USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 651 hydrogens (22 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.28 (180deg=1.19) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 98:sc= 1.24 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 78:sc= 1.2 USER MOD Single : A 40 TYR OH : rot -148:sc= -1.67! USER MOD Single : A 46 MET CE :methyl -114:sc= -1.88 (180deg=-2.93!) USER MOD Single : A 48 THR OG1 : rot 67:sc= 0.053 USER MOD Single : A 54 SER OG : rot 85:sc= 0.701 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -63:sc= 0.342 USER MOD Single : A 79 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.34) USER MOD Single : A 87 SXM O33 : rot 160:sc= -0.0876 USER MOD Single : A 87 SXM O3B : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.324 -3.144 -3.219 1.00 5.03 N ATOM 2 CA MET A 1 -19.766 -3.911 -2.122 1.00 4.76 C ATOM 3 C MET A 1 -18.279 -3.713 -2.081 1.00 3.89 C ATOM 4 O MET A 1 -17.595 -3.778 -3.106 1.00 4.03 O ATOM 5 CB MET A 1 -20.115 -5.405 -2.258 1.00 5.45 C ATOM 6 CG MET A 1 -19.608 -6.277 -1.117 1.00 5.99 C ATOM 7 SD MET A 1 -20.073 -8.009 -1.309 1.00 6.77 S ATOM 8 CE MET A 1 -19.330 -8.713 0.170 1.00 7.41 C ATOM 0 H1 MET A 1 -21.344 -3.333 -3.291 1.00 5.03 H new ATOM 0 H2 MET A 1 -20.171 -2.130 -3.047 1.00 5.03 H new ATOM 0 H3 MET A 1 -19.858 -3.418 -4.107 1.00 5.03 H new ATOM 0 HA MET A 1 -20.200 -3.557 -1.187 1.00 4.76 H new ATOM 0 HB2 MET A 1 -21.198 -5.508 -2.324 1.00 5.45 H new ATOM 0 HB3 MET A 1 -19.702 -5.778 -3.195 1.00 5.45 H new ATOM 0 HG2 MET A 1 -18.522 -6.200 -1.061 1.00 5.99 H new ATOM 0 HG3 MET A 1 -20.004 -5.901 -0.174 1.00 5.99 H new ATOM 0 HE1 MET A 1 -19.528 -9.784 0.202 1.00 7.41 H new ATOM 0 HE2 MET A 1 -18.253 -8.543 0.153 1.00 7.41 H new ATOM 0 HE3 MET A 1 -19.758 -8.239 1.053 1.00 7.41 H new ATOM 20 N ALA A 2 -17.785 -3.466 -0.901 1.00 3.31 N ATOM 21 CA ALA A 2 -16.403 -3.197 -0.679 1.00 2.65 C ATOM 22 C ALA A 2 -15.601 -4.466 -0.663 1.00 1.95 C ATOM 23 O ALA A 2 -15.745 -5.284 0.243 1.00 2.26 O ATOM 24 CB ALA A 2 -16.226 -2.476 0.643 1.00 3.04 C ATOM 0 H ALA A 2 -18.349 -3.447 -0.051 1.00 3.31 H new ATOM 0 HA ALA A 2 -16.045 -2.570 -1.495 1.00 2.65 H new ATOM 0 HB1 ALA A 2 -15.168 -2.273 0.808 1.00 3.04 H new ATOM 0 HB2 ALA A 2 -16.777 -1.536 0.621 1.00 3.04 H new ATOM 0 HB3 ALA A 2 -16.606 -3.100 1.452 1.00 3.04 H new ATOM 30 N THR A 3 -14.809 -4.668 -1.669 1.00 1.57 N ATOM 31 CA THR A 3 -13.884 -5.747 -1.645 1.00 1.53 C ATOM 32 C THR A 3 -12.569 -5.182 -1.120 1.00 1.16 C ATOM 33 O THR A 3 -11.879 -4.420 -1.797 1.00 1.58 O ATOM 34 CB THR A 3 -13.723 -6.416 -3.062 1.00 2.24 C ATOM 35 OG1 THR A 3 -12.713 -7.438 -3.026 1.00 2.68 O ATOM 36 CG2 THR A 3 -13.394 -5.408 -4.168 1.00 3.11 C ATOM 0 H THR A 3 -14.787 -4.098 -2.515 1.00 1.57 H new ATOM 0 HA THR A 3 -14.240 -6.547 -0.996 1.00 1.53 H new ATOM 0 HB THR A 3 -14.690 -6.857 -3.303 1.00 2.24 H new ATOM 0 HG1 THR A 3 -12.627 -7.844 -3.914 1.00 2.68 H new ATOM 0 HG21 THR A 3 -13.296 -5.931 -5.119 1.00 3.11 H new ATOM 0 HG22 THR A 3 -14.195 -4.672 -4.239 1.00 3.11 H new ATOM 0 HG23 THR A 3 -12.457 -4.903 -3.933 1.00 3.11 H new ATOM 44 N LEU A 4 -12.265 -5.497 0.103 1.00 1.02 N ATOM 45 CA LEU A 4 -11.089 -4.976 0.736 1.00 0.75 C ATOM 46 C LEU A 4 -9.876 -5.692 0.216 1.00 0.71 C ATOM 47 O LEU A 4 -9.945 -6.880 -0.114 1.00 0.97 O ATOM 48 CB LEU A 4 -11.189 -5.113 2.253 1.00 0.70 C ATOM 49 CG LEU A 4 -12.413 -4.468 2.902 1.00 0.76 C ATOM 50 CD1 LEU A 4 -12.395 -4.674 4.403 1.00 1.20 C ATOM 51 CD2 LEU A 4 -12.513 -2.984 2.559 1.00 1.38 C ATOM 0 H LEU A 4 -12.822 -6.119 0.689 1.00 1.02 H new ATOM 0 HA LEU A 4 -11.000 -3.915 0.501 1.00 0.75 H new ATOM 0 HB2 LEU A 4 -11.185 -6.174 2.504 1.00 0.70 H new ATOM 0 HB3 LEU A 4 -10.294 -4.677 2.698 1.00 0.70 H new ATOM 0 HG LEU A 4 -13.298 -4.959 2.498 1.00 0.76 H new ATOM 0 HD11 LEU A 4 -13.275 -4.207 4.845 1.00 1.20 H new ATOM 0 HD12 LEU A 4 -12.401 -5.741 4.624 1.00 1.20 H new ATOM 0 HD13 LEU A 4 -11.496 -4.222 4.822 1.00 1.20 H new ATOM 0 HD21 LEU A 4 -13.395 -2.559 3.038 1.00 1.38 H new ATOM 0 HD22 LEU A 4 -11.622 -2.467 2.916 1.00 1.38 H new ATOM 0 HD23 LEU A 4 -12.593 -2.865 1.479 1.00 1.38 H new ATOM 63 N LEU A 5 -8.784 -4.973 0.108 1.00 0.58 N ATOM 64 CA LEU A 5 -7.560 -5.536 -0.383 1.00 0.50 C ATOM 65 C LEU A 5 -7.057 -6.588 0.575 1.00 0.43 C ATOM 66 O LEU A 5 -6.883 -6.322 1.774 1.00 0.50 O ATOM 67 CB LEU A 5 -6.503 -4.434 -0.629 1.00 0.47 C ATOM 68 CG LEU A 5 -6.846 -3.429 -1.709 1.00 0.53 C ATOM 69 CD1 LEU A 5 -5.728 -2.422 -1.863 1.00 0.72 C ATOM 70 CD2 LEU A 5 -7.102 -4.138 -3.009 1.00 0.97 C ATOM 0 H LEU A 5 -8.724 -3.986 0.358 1.00 0.58 H new ATOM 0 HA LEU A 5 -7.751 -6.015 -1.343 1.00 0.50 H new ATOM 0 HB2 LEU A 5 -6.341 -3.896 0.305 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -5.559 -4.913 -0.889 1.00 0.47 H new ATOM 0 HG LEU A 5 -7.751 -2.895 -1.420 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.988 -1.706 -2.643 1.00 0.72 H new ATOM 0 HD12 LEU A 5 -5.581 -1.895 -0.920 1.00 0.72 H new ATOM 0 HD13 LEU A 5 -4.808 -2.939 -2.137 1.00 0.72 H new ATOM 0 HD21 LEU A 5 -7.348 -3.407 -3.780 1.00 0.97 H new ATOM 0 HD22 LEU A 5 -6.210 -4.690 -3.304 1.00 0.97 H new ATOM 0 HD23 LEU A 5 -7.934 -4.831 -2.888 1.00 0.97 H new ATOM 82 N THR A 6 -6.863 -7.780 0.073 1.00 0.40 N ATOM 83 CA THR A 6 -6.392 -8.857 0.882 1.00 0.44 C ATOM 84 C THR A 6 -4.905 -8.706 1.091 1.00 0.46 C ATOM 85 O THR A 6 -4.304 -7.746 0.588 1.00 0.49 O ATOM 86 CB THR A 6 -6.711 -10.216 0.246 1.00 0.54 C ATOM 87 OG1 THR A 6 -6.155 -10.259 -1.078 1.00 0.63 O ATOM 88 CG2 THR A 6 -8.217 -10.433 0.177 1.00 0.56 C ATOM 0 H THR A 6 -7.028 -8.024 -0.904 1.00 0.40 H new ATOM 0 HA THR A 6 -6.903 -8.821 1.844 1.00 0.44 H new ATOM 0 HB THR A 6 -6.275 -11.006 0.857 1.00 0.54 H new ATOM 0 HG1 THR A 6 -6.354 -11.126 -1.489 1.00 0.63 H new ATOM 0 HG21 THR A 6 -8.425 -11.402 -0.277 1.00 0.56 H new ATOM 0 HG22 THR A 6 -8.635 -10.407 1.183 1.00 0.56 H new ATOM 0 HG23 THR A 6 -8.671 -9.646 -0.425 1.00 0.56 H new ATOM 96 N THR A 7 -4.286 -9.639 1.750 1.00 0.49 N ATOM 97 CA THR A 7 -2.901 -9.488 2.007 1.00 0.51 C ATOM 98 C THR A 7 -2.085 -9.874 0.780 1.00 0.46 C ATOM 99 O THR A 7 -1.033 -9.321 0.551 1.00 0.47 O ATOM 100 CB THR A 7 -2.466 -10.257 3.261 1.00 0.64 C ATOM 101 OG1 THR A 7 -3.396 -9.935 4.320 1.00 1.09 O ATOM 102 CG2 THR A 7 -1.076 -9.819 3.693 1.00 0.92 C ATOM 0 H THR A 7 -4.714 -10.492 2.109 1.00 0.49 H new ATOM 0 HA THR A 7 -2.707 -8.435 2.214 1.00 0.51 H new ATOM 0 HB THR A 7 -2.453 -11.326 3.051 1.00 0.64 H new ATOM 0 HG1 THR A 7 -3.142 -10.416 5.136 1.00 1.09 H new ATOM 0 HG21 THR A 7 -0.780 -10.373 4.584 1.00 0.92 H new ATOM 0 HG22 THR A 7 -0.366 -10.018 2.890 1.00 0.92 H new ATOM 0 HG23 THR A 7 -1.083 -8.752 3.915 1.00 0.92 H new ATOM 110 N ASP A 8 -2.631 -10.745 -0.064 1.00 0.51 N ATOM 111 CA ASP A 8 -1.908 -11.138 -1.269 1.00 0.54 C ATOM 112 C ASP A 8 -2.012 -10.073 -2.333 1.00 0.50 C ATOM 113 O ASP A 8 -1.003 -9.679 -2.901 1.00 0.52 O ATOM 114 CB ASP A 8 -2.353 -12.483 -1.837 1.00 0.69 C ATOM 115 CG ASP A 8 -1.559 -12.851 -3.092 1.00 1.24 C ATOM 116 OD1 ASP A 8 -0.390 -13.279 -2.970 1.00 1.37 O ATOM 117 OD2 ASP A 8 -2.067 -12.719 -4.203 1.00 2.13 O ATOM 0 H ASP A 8 -3.545 -11.181 0.058 1.00 0.51 H new ATOM 0 HA ASP A 8 -0.868 -11.252 -0.963 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -2.223 -13.259 -1.082 1.00 0.69 H new ATOM 0 HB3 ASP A 8 -3.416 -12.445 -2.076 1.00 0.69 H new ATOM 122 N ASP A 9 -3.229 -9.572 -2.566 1.00 0.50 N ATOM 123 CA ASP A 9 -3.468 -8.544 -3.598 1.00 0.55 C ATOM 124 C ASP A 9 -2.653 -7.293 -3.283 1.00 0.47 C ATOM 125 O ASP A 9 -2.011 -6.701 -4.170 1.00 0.49 O ATOM 126 CB ASP A 9 -4.961 -8.197 -3.697 1.00 0.69 C ATOM 127 CG ASP A 9 -5.280 -7.317 -4.894 1.00 1.11 C ATOM 128 OD1 ASP A 9 -5.565 -7.861 -5.998 1.00 1.24 O ATOM 129 OD2 ASP A 9 -5.259 -6.091 -4.775 1.00 1.94 O ATOM 0 H ASP A 9 -4.066 -9.857 -2.058 1.00 0.50 H new ATOM 0 HA ASP