10.131 1.00 0.52 O ATOM 798 CB SER A 54 -7.266 -1.108 10.307 1.00 0.54 C ATOM 799 OG SER A 54 -7.688 -1.037 11.659 1.00 1.44 O ATOM 0 H SER A 54 -6.979 -1.355 7.926 1.00 0.37 H new ATOM 0 HA SER A 54 -9.170 -1.822 9.566 1.00 0.44 H new ATOM 0 HB2 SER A 54 -6.722 -2.039 10.144 1.00 0.54 H new ATOM 0 HB3 SER A 54 -6.573 -0.293 10.099 1.00 0.54 H new ATOM 0 HG SER A 54 -6.907 -1.090 12.249 1.00 1.44 H new ATOM 805 N ARG A 55 -8.692 1.356 8.874 1.00 0.44 N ATOM 806 CA ARG A 55 -9.286 2.672 9.044 1.00 0.50 C ATOM 807 C ARG A 55 -10.483 2.844 8.137 1.00 0.50 C ATOM 808 O ARG A 55 -11.541 3.298 8.569 1.00 0.62 O ATOM 809 CB ARG A 55 -8.294 3.762 8.711 1.00 0.59 C ATOM 810 CG ARG A 55 -8.765 5.149 9.133 1.00 0.97 C ATOM 811 CD ARG A 55 -7.927 6.227 8.505 1.00 1.13 C ATOM 812 NE ARG A 55 -6.506 5.905 8.558 1.00 1.24 N ATOM 813 CZ ARG A 55 -5.629 6.353 7.681 1.00 1.64 C ATOM 814 NH1 ARG A 55 -5.896 7.439 6.981 1.00 1.93 N ATOM 815 NH2 ARG A 55 -4.458 5.762 7.556 1.00 2.25 N ATOM 0 H ARG A 55 -7.878 1.327 8.259 1.00 0.44 H new ATOM 0 HA ARG A 55 -9.590 2.750 10.088 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -7.345 3.543 9.200 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -8.107 3.759 7.637 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -9.808 5.284 8.847 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -8.719 5.236 10.219 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -8.230 6.366 7.467 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -8.105 7.172 9.018 1.00 1.13 H new ATOM 0 HE ARG A 55 -6.174 5.303 9.311 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -6.779 7.930 7.119 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -5.219 7.787 6.302 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -4.229 4.956 8.138 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -3.781 6.110 6.877 1.00 2.25 H new ATOM 829 N TYR A 56 -10.306 2.478 6.885 1.00 0.42 N ATOM 830 CA TYR A 56 -11.327 2.676 5.874 1.00 0.44 C ATOM 831 C TYR A 56 -12.459 1.647 5.973 1.00 0.43 C ATOM 832 O TYR A 56 -13.498 1.796 5.330 1.00 0.52 O ATOM 833 CB TYR A 56 -10.703 2.706 4.476 1.00 0.44 C ATOM 834 CG TYR A 56 -9.785 3.902 4.220 1.00 0.49 C ATOM 835 CD1 TYR A 56 -10.295 5.096 3.738 1.00 0.62 C ATOM 836 CD2 TYR A 56 -8.419 3.832 4.455 1.00 0.48 C ATOM 837 CE1 TYR A 56 -9.480 6.185 3.497 1.00 0.71 C ATOM 838 CE2 TYR A 56 -7.594 4.917 4.217 1.00 0.55 C ATOM 839 CZ TYR A 56 -8.134 6.093 3.738 1.00 0.69 C ATOM 840 OH TYR A 56 -7.314 7.179 3.491 1.00 0.77 O ATOM 0 H TYR A 56 -9.454 2.036 6.539 1.00 0.42 H new ATOM 0 HA TYR A 56 -11.786 3.647 6.060 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -10.135 1.788 4.325 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -11.502 2.711 3.735 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -11.355 5.178 3.546 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -7.992 2.914 4.831 1.00 0.48 H new ATOM 0 HE1 TYR A 56 -9.902 7.105 3.120 1.00 0.71 H new ATOM 0 HE2 TYR A 56 -6.533 4.844 4.405 1.00 0.55 H new ATOM 0 HH TYR A 56 -6.446 7.038 3.923 1.00 0.77 H new ATOM 850 N GLY A 57 -12.245 0.614 6.774 1.00 0.38 N ATOM 851 CA GLY A 57 -13.271 -0.377 7.021 1.00 0.41 C ATOM 852 C GLY A 57 -13.510 -1.282 5.838 1.00 0.39 C ATOM 853 O GLY A 57 -14.647 -1.421 5.371 1.00 0.51 O ATOM 0 H GLY A 57 -11.366 0.444 7.263 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -12.986 -0.981 7.882 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -14.202 0.128 7.280 1.00 0.41 H new ATOM 857 N VAL A 58 -12.455 -1.892 5.338 1.00 0.34 N ATOM 858 CA VAL A 58 -12.574 -2.795 4.210 1.00 0.36 C ATOM 859 C VAL A 58 -11.898 -4.121 4.500 1.00 0.39 C ATOM 860 O VAL A 58 -11.261 -4.285 5.543 1.00 0.42 O ATOM 861 CB VAL A 58 -12.029 -2.209 2.868 1.00 0.36 C ATOM 862 CG1 VAL A 58 -12.787 -0.969 2.477 1.00 0.41 C ATOM 863 CG2 VAL A 58 -10.538 -1.900 2.957 1.00 0.34 C ATOM 0 H VAL A 58 -11.506 -1.780 5.694 1.00 0.34 H new ATOM 0 HA VAL A 58 -13.645 -2.946 4.075 1.00 0.36 H new ATOM 0 HB VAL A 58 -12.175 -2.969 2.101 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -12.389 -0.580 1.540 