USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 hydrogens (31 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 -142:sc= -0.225 (180deg=-0.805) USER MOD Single : A 1 MET N :NH3+ -173:sc=-0.00545 (180deg=-0.0884) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -60:sc= 1.13 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 81:sc= 0.167 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00816 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -136:sc= 0.145 USER MOD Single : A 46 MET CE :methyl 154:sc= -0.592 (180deg=-2.03!) USER MOD Single : A 48 THR OG1 : rot 74:sc= 1.05 USER MOD Single : A 54 SER OG : rot -83:sc= 1.24 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.235 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 79 ASN : amide:sc= 1.19 K(o=1.2,f=-8.4!) USER MOD Single : A 87 SXH O33 : rot 41:sc= 0.52 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.884 -13.270 2.882 1.00 5.89 N ATOM 2 CA MET A 1 18.431 -12.120 3.602 1.00 5.39 C ATOM 3 C MET A 1 17.343 -11.083 3.748 1.00 4.66 C ATOM 4 O MET A 1 16.757 -10.929 4.813 1.00 4.91 O ATOM 5 CB MET A 1 19.624 -11.495 2.860 1.00 5.72 C ATOM 6 CG MET A 1 20.786 -12.429 2.621 1.00 6.12 C ATOM 7 SD MET A 1 22.135 -11.648 1.713 1.00 6.79 S ATOM 8 CE MET A 1 21.298 -11.168 0.195 1.00 7.46 C ATOM 0 H1 MET A 1 18.583 -14.040 2.876 1.00 5.89 H new ATOM 0 H2 MET A 1 17.015 -13.594 3.354 1.00 5.89 H new ATOM 0 H3 MET A 1 17.665 -12.995 1.903 1.00 5.89 H new ATOM 0 HA MET A 1 18.784 -12.460 4.575 1.00 5.39 H new ATOM 0 HB2 MET A 1 19.277 -11.117 1.898 1.00 5.72 H new ATOM 0 HB3 MET A 1 19.978 -10.637 3.431 1.00 5.72 H new ATOM 0 HG2 MET A 1 21.160 -12.789 3.579 1.00 6.12 H new ATOM 0 HG3 MET A 1 20.438 -13.301 2.067 1.00 6.12 H new ATOM 0 HE1 MET A 1 21.968 -11.314 -0.652 1.00 7.46 H new ATOM 0 HE2 MET A 1 20.406 -11.781 0.062 1.00 7.46 H new ATOM 0 HE3 MET A 1 21.011 -10.118 0.254 1.00 7.46 H new ATOM 20 N ALA A 2 17.031 -10.416 2.654 1.00 4.17 N ATOM 21 CA ALA A 2 16.024 -9.393 2.655 1.00 3.77 C ATOM 22 C ALA A 2 14.732 -9.984 2.176 1.00 2.58 C ATOM 23 O ALA A 2 14.691 -10.631 1.120 1.00 2.61 O ATOM 24 CB ALA A 2 16.439 -8.229 1.766 1.00 4.69 C ATOM 0 H ALA A 2 17.471 -10.573 1.747 1.00 4.17 H new ATOM 0 HA ALA A 2 15.898 -9.010 3.668 1.00 3.77 H new ATOM 0 HB1 ALA A 2 15.662 -7.465 1.781 1.00 4.69 H new ATOM 0 HB2 ALA A 2 17.373 -7.804 2.135 1.00 4.69 H new ATOM 0 HB3 ALA A 2 16.580 -8.583 0.745 1.00 4.69 H new ATOM 30 N THR A 3 13.707 -9.786 2.930 1.00 2.17 N ATOM 31 CA THR A 3 12.424 -10.312 2.618 1.00 1.65 C ATOM 32 C THR A 3 11.686 -9.317 1.748 1.00 1.51 C ATOM 33 O THR A 3 11.302 -8.236 2.219 1.00 2.34 O ATOM 34 CB THR A 3 11.656 -10.515 3.920 1.00 2.61 C ATOM 35 OG1 THR A 3 12.467 -11.290 4.829 1.00 3.14 O ATOM 36 CG2 THR A 3 10.337 -11.233 3.683 1.00 3.14 C ATOM 0 H THR A 3 13.737 -9.245 3.794 1.00 2.17 H new ATOM 0 HA THR A 3 12.518 -11.261 2.089 1.00 1.65 H new ATOM 0 HB THR A 3 11.435 -9.536 4.345 1.00 2.61 H new ATOM 0 HG1 THR A 3 11.980 -11.423 5.669 1.00 3.14 H new ATOM 0 HG21 THR A 3 9.817 -11.361 4.632 1.00 3.14 H new ATOM 0 HG22 THR A 3 9.718 -10.644 3.006 1.00 3.14 H new ATOM 0 HG23 THR A 3 10.529 -12.210 3.240 1.00 3.14 H new ATOM 44 N LEU A 4 11.574 -9.632 0.476 1.00 1.02 N ATOM 45 CA LEU A 4 10.839 -8.803 -0.433 1.00 0.89 C ATOM 46 C LEU A 4 9.357 -8.988 -0.184 1.00 0.82 C ATOM 47 O LEU A 4 8.909 -10.077 0.212 1.00 1.00 O ATOM 48 CB LEU A 4 11.201 -9.114 -1.890 1.00 0.93 C ATOM 49 CG LEU A 4 12.663 -8.861 -2.284 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.896 -9.231 -3.739 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.045 -7.404 -2.041 1.00 1.09 C ATOM 0 H LEU A 4 11.988 -10.463 0.053 1.00 1.02 H new ATOM 0 HA LEU A 4 11.104 -7.760 -0.258 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.967 -10.160 -2.087 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.561 -8.516 -2.539 1.00 0.93 H new ATOM 0 HG LEU A 4 13.296 -9.491 -1.659 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.938 -9.045 -3.999 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.668 -10.287 -3.887 1.00 1.31 H new ATOM 0 HD13 LEU A 4 12.249 -8.628 -4.376 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.085 -7.248 -2.327 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.403 -6.755 -2.637 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.920 -7.166 -0.985 1.00 1.09 H new ATOM 63 N LEU A 5 8.616 -7.952 -0.405 1.00 0.69 N ATOM 64 CA LEU A 5 7.217 -7.930 -0.125 1.00 0.62 C ATOM 65 C LEU A 5 6.472 -8.505 -1.330 1.00 0.51 C ATOM 66 O LEU A 5 6.691 -8.079 -2.480 1.00 0.50 O ATOM 67 CB LEU A 5 6.812 -6.459 0.200 1.00 0.64 C ATOM 68 CG LEU A 5 5.407 -6.191 0.787 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.365 -4.825 1.438 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.354 -6.231 -0.287 1.00 1.01 C ATOM 0 H LEU A 5 8.973 -7.079 -0.793 1.00 0.69 H new ATOM 0 HA LEU A 5 6.957 -8.543 0.738 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.545 -6.061 0.901 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.903 -5.880 -0.719 1.00 0.64 H new ATOM 0 HG LEU A 5 5.206 -6.970 1.523 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.371 -4.648 1.848 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.101 -4.782 2.241 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.593 -4.061 0.695 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.376 -6.039 0.155 1.00 1.01 H new ATOM 0 HD22 LEU A 5 4.569 -5.469 -1.036 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.353 -7.214 -0.759 1.00 1.01 H new ATOM 82 N THR A 6 5.656 -9.499 -1.084 1.00 0.53 N ATOM 83 CA THR A 6 4.880 -10.112 -2.127 1.00 0.54 C ATOM 84 C THR A 6 3.413 -9.706 -1.979 1.00 0.47 C ATOM 85 O THR A 6 3.072 -8.988 -1.040 1.00 0.45 O ATOM 86 CB THR A 6 5.024 -11.655 -2.110 1.00 0.74 C ATOM 87 OG1 THR A 6 4.608 -12.181 -0.832 1.00 0.84 O ATOM 88 CG2 THR A 6 6.466 -12.074 -2.372 1.00 1.01 C ATOM 0 H THR A 6 5.513 -9.903 -0.158 1.00 0.53 H new ATOM 0 HA THR A 6 5.256 -9.762 -3.088 1.00 0.54 H new ATOM 0 HB THR A 6 4.389 -12.056 -2.900 1.00 0.74 H new ATOM 0 HG1 THR A 6 5.169 -11.802 -0.124 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.538 -13.161 -2.354 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.780 -11.705 -3.348 1.00 1.01 H new ATOM 0 HG23 THR A 6 7.112 -11.655 -1.601 1.00 1.01 H new ATOM 96 N THR A 7 2.551 -10.175 -2.861 1.00 0.53 N ATOM 97 CA THR A 7 1.128 -9.873 -2.792 1.00 0.55 C ATOM 98 C THR A 7 0.514 -10.328 -1.440 1.00 0.49 C ATOM 99 O THR A 7 -0.390 -9.682 -0.915 1.00 0.47 O ATOM 100 CB THR A 7 0.357 -10.479 -3.991 1.00 0.73 C ATOM 101 OG1 THR A 7 1.015 -10.088 -5.211 1.00 0.83 O ATOM 102 CG2 THR A 7 -1.072 -9.951 -4.029 1.00 0.95 C ATOM 0 H THR A 7 2.813 -10.774 -3.644 1.00 0.53 H new ATOM 0 HA THR A 7 1.026 -8.789 -2.852 1.00 0.55 H new ATOM 0 HB THR A 7 0.339 -11.564 -3.886 1.00 0.73 H new ATOM 0 HG1 THR A 7 0.536 -10.468 -5.977 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.599 -10.387 -4.878 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.585 -10.222 -3.106 1.00 0.95 H new ATOM 0 HG23 THR A 7 -1.056 -8.866 -4.131 1.00 0.95 H new ATOM 110 N ASP A 8 1.048 -11.416 -0.878 1.00 0.57 N ATOM 111 CA ASP A 8 0.605 -11.926 0.435 1.00 0.61 C ATOM 112 C ASP A 8 0.832 -10.877 1.506 1.00 0.54 C ATOM 113 O ASP A 8 -0.075 -10.551 2.292 1.00 0.53 O ATOM 114 CB ASP A 8 1.351 -13.221 0.855 1.00 0.81 C ATOM 115 CG ASP A 8 1.061 -14.444 0.007 1.00 1.41 C ATOM 116 OD1 ASP A 8 -0.036 -15.046 0.142 1.00 1.86 O ATOM 117 OD2 ASP A 8 1.898 -14.805 -0.850 1.00 2.14 O ATOM 0 H ASP A 8 1.791 -11.967 -1.309 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.455 -12.157 0.335 1.00 0.61 H new ATOM 0 HB2 ASP A 8 2.423 -13.027 0.828 1.00 0.81 H new ATOM 0 HB3 ASP A 8 1.094 -13.448 1.890 1.00 0.81 H new ATOM 122 N ASP A 9 2.039 -10.332 1.510 1.00 0.55 N ATOM 123 CA ASP A 9 2.453 -9.308 2.472 1.00 0.57 C ATOM 124 C ASP A 9 1.667 -8.042 2.215 1.00 0.50 C ATOM 125 O ASP A 9 1.250 -7.344 3.143 1.00 0.57 O ATOM 126 CB ASP A 9 3.952 -8.973 2.314 1.00 0.65 C ATOM 127 CG ASP A 9 4.879 -10.165 2.361 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.133 -10.796 1.313 1.00 1.61 O ATOM 129 OD2 ASP A 9 5.356 -10.501 3.466 1.00 1.61 O ATOM 0 H ASP A 9 2.768 -10.586 0.843 1.00 0.55 H new ATOM 0 HA ASP A 9 2.271 -9.692 3.476 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.096 -8.457 1.365 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.239 -8.277 3.102 1.00 0.65 H new ATOM 134 N LEU A 10 1.438 -7.786 0.941 1.00 0.43 N ATOM 135 CA LEU A 10 0.761 -6.599 0.470 1.00 0.43 C ATOM 136 C LEU A 10 -0.690 -6.595 0.944 1.00 0.41 C ATOM 137 O LEU A 10 -1.132 -5.616 1.531 1.00 0.47 O ATOM 138 CB LEU A 10 0.842 -6.542 -1.062 1.00 0.46 C ATOM 139 CG LEU A 10 0.435 -5.235 -1.735 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.366 -4.105 -1.321 1.00 0.88 C ATOM 141 CD2 LEU A 10 0.452 -5.402 -3.239 1.00 0.79 C ATOM 0 H LEU A 10 1.725 -8.414 0.190 1.00 0.43 H new ATOM 0 HA LEU A 10 1.247 -5.714 0.880 1.00 0.43 H new ATOM 0 HB2 LEU A 10 1.868 -6.767 -1.354 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.214 -7.338 -1.463 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.576 -4.980 -1.416 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.058 -3.182 -1.812 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.320 -3.974 -0.240 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.387 -4.349 -1.614 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.160 -4.465 -3.712 1.00 0.79 H new ATOM 0 HD22 LEU A 10 1.456 -5.675 -3.563 1.00 0.79 H new ATOM 0 HD23 LEU A 10 -0.248 -6.187 -3.526 1.00 0.79 H new ATOM 153 N ARG A 11 -1.421 -7.704 0.707 1.00 0.39 N ATOM 154 CA ARG A 11 -2.820 -7.831 1.168 1.00 0.44 C ATOM 155 C ARG A 11 -2.931 -7.496 2.641 1.00 0.44 C ATOM 156 O ARG A 11 -3.751 -6.676 3.034 1.00 0.48 O ATOM 157 CB ARG A 11 -3.399 -9.242 0.952 1.00 0.52 C ATOM 158 CG ARG A 11 -3.543 -9.690 -0.488 1.00 0.70 C ATOM 159 CD ARG A 11 -4.239 -11.043 -0.584 1.00 0.85 C ATOM 160 NE ARG A 11 -3.616 -12.058 0.274 1.00 1.22 N ATOM 