A 9 -3.152 -8.944 -4.561 1.00 0.55 H new ATOM 0 HB2 ASP A 9 -5.540 -9.118 -3.764 1.00 0.69 H new ATOM 0 HB3 ASP A 9 -5.273 -7.689 -2.784 1.00 0.69 H new ATOM 134 N LEU A 10 -2.648 -6.934 -2.000 1.00 0.43 N ATOM 135 CA LEU A 10 -1.851 -5.826 -1.486 1.00 0.41 C ATOM 136 C LEU A 10 -0.369 -6.112 -1.703 1.00 0.37 C ATOM 137 O LEU A 10 0.348 -5.302 -2.281 1.00 0.42 O ATOM 138 CB LEU A 10 -2.138 -5.651 0.021 1.00 0.44 C ATOM 139 CG LEU A 10 -1.289 -4.637 0.795 1.00 0.57 C ATOM 140 CD1 LEU A 10 -1.500 -3.236 0.273 1.00 0.83 C ATOM 141 CD2 LEU A 10 -1.603 -4.707 2.281 1.00 0.79 C ATOM 0 H LEU A 10 -3.201 -7.408 -1.286 1.00 0.43 H new ATOM 0 HA LEU A 10 -2.114 -4.910 -2.015 1.00 0.41 H new ATOM 0 HB2 LEU A 10 -3.184 -5.367 0.132 1.00 0.44 H new ATOM 0 HB3 LEU A 10 -2.019 -6.623 0.500 1.00 0.44 H new ATOM 0 HG LEU A 10 -0.240 -4.893 0.648 1.00 0.57 H new ATOM 0 HD11 LEU A 10 -0.884 -2.539 0.842 1.00 0.83 H new ATOM 0 HD12 LEU A 10 -1.218 -3.193 -0.779 1.00 0.83 H new ATOM 0 HD13 LEU A 10 -2.550 -2.963 0.379 1.00 0.83 H new ATOM 0 HD21 LEU A 10 -0.992 -3.981 2.817 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -2.657 -4.482 2.441 1.00 0.79 H new ATOM 0 HD23 LEU A 10 -1.385 -5.708 2.652 1.00 0.79 H new ATOM 153 N ARG A 11 0.055 -7.289 -1.262 1.00 0.36 N ATOM 154 CA ARG A 11 1.437 -7.732 -1.354 1.00 0.37 C ATOM 155 C ARG A 11 1.949 -7.682 -2.777 1.00 0.37 C ATOM 156 O ARG A 11 2.945 -7.068 -3.024 1.00 0.37 O ATOM 157 CB ARG A 11 1.568 -9.151 -0.798 1.00 0.40 C ATOM 158 CG ARG A 11 2.951 -9.743 -0.867 1.00 0.50 C ATOM 159 CD ARG A 11 2.991 -11.105 -0.200 1.00 0.59 C ATOM 160 NE ARG A 11 2.078 -12.085 -0.813 1.00 0.96 N ATOM 161 CZ ARG A 11 1.904 -13.347 -0.366 1.00 1.40 C ATOM 162 NH1 ARG A 11 2.483 -13.745 0.757 1.00 1.74 N ATOM 163 NH2 ARG A 11 1.100 -14.164 -1.010 1.00 2.00 N ATOM 0 H ARG A 11 -0.563 -7.972 -0.824 1.00 0.36 H new ATOM 0 HA ARG A 11 2.045 -7.050 -0.760 1.00 0.37 H new ATOM 0 HB2 ARG A 11 1.243 -9.147 0.243 1.00 0.40 H new ATOM 0 HB3 ARG A 11 0.884 -9.802 -1.343 1.00 0.40 H new ATOM 0 HG2 ARG A 11 3.260 -9.834 -1.908 1.00 0.50 H new ATOM 0 HG3 ARG A 11 3.662 -9.075 -0.381 1.00 0.50 H new ATOM 0 HD2 ARG A 11 4.009 -11.492 -0.243 1.00 0.59 H new ATOM 0 HD3 ARG A 11 2.737 -10.993 0.854 1.00 0.59 H new ATOM 0 HE ARG A 11 1.542 -11.791 -1.629 1.00 0.96 H new ATOM 0 HH11 ARG A 11 3.064 -13.097 1.289 1.00 1.74 H new ATOM 0 HH12 ARG A 11 2.348 -14.700 1.090 1.00 1.74 H new ATOM 0 HH21 ARG A 11 0.610 -13.844 -1.845 1.00 2.00 H new ATOM 0 HH22 ARG A 11 0.967 -15.118 -0.675 1.00 2.00 H new ATOM 177 N ARG A 12 1.221 -8.292 -3.707 1.00 0.39 N ATOM 178 CA ARG A 12 1.654 -8.385 -5.114 1.00 0.42 C ATOM 179 C ARG A 12 1.977 -7.016 -5.690 1.00 0.42 C ATOM 180 O ARG A 12 3.065 -6.803 -6.236 1.00 0.49 O ATOM 181 CB ARG A 12 0.599 -9.097 -5.973 1.00 0.52 C ATOM 182 CG ARG A 12 0.310 -10.526 -5.538 1.00 1.15 C ATOM 183 CD ARG A 12 1.535 -11.405 -5.673 1.00 1.30 C ATOM 184 NE ARG A 12 1.343 -12.743 -5.109 1.00 1.59 N ATOM 185 CZ ARG A 12 2.213 -13.740 -5.273 1.00 2.08 C ATOM 186 NH1 ARG A 12 3.317 -13.532 -5.986 1.00 2.14 N ATOM 187 NH2 ARG A 12 1.978 -14.939 -4.745 1.00 2.82 N ATOM 0 H ARG A 12 0.322 -8.735 -3.519 1.00 0.39 H new ATOM 0 HA ARG A 12 2.567 -8.980 -5.132 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -0.328 -8.524 -5.942 1.00 0.52 H new ATOM 0 HB3 ARG A 12 0.934 -9.104 -7.010 1.00 0.52 H new ATOM 0 HG2 ARG A 12 -0.030 -10.531 -4.502 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -0.501 -10.934 -6.142 1.00 1.15 H new ATOM 0 HD2 ARG A 12 1.797 -11.495 -6.727 1.00 1.30 H new ATOM 0 HD3 ARG A 12 2.377 -10.924 -5.175 1.00 1.30 H new ATOM 0 HE ARG A 12 0.500 -12.921 -4.563 1.00 1.59 H new ATOM 0 HH11 ARG A 12 3.491 -12.617 -6.401 1.00 2.14 H new ATOM 0 HH12 ARG A 12 3.989 -14.288 -6.118 1.00 2.14 H new ATOM 0 HH21 ARG A 12 1.126 -15.102 -4.209 1.00 2.82 H new ATOM 0 HH22 ARG A 12 2.650 -15.695 -4.877 1.00 2.82 H new ATOM 201 N ALA A 13 1.067 -6.080 -5.489 1.00 0.41 N ATOM 202 CA ALA A 13 1.243 -4.727 -5.979 1.00 0.47 C ATOM 203 C ALA A 13 2.380 -4.029 -5.234 1.00 0.43 C ATOM 204 O ALA A 13 3.197 -3.345 -5.844 1.00 0.48 O ATOM 205 CB ALA A 13 -0.051 -3.943 -5.841 1.00 0.55 C ATOM 0 H ALA A 13 0.193 -6.235 -4.986 1.00 0.41 H new ATOM 0 HA ALA A 13 1.507 -4.773 -7.036 1.00 0.47 H new ATOM 0 HB1 ALA A 13 0.096 -2.929 -6.213 1.00 0.55 H new ATOM 0 HB2 ALA A 13 -0.836 -4.431 -6.419 1.00 0.55 H new ATOM 0 HB3 ALA A 13 -0.344 -3.906 -4.792 1.00 0.55 H new ATOM 211 N LEU A 14 2.442 -4.244 -3.931 1.00 0.39 N ATOM 212 CA LEU A 14 3.457 -3.645 -3.069 1.00 0.40 C ATOM 213 C LEU A 14 4.855 -4.120 -3.487 1.00 0.39 C ATOM 214 O LEU A 14 5.788 -3.319 -3.637 1.00 0.46 O ATOM 215 CB LEU A 14 3.182 -4.046 -1.610 1.00 0.44 C ATOM 216 CG LEU A 14 4.006 -3.346 -0.540 1.00 0.43 C ATOM 217 CD1 LEU A 14 3.640 -1.879 -0.460 1.00 0.81 C ATOM 218 CD2 LEU A 14 3.822 -4.018 0.806 1.00 0.70 C ATOM 0 H LEU A 14 1.785 -4.844 -3.433 1.00 0.39 H new ATOM 0 HA LEU A 14 3.416 -2.560 -3.164 1.00 0.40 H new ATOM 0 HB2 LEU A 14 2.128 -3.864 -1.400 1.00 0.44 H new ATOM 0 HB3 LEU A 14 3.345 -5.120 -1.516 1.00 0.44 H new ATOM 0 HG LEU A 14 5.058 -3.422 -0.816 1.00 0.43 H new ATOM 0 HD11 LEU A 14 4.240 -1.396 0.311 1.00 0.81 H new ATOM 0 HD12 LEU A 14 3.833 -1.403 -1.421 1.00 0.81 H new ATOM 0 HD13 LEU A 14 2.583 -1.781 -0.212 1.00 0.81 H new ATOM 0 HD21 LEU A 14 4.421 -3.501 1.556 1.00 0.70 H new ATOM 0 HD22 LEU A 14 2.771 -3.980 1.091 1.00 0.70 H new ATOM 0 HD23 LEU A 14 4.142 -5.058 0.740 1.00 0.70 H new ATOM 230 N VAL A 15 4.969 -5.414 -3.698 1.00 0.38 N ATOM 231 CA VAL A 15 6.203 -6.064 -4.093 1.00 0.44 C ATOM 232 C VAL A 15 6.670 -5.561 -5.455 1.00 0.47 C ATOM 233 O VAL A 15 7.837 -5.150 -5.614 1.00 0.54 O ATOM 234 CB VAL A 15 6.030 -7.615 -4.136 1.00 0.51 C ATOM 235 CG1 VAL A 15 7.279 -8.290 -4.650 1.00 0.64 C ATOM 236 CG2 VAL A 15 5.712 -8.153 -2.761 1.00 0.55 C ATOM 0 H VAL A 15 4.187 -6.061 -3.597 1.00 0.38 H new ATOM 0 HA VAL A 15 6.958 -5.816 -3.347 1.00 0.44 H new ATOM 0 HB VAL A 15 5.204 -7.831 -4.814 1.00 0.51 H new ATOM 0 HG11 VAL A 15 7.128 -9.369 -4.668 1.00 0.64 H new ATOM 0 HG12 VAL A 15 7.495 -7.937 -5.658 1.00 0.64 H new ATOM 0 HG13 VAL A 15 8.117 -8.052 -3.995 1.00 0.64 H new ATOM 0 HG21 VAL A 15 5.595 -9.236 -2.812 1.00 0.55 H new ATOM 0 HG22 VAL A 15 6.525 -7.908 -2.077 1.00 0.55 H new ATOM 0 HG23 VAL A 15 4.786 -7.705 -2.400 1.00 0.55 H new ATOM 246 N GLU A 16 5.791 -5.595 -6.449 1.00 0.48 N ATOM 247 CA GLU A 16 6.181 -5.174 -7.781 1.00 0.58 C ATOM 248 C GLU A 16 6.512 -3.684 -7.842 1.00 0.59 C ATOM 249 O GLU A 16 7.439 -3.283 -8.540 1.00 0.74 O ATOM 250 CB GLU A 16 5.163 -5.578 -8.849 1.00 0.69 C ATOM 251 CG GLU A 16 3.798 -4.937 -8.750 1.00 1.08 C ATOM 252 CD GLU A 16 2.924 -5.379 -9.884 1.00 1.37 C ATOM 253 OE1 GLU A 16 3.012 -4.801 -10.988 1.00 1.75 O ATOM 254 OE2 GLU A 16 2.073 -6.271 -9.671 1.00 1.79 O ATOM 0 H GLU A 16 4.823 -5.904 -6.358 1.00 0.48 H new ATOM 0 HA GLU A 16 7.100 -5.713 -8.012 1.00 0.58 H new ATOM 0 HB2 GLU A 16 5.582 -5.342 -9.827 1.00 0.69 H new ATOM 0 HB3 GLU A 16 5.037 -6.660 -8.809 1.00 0.69 H new ATOM 0 HG2 GLU A 16 3.333 -5.203 -7.801 1.00 1.08 H new ATOM 0 HG3 GLU A 16 3.898 -3.852 -8.763 1.00 1.08 H new ATOM 261 N SER A 17 5.812 -2.884 -7.062 1.00 0.55 N ATOM 262 CA SER A 17 6.044 -1.450 -7.045 1.00 0.62 C ATOM 263 C SER A 17 7.301 -1.085 -6.242 1.00 0.66 C ATOM 264 O SER A 17 7.785 0.036 -6.323 1.00 0.81 O ATOM 265 CB SER A 17 4.835 -0.735 -6.480 1.00 0.66 C ATOM 266 OG SER A 17 3.661 -1.106 -7.189 1.00 1.19 O ATOM 0 H SER A 17 5.077 -3.201 -6.430 1.00 0.55 H new ATOM 0 HA SER A 17 6.206 -1.128 -8.074 1.00 0.62 H new ATOM 0 HB2 SER A 17 4.721 -0.979 -5.424 1.00 0.66 H new ATOM 0 HB3 SER A 17 4.980 0.343 -6.544 1.00 0.66 H new ATOM 0 HG SER A 17 3.184 -1.803 -6.691 1.00 1.19 H new ATOM 272 N ALA A 18 7.827 -2.039 -5.477 1.00 0.59 N ATOM 273 CA ALA A 18 9.042 -1.815 -4.690 1.00 0.69 C ATOM 