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -13.842 -1.212 2.350 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -12.680 -0.216 3.257 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -10.193 -1.494 2.006 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -10.364 -1.170 3.747 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -9.990 -2.815 3.181 1.00 0.34 H new ATOM 873 N SER A 59 -12.036 -5.047 3.587 1.00 0.43 N ATOM 874 CA SER A 59 -11.415 -6.336 3.681 1.00 0.49 C ATOM 875 C SER A 59 -10.893 -6.742 2.302 1.00 0.45 C ATOM 876 O SER A 59 -11.668 -6.999 1.384 1.00 0.56 O ATOM 877 CB SER A 59 -12.420 -7.358 4.210 1.00 0.67 C ATOM 878 OG SER A 59 -12.957 -6.938 5.468 1.00 1.48 O ATOM 0 H SER A 59 -12.594 -4.921 2.743 1.00 0.43 H new ATOM 0 HA SER A 59 -10.576 -6.296 4.376 1.00 0.49 H new ATOM 0 HB2 SER A 59 -13.228 -7.487 3.490 1.00 0.67 H new ATOM 0 HB3 SER A 59 -11.935 -8.328 4.322 1.00 0.67 H new ATOM 0 HG SER A 59 -13.599 -7.605 5.789 1.00 1.48 H new ATOM 884 N ILE A 60 -9.601 -6.707 2.154 1.00 0.39 N ATOM 885 CA ILE A 60 -8.930 -7.055 0.922 1.00 0.43 C ATOM 886 C ILE A 60 -8.086 -8.315 1.160 1.00 0.35 C ATOM 887 O ILE A 60 -7.406 -8.411 2.185 1.00 0.42 O ATOM 888 CB ILE A 60 -8.002 -5.881 0.470 1.00 0.58 C ATOM 889 CG1 ILE A 60 -8.825 -4.594 0.294 1.00 0.75 C ATOM 890 CG2 ILE A 60 -7.253 -6.225 -0.823 1.00 0.71 C ATOM 891 CD1 ILE A 60 -8.003 -3.375 -0.053 1.00 1.01 C ATOM 0 H ILE A 60 -8.964 -6.430 2.901 1.00 0.39 H new ATOM 0 HA ILE A 60 -9.668 -7.241 0.142 1.00 0.43 H new ATOM 0 HB ILE A 60 -7.256 -5.720 1.249 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -9.565 -4.754 -0.490 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -9.373 -4.398 1.215 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -6.617 -5.387 -1.109 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -6.637 -7.110 -0.662 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -7.972 -6.423 -1.618 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -8.660 -2.512 -0.159 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -7.280 -3.186 0.741 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -7.475 -3.547 -0.991 1.00 1.01 H new ATOM 903 N PRO A 61 -8.151 -9.308 0.246 1.00 0.43 N ATOM 904 CA PRO A 61 -7.359 -10.545 0.351 1.00 0.50 C ATOM 905 C PRO A 61 -5.858 -10.256 0.477 1.00 0.46 C ATOM 906 O PRO A 61 -5.269 -9.562 -0.366 1.00 0.40 O ATOM 907 CB PRO A 61 -7.638 -11.265 -0.969 1.00 0.63 C ATOM 908 CG PRO A 61 -8.936 -10.721 -1.446 1.00 0.74 C ATOM 909 CD PRO A 61 -9.011 -9.306 -0.954 1.00 0.63 C ATOM 0 HA PRO A 61 -7.627 -11.123 1.235 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -6.844 -11.080 -1.693 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -7.693 -12.344 -0.824 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -8.996 -10.757 -2.534 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -9.768 -11.310 -1.061 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -8.651 -8.602 -1.704 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -10.035 -9.019 -0.713 1.00 0.63 H new ATOM 917 N ASP A 62 -5.253 -10.806 1.513 1.00 0.61 N ATOM 918 CA ASP A 62 -3.833 -10.586 1.822 1.00 0.72 C ATOM 919 C ASP A 62 -2.894 -11.107 0.733 1.00 0.66 C ATOM 920 O ASP A 62 -1.840 -10.516 0.488 1.00 0.67 O ATOM 921 CB ASP A 62 -3.456 -11.139 3.217 1.00 1.04 C ATOM 922 CG ASP A 62 -3.822 -12.595 3.421 1.00 1.22 C ATOM 923 OD1 ASP A 62 -4.969 -12.871 3.887 1.00 1.74 O ATOM 924 OD2 ASP A 62 -3.007 -13.467 3.138 1.00 1.73 O ATOM 0 H ASP A 62 -5.726 -11.423 2.174 1.00 0.61 H new ATOM 0 HA ASP A 62 -3.695 -9.505 1.848 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.383 -11.020 3.366 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -3.952 -10.540 3.981 1.00 1.04 H new ATOM 929 N ASP A 63 -3.294 -12.180 0.049 1.00 0.68 N ATOM 930 CA ASP A 63 -2.496 -12.726 -1.071 1.00 0.73 C ATOM 931 C ASP A 63 -2.426 -11.701 -2.199 1.00 0.63 C ATOM 932 O ASP A 63 -1.360 -11.435 -2.758 1.00 0.78 O ATOM 933 CB ASP A 63 -3.127 -14.026 -1.597 1.00 0.92 C ATOM 934 CG ASP A 63 -2.368 -14.666 -2.753 1.00 1.41 C ATOM 935 OD1 ASP A 63 -2.521 -14.204 -3.913 1.00 2.17 O ATOM 936 OD2 ASP A 63 -1.582 -15.613 -2.526 1.00 1.81 O ATOM 0 H ASP A 63 -4.156 -12.690 0.241 1.00 0.68 H new ATOM 0 HA ASP A 63 -1.491 -12.943 -0.710 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -3.191 -14.743 -0.778 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -4.147 -13.817 -1.918 1.00 0.92 H new ATOM 941 N VAL A 64 -3.571 -11.098 -2.482 1.00 0.48 N ATOM 942 CA VAL A 64 -3.709 -10.090 -3.530 1.00 0.44 C ATOM 943 C VAL A 64 -2.947 -8.822 -3.134 1.00 0.38 C ATOM 944 O VAL A 64 -2.243 -8.220 -3.953 1.00 0.41 O ATOM 945 CB VAL A 64 -5.209 -9.742 -3.765 1.00 0.50 C ATOM 946 CG1 VAL A 64 -5.376 -8.705 -4.866 1.00 0.57 C ATOM 947 CG2 VAL A 64 -6.004 -10.993 -4.102 1.00 0.58 C ATOM 0 H VAL A 64 -4.441 -11.295 -1.987 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.294 -10.494 -4.453 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.594 -9.316 -2.838 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -6.435 -8.487 -5.003 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -4.850 -7.792 -4.588 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -4.963 -9.093 -5.797 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -7.049 -10.728 -4.262 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.602 -11.447 -5.008 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -5.932 -11.703 -3.278 1.00 0.58 H new ATOM 957 N ALA A 65 -3.080 -8.441 -1.869 1.00 0.36 N ATOM 958 CA ALA A 65 -2.419 -7.257 -1.316 1.00 0.36 C ATOM 959 C ALA A 65 -0.900 -7.346 -1.439 1.00 0.38 C ATOM 960 O ALA A 65 -0.223 -6.338 -1.543 1.00 0.46 O ATOM 961 CB ALA A 65 -2.821 -7.060 0.137 1.00 0.42 C ATOM 0 H ALA A 65 -3.652 -8.945 -1.191 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.746 -6.395 -1.898 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -2.323 -6.177 0.536 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.901 -6.927 0.201 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -2.528 -7.935 0.717 1.00 0.42 H new ATOM 967 N GLY A 66 -0.380 -8.556 -1.439 1.00 0.39 N ATOM 968 CA GLY A 66 1.038 -8.741 -1.579 1.00 0.46 C ATOM 969 C GLY A 66 1.447 -9.092 -3.004 1.00 0.48 C ATOM 970 O GLY A 66 2.626 -9.334 -3.277 1.00 0.77 O ATOM 0 H GLY A 66 -0.919 -9.417 -1.344 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.551 -7.830 -1.272 1.00 0.46 H new ATOM 0 HA3 GLY A 66 1.365 -9.533 -0.906 1.00 0.46 H new ATOM 974 N ARG A 67 0.493 -9.103 -3.924 1.00 0.36 N ATOM 975 CA ARG A 67 0.762 -9.497 -5.279 1.00 0.41 C ATOM 976 C ARG A 67 1.020 -8.252 -6.128 1.00 0.37 C ATOM 977 O ARG A 67 1.418 -8.341 -7.299 1.00 0.47 O ATOM 978 CB ARG A 67 -0.449 -10.231 -5.806 1.00 0.55 C ATOM 979 CG ARG A 67 -0.265 -10.904 -7.136 1.00 1.14 C ATOM 980 CD ARG A 67 -1.607 -11.223 -7.719 1.00 1.95 C ATOM 981 NE ARG A 67 -2.357 -9.983 -7.984 1.00 2.92 N ATOM 982 CZ ARG A 67 -3.692 -9.903 -8.087 1.00 4.03 C ATOM 983 NH1 ARG A 67 -4.466 -10.853 -7.558 1.00 4.35 N ATOM 984 NH2 ARG A 67 -4.248 -8.836 -8.644 1.00 5.04 N ATOM 0 H ARG A 67 -0.476 -8.840 -3.745 1.00 0.36 H new ATOM 0 HA ARG A 67 1.640 -10.142 -5.321 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -0.744 -10.984 -5.075 1.00 0.55 H new ATOM 0 HB3 ARG A 67 -1.275 -9.524 -5.886 1.00 0.55 H new ATOM 0 HG2 ARG A 67 0.292 -10.255 -7.811 1.00 1.14 H new ATOM 0 HG3 ARG A 67 0.319 -11.817 -7.017 1.00 1.14 H new ATOM 0 HD2 ARG A 67 -1.485 -11.787 -8.644 1.00 1.95 H new ATOM 0 HD3 ARG A 67 -2.169 -11.856 -7.032 1.00 1.95 H new ATOM 0 HE ARG A 67 -1.822 -9.122 -8.097 1.00 2.92 H new ATOM 0 HH11 ARG A 67 -4.043 -11.644 -7.073 1.00 4.35 H new ATOM 0 HH12 ARG A 67 -5.481 -10.788 -7.639 1.00 4.35 H new ATOM 0 HH21 ARG A 67 -3.661 -8.078 -8.993 1.00 5.04 H new ATOM 0 HH22 ARG A 67 -5.263 -8.773 -8.724 1.00 5.04 H new ATOM 998 N VAL A 68 0.775 -7.103 -5.544 1.00 0.37 N ATOM 999 CA VAL A 68 0.966 -5.838 -6.226 1.00 0.38 C ATOM 1000 C VAL A 68 2.463 -5.575 -6.443 1.00 0.42 C ATOM 1001 O VAL A 68 3.266 -5.665 -5.513 1.00 0.75 O ATOM 1002 CB VAL A 68 0.276 -4.665 -5.455 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.231 -4.880 -5.415 1.00 0.42 C ATOM 1004 