161 CZ ARG A 11 -2.774 -13.014 -0.119 1.00 1.67 C ATOM 162 NH1 ARG A 11 -2.471 -13.182 -1.403 1.00 2.17 N ATOM 163 NH2 ARG A 11 -2.280 -13.838 0.781 1.00 2.23 N ATOM 0 H ARG A 11 -1.070 -8.518 0.203 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.395 -7.127 0.566 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.762 -9.958 1.472 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -4.380 -9.286 1.425 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.112 -8.946 -1.047 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -2.558 -9.752 -0.951 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -5.287 -10.930 -0.305 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -4.220 -11.385 -1.619 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.850 -12.029 1.266 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -2.885 -12.573 -2.109 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -1.824 -13.920 -1.682 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -2.543 -13.739 1.762 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -1.634 -14.575 0.498 1.00 2.23 H new ATOM 177 N ARG A 12 -2.055 -8.107 3.434 1.00 0.47 N ATOM 178 CA ARG A 12 -2.034 -7.976 4.839 1.00 0.54 C ATOM 179 C ARG A 12 -1.817 -6.528 5.287 1.00 0.54 C ATOM 180 O ARG A 12 -2.595 -6.001 6.079 1.00 0.62 O ATOM 181 CB ARG A 12 -0.981 -8.921 5.385 1.00 0.64 C ATOM 182 CG ARG A 12 -0.559 -8.614 6.767 1.00 1.04 C ATOM 183 CD ARG A 12 0.427 -9.635 7.292 1.00 1.27 C ATOM 184 NE ARG A 12 1.673 -9.673 6.509 1.00 1.78 N ATOM 185 CZ ARG A 12 2.160 -10.776 5.917 1.00 2.34 C ATOM 186 NH1 ARG A 12 1.465 -11.891 5.917 1.00 2.59 N ATOM 187 NH2 ARG A 12 3.335 -10.761 5.320 1.00 3.25 N ATOM 0 H ARG A 12 -1.325 -8.723 3.076 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.008 -8.248 5.246 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -1.369 -9.939 5.352 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.107 -8.891 4.734 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -0.107 -7.623 6.798 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -1.434 -8.586 7.417 1.00 1.04 H new ATOM 0 HD2 ARG A 12 0.662 -9.406 8.331 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -0.036 -10.622 7.279 1.00 1.27 H new ATOM 0 HE ARG A 12 2.201 -8.806 6.410 1.00 1.78 H new ATOM 0 HH11 ARG A 12 0.551 -11.922 6.368 1.00 2.59 H new ATOM 0 HH12 ARG A 12 1.840 -12.726 5.466 1.00 2.59 H new ATOM 0 HH21 ARG A 12 3.888 -9.904 5.303 1.00 3.25 H new ATOM 0 HH22 ARG A 12 3.692 -11.607 4.875 1.00 3.25 H new ATOM 201 N ALA A 13 -0.793 -5.891 4.748 1.00 0.52 N ATOM 202 CA ALA A 13 -0.446 -4.530 5.135 1.00 0.59 C ATOM 203 C ALA A 13 -1.547 -3.546 4.757 1.00 0.59 C ATOM 204 O ALA A 13 -1.916 -2.661 5.551 1.00 0.69 O ATOM 205 CB ALA A 13 0.866 -4.131 4.500 1.00 0.66 C ATOM 0 H ALA A 13 -0.183 -6.295 4.037 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.339 -4.501 6.219 1.00 0.59 H new ATOM 0 HB1 ALA A 13 1.118 -3.112 4.795 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.652 -4.809 4.832 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.776 -4.183 3.415 1.00 0.66 H new ATOM 211 N LEU A 14 -2.075 -3.707 3.563 1.00 0.52 N ATOM 212 CA LEU A 14 -3.138 -2.875 3.067 1.00 0.55 C ATOM 213 C LEU A 14 -4.416 -3.062 3.889 1.00 0.58 C ATOM 214 O LEU A 14 -5.009 -2.079 4.345 1.00 0.68 O ATOM 215 CB LEU A 14 -3.375 -3.177 1.580 1.00 0.52 C ATOM 216 CG LEU A 14 -2.414 -2.536 0.537 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.788 -1.097 0.261 1.00 1.30 C ATOM 218 CD2 LEU A 14 -0.949 -2.584 0.964 1.00 1.05 C ATOM 0 H LEU A 14 -1.772 -4.427 2.907 1.00 0.52 H new ATOM 0 HA LEU A 14 -2.847 -1.829 3.168 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.335 -4.258 1.449 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.390 -2.864 1.334 1.00 0.52 H new ATOM 0 HG LEU A 14 -2.526 -3.135 -0.367 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.099 -0.676 -0.471 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.804 -1.054 -0.130 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -2.731 -0.522 1.185 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -0.330 -2.122 0.195 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -0.826 -2.043 1.902 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -0.644 -3.621 1.100 1.00 1.05 H new ATOM 230 N VAL A 15 -4.798 -4.318 4.140 1.00 0.57 N ATOM 231 CA VAL A 15 -6.032 -4.616 4.881 1.00 0.66 C ATOM 232 C VAL A 15 -5.949 -4.182 6.366 1.00 0.72 C ATOM 233 O VAL A 15 -6.952 -4.078 7.057 1.00 0.91 O ATOM 234 CB VAL A 15 -6.516 -6.099 4.724 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.692 -7.077 5.540 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.003 -6.248 5.004 1.00 1.01 C ATOM 0 H VAL A 15 -4.275 -5.142 3.844 1.00 0.57 H new ATOM 0 HA VAL A 15 -6.804 -4.005 4.413 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.355 -6.358 3.677 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.074 -8.087 5.391 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.651 -7.032 5.220 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.758 -6.816 6.596 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.293 -7.292 4.883 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.215 -5.928 6.024 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.568 -5.631 4.306 1.00 1.01 H new ATOM 246 N GLU A 16 -4.744 -3.933 6.847 1.00 0.66 N ATOM 247 CA GLU A 16 -4.566 -3.398 8.191 1.00 0.79 C ATOM 248 C GLU A 16 -4.866 -1.912 8.195 1.00 0.83 C ATOM 249 O GLU A 16 -5.481 -1.386 9.120 1.00 0.98 O ATOM 250 CB GLU A 16 -3.142 -3.602 8.680 1.00 0.94 C ATOM 251 CG GLU A 16 -2.767 -5.026 8.989 1.00 1.08 C ATOM 252 CD GLU A 16 -1.343 -5.132 9.443 1.00 1.28 C ATOM 253 OE1 GLU A 16 -0.978 -4.550 10.472 1.00 1.49 O ATOM 254 OE2 GLU A 16 -0.544 -5.835 8.780 1.00 1.71 O ATOM 0 H GLU A 16 -3.877 -4.090 6.333 1.00 0.66 H new ATOM 0 HA GLU A 16 -5.250 -3.929 8.853 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -2.457 -3.219 7.924 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -2.994 -3.001 9.577 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -3.427 -5.417 9.763 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -2.914 -5.643 8.103 1.00 1.08 H new ATOM 261 N SER A 17 -4.461 -1.264 7.135 1.00 0.77 N ATOM 262 CA SER A 17 -4.567 0.169 6.991 1.00 0.91 C ATOM 263 C SER A 17 -5.980 0.576 6.513 1.00 0.95 C ATOM 264 O SER A 17 -6.347 1.761 6.507 1.00 1.24 O ATOM 265 CB SER A 17 -3.496 0.608 6.013 1.00 0.98 C ATOM 266 OG SER A 17 -2.229 0.043 6.390 1.00 1.24 O ATOM 0 H SER A 17 -4.039 -1.725 6.329 1.00 0.77 H new ATOM 0 HA SER A 17 -4.417 0.663 7.951 1.00 0.91 H new ATOM 0 HB2 SER A 17 -3.760 0.291 5.004 1.00 0.98 H new ATOM 0 HB3 SER A 17 -3.429 1.696 5.998 1.00 0.98 H new ATOM 0 HG SER A 17 -2.179 -0.885 6.078 1.00 1.24 H new ATOM 272 N ALA A 18 -6.751 -0.417 6.136 1.00 0.83 N ATOM 273 CA ALA A 18 -8.120 -0.269 5.714 1.00 0.94 C ATOM 274 C ALA A 18 -8.766 -1.603 5.874 1.00 1.41 C ATOM 275 O ALA A 18 -8.681 -2.465 4.999 1.00 2.05 O ATOM 276 CB ALA A 18 -8.222 0.185 4.269 1.00 1.05 C ATOM 0 H ALA A 18 -6.428 -1.384 6.115 1.00 0.83 H new ATOM 0 HA ALA A 18 -8.612 0.494 6.317 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.272 0.284 3.992 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -7.724 1.148 4.154 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -7.744 -0.550 3.622 1.00 1.05 H new ATOM 282 N GLY A 19 -9.347 -1.804 7.012 1.00 1.80 N ATOM 283 CA GLY A 19 -9.871 -3.083 7.330 1.00 2.47 C ATOM 284 C GLY A 19 -11.253 -3.301 6.839 1.00 2.48 C ATOM 285 O GLY A 19 -12.207 -3.234 7.613 1.00 3.01 O ATOM 0 H GLY A 19 -9.469 -1.095 7.735 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -9.220 -3.848 6.907 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -9.855 -3.214 8.412 1.00 2.47 H new ATOM 289 N GLU A 20 -11.374 -3.539 5.552 1.00 2.56 N ATOM 290 CA GLU A 20 -12.643 -3.867 4.950 1.00 2.99 C ATOM 291 C GLU A 20 -13.115 -5.196 5.483 1.00 3.37 C ATOM 292 O GLU A 20 -12.563 -6.239 5.127 1.00 3.90 O ATOM 293 CB GLU A 20 -12.543 -3.877 3.421 1.00 3.57 C ATOM 294 CG GLU A 20 -12.284 -2.502 2.834 1.00 4.14 C ATOM 295 CD GLU A 20 -13.394 -1.536 3.177 1.00 4.54 C ATOM 296 OE1 GLU A 20 -13.369 -0.933 4.272 1.00 4.96 O ATOM 297 OE2 GLU A 20 -14.340 -1.384 2.370 1.00 4.80 O ATOM 0 H GLU A 20 -10.594 -3.510 4.895 1.00 2.56 H new ATOM 0 HA GLU A 20 -13.374 -3.103 5.213 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -11.742 -4.551 3.119 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -13.468 -4.275 3.005 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -11.336 -2.117 3.210 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -12.189 -2.579 1.751 1.00 4.14 H new ATOM 304 N THR A 21 -14.087 -5.131 6.375 1.00 3.68 N ATOM 305 CA THR A 21 -14.633 -6.263 7.105 1.00 4.48 C ATOM 306 C THR A 21 -15.166 -7.361 6.163 1.00 4.44 C ATOM 307 O THR A 21 -16.312 -7.311 5.711 1.00 4.98 O ATOM 308 CB THR A 21 -15.747 -5.749 8.027 1.00 5.48 C ATOM 309 OG1 THR A 21 -15.243 -4.602 8.739 1.00 5.80 O ATOM 310 CG2 THR A 21 -16.154 -6.817 9.037 1.00 6.23 C ATOM 0 H THR A 21 -14.538 -4.250 6.622 1.00 3.68 H new ATOM 0 HA THR A 21 -13.837 -6.722 7.691 1.00 4.48 H new ATOM 0 HB THR A 21 -16.620 -5.491 7.427 1.00 5.48 H new ATOM 0 HG1 THR A 21 -15.940 -4.255 9.334 1.00 5.80 H new ATOM 0 HG21 THR A 21 -16.945 -6.428 9.679 1.00 6.23 H new ATOM 0 HG22 THR A 21 -16.516 -7.699 8.508 1.00 6.23 H new ATOM 0 HG23 THR A 21 -15.292 -7.088 9.647 1.00 6.23 H new ATOM 318 N ASP A 22 -14.255 -8.274 5.796 1.00 4.14 N ATOM 319 CA ASP A 22 -14.491 -9.430 4.899 1.00 4.35 C ATOM 320 C ASP A 22 -14.839 -8.944 3.484 1.00 4.02 C ATOM 321 O ASP A 22 -15.313 -9.687 2.620 1.00 4.29 O ATOM 322 CB ASP A 22 -15.560 -10.384 5.471 1.00 4.92 C ATOM 323 CG ASP A 22 -15.562 -11.744 4.792 1.00 5.42 C ATOM 324 OD1 ASP A 22 -14.585 -12.525 4.992 1.00 5.76 O ATOM 325 OD2 ASP A 22 -16.520 -12.072 4.073 1.00 5.81 O ATOM 0 H ASP A 22 -13.291 -8.231 6.126 1.00 4.14 H new ATOM 0 HA ASP A 22 -13.570 -10.009 4.833 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -15.387 -10.517 