274 C ALA A 18 10.254 -1.699 -5.595 1.00 0.94 C ATOM 275 O ALA A 18 11.254 -1.070 -5.254 1.00 1.31 O ATOM 276 CB ALA A 18 9.248 -2.936 -3.692 1.00 0.71 C ATOM 0 H ALA A 18 7.433 -2.975 -5.384 1.00 0.59 H new ATOM 0 HA ALA A 18 8.921 -0.879 -4.145 1.00 0.69 H new ATOM 0 HB1 ALA A 18 10.156 -2.750 -3.118 1.00 0.71 H new ATOM 0 HB2 ALA A 18 8.394 -2.983 -3.016 1.00 0.71 H new ATOM 0 HB3 ALA A 18 9.342 -3.883 -4.223 1.00 0.71 H new ATOM 282 N GLY A 19 10.154 -2.306 -6.736 1.00 0.84 N ATOM 283 CA GLY A 19 11.207 -2.292 -7.697 1.00 1.12 C ATOM 284 C GLY A 19 10.612 -2.472 -9.042 1.00 1.09 C ATOM 285 O GLY A 19 9.804 -1.654 -9.474 1.00 1.38 O ATOM 0 H GLY A 19 9.329 -2.830 -7.028 1.00 0.84 H new ATOM 0 HA2 GLY A 19 11.754 -1.351 -7.647 1.00 1.12 H new ATOM 0 HA3 GLY A 19 11.922 -3.088 -7.488 1.00 1.12 H new ATOM 289 N GLU A 20 10.944 -3.539 -9.689 1.00 1.07 N ATOM 290 CA GLU A 20 10.351 -3.841 -10.955 1.00 1.31 C ATOM 291 C GLU A 20 10.161 -5.331 -11.045 1.00 1.32 C ATOM 292 O GLU A 20 11.123 -6.074 -10.855 1.00 1.70 O ATOM 293 CB GLU A 20 11.227 -3.359 -12.103 1.00 1.70 C ATOM 294 CG GLU A 20 10.559 -3.511 -13.458 1.00 2.51 C ATOM 295 CD GLU A 20 11.434 -3.124 -14.610 1.00 3.05 C ATOM 296 OE1 GLU A 20 11.646 -1.914 -14.818 1.00 3.58 O ATOM 297 OE2 GLU A 20 11.974 -4.012 -15.296 1.00 3.30 O ATOM 0 H GLU A 20 11.627 -4.222 -9.362 1.00 1.07 H new ATOM 0 HA GLU A 20 9.393 -3.328 -11.034 1.00 1.31 H new ATOM 0 HB2 GLU A 20 11.482 -2.311 -11.944 1.00 1.70 H new ATOM 0 HB3 GLU A 20 12.162 -3.918 -12.100 1.00 1.70 H new ATOM 0 HG2 GLU A 20 10.246 -4.547 -13.584 1.00 2.51 H new ATOM 0 HG3 GLU A 20 9.656 -2.900 -13.478 1.00 2.51 H new ATOM 304 N THR A 21 8.925 -5.753 -11.297 1.00 1.59 N ATOM 305 CA THR A 21 8.573 -7.158 -11.451 1.00 1.78 C ATOM 306 C THR A 21 8.981 -7.935 -10.195 1.00 1.49 C ATOM 307 O THR A 21 9.967 -8.672 -10.193 1.00 1.79 O ATOM 308 CB THR A 21 9.253 -7.731 -12.712 1.00 2.25 C ATOM 309 OG1 THR A 21 8.939 -6.869 -13.831 1.00 2.61 O ATOM 310 CG2 THR A 21 8.773 -9.146 -13.023 1.00 2.75 C ATOM 0 H THR A 21 8.132 -5.120 -11.401 1.00 1.59 H new ATOM 0 HA THR A 21 7.494 -7.256 -11.574 1.00 1.78 H new ATOM 0 HB THR A 21 10.328 -7.775 -12.535 1.00 2.25 H new ATOM 0 HG1 THR A 21 9.365 -7.217 -14.642 1.00 2.61 H new ATOM 0 HG21 THR A 21 9.276 -9.512 -13.918 1.00 2.75 H new ATOM 0 HG22 THR A 21 9.004 -9.801 -12.183 1.00 2.75 H new ATOM 0 HG23 THR A 21 7.696 -9.136 -13.190 1.00 2.75 H new ATOM 318 N ASP A 22 8.252 -7.672 -9.117 1.00 1.18 N ATOM 319 CA ASP A 22 8.537 -8.228 -7.791 1.00 0.96 C ATOM 320 C ASP A 22 9.904 -7.760 -7.310 1.00 0.88 C ATOM 321 O ASP A 22 10.923 -8.444 -7.472 1.00 1.33 O ATOM 322 CB ASP A 22 8.410 -9.774 -7.721 1.00 1.20 C ATOM 323 CG ASP A 22 7.011 -10.287 -7.966 1.00 1.45 C ATOM 324 OD1 ASP A 22 6.559 -10.320 -9.131 1.00 2.09 O ATOM 325 OD2 ASP A 22 6.342 -10.710 -6.987 1.00 1.65 O ATOM 0 H ASP A 22 7.436 -7.060 -9.135 1.00 1.18 H new ATOM 0 HA ASP A 22 7.769 -7.846 -7.119 1.00 0.96 H new ATOM 0 HB2 ASP A 22 9.082 -10.217 -8.456 1.00 1.20 H new ATOM 0 HB3 ASP A 22 8.743 -10.112 -6.740 1.00 1.20 H new ATOM 330 N GLY A 23 9.928 -6.557 -6.768 1.00 0.62 N ATOM 331 CA GLY A 23 11.167 -5.948 -6.346 1.00 0.64 C ATOM 332 C GLY A 23 11.625 -6.439 -4.994 1.00 0.74 C ATOM 333 O GLY A 23 12.712 -6.974 -4.857 1.00 1.25 O ATOM 0 H GLY A 23 9.099 -5.984 -6.611 1.00 0.62 H new ATOM 0 HA2 GLY A 23 11.940 -6.157 -7.085 1.00 0.64 H new ATOM 0 HA3 GLY A 23 11.042 -4.866 -6.312 1.00 0.64 H new ATOM 337 N THR A 24 10.799 -6.250 -4.011 1.00 0.68 N ATOM 338 CA THR A 24 11.069 -6.683 -2.658 1.00 0.78 C ATOM 339 C THR A 24 9.839 -7.432 -2.187 1.00 0.70 C ATOM 340 O THR A 24 8.763 -6.852 -2.131 1.00 0.94 O ATOM 341 CB THR A 24 11.319 -5.444 -1.755 1.00 1.01 C ATOM 342 OG1 THR A 24 12.435 -4.691 -2.279 1.00 1.78 O ATOM 343 CG2 THR A 24 11.629 -5.860 -0.320 1.00 0.96 C ATOM 0 H THR A 24 9.899 -5.782 -4.120 1.00 0.68 H new ATOM 0 HA THR A 24 11.953 -7.319 -2.612 1.00 0.78 H new ATOM 0 HB THR A 24 10.415 -4.835 -1.751 1.00 1.01 H new ATOM 0 HG1 THR A 24 12.595 -3.907 -1.713 1.00 1.78 H new ATOM 0 HG21 THR A 24 11.799 -4.971 0.288 1.00 0.96 H new ATOM 0 HG22 THR A 24 10.788 -6.421 0.086 1.00 0.96 H new ATOM 0 HG23 THR A 24 12.522 -6.485 -0.307 1.00 0.96 H new ATOM 351 N ASP A 25 9.973 -8.731 -1.978 1.00 0.63 N ATOM 352 CA ASP A 25 8.834 -9.554 -1.589 1.00 0.57 C ATOM 353 C ASP A 25 8.567 -9.435 -0.103 1.00 0.74 C ATOM 354 O ASP A 25 9.481 -9.220 0.701 1.00 1.73 O ATOM 355 CB ASP A 25 9.013 -11.046 -1.976 1.00 0.66 C ATOM 356 CG ASP A 25 9.797 -11.876 -0.969 1.00 1.34 C ATOM 357 OD1 ASP A 25 11.057 -11.818 -0.976 1.00 1.86 O ATOM 358 OD2 ASP A 25 9.183 -12.561 -0.131 1.00 2.00 O ATOM 0 H ASP A 25 10.853 -9.239 -2.070 1.00 0.63 H new ATOM 0 HA ASP A 25 7.976 -9.174 -2.143 1.00 0.57 H new ATOM 0 HB2 ASP A 25 8.028 -11.494 -2.107 1.00 0.66 H new ATOM 0 HB3 ASP A 25 9.518 -11.099 -2.941 1.00 0.66 H new ATOM 363 N LEU A 26 7.318 -9.571 0.250 1.00 0.53 N ATOM 364 CA LEU A 26 6.875 -9.491 1.624 1.00 0.46 C ATOM 365 C LEU A 26 6.009 -10.692 1.888 1.00 0.60 C ATOM 366 O LEU A 26 4.850 -10.565 2.268 1.00 0.86 O ATOM 367 CB LEU A 26 6.039 -8.209 1.904 1.00 0.43 C ATOM 368 CG LEU A 26 6.711 -6.828 1.817 1.00 0.42 C ATOM 369 CD1 LEU A 26 7.993 -6.774 2.614 1.00 0.71 C ATOM 370 CD2 LEU A 26 6.908 -6.368 0.386 1.00 0.79 C ATOM 0 H LEU A 26 6.564 -9.743 -0.415 1.00 0.53 H new ATOM 0 HA LEU A 26 7.752 -9.458 2.271 1.00 0.46 H new ATOM 0 HB2 LEU A 26 5.201 -8.208 1.207 1.00 0.43 H new ATOM 0 HB3 LEU A 26 5.621 -8.305 2.906 1.00 0.43 H new ATOM 0 HG LEU A 26 6.022 -6.118 2.274 1.00 0.42 H new ATOM 0 HD11 LEU A 26 8.435 -5.782 2.525 1.00 0.71 H new ATOM 0 HD12 LEU A 26 7.779 -6.984 3.662 1.00 0.71 H new ATOM 0 HD13 LEU A 26 8.691 -7.518 2.231 1.00 0.71 H new ATOM 0 HD21 LEU A 26 7.386 -5.388 0.381 1.00 0.79 H new ATOM 0 HD22 LEU A 26 7.540 -7.082 -0.142 1.00 0.79 H new ATOM 0 HD23 LEU A 26 5.940 -6.302 -0.111 1.00 0.79 H new ATOM 382 N SER A 27 6.565 -11.859 1.698 1.00 0.69 N ATOM 383 CA SER A 27 5.797 -13.091 1.773 1.00 0.87 C ATOM 384 C SER A 27 5.494 -13.551 3.204 1.00 0.86 C ATOM 385 O SER A 27 4.726 -14.500 3.421 1.00 1.38 O ATOM 386 CB SER A 27 6.459 -14.166 0.933 1.00 1.31 C ATOM 387 OG SER A 27 6.729 -13.648 -0.369 1.00 1.77 O ATOM 0 H SER A 27 7.554 -11.991 1.488 1.00 0.69 H new ATOM 0 HA SER A 27 4.813 -12.884 1.353 1.00 0.87 H new ATOM 0 HB2 SER A 27 7.385 -14.494 1.406 1.00 1.31 H new ATOM 0 HB3 SER A 27 5.810 -15.039 0.862 1.00 1.31 H new ATOM 0 HG SER A 27 7.526 -13.078 -0.336 1.00 1.77 H new ATOM 393 N GLY A 28 6.041 -12.856 4.139 1.00 0.85 N ATOM 394 CA GLY A 28 5.815 -13.142 5.537 1.00 1.04 C ATOM 395 C GLY A 28 4.681 -12.306 6.072 1.00 0.98 C ATOM 396 O GLY A 28 3.568 -12.334 5.526 1.00 1.37 O ATOM 0 H GLY A 28 6.663 -12.066 3.968 1.00 0.85 H new ATOM 0 HA2 GLY A 28 5.586 -14.200 5.665 1.00 1.04 H new ATOM 0 HA3 GLY A 28 6.722 -12.941 6.106 1.00 1.04 H new ATOM 400 N ASP A 29 4.933 -11.543 7.102 1.00 0.88 N ATOM 401 CA ASP A 29 3.909 -10.671 7.650 1.00 0.85 C ATOM 402 C ASP A 29 4.473 -9.275 7.720 1.00 0.73 C ATOM 403 O ASP A 29 5.469 -9.042 8.400 1.00 0.93 O ATOM 404 CB ASP A 29 3.449 -11.133 9.028 1.00 1.08 C ATOM 405 CG ASP A 29 2.202 -10.410 9.465 1.00 1.69 C ATOM 406 OD1 ASP A 29 2.291 -9.330 10.067 1.00 2.15 O ATOM 407 OD2 ASP A 29 1.094 -10.914 9.183 1.00 2.39 O ATOM 0 H ASP A 29 5.832 -11.502 7.582 1.00 0.88 H new ATOM 0 HA ASP A 29 3.032 -10.697 7.003 1.00 0.85 H new ATOM 0 HB2 ASP A 29 3.261 -12.206 9.009 1.00 1.08 H new ATOM 0 HB3 ASP A 29 4.244 -10.962 9.754 1.00 1.08 H new ATOM 412 N PHE A 30 3.857 -8.362 7.013 1.00 0.56 N ATOM 413 CA PHE A 30 4.408 -7.022 6.846 1.00 0.50 C ATOM 414 C PHE A 30 3.441 -5.911 7.254 1.00 0.41 C ATOM 415 O PHE A 30 3.755 -4.752 7.095 1.00 0.40 O ATOM 416 CB PHE A 30 4.803 -6.828 5.369 1.00 0.50 C ATOM 417 CG PHE A 30 3.648 -6.996 4.392 1.00 0.43 C ATOM 418 CD1 PHE A 30 3.279 -8.253 