CG2 VAL A 68 0.809 -4.517 -4.038 1.00 0.43 C ATOM 0 H VAL A 68 0.438 -7.015 -4.585 1.00 0.37 H new ATOM 0 HA VAL A 68 0.488 -5.896 -7.204 1.00 0.38 H new ATOM 0 HB VAL A 68 0.505 -3.745 -5.993 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.702 -4.058 -4.876 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.620 -4.917 -6.432 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.451 -5.819 -4.908 1.00 0.42 H new ATOM 0 HG21 VAL A 68 0.300 -3.690 -3.542 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.629 -5.438 -3.484 1.00 0.43 H new ATOM 0 HG23 VAL A 68 1.880 -4.316 -4.071 1.00 0.43 H new ATOM 1014 N ASP A 69 2.841 -5.349 -7.679 1.00 0.35 N ATOM 1015 CA ASP A 69 4.247 -5.143 -8.004 1.00 0.42 C ATOM 1016 C ASP A 69 4.631 -3.685 -7.876 1.00 0.33 C ATOM 1017 O ASP A 69 5.717 -3.361 -7.428 1.00 0.34 O ATOM 1018 CB ASP A 69 4.624 -5.700 -9.399 1.00 0.62 C ATOM 1019 CG ASP A 69 4.517 -7.219 -9.501 1.00 1.22 C ATOM 1020 OD1 ASP A 69 5.462 -7.928 -9.089 1.00 1.32 O ATOM 1021 OD2 ASP A 69 3.475 -7.743 -9.987 1.00 2.03 O ATOM 0 H ASP A 69 2.206 -5.302 -8.476 1.00 0.35 H new ATOM 0 HA ASP A 69 4.822 -5.712 -7.274 1.00 0.42 H new ATOM 0 HB2 ASP A 69 3.975 -5.248 -10.149 1.00 0.62 H new ATOM 0 HB3 ASP A 69 5.644 -5.399 -9.637 1.00 0.62 H new ATOM 1026 N THR A 70 3.752 -2.810 -8.253 1.00 0.30 N ATOM 1027 CA THR A 70 4.012 -1.395 -8.152 1.00 0.28 C ATOM 1028 C THR A 70 3.157 -0.767 -7.034 1.00 0.26 C ATOM 1029 O THR A 70 2.054 -1.253 -6.748 1.00 0.27 O ATOM 1030 CB THR A 70 3.708 -0.700 -9.503 1.00 0.34 C ATOM 1031 OG1 THR A 70 2.334 -0.928 -9.867 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.611 -1.253 -10.598 1.00 0.35 C ATOM 0 H THR A 70 2.838 -3.047 -8.638 1.00 0.30 H new ATOM 0 HA THR A 70 5.065 -1.254 -7.907 1.00 0.28 H new ATOM 0 HB THR A 70 3.890 0.369 -9.393 1.00 0.34 H new ATOM 0 HG1 THR A 70 2.203 -1.877 -10.073 1.00 0.44 H new ATOM 0 HG21 THR A 70 4.386 -0.755 -11.541 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.654 -1.076 -10.334 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.441 -2.324 -10.703 1.00 0.35 H new ATOM 1040 N PRO A 71 3.652 0.315 -6.360 1.00 0.26 N ATOM 1041 CA PRO A 71 2.873 1.054 -5.338 1.00 0.26 C ATOM 1042 C PRO A 71 1.590 1.613 -5.933 1.00 0.24 C ATOM 1043 O PRO A 71 0.592 1.827 -5.233 1.00 0.25 O ATOM 1044 CB PRO A 71 3.814 2.193 -4.931 1.00 0.30 C ATOM 1045 CG PRO A 71 5.171 1.687 -5.253 1.00 0.32 C ATOM 1046 CD PRO A 71 5.011 0.858 -6.492 1.00 0.29 C ATOM 0 HA PRO A 71 2.569 0.425 -4.501 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.591 3.108 -5.480 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.719 2.427 -3.871 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.866 2.510 -5.419 1.00 0.32 H new ATOM 0 HG3 PRO A 71 5.572 1.092 -4.433 1.00 0.32 H new ATOM 0 HD2 PRO A 71 5.118 1.459 -7.395 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.758 0.066 -6.546 1.00 0.29 H new ATOM 1054 N ARG A 72 1.638 1.820 -7.241 1.00 0.24 N ATOM 1055 CA ARG A 72 0.509 2.274 -8.027 1.00 0.27 C ATOM 1056 C ARG A 72 -0.646 1.269 -7.863 1.00 0.23 C ATOM 1057 O ARG A 72 -1.767 1.653 -7.564 1.00 0.27 O ATOM 1058 CB ARG A 72 0.929 2.355 -9.496 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.023 3.118 -10.398 1.00 0.53 C ATOM 1060 CD ARG A 72 0.398 3.017 -11.862 1.00 0.72 C ATOM 1061 NE ARG A 72 1.796 3.440 -12.111 1.00 0.79 N ATOM 1062 CZ ARG A 72 2.380 3.497 -13.332 1.00 1.57 C ATOM 1063 NH1 ARG A 72 1.662 3.264 -14.441 1.00 2.55 N ATOM 1064 NH2 ARG A 72 3.675 3.806 -13.442 1.00 1.67 N ATOM 0 H ARG A 72 2.483 1.673 -7.793 1.00 0.24 H new ATOM 0 HA ARG A 72 0.182 3.258 -7.692 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.911 2.824 -9.551 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.037 1.342 -9.883 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -1.033 2.725 -10.280 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -0.052 4.165 -10.097 1.00 0.53 H new ATOM 0 HD2 ARG A 72 0.275 1.987 -12.196 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -0.271 3.630 -12.466 1.00 0.72 H new ATOM 0 HE ARG A 72 2.360 3.708 -11.304 1.00 