6.539 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -16.544 -9.927 5.362 1.00 4.92 H new ATOM 330 N GLY A 23 -14.505 -7.698 3.240 1.00 3.87 N ATOM 331 CA GLY A 23 -14.790 -7.075 2.000 1.00 3.86 C ATOM 332 C GLY A 23 -13.789 -7.490 0.996 1.00 3.70 C ATOM 333 O GLY A 23 -12.615 -7.087 1.061 1.00 4.24 O ATOM 0 H GLY A 23 -14.025 -7.097 3.911 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -15.791 -7.349 1.665 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -14.777 -5.991 2.115 1.00 3.86 H new ATOM 337 N THR A 24 -14.223 -8.248 0.042 1.00 3.36 N ATOM 338 CA THR A 24 -13.343 -8.823 -0.930 1.00 3.53 C ATOM 339 C THR A 24 -13.019 -7.802 -2.064 1.00 2.73 C ATOM 340 O THR A 24 -12.850 -8.149 -3.231 1.00 3.11 O ATOM 341 CB THR A 24 -13.971 -10.116 -1.484 1.00 4.59 C ATOM 342 OG1 THR A 24 -14.632 -10.812 -0.397 1.00 5.10 O ATOM 343 CG2 THR A 24 -12.889 -11.025 -2.007 1.00 5.14 C ATOM 0 H THR A 24 -15.206 -8.489 -0.088 1.00 3.36 H new ATOM 0 HA THR A 24 -12.395 -9.075 -0.455 1.00 3.53 H new ATOM 0 HB THR A 24 -14.671 -9.861 -2.280 1.00 4.59 H new ATOM 0 HG1 THR A 24 -15.038 -11.637 -0.736 1.00 5.10 H new ATOM 0 HG21 THR A 24 -13.338 -11.938 -2.398 1.00 5.14 H new ATOM 0 HG22 THR A 24 -12.343 -10.520 -2.804 1.00 5.14 H new ATOM 0 HG23 THR A 24 -12.202 -11.276 -1.199 1.00 5.14 H new ATOM 351 N ASP A 25 -12.877 -6.551 -1.672 1.00 2.22 N ATOM 352 CA ASP A 25 -12.491 -5.479 -2.580 1.00 2.06 C ATOM 353 C ASP A 25 -11.013 -5.265 -2.443 1.00 1.66 C ATOM 354 O ASP A 25 -10.356 -4.744 -3.336 1.00 1.97 O ATOM 355 CB ASP A 25 -13.193 -4.157 -2.230 1.00 2.79 C ATOM 356 CG ASP A 25 -14.690 -4.227 -2.273 1.00 3.18 C ATOM 357 OD1 ASP A 25 -15.257 -4.230 -3.393 1.00 3.49 O ATOM 358 OD2 ASP A 25 -15.325 -4.300 -1.199 1.00 3.73 O ATOM 0 H ASP A 25 -13.026 -6.244 -0.711 1.00 2.22 H new ATOM 0 HA ASP A 25 -12.775 -5.766 -3.593 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -12.883 -3.847 -1.232 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -12.856 -3.385 -2.922 1.00 2.79 H new ATOM 363 N LEU A 26 -10.500 -5.681 -1.308 1.00 1.45 N ATOM 364 CA LEU A 26 -9.115 -5.502 -0.962 1.00 1.10 C ATOM 365 C LEU A 26 -8.505 -6.846 -0.593 1.00 1.10 C ATOM 366 O LEU A 26 -7.373 -7.156 -0.967 1.00 1.60 O ATOM 367 CB LEU A 26 -9.019 -4.531 0.220 1.00 0.99 C ATOM 368 CG LEU A 26 -7.620 -4.178 0.712 1.00 1.10 C ATOM 369 CD1 LEU A 26 -6.835 -3.446 -0.361 1.00 1.49 C ATOM 370 CD2 LEU A 26 -7.714 -3.343 1.968 1.00 1.62 C ATOM 0 H LEU A 26 -11.044 -6.160 -0.591 1.00 1.45 H new ATOM 0 HA LEU A 26 -8.567 -5.091 -1.810 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -9.524 -3.606 -0.059 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -9.575 -4.958 1.055 1.00 0.99 H new ATOM 0 HG LEU A 26 -7.088 -5.102 0.940 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -5.841 -3.206 0.016 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -6.745 -4.080 -1.243 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -7.354 -2.525 -0.627 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -6.711 -3.094 2.315 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -8.263 -2.426 1.755 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -8.236 -3.907 2.741 1.00 1.62 H new ATOM 382 N SER A 27 -9.258 -7.643 0.150 1.00 1.08 N ATOM 383 CA SER A 27 -8.810 -8.951 0.550 1.00 1.10 C ATOM 384 C SER A 27 -8.864 -9.920 -0.637 1.00 1.13 C ATOM 385 O SER A 27 -9.899 -10.507 -0.926 1.00 1.60 O ATOM 386 CB SER A 27 -9.673 -9.451 1.704 1.00 1.37 C ATOM 387 OG SER A 27 -9.725 -8.473 2.742 1.00 1.84 O ATOM 0 H SER A 27 -10.189 -7.396 0.486 1.00 1.08 H new ATOM 0 HA SER A 27 -7.775 -8.893 0.885 1.00 1.10 H new ATOM 0 HB2 SER A 27 -10.680 -9.667 1.347 1.00 1.37 H new ATOM 0 HB3 SER A 27 -9.266 -10.384 2.094 1.00 1.37 H new ATOM 0 HG SER A 27 -10.283 -8.805 3.476 1.00 1.84 H new ATOM 393 N GLY A 28 -7.772 -9.983 -1.363 1.00 0.95 N ATOM 394 CA GLY A 28 -7.660 -10.861 -2.497 1.00 1.09 C ATOM 395 C GLY A 28 -6.882 -10.191 -3.594 1.00 0.84 C ATOM 396 O GLY A 28 -5.647 -10.245 -3.614 1.00 1.04 O ATOM 0 H GLY A 28 -6.938 -9.425 -1.181 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -7.165 -11.787 -2.203 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -8.653 -11.131 -2.857 1.00 1.09 H new ATOM 400 N ASP A 29 -7.584 -9.527 -4.475 1.00 0.80 N ATOM 401 CA ASP A 29 -6.962 -8.781 -5.553 1.00 0.86 C ATOM 402 C ASP A 29 -7.321 -7.324 -5.391 1.00 0.77 C ATOM 403 O ASP A 29 -8.367 -7.005 -4.794 1.00 1.01 O ATOM 404 CB ASP A 29 -7.358 -9.297 -6.960 1.00 1.28 C ATOM 405 CG ASP A 29 -8.806 -9.054 -7.347 1.00 1.96 C ATOM 406 OD1 ASP A 29 -9.116 -7.975 -7.929 1.00 2.38 O ATOM 407 OD2 ASP A 29 -9.652 -9.956 -7.121 1.00 2.61 O ATOM 0 H ASP A 29 -8.603 -9.484 -4.471 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.883 -8.920 -5.486 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -6.715 -8.821 -7.700 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -7.159 -10.368 -7.007 1.00 1.28 H new ATOM 412 N PHE A 30 -6.485 -6.449 -5.921 1.00 0.58 N ATOM 413 CA PHE A 30 -6.609 -4.993 -5.721 1.00 0.52 C ATOM 414 C PHE A 30 -5.435 -4.285 -6.399 1.00 0.46 C ATOM 415 O PHE A 30 -5.537 -3.143 -6.790 1.00 0.44 O ATOM 416 CB PHE A 30 -6.619 -4.627 -4.202 1.00 0.56 C ATOM 417 CG PHE A 30 -5.328 -4.927 -3.457 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.994 -6.224 -3.087 1.00 0.67 C ATOM 419 CD2 PHE A 30 -4.455 -3.903 -3.131 1.00 0.73 C ATOM 420 CE1 PHE A 30 -3.820 -6.485 -2.413 1.00 0.84 C ATOM 421 CE2 PHE A 30 -3.284 -4.164 -2.458 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.969 -5.457 -2.101 1.00 0.89 C ATOM 0 H PHE A 30 -5.694 -6.717 -6.506 1.00 0.58 H new ATOM 0 HA PHE A 30 -7.553 -4.669 -6.160 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.839 -3.564 -4.102 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -7.433 -5.168 -3.719 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -5.662 -7.037 -3.330 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -4.696 -2.887 -3.408 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -3.571 -7.498 -2.131 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -2.612 -3.356 -2.210 1.00 0.86 H new ATOM 0 HZ PHE A 30 -2.049 -5.661 -1.574 1.00 0.89 H new ATOM 432 N LEU A 31 -4.326 -5.023 -6.521 1.00 0.48 N ATOM 433 CA LEU A 31 -3.041 -4.580 -7.099 1.00 0.49 C ATOM 434 C LEU A 31 -3.201 -3.930 -8.484 1.00 0.43 C ATOM 435 O LEU A 31 -2.415 -3.055 -8.867 1.00 0.46 O ATOM 436 CB LEU A 31 -2.106 -5.802 -7.199 1.00 0.62 C ATOM 437 CG LEU A 31 -0.672 -5.560 -7.684 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.085 -4.695 -6.705 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.049 -6.883 -7.888 1.00 1.53 C ATOM 0 H LEU A 31 -4.293 -5.993 -6.206 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.622 -3.816 -6.444 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.054 -6.267 -6.214 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.570 -6.526 -7.869 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.718 -5.037 -8.639 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.100 -4.536 -7.069 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.419 -3.734 -6.604 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.121 -5.190 -5.734 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.066 -6.694 -8.232 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.081 -7.429 -6.945 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.482 -7.476 -8.633 1.00 1.53 H new ATOM 451 N ASP A 32 -4.223 -4.346 -9.201 1.00 0.43 N ATOM 452 CA ASP A 32 -4.458 -3.893 -10.568 1.00 0.49 C ATOM 453 C ASP A 32 -5.392 -2.678 -10.610 1.00 0.41 C ATOM 454 O ASP A 32 -5.381 -1.900 -11.570 1.00 0.51 O ATOM 455 CB ASP A 32 -5.031 -5.061 -11.389 1.00 0.68 C ATOM 456 CG ASP A 32 -5.335 -4.715 -12.828 1.00 1.43 C ATOM 457 OD1 ASP A 32 -4.391 -4.433 -13.595 1.00 2.17 O ATOM 458 OD2 ASP A 32 -6.529 -4.657 -13.206 1.00 1.99 O ATOM 0 H ASP A 32 -4.919 -5.008 -8.858 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.511 -3.573 -11.002 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -4.321 -5.888 -11.368 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -5.945 -5.413 -10.911 1.00 0.68 H new ATOM 463 N LEU A 33 -6.184 -2.516 -9.583 1.00 0.36 N ATOM 464 CA LEU A 33 -7.097 -1.386 -9.488 1.00 0.35 C ATOM 465 C LEU A 33 -6.391 -0.240 -8.784 1.00 0.32 C ATOM 466 O LEU A 33 -5.455 -0.470 -8.050 1.00 0.38 O ATOM 467 CB LEU A 33 -8.368 -1.778 -8.727 1.00 0.46 C ATOM 468 CG LEU A 33 -9.184 -2.933 -9.324 1.00 0.70 C ATOM 469 CD1 LEU A 33 -10.411 -3.205 -8.477 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.590 -2.635 -10.763 1.00 1.56 C ATOM 0 H LEU A 33 -6.222 -3.154 -8.788 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.391 -1.075 -10.490 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -8.089 -2.046 -7.708 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -9.012 -0.901 -8.661 1.00 0.46 H new ATOM 0 HG LEU A 33 -8.554 -3.822 -9.329 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -10.979 -4.026 -8.913 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -10.103 -3.473 -7.466 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -11.034 -2.311 -8.442 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -10.167 -3.471 -11.159 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -10.197 -1.730 -10.790 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -8.697 -2.490 -11.371 1.00 1.56 H new ATOM 482 N ARG A 34 -6.813 0.977 -9.007 1.00 0.39 N ATOM 483 CA ARG A 34 -6.187 2.109 -8.345 1.00 0.49 C ATOM 484 C ARG A 34 -6.688 2.229 -6.913 1.00 0.45 C ATOM 485 O ARG A 34 -7.756 1.694 -6.575 1.00 0.50 O ATOM 486 CB ARG A 34 -6.442 3.437 -9.080 1.00 0.73 C ATOM 487 CG ARG A 34 -5.833 3.571 -10.470 1.00 0.89 C ATOM 488 CD ARG A 34 -6.549 2.742 -11.519 1.00 0.95 C ATOM 489 NE ARG A 34 -5.996 2.955 -12.863 1.00 1.79 N ATOM 490 CZ ARG A 34 -6.370 2.276 -13.960 1.00 2.53 C ATOM 491 NH1 ARG A 34 -7.253 1.290 -13.863 1.00 2.76 N ATOM 492 NH2 ARG A 34 -5.864 2.588 -15.149 1.00 3.48 N ATOM 0 H ARG A 34 -7.580 1.217 -9.635 