3.935 1.00 0.50 C ATOM 419 CD2 PHE A 30 2.935 -5.900 3.937 1.00 0.42 C ATOM 420 CE1 PHE A 30 2.232 -8.410 3.053 1.00 0.53 C ATOM 421 CE2 PHE A 30 1.885 -6.053 3.054 1.00 0.45 C ATOM 422 CZ PHE A 30 1.534 -7.309 2.612 1.00 0.50 C ATOM 0 H PHE A 30 2.968 -8.514 6.537 1.00 0.56 H new ATOM 0 HA PHE A 30 5.272 -6.946 7.507 1.00 0.50 H new ATOM 0 HB2 PHE A 30 5.228 -5.832 5.245 1.00 0.50 H new ATOM 0 HB3 PHE A 30 5.586 -7.543 5.116 1.00 0.50 H new ATOM 0 HD1 PHE A 30 3.821 -9.123 4.276 1.00 0.50 H new ATOM 0 HD2 PHE A 30 3.204 -4.911 4.278 1.00 0.42 H new ATOM 0 HE1 PHE A 30 1.959 -9.396 2.708 1.00 0.53 H new ATOM 0 HE2 PHE A 30 1.339 -5.187 2.710 1.00 0.45 H new ATOM 0 HZ PHE A 30 0.713 -7.430 1.921 1.00 0.50 H new ATOM 432 N LEU A 31 2.300 -6.266 7.809 1.00 0.43 N ATOM 433 CA LEU A 31 1.248 -5.281 8.104 1.00 0.44 C ATOM 434 C LEU A 31 1.679 -4.184 9.086 1.00 0.52 C ATOM 435 O LEU A 31 1.336 -3.009 8.895 1.00 0.66 O ATOM 436 CB LEU A 31 -0.068 -5.941 8.554 1.00 0.52 C ATOM 437 CG LEU A 31 -0.883 -6.700 7.483 1.00 0.68 C ATOM 438 CD1 LEU A 31 -1.209 -5.798 6.299 1.00 0.88 C ATOM 439 CD2 LEU A 31 -0.190 -7.975 7.024 1.00 1.47 C ATOM 0 H LEU A 31 2.066 -7.224 8.069 1.00 0.43 H new ATOM 0 HA LEU A 31 1.064 -4.783 7.152 1.00 0.44 H new ATOM 0 HB2 LEU A 31 0.163 -6.638 9.359 1.00 0.52 H new ATOM 0 HB3 LEU A 31 -0.707 -5.166 8.977 1.00 0.52 H new ATOM 0 HG LEU A 31 -1.820 -6.999 7.953 1.00 0.68 H new ATOM 0 HD11 LEU A 31 -1.783 -6.359 5.561 1.00 0.88 H new ATOM 0 HD12 LEU A 31 -1.794 -4.945 6.642 1.00 0.88 H new ATOM 0 HD13 LEU A 31 -0.283 -5.444 5.846 1.00 0.88 H new ATOM 0 HD21 LEU A 31 -0.803 -8.472 6.272 1.00 1.47 H new ATOM 0 HD22 LEU A 31 0.781 -7.727 6.595 1.00 1.47 H new ATOM 0 HD23 LEU A 31 -0.051 -8.641 7.876 1.00 1.47 H new ATOM 451 N ASP A 32 2.442 -4.543 10.099 1.00 0.60 N ATOM 452 CA ASP A 32 2.897 -3.546 11.073 1.00 0.84 C ATOM 453 C ASP A 32 4.349 -3.176 10.832 1.00 0.71 C ATOM 454 O ASP A 32 4.948 -2.411 11.596 1.00 0.85 O ATOM 455 CB ASP A 32 2.669 -3.979 12.548 1.00 1.20 C ATOM 456 CG ASP A 32 3.452 -5.202 12.996 1.00 1.57 C ATOM 457 OD1 ASP A 32 4.662 -5.067 13.339 1.00 2.05 O ATOM 458 OD2 ASP A 32 2.907 -6.333 12.978 1.00 2.21 O ATOM 0 H ASP A 32 2.760 -5.496 10.276 1.00 0.60 H new ATOM 0 HA ASP A 32 2.279 -2.662 10.917 1.00 0.84 H new ATOM 0 HB2 ASP A 32 2.929 -3.144 13.198 1.00 1.20 H new ATOM 0 HB3 ASP A 32 1.607 -4.176 12.691 1.00 1.20 H new ATOM 463 N LEU A 33 4.900 -3.689 9.754 1.00 0.55 N ATOM 464 CA LEU A 33 6.268 -3.386 9.377 1.00 0.52 C ATOM 465 C LEU A 33 6.363 -2.001 8.808 1.00 0.51 C ATOM 466 O LEU A 33 5.453 -1.526 8.151 1.00 0.77 O ATOM 467 CB LEU A 33 6.845 -4.428 8.399 1.00 0.60 C ATOM 468 CG LEU A 33 7.643 -5.584 9.030 1.00 0.84 C ATOM 469 CD1 LEU A 33 6.870 -6.243 10.146 1.00 1.48 C ATOM 470 CD2 LEU A 33 8.028 -6.608 7.974 1.00 1.44 C ATOM 0 H LEU A 33 4.419 -4.324 9.117 1.00 0.55 H new ATOM 0 HA LEU A 33 6.874 -3.432 10.282 1.00 0.52 H new ATOM 0 HB2 LEU A 33 6.021 -4.853 7.826 1.00 0.60 H new ATOM 0 HB3 LEU A 33 7.493 -3.911 7.691 1.00 0.60 H new ATOM 0 HG LEU A 33 8.553 -5.163 9.457 1.00 0.84 H new ATOM 0 HD11 LEU A 33 7.462 -7.054 10.569 1.00 1.48 H new ATOM 0 HD12 LEU A 33 6.654 -5.509 10.922 1.00 1.48 H new ATOM 0 HD13 LEU A 33 5.935 -6.643 9.754 1.00 1.48 H new ATOM 0 HD21 LEU A 33 8.591 -7.417 8.440 1.00 1.44 H new ATOM 0 HD22 LEU A 33 7.127 -7.012 7.513 1.00 1.44 H new ATOM 0 HD23 LEU A 33 8.643 -6.130 7.211 1.00 1.44 H new ATOM 482 N ARG A 34 7.443 -1.363 9.070 1.00 0.35 N ATOM 483 CA ARG A 34 7.636 -0.011 8.614 1.00 0.37 C ATOM 484 C ARG A 34 8.234 -0.036 7.233 1.00 0.37 C ATOM 485 O ARG A 34 9.190 -0.781 6.981 1.00 0.49 O ATOM 486 CB ARG A 34 8.530 0.759 9.574 1.00 0.44 C ATOM 487 CG ARG A 34 7.986 0.835 10.994 1.00 0.53 C ATOM 488 CD ARG A 34 8.908 1.634 11.892 1.00 0.95 C ATOM 489 NE ARG A 34 10.253 1.043 11.985 1.00 1.56 N ATOM 490 CZ ARG A 34 11.396 1.721 11.845 1.00 2.31 C ATOM 491 NH1 ARG A 34 11.375 2.999 11.495 1.00 2.63 N ATOM 492 NH2 ARG A 34 12.554 1.104 12.022 1.00 3.28 N ATOM 0 H ARG A 34 8.223 -1.748 9.603 1.00 0.35 H new ATOM 0 HA ARG A 34 6.673 0.498 8.580 1.00 0.37 H new ATOM 0 HB2 ARG A 34 9.513 0.289 9.596 1.00 0.44 H new ATOM 0 HB3 ARG A 34 8.669 1.771 9.194 1.00 0.44 H new ATOM 0 HG2 ARG A 34 6.997 1.294 10.983 1.00 0.53 H new ATOM 0 HG3 ARG A 34 7.866 -0.172 11.395 1.00 0.53 H new ATOM 0 HD2 ARG A 34 8.987 2.653 11.512 1.00 0.95 H new ATOM 0 HD3 ARG A 34 8.473 1.699 12.889 1.00 0.95 H new ATOM 0 HE ARG A 34 10.317 0.042 12.170 1.00 1.56 H new ATOM 0 HH11 ARG A 34 10.484 3.468 11.332 1.00 2.63 H new ATOM 0 HH12 ARG A 34 12.250 3.513 11.389 1.00 2.63 H new ATOM 0 HH21 ARG A 34 12.572 0.113 12.265 1.00 3.28 H new ATOM 0 HH22 ARG A 34 13.428 1.619 11.916 1.00 3.28 H new ATOM 506 N PHE A 35 7.683 0.760 6.343 1.00 0.32 N ATOM 507 CA PHE A 35 8.138 0.813 4.969 1.00 0.35 C ATOM 508 C PHE A 35 9.612 1.163 4.841 1.00 0.46 C ATOM 509 O PHE A 35 10.340 0.485 4.130 1.00 0.53 O ATOM 510 CB PHE A 35 7.277 1.729 4.103 1.00 0.33 C ATOM 511 CG PHE A 35 5.945 1.141 3.738 1.00 0.34 C ATOM 512 CD1 PHE A 35 5.875 0.021 2.937 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.775 1.705 4.183 1.00 0.37 C ATOM 514 CE1 PHE A 35 4.662 -0.521 2.586 1.00 0.52 C ATOM 515 CE2 PHE A 35 3.554 1.170 3.835 1.00 0.44 C ATOM 516 CZ PHE A 35 3.498 0.055 3.035 1.00 0.53 C ATOM 0 H PHE A 35 6.907 1.389 6.550 1.00 0.32 H new ATOM 0 HA PHE A 35 8.021 -0.202 4.589 1.00 0.35 H new ATOM 0 HB2 PHE A 35 7.116 2.668 4.632 1.00 0.33 H new ATOM 0 HB3 PHE A 35 7.821 1.967 3.189 1.00 0.33 H new ATOM 0 HD1 PHE A 35 6.786 -0.437 2.581 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.812 2.580 4.815 1.00 0.37 H new ATOM 0 HE1 PHE A 35 4.624 -1.399 1.958 1.00 0.52 H new ATOM 0 HE2 PHE A 35 2.642 1.627 4.191 1.00 0.44 H new ATOM 0 HZ PHE A 35 2.543 -0.367 2.760 1.00 0.53 H new ATOM 526 N GLU A 36 10.069 2.157 5.569 1.00 0.59 N ATOM 527 CA GLU A 36 11.469 2.565 5.495 1.00 0.80 C ATOM 528 C GLU A 36 12.384 1.457 6.022 1.00 0.82 C ATOM 529 O GLU A 36 13.544 1.357 5.637 1.00 0.94 O ATOM 530 CB GLU A 36 11.721 3.869 6.250 1.00 1.02 C ATOM 531 CG GLU A 36 11.504 3.778 7.746 1.00 1.13 C ATOM 532 CD GLU A 36 11.841 5.054 8.443 1.00 1.46 C ATOM 533 OE1 GLU A 36 13.045 5.342 8.629 1.00 1.95 O ATOM 534 OE2 GLU A 36 10.909 5.807 8.804 1.00 1.87 O ATOM 0 H GLU A 36 9.501 2.701 6.219 1.00 0.59 H new ATOM 0 HA GLU A 36 11.701 2.742 4.445 1.00 0.80 H new ATOM 0 HB2 GLU A 36 12.745 4.191 6.063 1.00 1.02 H new ATOM 0 HB3 GLU A 36 11.066 4.641 5.846 1.00 1.02 H new ATOM 0 HG2 GLU A 36 10.464 3.521 7.946 1.00 1.13 H new ATOM 0 HG3 GLU A 36 12.115 2.972 8.152 1.00 1.13 H new ATOM 541 N ASP A 37 11.827 0.605 6.864 1.00 0.76 N ATOM 542 CA ASP A 37 12.566 -0.498 7.444 1.00 0.84 C ATOM 543 C ASP A 37 12.684 -1.634 6.446 1.00 0.79 C ATOM 544 O ASP A 37 13.685 -2.333 6.408 1.00 0.97 O ATOM 545 CB ASP A 37 11.920 -0.973 8.752 1.00 0.93 C ATOM 546 CG ASP A 37 12.603 -2.191 9.345 1.00 1.26 C ATOM 547 OD1 ASP A 37 13.744 -2.069 9.837 1.00 1.31 O ATOM 548 OD2 ASP A 37 11.991 -3.284 9.361 1.00 1.98 O ATOM 0 H ASP A 37 10.853 0.659 7.163 1.00 0.76 H new ATOM 0 HA ASP A 37 13.570 -0.148 7.686 1.00 0.84 H new ATOM 0 HB2 ASP A 37 11.944 -0.161 9.478 1.00 0.93 H new ATOM 0 HB3 ASP A 37 10.871 -1.205 8.569 1.00 0.93 H new ATOM 553 N ILE A 38 11.682 -1.783 5.605 1.00 0.62 N ATOM 554 CA ILE A 38 11.692 -2.822 4.579 1.00 0.62 C ATOM 555 C ILE A 38 12.186 -2.296 3.223 1.00 0.63 C ATOM 556 O ILE A 38 11.938 -2.886 2.179 1.00 0.69 O ATOM 557 CB ILE A 38 10.320 -3.544 4.430 1.00 0.63 C ATOM 558 CG1 ILE A 38 9.196 -2.540 4.120 1.00 0.55 C ATOM 559 CG2 ILE A 38 10.014 -4.337 5.695 1.00 0.72 C ATOM 560 CD1 ILE A 38 7.826 -3.163 3.932 1.00 0.65 C ATOM 0 H ILE A 38 10.845 -1.200 5.606 1.00 0.62 H new ATOM 0 HA ILE A 38 12.407 -3.568 4.927 1.00 0.62 H new ATOM 0 HB ILE A 38 10.378 -4.235 3.589 1.00 0.63 H new ATOM 0 HG12 ILE A 38 9.142 -1.814 4.931 