0.79 H new ATOM 0 HH11 ARG A 72 0.669 3.042 -14.368 1.00 2.55 H new ATOM 0 HH12 ARG A 72 2.109 3.309 -15.357 1.00 2.55 H new ATOM 0 HH21 ARG A 72 4.226 4.000 -12.606 1.00 1.67 H new ATOM 0 HH22 ARG A 72 4.113 3.848 -14.362 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.317 -0.024 -7.989 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.277 -1.126 -7.835 1.00 0.24 C ATOM 1080 C GLU A 73 -1.847 -1.184 -6.438 1.00 0.21 C ATOM 1081 O GLU A 73 -3.010 -1.467 -6.269 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.608 -2.459 -8.117 1.00 0.32 C ATOM 1083 CG GLU A 73 -0.305 -2.738 -9.553 1.00 0.44 C ATOM 1084 CD GLU A 73 0.699 -3.834 -9.688 1.00 1.27 C ATOM 1085 OE1 GLU A 73 0.334 -4.988 -9.444 1.00 1.49 O ATOM 1086 OE2 GLU A 73 1.844 -3.589 -10.101 1.00 2.08 O ATOM 0 H GLU A 73 0.630 -0.337 -8.202 1.00 0.21 H new ATOM 0 HA GLU A 73 -2.081 -0.939 -8.547 1.00 0.24 H new ATOM 0 HB2 GLU A 73 0.323 -2.505 -7.552 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -1.250 -3.255 -7.738 1.00 0.32 H new ATOM 0 HG2 GLU A 73 -1.222 -3.014 -10.074 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.073 -1.834 -10.030 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.017 -0.918 -5.443 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.443 -1.003 -4.044 1.00 0.21 C ATOM 1095 C LEU A 74 -2.533 0.055 -3.784 1.00 0.19 C ATOM 1096 O LEU A 74 -3.598 -0.253 -3.232 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.222 -0.806 -3.103 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.288 -1.440 -1.679 1.00 0.33 C ATOM 1099 CD1 LEU A 74 1.008 -1.202 -0.935 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -1.449 -0.913 -0.853 1.00 0.88 C ATOM 0 H LEU A 74 -0.044 -0.641 -5.571 1.00 0.19 H new ATOM 0 HA LEU A 74 -1.861 -1.989 -3.839 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.657 -1.207 -3.607 1.00 0.25 H new ATOM 0 HB3 LEU A 74 -0.060 0.265 -2.985 1.00 0.25 H new ATOM 0 HG LEU A 74 -0.446 -2.509 -1.823 1.00 0.33 H new ATOM 0 HD11 LEU A 74 0.946 -1.650 0.057 1.00 1.07 H new ATOM 0 HD12 LEU A 74 1.832 -1.654 -1.487 1.00 1.07 H new ATOM 0 HD13 LEU A 74 1.180 -0.130 -0.838 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -1.444 -1.390 0.127 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -1.350 0.166 -0.732 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -2.387 -1.136 -1.360 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.274 1.280 -4.227 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.237 2.375 -4.086 1.00 0.21 C ATOM 1114 C LEU A 75 -4.496 2.049 -4.889 1.00 0.20 C ATOM 1115 O LEU A 75 -5.624 2.205 -4.406 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.620 3.685 -4.597 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.490 4.943 -4.494 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.790 5.284 -3.048 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -2.819 6.107 -5.190 1.00 0.37 C ATOM 0 H LEU A 75 -1.404 1.544 -4.689 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.497 2.494 -3.034 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.697 3.864 -4.046 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.345 3.546 -5.643 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.438 4.740 -4.992 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.409 6.181 -3.006 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.321 4.455 -2.581 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.856 5.462 -2.515 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.449 6.992 -5.108 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -1.854 6.304 -4.722 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -2.669 5.865 -6.242 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.271 1.559 -6.098 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.324 1.176 -7.040 1.00 0.25 C ATOM 1133 C ASP A 76 -6.237 0.116 -6.430 1.00 0.23 C ATOM 1134 O ASP A 76 -7.455 0.264 -6.429 1.00 0.25 O ATOM 1135 CB ASP A 76 -4.675 0.622 -8.306 1.00 0.34 C ATOM 1136 CG ASP A 76 -5.642 0.285 -9.411 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -6.250 -0.795 -9.362 1.00 1.07 O