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.113 1.920 -8.354 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -7.519 3.579 -9.164 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -6.061 4.249 -8.461 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -5.853 4.619 -10.769 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -4.786 3.270 -10.431 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -6.474 1.686 -11.260 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -7.609 2.995 -11.519 1.00 0.95 H new ATOM 0 HE ARG A 34 -5.276 3.670 -12.971 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -7.648 1.047 -12.955 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -7.536 0.775 -14.697 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -5.188 3.347 -15.232 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -6.152 2.068 -15.978 1.00 3.48 H new ATOM 506 N PHE A 35 -5.925 2.916 -6.067 1.00 0.43 N ATOM 507 CA PHE A 35 -6.338 3.194 -4.688 1.00 0.43 C ATOM 508 C PHE A 35 -7.714 3.861 -4.656 1.00 0.48 C ATOM 509 O PHE A 35 -8.570 3.520 -3.831 1.00 0.52 O ATOM 510 CB PHE A 35 -5.298 4.032 -3.930 1.00 0.44 C ATOM 511 CG PHE A 35 -4.006 3.305 -3.662 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.954 2.284 -2.723 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.849 3.645 -4.332 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.773 1.621 -2.462 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.662 2.985 -4.077 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.624 1.971 -3.142 1.00 0.60 C ATOM 0 H PHE A 35 -5.010 3.294 -6.312 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.410 2.236 -4.173 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.084 4.933 -4.504 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.727 4.353 -2.981 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.851 2.005 -2.189 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.871 4.437 -5.065 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.747 0.830 -1.727 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.764 3.263 -4.609 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.698 1.453 -2.943 1.00 0.60 H new ATOM 526 N GLU A 36 -7.917 4.795 -5.575 1.00 0.53 N ATOM 527 CA GLU A 36 -9.191 5.492 -5.763 1.00 0.67 C ATOM 528 C GLU A 36 -10.359 4.519 -6.039 1.00 0.73 C ATOM 529 O GLU A 36 -11.509 4.813 -5.733 1.00 0.87 O ATOM 530 CB GLU A 36 -9.053 6.544 -6.879 1.00 0.75 C ATOM 531 CG GLU A 36 -8.593 5.980 -8.216 1.00 1.26 C ATOM 532 CD GLU A 36 -8.244 7.045 -9.220 1.00 1.59 C ATOM 533 OE1 GLU A 36 -7.133 7.614 -9.142 1.00 1.90 O ATOM 534 OE2 GLU A 36 -9.081 7.356 -10.099 1.00 2.04 O ATOM 0 H GLU A 36 -7.191 5.098 -6.224 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.436 6.000 -4.831 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.015 7.038 -7.018 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -8.345 7.308 -6.557 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -7.723 5.343 -8.054 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -9.380 5.347 -8.626 1.00 1.26 H new ATOM 541 N ASP A 37 -10.054 3.349 -6.582 1.00 0.70 N ATOM 542 CA ASP A 37 -11.085 2.354 -6.893 1.00 0.83 C ATOM 543 C ASP A 37 -11.358 1.496 -5.689 1.00 0.82 C ATOM 544 O ASP A 37 -12.502 1.144 -5.408 1.00 0.98 O ATOM 545 CB ASP A 37 -10.683 1.437 -8.059 1.00 0.94 C ATOM 546 CG ASP A 37 -10.493 2.151 -9.363 1.00 1.41 C ATOM 547 OD1 ASP A 37 -11.480 2.646 -9.939 1.00 1.71 O ATOM 548 OD2 ASP A 37 -9.359 2.217 -9.852 1.00 2.12 O ATOM 0 H ASP A 37 -9.105 3.060 -6.818 1.00 0.70 H new ATOM 0 HA ASP A 37 -11.977 2.910 -7.182 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -9.757 0.923 -7.800 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.448 0.671 -8.185 1.00 0.94 H new ATOM 553 N ILE A 38 -10.320 1.214 -4.927 1.00 0.68 N ATOM 554 CA ILE A 38 -10.447 0.330 -3.780 1.00 0.70 C ATOM 555 C ILE A 38 -10.749 1.089 -2.487 1.00 0.72 C ATOM 556 O ILE A 38 -10.662 0.547 -1.387 1.00 0.82 O ATOM 557 CB ILE A 38 -9.230 -0.628 -3.614 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.912 0.163 -3.545 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.201 -1.642 -4.754 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.667 -0.691 -3.378 1.00 0.75 C ATOM 0 H ILE A 38 -9.381 1.582 -5.079 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.311 -0.300 -3.990 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.340 -1.168 -2.674 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.811 0.754 -4.455 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.969 0.865 -2.713 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -8.346 -2.307 -4.628 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.120 -2.227 -4.744 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.115 -1.117 -5.706 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.787 -0.048 -3.339 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.740 -1.263 -2.453 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -6.579 -1.375 -4.222 1.00 0.75 H new ATOM 572 N GLY A 39 -11.196 2.322 -2.653 1.00 0.75 N ATOM 573 CA GLY A 39 -11.658 3.133 -1.549 1.00 0.87 C ATOM 574 C GLY A 39 -10.574 3.613 -0.617 1.00 0.68 C ATOM 575 O GLY A 39 -10.779 3.667 0.602 1.00 0.76 O ATOM 0 H GLY A 39 -11.247 2.786 -3.560 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.183 4.000 -1.949 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.384 2.558 -0.974 1.00 0.87 H new ATOM 579 N TYR A 40 -9.437 3.955 -1.157 1.00 0.55 N ATOM 580 CA TYR A 40 -8.364 4.487 -0.358 1.00 0.52 C ATOM 581 C TYR A 40 -8.328 5.976 -0.387 1.00 0.56 C ATOM 582 O TYR A 40 -8.137 6.586 -1.439 1.00 0.71 O ATOM 583 CB TYR A 40 -7.010 3.929 -0.760 1.00 0.60 C ATOM 584 CG TYR A 40 -6.651 2.663 -0.056 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.288 1.473 -0.343 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.662 2.665 0.911 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.950 0.318 0.313 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.314 1.519 1.573 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.964 0.343 1.271 1.00 0.93 C ATOM 590 OH TYR A 40 -5.630 -0.805 1.918 1.00 1.21 O ATOM 0 H TYR A 40 -9.227 3.875 -2.152 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.571 4.167 0.663 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.005 3.751 -1.835 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.244 4.677 -0.557 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.063 1.451 -1.095 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.155 3.589 1.148 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.456 -0.607 0.079 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.538 1.537 2.324 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.527 -0.623 2.875 1.00 1.21 H new ATOM 600 N ASP A 41 -8.529 6.553 0.760 1.00 0.58 N ATOM 601 CA ASP A 41 -8.396 7.978 0.938 1.00 0.77 C ATOM 602 C ASP A 41 -6.949 8.247 1.201 1.00 0.91 C ATOM 603 O ASP A 41 -6.231 7.336 1.645 1.00 1.78 O ATOM 604 CB ASP A 41 -9.209 8.478 2.149 1.00 0.86 C ATOM 605 CG ASP A 41 -10.696 8.300 2.004 1.00 1.62 C ATOM 606 OD1 ASP A 41 -11.208 7.198 2.283 1.00 2.34 O ATOM 607 OD2 ASP A 41 -11.387 9.255 1.589 1.00 2.07 O ATOM 0 H ASP A 41 -8.792 6.050 1.607 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.765 8.491 0.050 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -8.875 7.948 3.041 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -8.994 9.535 2.307 1.00 0.86 H new ATOM 612 N SER A 42 -6.507 9.450 0.935 1.00 0.59 N ATOM 613 CA SER A 42 -5.132 9.843 1.181 1.00 0.58 C ATOM 614 C SER A 42 -4.674 9.542 2.633 1.00 0.51 C ATOM 615 O SER A 42 -3.525 9.146 2.870 1.00 0.51 O ATOM 616 CB SER A 42 -4.921 11.298 0.752 1.00 0.71 C ATOM 617 OG SER A 42 -6.199 12.054 0.810 1.00 0.97 O ATOM 0 H SER A 42 -7.087 10.190 0.541 1.00 0.59 H new ATOM 0 HA SER A 42 -4.478 9.227 0.564 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.184 11.770 1.401 1.00 0.71 H new ATOM 0 HB3 SER A 42 -4.520 11.329 -0.261 1.00 0.71 H new ATOM 622 N LEU A 43 -5.590 9.721 3.575 1.00 0.48 N ATOM 623 CA LEU A 43 -5.396 9.373 4.969 1.00 0.51 C ATOM 624 C LEU A 43 -5.002 7.903 5.098 1.00 0.46 C ATOM 625 O LEU A 43 -3.945 7.588 5.620 1.00 0.50 O ATOM 626 CB LEU A 43 -6.692 9.623 5.739 1.00 0.60 C ATOM 627 CG LEU A 43 -6.653 9.337 7.239 1.00 0.76 C ATOM 628 CD1 LEU A 43 -5.694 10.274 7.951 1.00 1.40 C ATOM 629 CD2 LEU A 43 -8.030 9.453 7.822 1.00 1.64 C ATOM 0 H LEU A 43 -6.508 10.122 3.383 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.597 9.990 5.381 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.979 10.665 5.597 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.478 9.012 5.294 1.00 0.60 H new ATOM 0 HG LEU A 43 -6.293 8.318 7.383 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -5.687 10.047 9.017 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -4.690 10.144 7.546 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -6.015 11.305 7.802 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -7.991 9.247 8.892 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -8.410 10.462 7.660 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -8.692 8.734 7.338 1.00 1.64 H new ATOM 641 N ALA A 44 -5.827 7.020 4.547 1.00 0.44 N ATOM 642 CA ALA A 44 -5.593 5.576 4.620 1.00 0.45 C ATOM 643 C ALA A 44 -4.344 5.194 3.849 1.00 0.41 C ATOM 644 O ALA A 44 -3.637 4.244 4.202 1.00 0.47 O ATOM 645 CB ALA A 44 -6.785 4.815 4.078 1.00 0.51 C ATOM 0 H ALA A 44 -6.673 7.279 4.039 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.452 5.311 5.668 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.592 3.744 4.141 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.670 5.059 4.665 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -6.952 5.093 3.037 1.00 0.51 H new ATOM 651 N LEU A 45 -4.065 5.944 2.812 1.00 0.39 N ATOM 652 CA LEU A 45 -2.901 5.724 2.000 1.00 0.42 C ATOM 653 C LEU A 45 -1.626 6.003 2.800 1.00 0.41 C ATOM 654 O LEU A 45 -0.680 5.207 2.758 1.00 0.44 O ATOM 655 CB LEU A 45 -2.975 6.566 0.730 1.00 0.50 C ATOM 