1.00 0.55 H new ATOM 0 HG13 ILE A 38 9.457 -1.990 3.216 1.00 0.55 H new ATOM 0 HG21 ILE A 38 9.053 -4.840 5.586 1.00 0.72 H new ATOM 0 HG22 ILE A 38 10.796 -5.079 5.857 1.00 0.72 H new ATOM 0 HG23 ILE A 38 9.974 -3.660 6.548 1.00 0.72 H new ATOM 0 HD11 ILE A 38 7.097 -2.381 3.718 1.00 0.65 H new ATOM 0 HD12 ILE A 38 7.858 -3.868 3.101 1.00 0.65 H new ATOM 0 HD13 ILE A 38 7.537 -3.688 4.842 1.00 0.65 H new ATOM 572 N GLY A 39 12.951 -1.220 3.273 1.00 0.66 N ATOM 573 CA GLY A 39 13.582 -0.676 2.084 1.00 0.76 C ATOM 574 C GLY A 39 12.678 0.146 1.195 1.00 0.64 C ATOM 575 O GLY A 39 12.968 0.315 0.004 1.00 0.74 O ATOM 0 H GLY A 39 13.151 -0.703 4.129 1.00 0.66 H new ATOM 0 HA2 GLY A 39 14.425 -0.056 2.391 1.00 0.76 H new ATOM 0 HA3 GLY A 39 13.989 -1.500 1.498 1.00 0.76 H new ATOM 579 N TYR A 40 11.612 0.666 1.736 1.00 0.50 N ATOM 580 CA TYR A 40 10.701 1.487 0.964 1.00 0.41 C ATOM 581 C TYR A 40 10.911 2.950 1.199 1.00 0.40 C ATOM 582 O TYR A 40 11.136 3.396 2.325 1.00 0.57 O ATOM 583 CB TYR A 40 9.236 1.164 1.259 1.00 0.43 C ATOM 584 CG TYR A 40 8.685 -0.061 0.598 1.00 0.41 C ATOM 585 CD1 TYR A 40 9.338 -1.281 0.667 1.00 0.67 C ATOM 586 CD2 TYR A 40 7.478 0.004 -0.090 1.00 0.65 C ATOM 587 CE1 TYR A 40 8.817 -2.399 0.070 1.00 0.99 C ATOM 588 CE2 TYR A 40 6.952 -1.110 -0.690 1.00 0.97 C ATOM 589 CZ TYR A 40 7.627 -2.312 -0.609 1.00 1.10 C ATOM 590 OH TYR A 40 7.106 -3.429 -1.198 1.00 1.52 O ATOM 0 H TYR A 40 11.346 0.539 2.712 1.00 0.50 H new ATOM 0 HA TYR A 40 10.924 1.252 -0.077 1.00 0.41 H new ATOM 0 HB2 TYR A 40 9.120 1.054 2.337 1.00 0.43 H new ATOM 0 HB3 TYR A 40 8.629 2.018 0.959 1.00 0.43 H new ATOM 0 HD1 TYR A 40 10.274 -1.352 1.201 1.00 0.67 H new ATOM 0 HD2 TYR A 40 6.949 0.944 -0.152 1.00 0.65 H new ATOM 0 HE1 TYR A 40 9.339 -3.342 0.133 1.00 0.99 H new ATOM 0 HE2 TYR A 40 6.015 -1.048 -1.223 1.00 0.97 H new ATOM 0 HH TYR A 40 6.614 -3.173 -2.006 1.00 1.52 H new ATOM 600 N ASP A 41 10.864 3.668 0.137 1.00 0.45 N ATOM 601 CA ASP A 41 10.824 5.102 0.136 1.00 0.57 C ATOM 602 C ASP A 41 9.487 5.427 -0.502 1.00 0.46 C ATOM 603 O ASP A 41 8.754 4.487 -0.884 1.00 0.44 O ATOM 604 CB ASP A 41 12.017 5.669 -0.674 1.00 0.78 C ATOM 605 CG ASP A 41 12.010 7.184 -0.881 1.00 1.35 C ATOM 606 OD1 ASP A 41 12.348 7.927 0.076 1.00 1.88 O ATOM 607 OD2 ASP A 41 11.652 7.651 -1.978 1.00 2.04 O ATOM 0 H ASP A 41 10.851 3.265 -0.800 1.00 0.45 H new ATOM 0 HA ASP A 41 10.912 5.544 1.129 1.00 0.57 H new ATOM 0 HB2 ASP A 41 12.942 5.393 -0.167 1.00 0.78 H new ATOM 0 HB3 ASP A 41 12.033 5.186 -1.651 1.00 0.78 H new ATOM 612 N SER A 42 9.142 6.669 -0.633 1.00 0.46 N ATOM 613 CA SER A 42 7.885 7.038 -1.197 1.00 0.47 C ATOM 614 C SER A 42 7.737 6.605 -2.649 1.00 0.45 C ATOM 615 O SER A 42 6.645 6.400 -3.082 1.00 0.49 O ATOM 616 CB SER A 42 7.662 8.501 -1.022 1.00 0.66 C ATOM 617 OG SER A 42 8.926 9.185 -1.226 1.00 1.03 O ATOM 0 H SER A 42 9.726 7.456 -0.351 1.00 0.46 H new ATOM 0 HA SER A 42 7.107 6.500 -0.656 1.00 0.47 H new ATOM 0 HB2 SER A 42 6.918 8.859 -1.734 1.00 0.66 H new ATOM 0 HB3 SER A 42 7.275 8.709 -0.024 1.00 0.66 H new ATOM 622 N LEU A 43 8.839 6.434 -3.376 1.00 0.51 N ATOM 623 CA LEU A 43 8.761 5.943 -4.760 1.00 0.63 C ATOM 624 C LEU A 43 7.996 4.617 -4.816 1.00 0.56 C ATOM 625 O LEU A 43 6.958 4.527 -5.463 1.00 0.61 O ATOM 626 CB LEU A 43 10.158 5.784 -5.383 1.00 0.82 C ATOM 627 CG LEU A 43 10.220 5.094 -6.763 1.00 1.11 C ATOM 628 CD1 LEU A 43 9.414 5.852 -7.814 1.00 1.63 C ATOM 629 CD2 LEU A 43 11.661 4.923 -7.211 1.00 1.86 C ATOM 0 H LEU A 43 9.784 6.623 -3.042 1.00 0.51 H new ATOM 0 HA LEU A 43 8.220 6.687 -5.345 1.00 0.63 H new ATOM 0 HB2 LEU A 43 10.605 6.774 -5.475 1.00 0.82 H new ATOM 0 HB3 LEU A 43 10.779 5.217 -4.689 1.00 0.82 H new ATOM 0 HG LEU A 43 9.768 4.108 -6.656 1.00 1.11 H new ATOM 0 HD11 LEU A 43 9.484 5.333 -8.770 1.00 1.63 H new ATOM 0 HD12 LEU A 43 8.370 5.903 -7.505 1.00 1.63 H new ATOM 0 HD13 LEU A 43 9.811 6.862 -7.919 1.00 1.63 H new ATOM 0 HD21 LEU A 43 11.684 4.435 -8.185 1.00 1.86 H new ATOM 0 HD22 LEU A 43 12.138 5.900 -7.284 1.00 1.86 H new ATOM 0 HD23 LEU A 43 12.197 4.311 -6.486 1.00 1.86 H new ATOM 641 N ALA A 44 8.480 3.624 -4.085 1.00 0.50 N ATOM 642 CA ALA A 44 7.845 2.315 -4.049 1.00 0.48 C ATOM 643 C ALA A 44 6.474 2.396 -3.398 1.00 0.41 C ATOM 644 O ALA A 44 5.524 1.726 -3.815 1.00 0.47 O ATOM 645 CB ALA A 44 8.717 1.332 -3.292 1.00 0.51 C ATOM 0 H ALA A 44 9.316 3.701 -3.505 1.00 0.50 H new ATOM 0 HA ALA A 44 7.721 1.969 -5.075 1.00 0.48 H new ATOM 0 HB1 ALA A 44 8.232 0.356 -3.271 1.00 0.51 H new ATOM 0 HB2 ALA A 44 9.684 1.246 -3.788 1.00 0.51 H new ATOM 0 HB3 ALA A 44 8.863 1.686 -2.272 1.00 0.51 H new ATOM 651 N LEU A 45 6.377 3.232 -2.394 1.00 0.34 N ATOM 652 CA LEU A 45 5.162 3.395 -1.632 1.00 0.31 C ATOM 653 C LEU A 45 4.030 4.025 -2.471 1.00 0.32 C ATOM 654 O LEU A 45 2.923 3.482 -2.530 1.00 0.34 O ATOM 655 CB LEU A 45 5.451 4.219 -0.377 1.00 0.29 C ATOM 656 CG LEU A 45 4.271 4.501 0.544 1.00 0.33 C ATOM 657 CD1 LEU A 45 3.618 3.206 0.977 1.00 0.86 C ATOM 658 CD2 LEU A 45 4.739 5.275 1.758 1.00 0.86 C ATOM 0 H LEU A 45 7.146 3.824 -2.079 1.00 0.34 H new ATOM 0 HA LEU A 45 4.810 2.407 -1.335 1.00 0.31 H new ATOM 0 HB2 LEU A 45 6.217 3.702 0.201 1.00 0.29 H new ATOM 0 HB3 LEU A 45 5.876 5.174 -0.687 1.00 0.29 H new ATOM 0 HG LEU A 45 3.537 5.096 0.000 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.777 3.425 1.635 1.00 0.86 H new ATOM 0 HD12 LEU A 45 3.262 2.667 0.099 1.00 0.86 H new ATOM 0 HD13 LEU A 45 4.345 2.592 1.509 1.00 0.86 H new ATOM 0 HD21 LEU A 45 3.890 5.473 2.412 1.00 0.86 H new ATOM 0 HD22 LEU A 45 5.484 4.690 2.297 1.00 0.86 H new ATOM 0 HD23 LEU A 45 5.180 6.220 1.440 1.00 0.86 H new ATOM 670 N MET A 46 4.325 5.129 -3.144 1.00 0.35 N ATOM 671 CA MET A 46 3.332 5.848 -3.957 1.00 0.39 C ATOM 672 C MET A 46 2.909 5.006 -5.106 1.00 0.41 C ATOM 673 O MET A 46 1.744 4.923 -5.413 1.00 0.46 O ATOM 674 CB MET A 46 3.880 7.146 -4.540 1.00 0.46 C ATOM 675 CG MET A 46 4.330 8.183 -3.545 1.00 0.50 C ATOM 676 SD MET A 46 3.048 8.709 -2.402 1.00 0.85 S ATOM 677 CE MET A 46 1.830 9.343 -3.534 1.00 1.73 C ATOM 0 H MET A 46 5.251 5.556 -3.147 1.00 0.35 H new ATOM 0 HA MET A 46 2.501 6.074 -3.289 1.00 0.39 H new ATOM 0 HB2 MET A 46 4.723 6.902 -5.186 1.00 0.46 H new ATOM 0 HB3 MET A 46 3.111 7.589 -5.173 1.00 0.46 H new ATOM 0 HG2 MET A 46 5.169 7.784 -2.975 1.00 0.50 H new ATOM 0 HG3 MET A 46 4.699 9.054 -4.086 1.00 0.50 H new ATOM 0 HE1 MET A 46 1.727 10.419 -3.392 1.00 1.73 H new ATOM 0 HE2 MET A 46 2.144 9.140 -4.558 1.00 1.73 H new ATOM 0 HE3 MET A 46 0.872 8.859 -3.346 1.00 1.73 H new ATOM 687 N GLU A 47 3.878 4.370 -5.723 1.00 0.40 N ATOM 688 CA GLU A 47 3.660 3.519 -6.867 1.00 0.44 C ATOM 689 C GLU A 47 2.702 2.374 -6.510 1.00 0.42 C ATOM 690 O GLU A 47 1.913 1.928 -7.336 1.00 0.50 O ATOM 691 CB GLU A 47 5.020 3.033 -7.350 1.00 0.49 C ATOM 692 CG GLU A 47 5.019 2.169 -8.610 1.00 0.71 C ATOM 693 CD GLU A 47 4.303 2.806 -9.773 1.00 0.88 C ATOM 694 OE1 GLU A 47 4.639 3.961 -10.145 1.00 1.43 O ATOM 695 OE2 GLU A 47 3.410 2.179 -10.353 1.00 1.63 O ATOM 0 H GLU A 47 4.856 4.431 -5.438 1.00 0.40 H new ATOM 0 HA GLU A 47 3.178 4.064 -7.679 1.00 0.44 H new ATOM 0 HB2 GLU A 47 5.650 3.904 -7.532 1.00 0.49 H new ATOM 0 HB3 GLU A 47 5.486 2.465 -6.545 1.00 0.49 H new ATOM 0 HG2 GLU A 47 6.049 1.959 -8.898 1.00 0.71 H new ATOM 0 HG3 GLU A 47 4.550 1.211 -8.384 1.00 0.71 H new ATOM 702 N THR A 48 2.756 1.944 -5.269 1.00 0.38 N ATOM 703 CA THR A 48 1.832 0.966 -4.768 1.00 0.38 C ATOM 704 C THR A 48 0.468 1.650 -4.531 1.00 0.37 C ATOM 705 O THR A 48 -0.540 1.295 -5.161 1.00 0.41 O ATOM 706 CB THR A 48 2.352 0.391 -3.428 1.00 0.39 C ATOM 707 OG1 THR A 48 3.641 -0.213 -3.619 1.00 0.47 O ATOM 708 CG2 THR A 48 1.384 -0.643 -2.870 1.00 0.42 C ATOM 0 H THR A 48 3.441 2.265 -4.585 1.00 0.38 H new ATOM 0 HA THR A 48 1.728 0.156 -5.489 1.00 0.38 H new ATOM 0 HB THR A 48 2.436 1.212 -2.716 1.00 0.39 H new ATOM 0 HG1 THR A 48 4.299 0.481 -3.835 1.00 0.47 H new ATOM 0 HG21 THR A 48 1.771 -1.033 -1.928 1.00 0.42 H new ATOM 0 HG22 THR A 48 0.413 -0.178 -2.699 1.00 0.42 H new ATOM 0 HG23 THR A 48 1.274 -1.460 -3.583 1.00 0.42 H new ATOM 716 N ALA A 49 0.473 2.656 -3.652 1.00 0.35 N ATOM 717 CA ALA A 49 -0.729 3.369 -3.220 1.00 0.38 C ATOM 718 C ALA A 49 -1.545 3.918 -4.388 1.00 0.40 C ATOM 719 O ALA A 49 -2.693 3.541 -4.552 1.00 0.42 O ATOM 720 CB ALA A 49 -0.360 4.489 -2.257 1.00 0.42 C ATOM 0 H ALA A 49 1.327 3.002 -3.214 1.00 0.35 H new ATOM 0 HA ALA A 49 -1.362 2.643 -2.709 1.00 0.38 H new ATOM 0 HB1 ALA A 49 -1.264 5.012 -1.943 1.00 0.42 H new ATOM 0 HB2 ALA A 49 0.138 4.068 -1.383 1.00 0.42 H new ATOM 0 HB3 ALA A 49 0.310 5.190 -2.754 1.00 0.42 H new ATOM 726 N ALA A 50 -0.914 4.734 -5.229 1.00 0.43 N ATOM 727 CA ALA A 50 -1.584 5.421 -6.341 1.00 0.48 C ATOM 728 C ALA A 50 -2.202 4.444 -7.316 1.00 0.47 C ATOM 729 O ALA A 50 -3.282 4.694 -7.875 1.00 0.51 O ATOM 730 CB ALA A 50 -0.611 6.345 -7.064 1.00 0.58 C ATOM 0 H ALA A 50 0.082 4.941 -5.162 1.00 0.43 H new ATOM 0 HA ALA A 50 -2.391 6.018 -5.915 1.00 0.48 H new ATOM 0 HB1 ALA A 50 -1.126 6.845 -7.885 1.00 0.58 H new ATOM 0 HB2 ALA A 50 -0.231 7.091 -6.366 1.00 0.58 H new ATOM 0 HB3 ALA A 50 0.220 5.761 -7.459 1.00 0.58 H new ATOM 736 N ARG A 51 -1.546 3.316 -7.495 1.00 0.46 N ATOM 737 CA ARG A 51 -2.036 2.307 -8.386 1.00 0.51 C ATOM 738 C ARG A 51 -3.270 1.661 -7.785 1.00 0.49 C ATOM 739 O ARG A 51 -4.291 1.527 -8.451 1.00 0.62 O ATOM 740 CB ARG A 51 -0.967 1.268 -8.655 1.00 0.57 C ATOM 741 CG ARG A 51 -1.362 0.226 -9.676 1.00 0.79 C ATOM 742 CD ARG A 51 -0.234 -0.738 -9.892 1.00 0.80 C ATOM 743 NE ARG A 51 -0.517 -1.710 -10.936 1.00 1.38 N ATOM 744 CZ ARG A 51 0.396 -2.528 -11.467 1.00 1.81 C ATOM 745 NH1 ARG A 51 1.684 -2.430 -11.101 1.00 1.82 N ATOM 746 NH2 ARG A 51 0.026 -3.409 -12.397 1.00 2.77 N ATOM 0 H ARG A 51 -0.669 3.083 -7.029 1.00 0.46 H new ATOM 0 HA ARG A 51 -2.301 2.768 -9.337 1.00 0.51 H new ATOM 0 HB2 ARG A 51 -0.063 1.772 -8.997 1.00 0.57 H new ATOM 0 HB3 ARG A 51 -0.718 0.768 -7.719 1.00 0.57 H new ATOM 0 HG2 ARG A 51 -2.248 -0.310 -9.336 1.00 0.79 H new ATOM 0 HG3 ARG A 51 -1.623 0.709 -10.618 1.00 0.79 H new ATOM 0 HD2 ARG A 51 0.667 -0.183 -10.153 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.027 -1.263 -8.959 1.00 0.80 H new ATOM 0 HE ARG A 51 -1.473 -1.771 -11.285 1.00 1.38 H new ATOM 0 HH11 ARG A 51 1.968 -1.730 -10.416 1.00 1.82 H new ATOM 0 HH12 ARG A 51 2.379 -3.056 -11.508 1.00 1.82 H new ATOM 0 HH21 ARG A 51 -0.948 -3.455 -12.698 1.00 2.77 H new ATOM 0 HH22 ARG A 51 0.717 -4.037 -12.808 1.00 2.77 H new ATOM 760 N LEU A 52 -3.180 1.311 -6.503 1.00 0.41 N ATOM 761 CA LEU A 52 -4.289 0.702 -5.784 1.00 0.40 C ATOM 762 C LEU A 52 -5.478 1.648 -5.734 1.00 0.37 C ATOM 763 O LEU A 52 -6.626 1.215 -5.876 1.00 0.41 O ATOM 764 CB LEU A 52 -3.874 0.296 -4.364 1.00 0.39 C ATOM 765 CG LEU A 52 -2.773 -0.760 -4.260 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.423 -1.024 -2.807 1.00 0.49 C ATOM 767 CD2 LEU A 52 -3.195 -2.050 -4.952 1.00 0.56 C ATOM 0 H LEU A 52 -2.340 1.442 -5.939 1.00 0.41 H new ATOM 0 HA LEU A 52 -4.580 -0.199 -6.323 1.00 0.40 H new ATOM 0 HB2 LEU A 52 -3.543 1.190 -3.835 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -4.756 -0.075 -3.842 1.00 0.39 H new ATOM 0 HG LEU A 52 -1.885 -0.378 -4.764 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.638 -1.778 -2.753 1.00 0.49 H new ATOM 0 HD12 LEU A 52 -2.073 -0.102 -2.344 1.00 0.49 H new ATOM 0 HD13 LEU A 52 -3.307 -1.382 -2.279 1.00 0.49 H new ATOM 0 HD21 LEU A 52 -2.397 -2.787 -4.866 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -4.099 -2.437 -4.481 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -3.392 -1.850 -6.005 1.00 0.56 H new ATOM 779 N GLU A 53 -5.196 2.938 -5.549 1.00 0.37 N ATOM 780 CA GLU A 53 -6.225 3.948 -5.535 1.00 0.38 C ATOM 781 C GLU A 53 -6.996 3.950 -6.834 1.00 0.40 C ATOM 782 O GLU A 53 -8.189 3.681 -6.851 1.00 0.44 O ATOM 783 CB GLU A 53 -5.685 5.341 -5.356 1.00 0.46 C ATOM 784 CG GLU A 53 -4.916 5.651 -4.110 1.00 0.64 C ATOM 785 CD GLU A 53 -4.375 7.056 -4.201 1.00 1.43 C ATOM 786 OE1 GLU A 53 -5.133 8.016 -4.059 1.00 1.52 O ATOM 787 OE2 GLU A 53 -3.149 7.213 -4.358 1.00 2.19 O ATOM 0 H GLU A 53 -4.252 3.298 -5.407 1.00 0.37 H new ATOM 0 HA GLU A 53 -6.860 3.692 -4.687 1.00 0.38 H new ATOM 0 HB2 GLU A 53 -5.040 5.559 -6.207 1.00 0.46 H new ATOM 0 HB3 GLU A 53 -6.526 6.032 -5.408 1.00 0.46 H new ATOM 0 HG2 GLU A 53 -5.560 5.552 -3.236 1.00 0.64 H new ATOM 0 HG3 GLU A 53 -4.099 4.941 -3.986 1.00 0.64 H new ATOM 794 N SER A 54 -6.296 4.225 -7.918 1.00 0.44 N ATOM 795 CA SER A 54 -6.892 4.343 -9.240 1.00 0.51 C ATOM 796 C SER A 54 -7.570 3.037 -9.685 1.00 0.51 C ATOM 797 O SER A 54 -8.611 3.060 -10.333 1.00 0.58 O ATOM 798 CB SER A 54 -5.810 4.762 -10.225 1.00 0.61 C ATOM 799 OG SER A 54 -5.131 5.913 -9.733 1.00 1.18 O ATOM 0 H SER A 54 -5.287 4.375 -7.908 1.00 0.44 H new ATOM 0 HA SER A 54 -7.676 5.099 -9.208 1.00 0.51 H new ATOM 0 HB2 SER A 54 -5.103 3.946 -10.371 1.00 0.61 H new ATOM 0 HB3 SER A 54 -6.254 4.978 -11.197 1.00 0.61 H new ATOM 0 HG SER A 54 -4.416 5.635 -9.123 1.00 1.18 H new ATOM 805 N ARG A 55 -6.996 1.919 -9.289 1.00 0.49 N ATOM 806 CA ARG A 55 -7.508 0.595 -9.627 1.00 0.53 C ATOM 807 C ARG A 55 -8.872 0.328 -8.951 1.00 0.54 C ATOM 808 O ARG A 55 -9.688 -0.431 -9.461 1.00 0.67 O ATOM 809 CB ARG A 55 -6.462 -0.452 -9.211 1.00 0.60 C ATOM 810 CG ARG A 55 -6.793 -1.909 -9.481 1.00 0.76 C ATOM 811 CD ARG A 55 -5.629 -2.782 -9.033 1.00 0.93 C ATOM 812 NE ARG A 55 -5.941 -4.212 -9.050 1.00 1.46 N ATOM 813 CZ ARG A 55 -5.691 -5.049 -8.030 1.00 2.05 C ATOM 814 NH1 ARG A 55 -5.080 -4.606 -6.935 1.00 2.15 N ATOM 815 NH2 ARG A 55 -6.033 -6.323 -8.118 1.00 2.93 N ATOM 0 H ARG A 55 -6.152 1.898 -8.717 1.00 0.49 H new ATOM 0 HA ARG A 55 -7.678 0.534 -10.702 1.00 0.53 H new ATOM 0 HB2 ARG A 55 -5.528 -0.218 -9.722 1.00 0.60 H new ATOM 0 HB3 ARG A 55 -6.278 -0.340 -8.142 1.00 0.60 H new ATOM 0 HG2 ARG A 55 -7.701 -2.192 -8.948 1.00 0.76 H new ATOM 0 HG3 ARG A 55 -6.987 -2.059 -10.543 1.00 0.76 H new ATOM 0 HD2 ARG A 55 -4.773 -2.596 -9.681 1.00 0.93 H new ATOM 0 HD3 ARG A 55 -5.334 -2.493 -8.024 1.00 0.93 H new ATOM 0 HE ARG A 55 -6.375 -4.597 -9.889 1.00 1.46 H new ATOM 0 HH11 ARG A 55 -4.800 -3.628 -6.868 1.00 2.15 H new ATOM 0 HH12 ARG A 55 -4.892 -5.245 -6.162 1.00 2.15 H new ATOM 0 HH21 ARG A 55 -6.488 -6.672 -8.962 1.00 2.93 H new ATOM 0 HH22 ARG A 55 -5.842 -6.957 -7.342 1.00 2.93 H new ATOM 829 N TYR A 56 -9.121 0.956 -7.814 1.00 0.51 N ATOM 830 CA TYR A 56 -10.378 0.730 -7.102 1.00 0.59 C ATOM 831 C TYR A 56 -11.243 1.979 -6.995 1.00 0.64 C ATOM 832 O TYR A 56 -12.347 1.932 -6.453 1.00 0.81 O ATOM 833 CB TYR A 56 -10.135 0.099 -5.734 1.00 0.66 C ATOM 834 CG TYR A 56 -9.661 -1.330 -5.816 1.00 0.71 C ATOM 835 CD1 TYR A 56 -8.312 -1.619 -5.972 1.00 0.71 C ATOM 836 CD2 TYR A 56 -10.550 -2.387 -5.719 1.00 0.89 C ATOM 837 CE1 TYR A 56 -7.866 -2.921 -6.032 1.00 0.82 C ATOM 838 CE2 TYR A 56 -10.113 -3.686 -5.773 1.00 0.99 C ATOM 839 CZ TYR A 56 -8.810 -3.959 -6.006 1.00 0.95 C ATOM 840 OH TYR A 56 -8.334 -5.258 -5.988 1.00 1.09 O ATOM 0 H TYR A 56 -8.485 1.616 -7.366 1.00 0.51 H new ATOM 0 HA TYR A 56 -10.946 0.023 -7.707 1.00 0.59 H new ATOM 0 HB2 TYR A 56 -9.395 0.690 -5.194 1.00 0.66 H new ATOM 0 HB3 TYR A 56 -11.057 0.137 -5.154 1.00 0.66 H new ATOM 0 HD1 TYR A 56 -7.601 -0.810 -6.048 1.00 0.71 H new ATOM 0 HD2 TYR A 56 -11.604 -2.185 -5.599 1.00 0.89 H new ATOM 0 HE1 TYR A 56 -6.810 -3.139 -6.098 1.00 0.82 H new ATOM 0 HE2 TYR A 56 -10.814 -4.495 -5.629 1.00 0.99 H new ATOM 0 HH TYR A 56 -9.089 -5.883 -5.970 1.00 1.09 H new ATOM 850 N GLY A 57 -10.751 3.071 -7.521 1.00 0.59 N ATOM 851 CA GLY A 57 -11.498 4.309 -7.519 1.00 0.67 C ATOM 852 C GLY A 57 -11.465 5.037 -6.184 1.00 0.66 C ATOM 