ATOM 1138 OD2 ASP A 76 -5.872 1.125 -10.310 1.00 0.72 O ATOM 0 H ASP A 76 -3.331 1.411 -6.465 1.00 0.21 H new ATOM 0 HA ASP A 76 -5.926 2.053 -7.276 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -3.957 1.352 -8.680 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -4.112 -0.275 -8.047 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.623 -0.926 -5.891 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.311 -2.048 -5.267 1.00 0.23 C ATOM 1145 C LEU A 77 -7.214 -1.583 -4.136 1.00 0.26 C ATOM 1146 O LEU A 77 -8.404 -1.927 -4.101 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.284 -3.058 -4.733 1.00 0.23 C ATOM 1148 CG LEU A 77 -5.836 -4.306 -4.040 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.655 -5.146 -5.006 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.701 -5.121 -3.443 1.00 0.32 C ATOM 0 H LEU A 77 -4.607 -1.018 -5.874 1.00 0.21 H new ATOM 0 HA LEU A 77 -6.934 -2.525 -6.023 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.660 -3.381 -5.567 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.632 -2.540 -4.030 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.496 -3.988 -3.233 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -7.036 -6.027 -4.489 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -7.491 -4.556 -5.383 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -6.026 -5.458 -5.840 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -5.107 -6.006 -2.953 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -4.017 -5.426 -4.235 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -4.164 -4.516 -2.712 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.665 -0.796 -3.230 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.436 -0.316 -2.106 1.00 0.29 C ATOM 1164 C ILE A 78 -8.530 0.632 -2.570 1.00 0.29 C ATOM 1165 O ILE A 78 -9.682 0.451 -2.215 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.552 0.329 -1.002 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.550 -0.717 -0.483 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.424 0.850 0.146 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.707 -0.260 0.682 1.00 0.34 C ATOM 0 H ILE A 78 -5.696 -0.479 -3.252 1.00 0.26 H new ATOM 0 HA ILE A 78 -7.907 -1.185 -1.647 1.00 0.29 H new ATOM 0 HB ILE A 78 -6.007 1.174 -1.423 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -6.099 -1.611 -0.188 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -4.889 -1.004 -1.301 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -6.789 1.298 0.910 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -8.118 1.599 -0.235 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -7.986 0.023 0.580 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -4.031 -1.062 0.979 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -4.126 0.614 0.390 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.354 -0.002 1.520 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.182 1.604 -3.403 1.00 0.27 N ATOM 1182 CA ASN A 79 -9.173 2.557 -3.923 1.00 0.32 C ATOM 1183 C ASN A 79 -10.267 1.888 -4.730 1.00 0.31 C ATOM 1184 O ASN A 79 -11.408 2.362 -4.755 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.533 3.736 -4.682 1.00 0.44 C ATOM 1186 CG ASN A 79 -8.108 4.828 -3.727 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -8.728 5.006 -2.707 1.00 1.53 O ATOM 1188 ND2 ASN A 79 -7.080 5.571 -4.046 1.00 0.89 N ATOM 0 H ASN A 79 -7.230 1.759 -3.735 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.655 2.983 -3.043 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.669 3.384 -5.246 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -9.244 4.136 -5.405 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -6.783 6.324 -3.426 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -6.575 5.397 -4.915 1.00 0.89 H new ATOM 1195 N GLY A 80 -9.930 0.797 -5.386 1.00 0.32 N ATOM 1196 CA GLY A 80 -10.920 0.020 -6.093 1.00 0.39 C ATOM 1197 C GLY A 80 -11.886 -0.628 -5.124 1.00 0.42 C ATOM 1198 O GLY A 80 -13.106 -0.568 -5.310 1.00 0.47 O ATOM 0 H GLY A 80 -8.980 0.431 -5.443 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.467 