656 CG LEU A 45 -1.832 6.408 -0.272 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.679 4.953 -0.698 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.104 7.269 -1.478 1.00 0.90 C ATOM 0 H LEU A 45 -4.644 6.727 2.509 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.870 4.677 1.699 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -3.909 6.329 0.220 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.028 7.615 1.021 1.00 0.50 H new ATOM 0 HG LEU A 45 -0.903 6.722 0.204 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.859 4.867 -1.411 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.465 4.338 0.176 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.603 4.611 -1.164 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.290 7.159 -2.195 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.041 6.960 -1.942 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.178 8.312 -1.171 1.00 0.90 H new ATOM 670 N MET A 46 -1.610 7.092 3.574 1.00 0.42 N ATOM 671 CA MET A 46 -0.433 7.371 4.391 1.00 0.48 C ATOM 672 C MET A 46 -0.358 6.404 5.566 1.00 0.46 C ATOM 673 O MET A 46 0.723 6.106 6.047 1.00 0.53 O ATOM 674 CB MET A 46 -0.314 8.833 4.878 1.00 0.57 C ATOM 675 CG MET A 46 -1.349 9.280 5.894 1.00 0.58 C ATOM 676 SD MET A 46 -0.874 10.815 6.699 1.00 1.46 S ATOM 677 CE MET A 46 -2.217 11.038 7.855 1.00 1.78 C ATOM 0 H MET A 46 -2.369 7.770 3.650 1.00 0.42 H new ATOM 0 HA MET A 46 0.421 7.220 3.730 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.676 8.971 5.312 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.377 9.491 4.011 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.311 9.412 5.399 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.481 8.501 6.645 1.00 0.58 H new ATOM 0 HE1 MET A 46 -1.873 11.631 8.702 1.00 1.78 H new ATOM 0 HE2 MET A 46 -3.040 11.554 7.361 1.00 1.78 H new ATOM 0 HE3 MET A 46 -2.558 10.065 8.208 1.00 1.78 H new ATOM 687 N GLU A 47 -1.520 5.900 6.011 1.00 0.44 N ATOM 688 CA GLU A 47 -1.572 4.873 7.061 1.00 0.49 C ATOM 689 C GLU A 47 -0.845 3.633 6.577 1.00 0.47 C ATOM 690 O GLU A 47 -0.053 3.033 7.300 1.00 0.51 O ATOM 691 CB GLU A 47 -3.020 4.506 7.386 1.00 0.54 C ATOM 692 CG GLU A 47 -3.825 5.623 8.001 1.00 0.78 C ATOM 693 CD GLU A 47 -3.306 6.013 9.346 1.00 1.06 C ATOM 694 OE1 GLU A 47 -3.628 5.320 10.329 1.00 1.03 O ATOM 695 OE2 GLU A 47 -2.574 7.013 9.453 1.00 1.88 O ATOM 0 H GLU A 47 -2.434 6.187 5.660 1.00 0.44 H new ATOM 0 HA GLU A 47 -1.098 5.266 7.960 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.514 4.181 6.470 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -3.022 3.656 8.068 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -3.806 6.490 7.340 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -4.866 5.313 8.090 1.00 0.78 H new ATOM 702 N THR A 48 -1.113 3.287 5.335 1.00 0.45 N ATOM 703 CA THR A 48 -0.487 2.173 4.674 1.00 0.48 C ATOM 704 C THR A 48 1.027 2.414 4.614 1.00 0.44 C ATOM 705 O THR A 48 1.820 1.603 5.107 1.00 0.46 O ATOM 706 CB THR A 48 -1.054 2.045 3.238 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.493 1.954 3.288 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.502 0.809 2.549 1.00 0.65 C ATOM 0 H THR A 48 -1.785 3.784 4.751 1.00 0.45 H new ATOM 0 HA THR A 48 -0.688 1.253 5.223 1.00 0.48 H new ATOM 0 HB THR A 48 -0.756 2.928 2.673 1.00 0.54 H new ATOM 0 HG1 THR A 48 -2.869 2.834 3.500 1.00 0.63 H new ATOM 0 HG21 THR A 48 -0.914 0.739 1.542 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.584 0.878 2.493 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.780 -0.079 3.117 1.00 0.65 H new ATOM 716 N ALA A 49 1.400 3.551 4.036 1.00 0.45 N ATOM 717 CA ALA A 49 2.788 3.935 3.845 1.00 0.48 C ATOM 718 C ALA A 49 3.582 3.934 5.157 1.00 0.44 C ATOM 719 O ALA A 49 4.604 3.262 5.256 1.00 0.45 O ATOM 720 CB ALA A 49 2.863 5.298 3.172 1.00 0.57 C ATOM 0 H ALA A 49 0.735 4.239 3.683 1.00 0.45 H new ATOM 0 HA ALA A 49 3.248 3.187 3.199 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.907 5.578 3.033 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.367 5.253 2.202 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.369 6.041 3.798 1.00 0.57 H new ATOM 726 N ALA A 50 3.078 4.637 6.165 1.00 0.44 N ATOM 727 CA ALA A 50 3.766 4.761 7.457 1.00 0.46 C ATOM 728 C ALA A 50 3.933 3.412 8.141 1.00 0.44 C ATOM 729 O ALA A 50 4.976 3.138 8.760 1.00 0.44 O ATOM 730 CB ALA A 50 3.027 5.723 8.372 1.00 0.56 C ATOM 0 H ALA A 50 2.189 5.135 6.117 1.00 0.44 H new ATOM 0 HA ALA A 50 4.760 5.159 7.254 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.555 5.799 9.323 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.979 6.706 7.904 1.00 0.56 H new ATOM 0 HB3 ALA A 50 2.016 5.355 8.547 1.00 0.56 H new ATOM 736 N ARG A 51 2.926 2.564 8.018 1.00 0.46 N ATOM 737 CA ARG A 51 2.968 1.240 8.614 1.00 0.48 C ATOM 738 C ARG A 51 4.027 0.393 7.912 1.00 0.46 C ATOM 739 O ARG A 51 4.752 -0.371 8.546 1.00 0.49 O ATOM 740 CB ARG A 51 1.589 0.569 8.548 1.00 0.54 C ATOM 741 CG ARG A 51 1.511 -0.775 9.256 1.00 0.78 C ATOM 742 CD ARG A 51 0.096 -1.338 9.231 1.00 0.80 C ATOM 743 NE ARG A 51 -0.870 -0.421 9.856 1.00 1.68 N ATOM 744 CZ ARG A 51 -1.747 -0.745 10.819 1.00 2.07 C ATOM 745 NH1 ARG A 51 -1.807 -1.998 11.294 1.00 1.80 N ATOM 746 NH2 ARG A 51 -2.571 0.188 11.292 1.00 3.14 N ATOM 0 H ARG A 51 2.067 2.770 7.509 1.00 0.46 H new ATOM 0 HA ARG A 51 3.237 1.333 9.666 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.850 1.240 8.986 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.315 0.432 7.502 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.192 -1.479 8.778 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.841 -0.663 10.289 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.200 -1.530 8.200 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.077 -2.295 9.752 1.00 0.80 H new ATOM 0 HE ARG A 51 -0.874 0.545 9.529 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.183 -2.714 10.923 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -2.477 -2.234 12.026 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -2.532 1.138 10.922 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -3.241 -0.047 12.024 1.00 3.14 H new ATOM 760 N LEU A 52 4.139 0.564 6.609 1.00 0.44 N ATOM 761 CA LEU A 52 5.131 -0.148 5.826 1.00 0.46 C ATOM 762 C LEU A 52 6.534 0.332 6.156 1.00 0.38 C ATOM 763 O LEU A 52 7.451 -0.479 6.307 1.00 0.40 O ATOM 764 CB LEU A 52 4.846 -0.003 4.332 1.00 0.55 C ATOM 765 CG LEU A 52 3.591 -0.712 3.832 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.296 -0.327 2.401 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.773 -2.211 3.932 1.00 0.80 C ATOM 0 H LEU A 52 3.550 1.195 6.066 1.00 0.44 H new ATOM 0 HA LEU A 52 5.069 -1.205 6.085 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.761 1.058 4.097 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.703 -0.384 3.777 1.00 0.55 H new ATOM 0 HG LEU A 52 2.750 -0.407 4.455 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.397 -0.843 2.063 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.141 0.750 2.339 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.137 -0.610 1.767 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.873 -2.711 3.574 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.625 -2.516 3.324 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.952 -2.487 4.971 1.00 0.80 H new ATOM 779 N GLU A 53 6.687 1.642 6.294 1.00 0.35 N ATOM 780 CA GLU A 53 7.972 2.242 6.627 1.00 0.33 C ATOM 781 C GLU A 53 8.500 1.727 7.943 1.00 0.34 C ATOM 782 O GLU A 53 9.616 1.207 8.007 1.00 0.41 O ATOM 783 CB GLU A 53 7.879 3.750 6.680 1.00 0.34 C ATOM 784 CG GLU A 53 7.539 4.388 5.367 1.00 0.35 C ATOM 785 CD GLU A 53 7.527 5.871 5.467 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.503 6.434 5.845 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.573 6.498 5.190 1.00 0.49 O ATOM 0 H GLU A 53 5.929 2.315 6.179 1.00 0.35 H new ATOM 0 HA GLU A 53 8.665 1.957 5.835 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.125 4.031 7.415 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.830 4.150 7.031 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.263 4.079 4.613 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.562 4.037 5.033 1.00 0.35 H new ATOM 794 N SER A 54 7.692 1.844 8.968 1.00 0.36 N ATOM 795 CA SER A 54 8.065 1.417 10.292 1.00 0.43 C ATOM 796 C SER A 54 8.332 -0.102 10.364 1.00 0.42 C ATOM 797 O SER A 54 9.340 -0.534 10.926 1.00 0.48 O ATOM 798 CB SER A 54 7.002 1.874 11.300 1.00 0.55 C ATOM 799 OG SER A 54 5.691 1.573 10.823 1.00 1.22 O ATOM 0 H SER A 54 6.754 2.240 8.906 1.00 0.36 H new ATOM 0 HA SER A 54 9.011 1.890 10.554 1.00 0.43 H new ATOM 0 HB2 SER A 54 7.167 1.382 12.258 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.094 2.946 11.472 1.00 0.55 H new ATOM 0 HG SER A 54 5.395 2.279 10.211 1.00 1.22 H new ATOM 805 N ARG A 55 7.450 -0.890 9.763 1.00 0.44 N ATOM 806 CA ARG A 55 7.569 -2.348 9.782 1.00 0.51 C ATOM 807 C ARG A 55 8.766 -2.865 8.973 1.00 0.56 C ATOM 808 O ARG A 55 9.564 -3.655 9.474 1.00 0.64 O ATOM 809 CB ARG A 55 6.274 -3.000 9.283 1.00 0.60 C ATOM 810 CG ARG A 55 6.268 -4.525 9.329 1.00 0.77 C ATOM 811 CD ARG A 55 4.922 -5.082 8.894 1.00 0.95 C ATOM 812 NE ARG A 55 3.840 -4.611 9.766 1.00 1.51 N ATOM 813 CZ ARG A 55 2.531 -4.797 9.570 1.00 1.97 C ATOM 814 NH1 ARG A 55 2.074 -5.480 8.512 1.00 1.87 N ATOM 815 NH2 ARG A 55 1.665 -4.330 10.462 1.00 2.88 N ATOM 0 H ARG A 55 6.638 -0.544 9.252 1.00 0.44 H new ATOM 0 HA ARG A 55 7.744 -2.629 10.820 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.442 -2.629 9.882 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.095 -2.681 8.256 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.053 -4.914 8.680 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.494 -4.862 10.341 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.718 -4.784 7.866 1.00 0.95 H new ATOM 0 HD3 ARG A 55 4.955 -6.171 8.909 1.00 0.95 H new ATOM 0 HE ARG A 55 4.113 -4.092 10.601 1.00 1.51 H new ATOM 0 HH11 ARG A 55 2.730 -5.871 7.835 1.00 1.87 H new ATOM 