853 O GLY A 57 -12.442 5.682 -5.801 1.00 0.88 O ATOM 0 H GLY A 57 -9.832 3.131 -7.959 1.00 0.59 H new ATOM 0 HA2 GLY A 57 -11.099 4.966 -8.292 1.00 0.67 H new ATOM 0 HA3 GLY A 57 -12.534 4.099 -7.783 1.00 0.67 H new ATOM 857 N VAL A 58 -10.356 4.947 -5.467 1.00 0.49 N ATOM 858 CA VAL A 58 -10.250 5.654 -4.201 1.00 0.47 C ATOM 859 C VAL A 58 -9.278 6.817 -4.316 1.00 0.44 C ATOM 860 O VAL A 58 -8.625 6.983 -5.356 1.00 0.46 O ATOM 861 CB VAL A 58 -9.899 4.750 -2.974 1.00 0.51 C ATOM 862 CG1 VAL A 58 -10.897 3.639 -2.840 1.00 0.68 C ATOM 863 CG2 VAL A 58 -8.512 4.168 -3.065 1.00 0.64 C ATOM 0 H VAL A 58 -9.534 4.404 -5.732 1.00 0.49 H new ATOM 0 HA VAL A 58 -11.251 6.033 -3.996 1.00 0.47 H new ATOM 0 HB VAL A 58 -9.934 5.390 -2.093 1.00 0.51 H new ATOM 0 HG11 VAL A 58 -10.638 3.019 -1.981 1.00 0.68 H new ATOM 0 HG12 VAL A 58 -11.892 4.059 -2.697 1.00 0.68 H new ATOM 0 HG13 VAL A 58 -10.887 3.030 -3.744 1.00 0.68 H new ATOM 0 HG21 VAL A 58 -8.319 3.549 -2.189 1.00 0.64 H new ATOM 0 HG22 VAL A 58 -8.432 3.558 -3.965 1.00 0.64 H new ATOM 0 HG23 VAL A 58 -7.781 4.975 -3.107 1.00 0.64 H new ATOM 873 N SER A 59 -9.165 7.606 -3.266 1.00 0.46 N ATOM 874 CA SER A 59 -8.308 8.768 -3.277 1.00 0.54 C ATOM 875 C SER A 59 -7.620 8.980 -1.917 1.00 0.51 C ATOM 876 O SER A 59 -8.281 9.290 -0.906 1.00 0.66 O ATOM 877 CB SER A 59 -9.121 10.014 -3.658 1.00 0.73 C ATOM 878 OG SER A 59 -9.772 9.855 -4.916 1.00 1.33 O ATOM 0 H SER A 59 -9.662 7.459 -2.388 1.00 0.46 H new ATOM 0 HA SER A 59 -7.528 8.601 -4.020 1.00 0.54 H new ATOM 0 HB2 SER A 59 -9.864 10.213 -2.886 1.00 0.73 H new ATOM 0 HB3 SER A 59 -8.461 10.881 -3.697 1.00 0.73 H new ATOM 0 HG SER A 59 -10.281 10.666 -5.126 1.00 1.33 H new ATOM 884 N ILE A 60 -6.331 8.783 -1.911 1.00 0.47 N ATOM 885 CA ILE A 60 -5.453 9.008 -0.780 1.00 0.44 C ATOM 886 C ILE A 60 -4.422 10.045 -1.235 1.00 0.35 C ATOM 887 O ILE A 60 -3.581 9.740 -2.067 1.00 0.37 O ATOM 888 CB ILE A 60 -4.728 7.675 -0.357 1.00 0.52 C ATOM 889 CG1 ILE A 60 -5.770 6.630 0.082 1.00 0.73 C ATOM 890 CG2 ILE A 60 -3.674 7.912 0.752 1.00 0.50 C ATOM 891 CD1 ILE A 60 -5.199 5.273 0.426 1.00 0.61 C ATOM 0 H ILE A 60 -5.832 8.444 -2.733 1.00 0.47 H new ATOM 0 HA ILE A 60 -6.018 9.355 0.085 1.00 0.44 H new ATOM 0 HB ILE A 60 -4.188 7.296 -1.224 1.00 0.52 H new ATOM 0 HG12 ILE A 60 -6.306 7.014 0.950 1.00 0.73 H new ATOM 0 HG13 ILE A 60 -6.502 6.509 -0.717 1.00 0.73 H new ATOM 0 HG21 ILE A 60 -3.200 6.965 1.012 1.00 0.50 H new ATOM 0 HG22 ILE A 60 -2.918 8.610 0.392 1.00 0.50 H new ATOM 0 HG23 ILE A 60 -4.161 8.328 1.634 1.00 0.50 H new ATOM 0 HD11 ILE A 60 -6.006 4.604 0.724 1.00 0.61 H new ATOM 0 HD12 ILE A 60 -4.689 4.862 -0.445 1.00 0.61 H new ATOM 0 HD13 ILE A 60 -4.490 5.374 1.248 1.00 0.61 H new ATOM 903 N PRO A 61 -4.526 11.301 -0.748 1.00 0.38 N ATOM 904 CA PRO A 61 -3.625 12.409 -1.159 1.00 0.40 C ATOM 905 C PRO A 61 -2.137 12.046 -1.021 1.00 0.34 C ATOM 906 O PRO A 61 -1.769 11.292 -0.129 1.00 0.30 O ATOM 907 CB PRO A 61 -3.993 13.534 -0.189 1.00 0.52 C ATOM 908 CG PRO A 61 -5.404 13.249 0.195 1.00 0.57 C ATOM 909 CD PRO A 61 -5.521 11.752 0.244 1.00 0.50 C ATOM 0 HA PRO A 61 -3.752 12.668 -2.210 1.00 0.40 H new ATOM 0 HB2 PRO A 61 -3.338 13.537 0.682 1.00 0.52 H new ATOM 0 HB3 PRO A 61 -3.900 14.512 -0.662 1.00 0.52 H new ATOM 0 HG2 PRO A 61 -5.643 13.692 1.162 1.00 0.57 H new ATOM 0 HG3 PRO A 61 -6.100 13.672 -0.530 1.00 0.57 H new ATOM 0 HD2 PRO A 61 -5.302 11.364 1.239 1.00 0.50 H new ATOM 0 HD3 PRO A 61 -6.526 11.418 -0.014 1.00 0.50 H new ATOM 917 N ASP A 62 -1.302 12.613 -1.887 1.00 0.43 N ATOM 918 CA ASP A 62 0.152 12.322 -1.946 1.00 0.48 C ATOM 919 C ASP A 62 0.823 12.581 -0.612 1.00 0.43 C ATOM 920 O ASP A 62 1.606 11.762 -0.130 1.00 0.47 O ATOM 921 CB ASP A 62 0.843 13.158 -3.044 1.00 0.71 C ATOM 922 CG ASP A 62 0.406 12.799 -4.451 1.00 1.29 C ATOM 923 OD1 ASP A 62 -0.654 13.271 -4.894 1.00 1.64 O ATOM 924 OD2 ASP A 62 1.112 12.045 -5.141 1.00 2.10 O ATOM 0 H ASP A 62 -1.606 13.297 -2.581 1.00 0.43 H new ATOM 0 HA ASP A 62 0.256 11.264 -2.189 1.00 0.48 H new ATOM 0 HB2 ASP A 62 0.637 14.214 -2.868 1.00 0.71 H new ATOM 0 HB3 ASP A 62 1.922 13.026 -2.964 1.00 0.71 H new ATOM 929 N ASP A 63 0.495 13.713 -0.004 1.00 0.46 N ATOM 930 CA ASP A 63 1.016 14.094 1.322 1.00 0.55 C ATOM 931 C ASP A 63 0.646 13.059 2.397 1.00 0.46 C ATOM 932 O ASP A 63 1.378 12.859 3.363 1.00 0.52 O ATOM 933 CB ASP A 63 0.496 15.488 1.714 1.00 0.78 C ATOM 934 CG ASP A 63 0.984 15.961 3.072 1.00 1.38 C ATOM 935 OD1 ASP A 63 2.140 16.413 3.187 1.00 1.57 O ATOM 936 OD2 ASP A 63 0.219 15.884 4.058 1.00 2.18 O ATOM 0 H ASP A 63 -0.140 14.401 -0.409 1.00 0.46 H new ATOM 0 HA ASP A 63 2.104 14.124 1.258 1.00 0.55 H new ATOM 0 HB2 ASP A 63 0.805 16.208 0.956 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -0.594 15.473 1.714 1.00 0.78 H new ATOM 941 N VAL A 64 -0.467 12.386 2.197 1.00 0.42 N ATOM 942 CA VAL A 64 -0.941 11.369 3.123 1.00 0.43 C ATOM 943 C VAL A 64 -0.305 10.018 2.764 1.00 0.38 C ATOM 944 O VAL A 64 0.195 9.308 3.627 1.00 0.47 O ATOM 945 CB VAL A 64 -2.492 11.244 3.070 1.00 0.51 C ATOM 946 CG1 VAL A 64 -2.996 10.219 4.080 1.00 0.60 C ATOM 947 CG2 VAL A 64 -3.145 12.591 3.316 1.00 0.58 C ATOM 0 H VAL A 64 -1.072 12.526 1.388 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.655 11.661 4.134 1.00 0.43 H new ATOM 0 HB VAL A 64 -2.765 10.900 2.072 1.00 0.51 H new ATOM 0 HG11 VAL A 64 -4.082 10.153 4.020 1.00 0.60 H new ATOM 0 HG12 VAL A 64 -2.561 9.245 3.858 1.00 0.60 H new ATOM 0 HG13 VAL A 64 -2.706 10.525 5.085 1.00 0.60 H new ATOM 0 HG21 VAL A 64 -4.229 12.483 3.275 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -2.854 12.962 4.299 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -2.822 13.297 2.551 1.00 0.58 H new ATOM 957 N ALA A 65 -0.328 9.683 1.476 1.00 0.31 N ATOM 958 CA ALA A 65 0.224 8.428 0.962 1.00 0.35 C ATOM 959 C ALA A 65 1.711 8.318 1.243 1.00 0.43 C ATOM 960 O ALA A 65 2.201 7.268 1.570 1.00 0.53 O ATOM 961 CB ALA A 65 -0.029 8.300 -0.523 1.00 0.40 C ATOM 0 H ALA A 65 -0.733 10.278 0.753 1.00 0.31 H new ATOM 0 HA ALA A 65 -0.283 7.614 1.481 1.00 0.35 H new ATOM 0 HB1 ALA A 65 0.390 7.360 -0.884 1.00 0.40 H new ATOM 0 HB2 ALA A 65 -1.102 8.315 -0.712 1.00 0.40 H new ATOM 0 HB3 ALA A 65 0.443 9.132 -1.046 1.00 0.40 H new ATOM 967 N GLY A 66 2.415 9.422 1.163 1.00 0.48 N ATOM 968 CA GLY A 66 3.829 9.413 1.459 1.00 0.61 C ATOM 969 C GLY A 66 4.100 9.479 2.954 1.00 0.63 C ATOM 970 O GLY A 66 5.245 9.652 3.379 1.00 0.88 O ATOM 0 H GLY A 66 2.037 10.331 0.898 1.00 0.48 H new ATOM 0 HA2 GLY A 66 4.279 8.509 1.049 1.00 0.61 H new ATOM 0 HA3 GLY A 66 4.308 10.259 0.966 1.00 0.61 H new ATOM 974 N ARG A 67 3.048 9.349 3.740 1.00 0.56 N ATOM 975 CA ARG A 67 3.132 9.402 5.179 1.00 0.63 C ATOM 976 C ARG A 67 2.559 8.092 5.802 1.00 0.51 C ATOM 977 O ARG A 67 2.525 7.931 7.040 1.00 0.69 O ATOM 978 CB ARG A 67 2.378 10.657 5.676 1.00 0.84 C ATOM 979 CG ARG A 67 2.507 10.968 7.157 1.00 1.49 C ATOM 980 CD ARG A 67 1.747 12.231 7.511 1.00 2.24 C ATOM 981 NE ARG A 67 1.814 12.534 8.945 1.00 2.85 N ATOM 982 CZ ARG A 67 1.009 13.401 9.583 1.00 3.81 C ATOM 983 NH1 ARG A 67 0.123 14.130 8.907 1.00 4.32 N ATOM 984 NH2 ARG A 67 1.127 13.560 10.892 1.00 4.63 N ATOM 0 H ARG A 67 2.102 9.202 3.388 1.00 0.56 H new ATOM 0 HA ARG A 67 4.173 9.476 5.494 1.00 0.63 H new ATOM 0 HB2 ARG A 67 2.735 11.518 5.112 1.00 0.84 H new ATOM 0 HB3 ARG A 67 1.320 10.538 5.441 1.00 0.84 H new ATOM 0 HG2 ARG A 67 2.125 10.132 7.743 1.00 1.49 H new ATOM 0 HG3 ARG A 67 3.559 11.086 7.418 1.00 1.49 H new ATOM 0 HD2 ARG A 67 2.154 13.069 6.945 1.00 2.24 H new ATOM 0 HD3 ARG A 67 0.704 12.121 7.213 1.00 2.24 H new ATOM 0 HE ARG A 67 2.523 12.052 9.498 1.00 2.85 H new ATOM 0 HH11 ARG A 67 0.050 14.034 7.894 1.00 4.32 H new ATOM 0 HH12 ARG A 67 -0.483 14.785 9.402 1.00 4.32 H new ATOM 0 HH21 ARG A 67 1.825 13.026 11.410 1.00 4.63 H new ATOM 0 HH22 ARG A 