0.661 -6.784 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -10.428 -0.747 -6.691 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.339 -1.189 -4.055 1.00 0.44 N ATOM 1203 CA ALA A 81 -12.122 -1.861 -3.028 1.00 0.51 C ATOM 1204 C ALA A 81 -12.983 -0.864 -2.259 1.00 0.52 C ATOM 1205 O ALA A 81 -14.123 -1.163 -1.898 1.00 0.65 O ATOM 1206 CB ALA A 81 -11.205 -2.617 -2.078 1.00 0.56 C ATOM 0 H ALA A 81 -10.335 -1.191 -3.875 1.00 0.44 H new ATOM 0 HA ALA A 81 -12.786 -2.574 -3.516 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -11.803 -3.115 -1.315 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -10.636 -3.361 -2.636 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -10.518 -1.917 -1.602 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.426 0.313 -2.020 1.00 0.46 N ATOM 1213 CA LEU A 82 -13.116 1.408 -1.336 1.00 0.54 C ATOM 1214 C LEU A 82 -14.316 1.875 -2.139 1.00 0.62 C ATOM 1215 O LEU A 82 -15.387 2.109 -1.594 1.00 0.84 O ATOM 1216 CB LEU A 82 -12.155 2.582 -1.110 1.00 0.55 C ATOM 1217 CG LEU A 82 -10.983 2.309 -0.171 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -10.037 3.488 -0.126 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -11.489 2.004 1.211 1.00 1.03 C ATOM 0 H LEU A 82 -11.471 0.543 -2.297 1.00 0.46 H new ATOM 0 HA LEU A 82 -13.465 1.039 -0.372 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -11.757 2.893 -2.076 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -12.725 3.423 -0.714 1.00 0.55 H new ATOM 0 HG LEU A 82 -10.436 1.447 -0.552 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -9.211 3.266 0.550 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -9.646 3.679 -1.125 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -10.571 4.369 0.230 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -10.645 1.811 1.873 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -12.057 2.855 1.586 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -12.132 1.125 1.177 1.00 1.03 H new ATOM 1231 N ALA A 83 -14.136 1.971 -3.443 1.00 0.53 N ATOM 1232 CA ALA A 83 -15.188 2.411 -4.346 1.00 0.66 C ATOM 1233 C ALA A 83 -16.332 1.399 -4.407 1.00 0.86 C ATOM 1234 O ALA A 83 -17.483 1.759 -4.657 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.617 2.653 -5.724 1.00 0.64 C ATOM 0 H ALA A 83 -13.257 1.746 -3.908 1.00 0.53 H new ATOM 0 HA ALA A 83 -15.598 3.345 -3.962 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.411 2.982 -6.394 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -13.847 3.422 -5.669 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.181 1.729 -6.104 1.00 0.64 H new ATOM 1241 N GLU A 84 -16.009 0.145 -4.164 1.00 0.92 N ATOM 1242 CA GLU A 84 -16.995 -0.926 -4.166 1.00 1.18 C ATOM 1243 C GLU A 84 -17.677 -1.057 -2.801 1.00 1.28 C ATOM 1244 O GLU A 84 -18.621 -1.848 -2.633 1.00 1.63 O ATOM 1245 CB GLU A 84 -16.341 -2.247 -4.567 1.00 1.30 C ATOM 1246 CG GLU A 84 -15.938 -2.319 -6.030 1.00 1.61 C ATOM 1247 CD GLU A 84 -17.137 -2.299 -6.952 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -17.740 -3.374 -7.185 1.00 2.42 O ATOM 1249 OE2 GLU A 84 -17.514 -1.220 -7.454 1.00 2.66 O ATOM 0 H GLU A 84 -15.059 -0.164 -3.960 1.00 0.92 H new ATOM 0 HA GLU A 84 -17.763 -0.676 -4.899 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -15.457 -2.405 -3.949 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -17.031 -3.062 -4.350 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -15.285 -1.479 -6.267 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -15.363 -3.229 -6.203 1.00 1.61 H new ATOM 1256 N ALA A 85 -17.220 -0.282 -1.848 1.00 1.13 N ATOM 1257 CA ALA A 85 -17.755 -0.314 -0.513 1.00 1.33 C ATOM 1258 C ALA A 85 -18.769 0.810 -0.327 1.00 1.71 C ATOM 1259 O ALA A 85 -19.041 1.591 -1.259 1.00 2.30 O ATOM 1260 CB ALA A 85 -16.630 -0.209 0.512 1.00 1.30 C ATOM 0 H ALA A 85 -16.464 0.390 -1.979 1.00 1.13 H new ATOM 0 HA ALA A 85 -18.265 -1.265 -0.359 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -17.050 -0.235 1.517 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -15.943 -1.045 0.385 