0 HH12 ARG A 55 1.070 -5.609 8.383 1.00 1.87 H new ATOM 0 HH21 ARG A 55 2.001 -3.834 11.288 1.00 2.88 H new ATOM 0 HH22 ARG A 55 0.664 -4.467 10.321 1.00 2.88 H new ATOM 829 N TYR A 56 8.901 -2.412 7.744 1.00 0.56 N ATOM 830 CA TYR A 56 9.916 -2.962 6.839 1.00 0.67 C ATOM 831 C TYR A 56 11.231 -2.210 6.871 1.00 0.70 C ATOM 832 O TYR A 56 12.211 -2.662 6.276 1.00 0.86 O ATOM 833 CB TYR A 56 9.383 -3.053 5.400 1.00 0.75 C ATOM 834 CG TYR A 56 8.270 -4.063 5.226 1.00 0.85 C ATOM 835 CD1 TYR A 56 6.949 -3.738 5.510 1.00 0.82 C ATOM 836 CD2 TYR A 56 8.545 -5.348 4.785 1.00 1.09 C ATOM 837 CE1 TYR A 56 5.939 -4.664 5.367 1.00 0.96 C ATOM 838 CE2 TYR A 56 7.542 -6.280 4.633 1.00 1.24 C ATOM 839 CZ TYR A 56 6.240 -5.936 4.928 1.00 1.17 C ATOM 840 OH TYR A 56 5.239 -6.874 4.786 1.00 1.33 O ATOM 0 H TYR A 56 8.330 -1.669 7.341 1.00 0.56 H new ATOM 0 HA TYR A 56 10.127 -3.966 7.207 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.022 -2.071 5.093 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.205 -3.313 4.733 1.00 0.75 H new ATOM 0 HD1 TYR A 56 6.710 -2.741 5.849 1.00 0.82 H new ATOM 0 HD2 TYR A 56 9.564 -5.624 4.556 1.00 1.09 H new ATOM 0 HE1 TYR A 56 4.919 -4.395 5.597 1.00 0.96 H new ATOM 0 HE2 TYR A 56 7.775 -7.275 4.284 1.00 1.24 H new ATOM 0 HH TYR A 56 4.398 -6.423 4.563 1.00 1.33 H new ATOM 850 N GLY A 57 11.256 -1.083 7.549 1.00 0.61 N ATOM 851 CA GLY A 57 12.471 -0.301 7.625 1.00 0.68 C ATOM 852 C GLY A 57 12.753 0.387 6.311 1.00 0.72 C ATOM 853 O GLY A 57 13.862 0.292 5.762 1.00 0.91 O ATOM 0 H GLY A 57 10.459 -0.691 8.050 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.381 0.442 8.417 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.308 -0.947 7.888 1.00 0.68 H new ATOM 857 N VAL A 58 11.753 1.071 5.800 1.00 0.62 N ATOM 858 CA VAL A 58 11.846 1.759 4.524 1.00 0.65 C ATOM 859 C VAL A 58 11.485 3.230 4.679 1.00 0.57 C ATOM 860 O VAL A 58 11.058 3.649 5.756 1.00 0.50 O ATOM 861 CB VAL A 58 10.995 1.098 3.384 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.454 -0.327 3.114 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.508 1.120 3.707 1.00 0.57 C ATOM 0 H VAL A 58 10.847 1.168 6.258 1.00 0.62 H new ATOM 0 HA VAL A 58 12.887 1.671 4.211 1.00 0.65 H new ATOM 0 HB VAL A 58 11.152 1.691 2.483 1.00 0.67 H new ATOM 0 HG11 VAL A 58 10.847 -0.760 2.319 1.00 0.81 H new ATOM 0 HG12 VAL A 58 12.500 -0.321 2.809 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.344 -0.922 4.020 1.00 0.81 H new ATOM 0 HG21 VAL A 58 8.952 0.653 2.894 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.328 0.571 4.631 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.177 2.152 3.828 1.00 0.57 H new ATOM 873 N SER A 59 11.649 3.998 3.629 1.00 0.63 N ATOM 874 CA SER A 59 11.358 5.411 3.658 1.00 0.63 C ATOM 875 C SER A 59 10.557 5.774 2.411 1.00 0.62 C ATOM 876 O SER A 59 11.051 5.641 1.283 1.00 0.73 O ATOM 877 CB SER A 59 12.675 6.194 3.676 1.00 0.83 C ATOM 878 OG SER A 59 13.551 5.699 4.693 1.00 1.41 O ATOM 0 H SER A 59 11.989 3.660 2.729 1.00 0.63 H new ATOM 0 HA SER A 59 10.780 5.659 4.548 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.161 6.118 2.703 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.472 7.251 3.849 1.00 0.83 H new ATOM 0 HG SER A 59 14.385 6.213 4.684 1.00 1.41 H new ATOM 884 N ILE A 60 9.318 6.145 2.606 1.00 0.52 N ATOM 885 CA ILE A 60 8.442 6.511 1.517 1.00 0.53 C ATOM 886 C ILE A 60 8.269 8.033 1.493 1.00 0.59 C ATOM 887 O ILE A 60 7.620 8.594 2.373 1.00 0.67 O ATOM 888 CB ILE A 60 7.051 5.830 1.645 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.221 4.309 1.790 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.192 6.153 0.418 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.924 3.548 1.967 1.00 0.55 C ATOM 0 H ILE A 60 8.884 6.203 3.527 1.00 0.52 H new ATOM 0 HA ILE A 60 8.897 6.169 0.587 1.00 0.53 H new ATOM 0 HB ILE A 60 6.550 6.213 2.534 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.734 3.927 0.907 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.866 4.108 2.646 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.219 5.671 0.518 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.056 7.232 0.343 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.688 5.786 -0.480 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.137 2.483 2.061 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.417 3.898 2.866 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.283 3.715 1.101 1.00 0.55 H new ATOM 903 N PRO A 61 8.870 8.720 0.517 1.00 0.62 N ATOM 904 CA PRO A 61 8.761 10.176 0.399 1.00 0.71 C ATOM 905 C PRO A 61 7.339 10.628 0.026 1.00 0.65 C ATOM 906 O PRO A 61 6.575 9.873 -0.603 1.00 0.57 O ATOM 907 CB PRO A 61 9.736 10.524 -0.738 1.00 0.78 C ATOM 908 CG PRO A 61 10.589 9.311 -0.904 1.00 0.77 C ATOM 909 CD PRO A 61 9.726 8.150 -0.525 1.00 0.64 C ATOM 0 HA PRO A 61 8.987 10.672 1.343 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.201 10.758 -1.658 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.338 11.398 -0.488 1.00 0.78 H new ATOM 0 HG2 PRO A 61 10.940 9.218 -1.932 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.473 9.365 -0.269 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.146 7.782 -1.371 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.314 7.311 -0.153 1.00 0.64 H new ATOM 917 N ASP A 62 7.028 11.875 0.364 1.00 0.75 N ATOM 918 CA ASP A 62 5.719 12.524 0.111 1.00 0.78 C ATOM 919 C ASP A 62 5.374 12.505 -1.364 1.00 0.68 C ATOM 920 O ASP A 62 4.213 12.304 -1.758 1.00 0.67 O ATOM 921 CB ASP A 62 5.775 13.982 0.608 1.00 0.99 C ATOM 922 CG ASP A 62 4.589 14.833 0.191 1.00 1.34 C ATOM 923 OD1 ASP A 62 4.580 15.373 -0.933 1.00 2.03 O ATOM 924 OD2 ASP A 62 3.612 14.936 0.974 1.00 1.88 O ATOM 0 H ASP A 62 7.690 12.491 0.836 1.00 0.75 H new ATOM 0 HA ASP A 62 4.948 11.971 0.647 1.00 0.78 H new ATOM 0 HB2 ASP A 62 5.840 13.980 1.696 1.00 0.99 H new ATOM 0 HB3 ASP A 62 6.688 14.445 0.235 1.00 0.99 H new ATOM 929 N ASP A 63 6.403 12.642 -2.173 1.00 0.67 N ATOM 930 CA ASP A 63 6.262 12.689 -3.622 1.00 0.67 C ATOM 931 C ASP A 63 5.873 11.339 -4.140 1.00 0.58 C ATOM 932 O ASP A 63 5.039 11.220 -5.015 1.00 0.60 O ATOM 933 CB ASP A 63 7.589 13.094 -4.282 1.00 0.85 C ATOM 934 CG ASP A 63 8.036 14.482 -3.931 1.00 1.44 C ATOM 935 OD1 ASP A 63 8.618 14.682 -2.842 1.00 2.23 O ATOM 936 OD2 ASP A 63 7.838 15.405 -4.736 1.00 1.95 O ATOM 0 H ASP A 63 7.366 12.725 -1.848 1.00 0.67 H new ATOM 0 HA ASP A 63 5.494 13.424 -3.862 1.00 0.67 H new ATOM 0 HB2 ASP A 63 8.363 12.386 -3.986 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.485 13.018 -5.364 1.00 0.85 H new ATOM 941 N VAL A 64 6.445 10.317 -3.557 1.00 0.60 N ATOM 942 CA VAL A 64 6.195 8.970 -3.990 1.00 0.64 C ATOM 943 C VAL A 64 4.852 8.481 -3.463 1.00 0.60 C ATOM 944 O VAL A 64 4.060 7.921 -4.211 1.00 0.58 O ATOM 945 CB VAL A 64 7.321 8.007 -3.561 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.023 6.607 -4.057 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.662 8.479 -4.108 1.00 0.98 C ATOM 0 H VAL A 64 7.093 10.396 -2.773 1.00 0.60 H new ATOM 0 HA VAL A 64 6.169 8.979 -5.080 1.00 0.64 H new ATOM 0 HB VAL A 64 7.373 7.996 -2.472 1.00 0.84 H new ATOM 0 HG11 VAL A 64 7.823 5.934 -3.749 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.078 6.265 -3.634 1.00 0.97 H new ATOM 0 HG13 VAL A 64 6.952 6.614 -5.145 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.446 7.788 -3.796 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.620 8.512 -5.197 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.882 9.475 -3.723 1.00 0.98 H new ATOM 957 N ALA A 65 4.591 8.725 -2.189 1.00 0.72 N ATOM 958 CA ALA A 65 3.353 8.285 -1.546 1.00 0.85 C ATOM 959 C ALA A 65 2.116 8.874 -2.222 1.00 0.80 C ATOM 960 O ALA A 65 1.071 8.249 -2.262 1.00 0.90 O ATOM 961 CB ALA A 65 3.366 8.638 -0.069 1.00 1.09 C ATOM 0 H ALA A 65 5.225 9.231 -1.570 1.00 0.72 H new ATOM 0 HA ALA A 65 3.300 7.202 -1.653 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.437 8.303 0.393 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.210 8.147 0.415 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.460 9.718 0.046 1.00 1.09 H new ATOM 967 N GLY A 66 2.258 10.059 -2.778 1.00 0.73 N ATOM 968 CA GLY A 66 1.139 10.684 -3.429 1.00 0.81 C ATOM 969 C GLY A 66 1.109 10.457 -4.928 1.00 0.73 C ATOM 970 O GLY A 66 0.149 10.834 -5.587 1.00 0.92 O ATOM 0 H GLY A 66 3.124 10.597 -2.790 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.216 10.303 -2.993 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.166 11.756 -3.232 1.00 0.81 H new ATOM 974 N ARG A 67 2.144 9.840 -5.481 1.00 0.56 N ATOM 975 CA ARG A 67 2.194 9.638 -6.932 1.00 0.61 C ATOM 976 C ARG A 67 1.776 8.226 -7.304 1.00 0.58 C ATOM 977 O ARG A 67 1.643 7.903 -8.472 1.00 0.79 O ATOM 978 CB ARG A 67 3.593 9.915 -7.502 1.00 0.63 C ATOM 979 CG ARG A 67 4.629 8.860 -7.143 1.00 0.57 C ATOM 980 CD ARG A 67 6.006 9.208 -7.665 1.00 0.87 C ATOM 981 NE ARG A 67 6.024 9.371 -9.117 1.00 1.64 N ATOM 982 CZ ARG A 67 6.681 8.579 -9.966 1.00 2.30 C ATOM 983 NH1 ARG A 67 7.284 7.479 -9.528 1.00 2.40 N ATOM 984 NH2 ARG A 67 6.732 8.883 -11.251 1.00 3.30 N ATOM 0 H ARG A 67 2.946 9.476 -4.966 1.00 0.56 H new ATOM 0 HA ARG A 67 1.493 10.350 -7.367 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.524 9.987 -8.587 1.00 0.63 H new ATOM 0 HB3 ARG A 67 3.936 10.884 -7.140 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.671 8.749 -6.060 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.321 7.897 -7.551 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.348 10.129 -7.194 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.709 8.425 -7.381 1.00 0.87 H new ATOM 0 HE ARG A 67 5.494 10.149 -9.511 1.00 1.64 H new ATOM 0 HH11 ARG A 67 7.246 7.236 -8.538 1.00 2.40 H new ATOM 0 HH12 ARG A 67 7.785 6.877 -10.182 1.00 2.40 H new ATOM 0 HH21 ARG A 67 6.269 9.724 -11.595 1.00 3.30 H new ATOM 0 HH22 ARG A 67 7.235 8.277 -11.899 1.00 3.30 H new ATOM 998 N VAL A 68 1.605 7.381 -6.317 1.00 0.45 N ATOM 999 CA VAL A 68 1.251 6.004 -6.572 1.00 0.45 C ATOM 1000 C VAL A 68 -0.270 5.838 -6.687 1.00 0.46 C ATOM 1001 O VAL A 68 -1.011 5.964 -5.712 1.00 0.53 O ATOM 1002 CB VAL A 68 1.894 5.013 -5.532 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.408 5.023 -5.668 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.524 5.341 -4.092 1.00 0.85 C ATOM 0 H VAL A 68 1.705 7.621 -5.331 1.00 0.45 H new ATOM 0 HA VAL A 68 1.678 5.731 -7.537 1.00 0.45 H new ATOM 0 HB VAL A 68 1.494 4.025 -5.759 1.00 0.53 H new ATOM 0 HG11 VAL A 68 3.843 4.334 -4.944 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.685 4.713 -6.676 1.00 1.45 H new ATOM 0 HG13 VAL A 68 3.783 6.029 -5.482 1.00 1.45 H new ATOM 0 HG21 VAL A 68 1.997 4.623 -3.422 1.00 0.85 H new ATOM 0 HG22 VAL A 68 1.868 6.346 -3.848 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.442 5.289 -3.974 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.726 5.622 -7.908 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.157 5.475 -8.190 1.00 0.53 C ATOM 1016 C ASP A 69 -2.563 4.038 -8.003 1.00 0.42 C ATOM 1017 O ASP A 69 -3.570 3.739 -7.377 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.499 5.892 -9.638 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.322 7.365 -9.934 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -3.279 8.151 -9.729 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -1.206 7.768 -10.346 1.00 2.04 O ATOM 0 H ASP A 69 -0.128 5.543 -8.730 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.696 6.125 -7.501 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -1.873 5.321 -10.323 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.533 5.616 -9.846 1.00 0.71 H new ATOM 1026 N THR A 70 -1.786 3.153 -8.533 1.00 0.35 N ATOM 1027 CA THR A 70 -2.035 1.754 -8.385 1.00 0.29 C ATOM 1028 C THR A 70 -1.096 1.173 -7.327 1.00 0.26 C ATOM 1029 O THR A 70 0.043 1.655 -7.168 1.00 0.29 O ATOM 1030 CB THR A 70 -1.842 1.037 -9.729 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.703 1.596 -10.394 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.071 1.161 -10.610 1.00 0.39 C ATOM 0 H THR A 70 -0.957 3.378 -9.083 1.00 0.35 H new ATOM 0 HA THR A 70 -3.065 1.605 -8.061 1.00 0.29 H new ATOM 0 HB THR A 70 -1.683 -0.024 -9.537 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.571 1.143 -11.253 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.897 0.641 -11.552 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.928 0.717 -10.104 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.272 2.214 -10.808 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.554 0.158 -6.560 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.744 -0.501 -5.536 1.00 0.31 C ATOM 1042 C PRO A 71 0.558 -1.054 -6.097 1.00 0.32 C ATOM 1043 O PRO A 71 1.540 -1.148 -5.383 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.638 -1.636 -5.035 1.00 0.34 C ATOM 1045 CG PRO A 71 -3.012 -1.168 -5.320 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.914 -0.395 -6.600 1.00 0.30 C ATOM 0 HA PRO A 71 -0.444 0.193 -4.751 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.421 -2.571 -5.551 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.492 -1.818 -3.970 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.700 -2.008 -5.420 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.389 -0.542 -4.511 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.062 -1.036 -7.469 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.666 0.392 -6.653 1.00 0.30 H new ATOM 1054 N ARG A 72 0.549 -1.427 -7.380 1.00 0.32 N ATOM 1055 CA ARG A 72 1.747 -1.911 -8.068 1.00 0.38 C ATOM 1056 C ARG A 72 2.919 -0.925 -7.939 1.00 0.35 C ATOM 1057 O ARG A 72 4.043 -1.323 -7.653 1.00 0.36 O ATOM 1058 CB ARG A 72 1.450 -2.251 -9.543 1.00 0.45 C ATOM 1059 CG ARG A 72 0.906 -1.104 -10.372 1.00 0.88 C ATOM 1060 CD ARG A 72 0.654 -1.511 -11.814 1.00 0.81 C ATOM 1061 NE ARG A 72 -0.210 -2.694 -11.902 1.00 0.86 N ATOM 1062 CZ ARG A 72 -1.334 -2.811 -12.619 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -1.817 -1.787 -13.330 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.965 -3.967 -12.617 1.00 1.55 N ATOM 0 H ARG A 72 -0.285 -1.402 -7.967 1.00 0.32 H new ATOM 0 HA ARG A 72 2.052 -2.834 -7.574 1.00 0.38 H new ATOM 0 HB2 ARG A 72 2.368 -2.611 -10.008 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.734 -3.072 -9.573 1.00 0.45 H new ATOM 0 HG2 ARG A 72 -0.023 -0.746 -9.929 1.00 0.88 H new ATOM 0 HG3 ARG A 72 1.611 -0.273 -10.348 1.00 0.88 H new ATOM 0 HD2 ARG A 72 0.192 -0.682 -12.350 1.00 0.81 H new ATOM 0 HD3 ARG A 72 1.605 -1.718 -12.305 1.00 0.81 H new ATOM 0 HE ARG A 72 0.075 -3.511 -11.361 1.00 0.86 H new ATOM 0 HH11 ARG A 72 -1.327 -0.893 -13.334 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -2.676 -1.900 -13.869 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.595 -4.749 -12.077 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -2.824 -4.080 -13.156 1.00 1.55 H new ATOM 1078 N GLU A 73 2.625 0.364 -8.083 1.00 0.34 N ATOM 1079 CA GLU A 73 3.642 1.406 -8.006 1.00 0.36 C ATOM 1080 C GLU A 73 4.205 1.474 -6.580 1.00 0.32 C ATOM 1081 O GLU A 73 5.414 1.665 -6.365 1.00 0.35 O ATOM 1082 CB GLU A 73 3.026 2.754 -8.378 1.00 0.42 C ATOM 1083 CG GLU A 73 2.313 2.781 -9.720 1.00 0.60 C ATOM 1084 CD GLU A 73 3.212 2.479 -10.889 1.00 1.37 C ATOM 1085 OE1 GLU A 73 3.873 3.400 -11.389 1.00 1.78 O ATOM 1086 OE2 GLU A 73 3.236 1.328 -11.360 1.00 2.18 O ATOM 0 H GLU A 73 1.682 0.713 -8.255 1.00 0.34 H new ATOM 0 HA GLU A 73 4.448 1.173 -8.702 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.318 3.041 -7.601 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.813 3.508 -8.386 1.00 0.42 H new ATOM 0 HG2 GLU A 73 1.498 2.057 -9.703 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.864 3.764 -9.863 1.00 0.60 H new ATOM 1093 N LEU A 74 3.314 1.312 -5.619 1.00 0.31 N ATOM 1094 CA LEU A 74 3.657 1.328 -4.206 1.00 0.32 C ATOM 1095 C LEU A 74 4.496 0.079 -3.873 1.00 0.30 C ATOM 1096 O LEU A 74 5.501 0.163 -3.166 1.00 0.31 O ATOM 1097 CB LEU A 74 2.341 1.423 -3.370 1.00 0.36 C ATOM 1098 CG LEU A 74 2.428 1.648 -1.834 1.00 0.39 C ATOM 1099 CD1 LEU A 74 2.896 0.408 -1.089 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.322 2.842 -1.508 1.00 0.44 C ATOM 0 H LEU A 74 2.321 1.164 -5.798 1.00 0.31 H new ATOM 0 HA LEU A 74 4.266 2.196 -3.954 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.747 2.236 -3.787 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.781 0.502 -3.535 1.00 0.36 H new ATOM 0 HG LEU A 74 1.416 1.863 -1.490 1.00 0.39 H new ATOM 0 HD11 LEU A 74 2.939 0.620 -0.021 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.198 -0.410 -1.269 1.00 0.44 H new ATOM 0 HD13 LEU A 74 3.887 0.123 -1.443 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.367 2.979 -0.428 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.326 2.661 -1.893 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.913 3.740 -1.971 1.00 0.44 H new ATOM 1112 N LEU A 75 4.074 -1.057 -4.413 1.00 0.29 N ATOM 1113 CA LEU A 75 4.765 -2.338 -4.260 1.00 0.30 C ATOM 1114 C LEU A 75 6.214 -2.212 -4.721 1.00 0.29 C ATOM 1115 O LEU A 75 7.152 -2.580 -3.989 1.00 0.30 O ATOM 1116 CB LEU A 75 4.041 -3.422 -5.084 1.00 0.33 C ATOM 1117 CG LEU A 75 4.666 -4.822 -5.092 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.686 -5.416 -3.700 1.00 0.41 C ATOM 1119 CD2 LEU A 75 3.918 -5.733 -6.048 1.00 0.45 C ATOM 0 H LEU A 75 3.228 -1.119 -4.980 1.00 0.29 H new ATOM 0 HA LEU A 75 4.756 -2.623 -3.208 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.021 -3.508 -4.709 1.00 0.33 H new ATOM 0 HB3 LEU A 75 3.973 -3.075 -6.115 1.00 0.33 H new ATOM 0 HG LEU A 75 5.697 -4.730 -5.435 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.134 -6.409 -3.735 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.272 -4.776 -3.040 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.666 -5.491 -3.322 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.375 -6.722 -6.041 1.00 0.45 H new ATOM 0 HD22 LEU A 75 2.877 -5.812 -5.735 1.00 0.45 H new ATOM 0 HD23 LEU A 75 3.964 -5.320 -7.055 1.00 0.45 H new ATOM 1131 N ASP A 76 6.386 -1.666 -5.924 1.00 0.31 N ATOM 1132 CA ASP A 76 7.710 -1.445 -6.500 1.00 0.34 C ATOM 1133 C ASP A 76 8.557 -0.559 -5.609 1.00 0.32 C ATOM 1134 O ASP A 76 9.754 -0.800 -5.451 1.00 0.34 O ATOM 1135 CB ASP A 76 7.628 -0.839 -7.901 1.00 0.45 C ATOM 1136 CG ASP A 76 9.004 -0.607 -8.509 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.654 -1.594 -8.922 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.470 0.567 -8.559 1.00 1.25 O ATOM 0 H ASP A 76 5.617 -1.366 -6.523 1.00 0.31 H new ATOM 0 HA ASP A 76 8.183 -2.424 -6.578 1.00 0.34 H new ATOM 0 HB2 ASP A 76 7.054 -1.502 -8.548 1.00 0.45 H new ATOM 0 HB3 ASP A 76 7.089 0.107 -7.855 1.00 0.45 H new ATOM 1143 N LEU A 77 7.926 0.442 -5.002 1.00 0.32 N ATOM 1144 CA LEU A 77 8.613 1.361 -4.112 1.00 0.36 C ATOM 1145 C LEU A 77 9.164 0.617 -2.894 1.00 0.34 C ATOM 1146 O LEU A 77 10.332 0.783 -2.539 1.00 0.40 O ATOM 1147 CB LEU A 77 7.648 2.519 -3.708 1.00 0.41 C ATOM 1148 CG LEU A 77 8.176 3.649 -2.780 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.316 3.215 -1.330 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.490 4.189 -3.293 1.00 1.35 C ATOM 0 H LEU A 77 6.931 0.635 -5.115 1.00 0.32 H new ATOM 0 HA LEU A 77 9.466 1.801 -4.628 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.292 2.986 -4.626 1.00 0.41 H new ATOM 0 HB3 LEU A 77 6.782 2.071 -3.221 1.00 0.41 H new ATOM 0 HG LEU A 77 7.425 4.439 -2.801 1.00 0.53 H new ATOM 0 HD11 LEU A 77 8.689 4.049 -0.735 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.344 2.903 -0.948 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.016 2.382 -1.266 1.00 0.94 H new ATOM 0 HD21 LEU A 77 9.843 4.979 -2.630 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.226 3.386 -3.324 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.351 4.593 -4.296 1.00 1.35 H new ATOM 1162 N ILE A 78 8.345 -0.236 -2.301 1.00 0.30 N ATOM 1163 CA ILE A 78 8.738 -0.965 -1.101 1.00 0.32 C ATOM 1164 C ILE A 78 9.898 -1.886 -1.423 1.00 0.33 C ATOM 1165 O