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -16.092 0.728 0.367 1.00 1.30 H new ATOM 1266 N ALA A 86 -19.332 0.879 0.838 1.00 2.12 N ATOM 1267 CA ALA A 86 -20.301 1.878 1.179 1.00 2.78 C ATOM 1268 C ALA A 86 -19.833 2.573 2.427 1.00 3.16 C ATOM 1269 O ALA A 86 -19.445 3.741 2.356 1.00 3.59 O ATOM 1270 CB ALA A 86 -21.672 1.249 1.392 1.00 3.57 C ATOM 1271 OXT ALA A 86 -19.765 1.912 3.482 1.00 3.56 O ATOM 0 H ALA A 86 -19.128 0.229 1.597 1.00 2.12 H new ATOM 0 HA ALA A 86 -20.398 2.597 0.366 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -22.392 2.025 1.650 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -21.989 0.749 0.477 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -21.617 0.522 2.202 1.00 3.57 H new TER 1277 ALA A 86 HETATM 1278 P24 SXD A 87 5.778 -12.166 0.325 1.00 0.90 P HETATM 1279 O26 SXD A 87 6.316 -11.323 1.519 1.00 1.54 O HETATM 1280 O23 SXD A 87 6.787 -13.044 -0.428 1.00 1.52 O HETATM 1281 O27 SXD A 87 4.696 -13.167 0.843 1.00 1.03 O HETATM 1282 C28 SXD A 87 3.605 -12.724 1.721 1.00 0.94 C HETATM 1283 C29 SXD A 87 2.743 -13.914 2.171 1.00 1.31 C HETATM 1284 C30 SXD A 87 1.759 -13.376 3.199 1.00 1.48 C HETATM 1285 C31 SXD A 87 1.973 -14.478 0.964 1.00 1.80 C HETATM 1286 C32 SXD A 87 3.671 -15.053 2.817 1.00 2.11 C HETATM 1287 O33 SXD A 87 4.418 -15.708 1.777 1.00 2.59 O HETATM 1288 C34 SXD A 87 2.830 -16.143 3.490 1.00 2.68 C HETATM 1289 O35 SXD A 87 2.291 -17.034 2.819 1.00 3.26 O HETATM 1290 N36 SXD A 87 2.759 -16.091 4.800 1.00 2.90 N HETATM 1291 C37 SXD A 87 2.028 -17.048 5.635 1.00 3.68 C HETATM 1292 C38 SXD A 87 2.782 -17.427 6.912 1.00 4.14 C HETATM 1293 C39 SXD A 87 2.932 -16.293 7.930 1.00 4.26 C HETATM 1294 O40 SXD A 87 3.812 -16.329 8.799 1.00 4.93 O HETATM 1295 N41 SXD A 87 2.077 -15.291 7.809 1.00 4.07 N HETATM 1296 C42 SXD A 87 2.049 -14.116 8.657 1.00 4.66 C HETATM 1297 C43 SXD A 87 0.640 -13.622 8.824 1.00 4.86 C HETATM 1298 S1 SXD A 87 -0.345 -13.945 7.355 1.00 5.53 S HETATM 1299 C1 SXD A 87 -1.926 -13.244 7.863 1.00 6.36 C HETATM 1300 C2 SXD A 87 -3.053 -13.542 6.898 1.00 6.96 C HETATM 1301 C3 SXD A 87 -3.374 -15.024 6.818 1.00 7.66 C HETATM 1302 O3 SXD A 87 -3.694 -15.668 7.850 1.00 8.05 O HETATM 1303 C4 SXD A 87 -3.293 -15.697 5.457 1.00 8.24 C HETATM 1304 C5 SXD A 87 -2.199 -16.745 5.311 1.00 8.87 C HETATM 1305 O5 SXD A 87 -1.225 -16.566 4.549 1.00 9.15 O HETATM 1306 C6 SXD A 87 -2.329 -18.032 6.096 1.00 9.45 C HETATM 0 HO33 SXD A 87 4.742 -15.040 1.137 1.00 2.59 H new HETATM 0 HN41 SXD A 87 1.385 -15.350 7.062 1.00 4.07 H new HETATM 0 HN36 SXD A 87 3.248 -15.329 5.270 1.00 2.90 H new HETATM 0 H43A SXD A 87 0.182 -14.108 9.685 1.00 4.86 H new HETATM 0 H42A SXD A 87 2.476 -14.353 9.632 1.00 4.66 H new HETATM 0 H38A SXD A 87 2.264 -18.259 7.390 1.00 4.14 H new HETATM 0 H37A SXD A 87 1.061 -16.623 5.904 1.00 3.68 H new HETATM 0 H31B SXD A 87 1.331 -13.702 0.548 1.00 1.80 H new HETATM 0 H31A SXD A 87 2.680 -14.810 0.204 1.00 1.80 H new HETATM 0 H30B SXD A 87 2.307 -12.954 4.041 1.00 1.48 H new HETATM 0 H30A SXD A 87 1.143 -12.602 2.742 1.00 1.48 H new HETATM 0 H28A SXD A 87 4.018 -12.219 2.594 1.00 0.94 H new HETATM 0 H6B SXD A 87 -2.360 -17.806 7.162 1.00 9.45 H new HETATM 0 H6A SXD A 87 -3.247 -18.544 5.807 1.00 9.45 H new HETATM 0 H6 SXD A 87 -1.474 -18.674 5.886 1.00 9.45 H new HETATM 0 H4A SXD A 87 -4.253 -16.167 5.245 1.00 8.24 H new HETATM 0 H43 SXD A 87 0.650 -12.552 9.030 1.00 4.86 H new HETATM 0 H42 SXD A 87 2.667 -13.331 8.221 1.00 4.66 H new HETATM 0 H4 SXD A 87 -3.140 -14.929 4.699 1.00 8.24 H new HETATM 0 H38 SXD A 87 3.775 -17.784 6.638 1.00 4.14 H new HETATM 0 H37 SXD A 87 1.830 -17.950 5.056 1.00 3.68 H new HETATM 0 H32 SXD A 87 4.318 -14.567 3.547 1.00 2.11 H new HETATM 0 H31 SXD A 87 1.362 -15.322 1.284 1.00 1.80 H new HETATM 0 H30 SXD A 87 1.121 -14.187 3.551 1.00 1.48 H new HETATM 0 H2A SXD A 87 -3.945 -12.997 7.207 1.00 6.96 H new HETATM 0 H28 SXD A 87 2.984 -11.998 1.197 1.00 0.94 H new HETATM 0 H2 SXD A 87 -2.784 -13.178 5.907 1.00 6.96 H new HETATM 0 H1A SXD A 87 -2.188 -13.633 8.847 1.00 6.36 H new HETATM 0 H1 SXD A 87 -1.820 -12.164 7.964 1.00 6.36 H new