ILE A 78 10.952 -1.809 -0.794 1.00 0.39 O ATOM 1166 CB ILE A 78 7.562 -1.803 -0.528 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.368 -0.902 -0.180 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.014 -2.588 0.709 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.679 0.172 0.848 1.00 0.42 C ATOM 0 H ILE A 78 7.402 -0.443 -2.630 1.00 0.30 H new ATOM 0 HA ILE A 78 9.033 -0.234 -0.348 1.00 0.32 H new ATOM 0 HB ILE A 78 7.246 -2.511 -1.294 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.010 -0.424 -1.092 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.555 -1.524 0.195 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.177 -3.169 1.097 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.827 -3.260 0.436 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.359 -1.893 1.475 1.00 0.38 H new ATOM 0 HD11 ILE A 78 5.784 0.764 1.038 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.007 -0.297 1.776 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.469 0.820 0.469 1.00 0.42 H new ATOM 1181 N ASN A 79 9.719 -2.728 -2.421 1.00 0.33 N ATOM 1182 CA ASN A 79 10.765 -3.672 -2.828 1.00 0.38 C ATOM 1183 C ASN A 79 12.011 -2.952 -3.314 1.00 0.38 C ATOM 1184 O ASN A 79 13.120 -3.439 -3.149 1.00 0.42 O ATOM 1185 CB ASN A 79 10.259 -4.648 -3.885 1.00 0.46 C ATOM 1186 CG ASN A 79 9.224 -5.605 -3.340 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.266 -5.971 -2.170 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.290 -5.999 -4.162 1.00 0.82 N ATOM 0 H ASN A 79 8.862 -2.785 -2.971 1.00 0.33 H new ATOM 0 HA ASN A 79 11.035 -4.247 -1.942 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.830 -4.088 -4.716 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.100 -5.216 -4.283 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.560 -6.634 -3.838 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.290 -5.672 -5.128 1.00 0.82 H new ATOM 1195 N GLY A 80 11.821 -1.769 -3.873 1.00 0.38 N ATOM 1196 CA GLY A 80 12.930 -0.954 -4.315 1.00 0.46 C ATOM 1197 C GLY A 80 13.728 -0.434 -3.139 1.00 0.50 C ATOM 1198 O GLY A 80 14.958 -0.390 -3.179 1.00 0.62 O ATOM 0 H GLY A 80 10.903 -1.354 -4.030 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.578 -1.539 -4.967 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.557 -0.116 -4.904 1.00 0.46 H new ATOM 1202 N ALA A 81 13.036 -0.054 -2.088 1.00 0.47 N ATOM 1203 CA ALA A 81 13.681 0.410 -0.877 1.00 0.57 C ATOM 1204 C ALA A 81 14.315 -0.769 -0.131 1.00 0.62 C ATOM 1205 O ALA A 81 15.350 -0.623 0.522 1.00 0.80 O ATOM 1206 CB ALA A 81 12.693 1.157 0.005 1.00 0.59 C ATOM 0 H ALA A 81 12.017 -0.057 -2.047 1.00 0.47 H new ATOM 0 HA ALA A 81 14.475 1.107 -1.146 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.198 1.497 0.909 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.300 2.017 -0.537 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.872 0.493 0.275 1.00 0.59 H new ATOM 1212 N LEU A 82 13.692 -1.935 -0.243 1.00 0.54 N ATOM 1213 CA LEU A 82 14.222 -3.171 0.341 1.00 0.61 C ATOM 1214 C LEU A 82 15.472 -3.620 -0.409 1.00 0.74 C ATOM 1215 O LEU A 82 16.385 -4.193 0.167 1.00 0.89 O ATOM 1216 CB LEU A 82 13.165 -4.286 0.326 1.00 0.54 C ATOM 1217 CG LEU A 82 11.928 -4.059 1.199 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.924 -5.177 1.000 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.320 -3.961 2.668 1.00 0.68 C ATOM 0 H LEU A 82 12.808 -2.056 -0.738 1.00 0.54 H new ATOM 0 HA LEU A 82 14.487 -2.967 1.378 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.836 -4.432 -0.703 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.642 -5.214 0.642 1.00 0.54 H new ATOM 0 HG LEU A 82 11.467 -3.118 0.898 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.052 -4.999 1.629 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.618 -5.209 -0.046 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.380 -6.128 1.274 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.428 -3.800 3.273 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.806 -4.886 2.978 1.00 0.68 H new ATOM 0 HD23 LEU A 82 13.008 -3.127 2.806 1.00 0.68 H new ATOM 1231 N ALA A 83 15.506 -3.346 -1.704 1.00 0.83 N ATOM 1232 CA ALA A 83 16.667 -3.638 -2.546 1.00 1.07 C ATOM 1233 C ALA A 83 17.875 -2.810 -2.119 1.00 1.28 C ATOM 1234 O ALA A 83 19.024 -3.195 -2.350 1.00 1.46 O ATOM 1235 CB ALA A 83 16.347 -3.381 -4.006 1.00 1.27 C ATOM 0 H ALA A 83 14.730 -2.914 -2.206 1.00 0.83 H new ATOM 0 HA ALA A 83 16.913 -4.693 -2.422 1.00 1.07 H new ATOM 0 HB1 ALA A 83 17.223 -3.604 -4.615 1.00 1.27 H new ATOM 0 HB2 ALA A 83 15.519 -4.019 -4.315 1.00 1.27 H new ATOM 0 HB3 ALA A 83 16.069 -2.335 -4.139 1.00 1.27 H new ATOM 1241 N GLU A 84 17.607 -1.680 -1.491 1.00 1.34 N ATOM 1242 CA GLU A 84 18.649 -0.794 -1.004 1.00 1.64 C ATOM 1243 C GLU A 84 19.170 -1.323 0.344 1.00 1.75 C ATOM 1244 O GLU A 84 20.268 -1.003 0.774 1.00 2.12 O ATOM 1245 CB GLU A 84 18.079 0.627 -0.835 1.00 1.67 C ATOM 1246 CG GLU A 84 19.112 1.707 -0.525 1.00 1.99 C ATOM 1247 CD GLU A 84 20.033 1.997 -1.692 1.00 2.14 C ATOM 1248 OE1 GLU A 84 21.104 1.331 -1.794 1.00 2.25 O ATOM 1249 OE2 GLU A 84 19.715 2.870 -2.533 1.00 2.82 O ATOM 0 H GLU A 84 16.660 -1.350 -1.304 1.00 1.34 H new ATOM 0 HA GLU A 84 19.472 -0.759 -1.718 1.00 1.64 H new ATOM 0 HB2 GLU A 84 17.553 0.901 -1.749 1.00 1.67 H new ATOM 0 HB3 GLU A 84 17.340 0.612 -0.034 1.00 1.67 H new ATOM 0 HG2 GLU A 84 18.596 2.624 -0.240 1.00 1.99 H new ATOM 0 HG3 GLU A 84 19.708 1.396 0.333 1.00 1.99 H new ATOM 1256 N ALA A 85 18.377 -2.154 0.987 1.00 1.60 N ATOM 1257 CA ALA A 85 18.742 -2.717 2.267 1.00 1.87 C ATOM 1258 C ALA A 85 19.806 -3.783 2.076 1.00 2.41 C ATOM 1259 O ALA A 85 19.602 -4.755 1.335 1.00 2.97 O ATOM 1260 CB ALA A 85 17.522 -3.299 2.965 1.00 2.27 C ATOM 0 H ALA A 85 17.467 -2.456 0.639 1.00 1.60 H new ATOM 0 HA ALA A 85 19.145 -1.924 2.897 1.00 1.87 H new ATOM 0 HB1 ALA A 85 17.818 -3.718 3.927 1.00 2.27 H new ATOM 0 HB2 ALA A 85 16.784 -2.513 3.123 1.00 2.27 H new ATOM 0 HB3 ALA A 85 17.088 -4.084 2.346 1.00 2.27 H new ATOM 1266 N ALA A 86 20.926 -3.590 2.699 1.00 2.92 N ATOM 1267 CA ALA A 86 22.032 -4.507 2.617 1.00 3.83 C ATOM 1268 C ALA A 86 22.056 -5.389 3.854 1.00 4.59 C ATOM 1269 O ALA A 86 21.886 -6.619 3.714 1.00 5.16 O ATOM 1270 CB ALA A 86 23.339 -3.753 2.447 1.00 4.34 C ATOM 1271 OXT ALA A 86 22.123 -4.841 4.990 1.00 4.98 O ATOM 0 H ALA A 86 21.106 -2.779 3.290 1.00 2.92 H new ATOM 0 HA ALA A 86 21.908 -5.145 1.742 1.00 3.83 H new ATOM 0 HB1 ALA A 86 24.164 -4.463 2.387 1.00 4.34 H new ATOM 0 HB2 ALA A 86 23.302 -3.162 1.532 1.00 4.34 H new ATOM 0 HB3 ALA A 86 23.491 -3.092 3.300 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -6.681 12.797 2.105 1.00 1.09 P HETATM 1279 O26 SXH A 87 -7.764 13.830 1.644 1.00 1.22 O HETATM 1280 O23 SXH A 87 -7.100 11.730 3.134 1.00 1.42 O HETATM 1281 O27 SXH A 87 -5.471 13.631 2.656 1.00 1.10 O HETATM 1282 C28 SXH A 87 -4.392 12.966 3.410 1.00 1.13 C HETATM 1283 C29 SXH A 87 -3.183 13.881 3.656 1.00 1.27 C HETATM 1284 C30 SXH A 87 -2.243 13.096 4.538 1.00 1.36 C HETATM 1285 C31 SXH A 87 -2.484 14.170 2.330 1.00 1.28 C HETATM 1286 C32 SXH A 87 -3.626 15.253 4.353 1.00 1.57 C HETATM 1287 O33 SXH A 87 -4.296 16.086 3.398 1.00 1.62 O HETATM 1288 C34 SXH A 87 -2.420 16.065 4.821 1.00 1.82 C HETATM 1289 O35 SXH A 87 -1.965 16.965 4.102 1.00 2.00 O HETATM 1290 N36 SXH A 87 -1.945 15.778 6.009 1.00 1.99 N HETATM 1291 C37 SXH A 87 -0.824 16.438 6.653 1.00 2.29 C HETATM 1292 C38 SXH A 87 -0.486 15.830 8.019 1.00 2.49 C HETATM 1293 C39 SXH A 87 0.269 14.489 7.997 1.00 2.41 C HETATM 1294 O40 SXH A 87 0.224 13.716 8.958 1.00 2.91 O HETATM 1295 N41 SXH A 87 0.977 14.233 6.916 1.00 2.12 N HETATM 1296 C42 SXH A 87 1.767 13.018 6.753 1.00 2.36 C HETATM 1297 C43 SXH A 87 2.131 12.740 5.314 1.00 2.13 C HETATM 1298 S1 SXH A 87 3.340 11.507 5.301 1.00 1.95 S HETATM 1299 C1 SXH A 87 3.621 11.395 3.586 1.00 1.93 C HETATM 1300 O1 SXH A 87 4.749 11.516 3.071 1.00 2.69 O HETATM 1301 C2 SXH A 87 2.408 11.022 2.745 1.00 1.85 C HETATM 1302 C3 SXH A 87 2.182 11.960 1.568 1.00 2.13 C HETATM 1303 C4 SXH A 87 1.072 11.459 0.648 1.00 2.00 C HETATM 1304 C5 SXH A 87 -0.255 11.308 1.374 1.00 2.32 C HETATM 1305 C6 SXH A 87 -1.293 10.777 0.417 1.00 2.32 C HETATM 0 HO33 SXH A 87 -4.896 15.538 2.850 1.00 1.62 H new HETATM 0 HN41 SXH A 87 0.972 14.916 6.158 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -2.403 15.026 6.525 1.00 1.99 H new HETATM 0 H43A SXH A 87 1.253 12.419 4.753 1.00 2.13 H new HETATM 0 H42A SXH A 87 2.680 13.103 7.343 1.00 2.36 H new HETATM 0 H38A SXH A 87 0.112 16.551 8.577 1.00 2.49 H new HETATM 0 H37A SXH A 87 0.050 16.375 6.005 1.00 2.29 H new HETATM 0 H31B SXH A 87 -2.146 13.234 1.885 1.00 1.28 H new HETATM 0 H31A SXH A 87 -3.180 14.663 1.652 1.00 1.28 H new HETATM 0 H30B SXH A 87 -2.745 12.846 5.473 1.00 1.36 H new HETATM 0 H30A SXH A 87 -1.947 12.179 4.029 1.00 1.36 H new HETATM 0 H28A SXH A 87 -4.783 12.623 4.368 1.00 1.13 H new HETATM 0 H6B SXH A 87 -1.411 11.472 -0.414 1.00 2.32 H new HETATM 0 H6A SXH A 87 -0.974 9.807 0.036 1.00 2.32 H new HETATM 0 H6 SXH A 87 -2.245 10.668 0.936 1.00 2.32 H new HETATM 0 H5A SXH A 87 -0.144 10.630 2.220 1.00 2.32 H new HETATM 0 H5 SXH A 87 -0.573 12.270 1.776 1.00 2.32 H new HETATM 0 H4A SXH A 87 0.952 12.153 -0.184 1.00 2.00 H new HETATM 0 H43 SXH A 87 2.503 13.645 4.833 1.00 2.13 H new HETATM 0 H42 SXH A 87 1.208 12.171 7.151 1.00 2.36 H new HETATM 0 H4 SXH A 87 1.362 10.498 0.222 1.00 2.00 H new HETATM 0 H3A SXH A 87 1.926 12.953 1.938 1.00 2.13 H new HETATM 0 H38 SXH A 87 -1.415 15.691 8.572 1.00 2.49 H new HETATM 0 H37 SXH A 87 -1.053 17.496 6.777 1.00 2.29 H new HETATM 0 H32 SXH A 87 -4.261 14.981 5.196 1.00 1.57 H new HETATM 0 H31 SXH A 87 -1.626 14.819 2.505 1.00 1.28 H new HETATM 0 H30 SXH A 87 -1.358 13.695 4.751 1.00 1.36 H new HETATM 0 H3 SXH A 87 3.107 12.060 1.000 1.00 2.13 H new HETATM 0 H2A SXH A 87 2.531 10.005 2.372 1.00 1.85 H new HETATM 0 H28 SXH A 87 -4.066 12.081 2.864 1.00 1.13 H new HETATM 0 H2 SXH A 87 1.521 11.024 3.378 1.00 1.85 H new