67 0.520 14.216 11.383 1.00 4.63 H new ATOM 998 N VAL A 68 2.121 7.153 4.953 1.00 0.39 N ATOM 999 CA VAL A 68 1.626 5.857 5.443 1.00 0.37 C ATOM 1000 C VAL A 68 2.803 4.937 5.771 1.00 0.38 C ATOM 1001 O VAL A 68 3.295 4.202 4.945 1.00 0.58 O ATOM 1002 CB VAL A 68 0.562 5.168 4.499 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -0.705 5.988 4.468 1.00 0.50 C ATOM 1004 CG2 VAL A 68 1.051 4.961 3.067 1.00 0.42 C ATOM 0 H VAL A 68 2.098 7.262 3.939 1.00 0.39 H new ATOM 0 HA VAL A 68 1.072 6.058 6.360 1.00 0.37 H new ATOM 0 HB VAL A 68 0.382 4.180 4.922 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.434 5.507 3.815 1.00 0.50 H new ATOM 0 HG12 VAL A 68 -1.114 6.064 5.475 1.00 0.50 H new ATOM 0 HG13 VAL A 68 -0.483 6.986 4.091 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.266 4.484 2.480 1.00 0.42 H new ATOM 0 HG22 VAL A 68 1.299 5.926 2.624 1.00 0.42 H new ATOM 0 HG23 VAL A 68 1.937 4.326 3.073 1.00 0.42 H new ATOM 1014 N ASP A 69 3.290 5.101 6.978 1.00 0.43 N ATOM 1015 CA ASP A 69 4.494 4.438 7.498 1.00 0.52 C ATOM 1016 C ASP A 69 4.386 2.910 7.530 1.00 0.35 C ATOM 1017 O ASP A 69 5.374 2.205 7.277 1.00 0.33 O ATOM 1018 CB ASP A 69 4.794 5.000 8.891 1.00 0.81 C ATOM 1019 CG ASP A 69 5.985 4.385 9.584 1.00 1.27 C ATOM 1020 OD1 ASP A 69 7.140 4.637 9.162 1.00 1.49 O ATOM 1021 OD2 ASP A 69 5.790 3.717 10.621 1.00 2.03 O ATOM 0 H ASP A 69 2.853 5.720 7.661 1.00 0.43 H new ATOM 0 HA ASP A 69 5.316 4.650 6.815 1.00 0.52 H new ATOM 0 HB2 ASP A 69 4.957 6.074 8.805 1.00 0.81 H new ATOM 0 HB3 ASP A 69 3.915 4.860 9.520 1.00 0.81 H new ATOM 1026 N THR A 70 3.214 2.401 7.840 1.00 0.32 N ATOM 1027 CA THR A 70 3.008 0.968 7.867 1.00 0.27 C ATOM 1028 C THR A 70 1.864 0.562 6.894 1.00 0.25 C ATOM 1029 O THR A 70 0.913 1.340 6.683 1.00 0.28 O ATOM 1030 CB THR A 70 2.718 0.471 9.315 1.00 0.35 C ATOM 1031 OG1 THR A 70 1.565 1.143 9.845 1.00 0.46 O ATOM 1032 CG2 THR A 70 3.903 0.748 10.230 1.00 0.41 C ATOM 0 H THR A 70 2.391 2.955 8.076 1.00 0.32 H new ATOM 0 HA THR A 70 3.926 0.485 7.531 1.00 0.27 H new ATOM 0 HB THR A 70 2.539 -0.603 9.270 1.00 0.35 H new ATOM 0 HG1 THR A 70 1.745 2.104 9.905 1.00 0.46 H new ATOM 0 HG21 THR A 70 3.677 0.392 11.235 1.00 0.41 H new ATOM 0 HG22 THR A 70 4.784 0.230 9.851 1.00 0.41 H new ATOM 0 HG23 THR A 70 4.097 1.820 10.259 1.00 0.41 H new ATOM 1040 N PRO A 71 1.946 -0.645 6.271 1.00 0.26 N ATOM 1041 CA PRO A 71 0.942 -1.137 5.308 1.00 0.27 C ATOM 1042 C PRO A 71 -0.459 -1.198 5.892 1.00 0.25 C ATOM 1043 O PRO A 71 -1.442 -0.970 5.184 1.00 0.27 O ATOM 1044 CB PRO A 71 1.429 -2.543 4.963 1.00 0.33 C ATOM 1045 CG PRO A 71 2.884 -2.493 5.230 1.00 0.37 C ATOM 1046 CD PRO A 71 3.040 -1.610 6.427 1.00 0.31 C ATOM 0 HA PRO A 71 0.860 -0.472 4.448 1.00 0.27 H new ATOM 0 HB2 PRO A 71 0.936 -3.298 5.576 1.00 0.33 H new ATOM 0 HB3 PRO A 71 1.222 -2.793 3.922 1.00 0.33 H new ATOM 0 HG2 PRO A 71 3.282 -3.489 5.423 1.00 0.37 H new ATOM 0 HG3 PRO A 71 3.427 -2.093 4.374 1.00 0.37 H new ATOM 0 HD2 PRO A 71 2.953 -2.172 7.357 1.00 0.31 H new ATOM 0 HD3 PRO A 71 4.013 -1.118 6.442 1.00 0.31 H new ATOM 1054 N ARG A 72 -0.545 -1.476 7.194 1.00 0.24 N ATOM 1055 CA ARG A 72 -1.820 -1.536 7.898 1.00 0.28 C ATOM 1056 C ARG A 72 -2.546 -0.182 7.824 1.00 0.27 C ATOM 1057 O ARG A 72 -3.768 -0.130 7.812 1.00 0.34 O ATOM 1058 CB ARG A 72 -1.608 -1.999 9.359 1.00 0.39 C ATOM 1059 CG ARG A 72 -2.866 -2.036 10.228 1.00 0.80 C ATOM 1060 CD ARG A 72 -2.605 -2.762 11.550 1.00 1.03 C ATOM 1061 NE ARG A 72 -2.352 -4.198 11.335 1.00 1.35 N ATOM 1062 CZ ARG A 72 -1.539 -4.982 12.075 1.00 2.07 C ATOM 1063 NH1 ARG A 72 -0.888 -4.496 13.130 1.00 2.71 N ATOM 1064 NH2 ARG A 72 -1.414 -6.264 11.776 1.00 2.59 N ATOM 0 H ARG A 72 0.265 -1.665 7.785 1.00 0.24 H new ATOM 0 HA ARG A 72 -2.458 -2.272 7.409 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -1.168 -2.996 9.345 1.00 0.39 H new ATOM 0 HB3 ARG A 72 -0.882 -1.336 9.830 1.00 0.39 H new ATOM 0 HG2 ARG A 72 -3.202 -1.019 10.429 1.00 0.80 H new ATOM 0 HG3 ARG A 72 -3.670 -2.536 9.688 1.00 0.80 H new ATOM 0 HD2 ARG A 72 -1.748 -2.311 12.051 1.00 1.03 H new ATOM 0 HD3 ARG A 72 -3.463 -2.637 12.211 1.00 1.03 H new ATOM 0 HE ARG A 72 -2.836 -4.641 10.554 1.00 1.35 H new ATOM 0 HH11 ARG A 72 -0.999 -3.516 13.391 1.00 2.71 H new ATOM 0 HH12 ARG A 72 -0.278 -5.103 13.677 1.00 2.71 H new ATOM 0 HH21 ARG A 72 -1.931 -6.657 10.989 1.00 2.59 H new ATOM 0 HH22 ARG A 72 -0.801 -6.860 12.332 1.00 2.59 H new ATOM 1078 N GLU A 73 -1.775 0.896 7.719 1.00 0.24 N ATOM 1079 CA GLU A 73 -2.326 2.241 7.608 1.00 0.28 C ATOM 1080 C GLU A 73 -2.823 2.500 6.188 1.00 0.25 C ATOM 1081 O GLU A 73 -3.959 2.934 5.998 1.00 0.26 O ATOM 1082 CB GLU A 73 -1.277 3.282 7.991 1.00 0.34 C ATOM 1083 CG GLU A 73 -0.798 3.170 9.419 1.00 0.46 C ATOM 1084 CD GLU A 73 0.287 4.157 9.729 1.00 1.12 C ATOM 1085 OE1 GLU A 73 -0.037 5.326 10.033 1.00 1.36 O ATOM 1086 OE2 GLU A 73 1.485 3.781 9.657 1.00 1.97 O ATOM 0 H GLU A 73 -0.756 0.862 7.709 1.00 0.24 H new ATOM 0 HA GLU A 73 -3.168 2.322 8.295 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.422 3.185 7.322 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.693 4.277 7.834 1.00 0.34 H new ATOM 0 HG2 GLU A 73 -1.637 3.330 10.096 1.00 0.46 H new ATOM 0 HG3 GLU A 73 -0.431 2.160 9.600 1.00 0.46 H new ATOM 1093 N LEU A 74 -1.973 2.191 5.192 1.00 0.24 N ATOM 1094 CA LEU A 74 -2.313 2.383 3.761 1.00 0.25 C ATOM 1095 C LEU A 74 -3.593 1.602 3.463 1.00 0.25 C ATOM 1096 O LEU A 74 -4.564 2.133 2.899 1.00 0.26 O ATOM 1097 CB LEU A 74 -1.152 1.843 2.874 1.00 0.28 C ATOM 1098 CG LEU A 74 -1.033 2.350 1.405 1.00 0.35 C ATOM 1099 CD1 LEU A 74 0.226 1.789 0.769 1.00 0.93 C ATOM 1100 CD2 LEU A 74 -2.237 1.966 0.551 1.00 0.88 C ATOM 0 H LEU A 74 -1.041 1.806 5.348 1.00 0.24 H new ATOM 0 HA LEU A 74 -2.460 3.441 3.546 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -0.215 2.074 3.380 1.00 0.28 H new ATOM 0 HB3 LEU A 74 -1.238 0.757 2.843 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.991 3.438 1.447 1.00 0.35 H new ATOM 0 HD11 LEU A 74 0.305 2.146 -0.258 1.00 0.93 H new ATOM 0 HD12 LEU A 74 1.097 2.118 1.336 1.00 0.93 H new ATOM 0 HD13 LEU A 74 0.181 0.700 0.772 1.00 0.93 H new ATOM 0 HD21 LEU A 74 -2.100 2.345 -0.462 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -2.332 0.880 0.523 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -3.141 2.398 0.981 1.00 0.88 H new ATOM 1112 N LEU A 75 -3.589 0.356 3.890 1.00 0.26 N ATOM 1113 CA LEU A 75 -4.697 -0.539 3.700 1.00 0.29 C ATOM 1114 C LEU A 75 -5.937 -0.045 4.429 1.00 0.29 C ATOM 1115 O LEU A 75 -7.041 -0.177 3.920 1.00 0.33 O ATOM 1116 CB LEU A 75 -4.327 -1.947 4.172 1.00 0.34 C ATOM 1117 CG LEU A 75 -5.428 -3.004 4.088 1.00 0.40 C ATOM 1118 CD1 LEU A 75 -5.890 -3.200 2.651 1.00 0.50 C ATOM 1119 CD2 LEU A 75 -4.945 -4.310 4.683 1.00 0.45 C ATOM 0 H LEU A 75 -2.802 -0.063 4.385 1.00 0.26 H new ATOM 0 HA LEU A 75 -4.926 -0.571 2.635 1.00 0.29 H new ATOM 0 HB2 LEU A 75 -3.477 -2.292 3.584 1.00 0.34 H new ATOM 0 HB3 LEU A 75 -3.993 -1.883 5.208 1.00 0.34 H new ATOM 0 HG LEU A 75 -6.284 -2.655 4.665 1.00 0.40 H new ATOM 0 HD11 LEU A 75 -6.673 -3.957 2.621 1.00 0.50 H new ATOM 0 HD12 LEU A 75 -6.280 -2.259 2.263 1.00 0.50 H new ATOM 0 HD13 LEU A 75 -5.048 -3.524 2.039 1.00 0.50 H new ATOM 0 HD21 LEU A 75 -5.738 -5.055 4.617 1.00 0.45 H new ATOM 0 HD22 LEU A 75 -4.072 -4.660 4.132 1.00 0.45 H new ATOM 0 HD23 LEU A 75 -4.677 -4.157 5.728 1.00 0.45 H new ATOM 1131 N ASP A 76 -5.752 0.565 5.588 1.00 0.28 N ATOM 1132 CA ASP A 76 -6.883 1.024 6.390 1.00 0.32 C ATOM 1133 C ASP A 76 -7.555 2.202 5.739 1.00 0.29 C ATOM 1134 O ASP A 76 -8.788 2.303 5.730 1.00 0.33 O ATOM 1135 CB ASP A 76 -6.467 1.394 7.794 1.00 0.37 C ATOM 1136 CG ASP A 76 -7.654 1.724 8.648 1.00 0.47 C ATOM 1137 OD1 ASP A 76 -8.304 0.782 9.158 1.00 0.60 O ATOM 1138 OD2 ASP A 76 -7.954 2.916 8.842 1.00 0.54 O ATOM 0 H ASP A 76 -4.837 0.755 5.996 1.00 0.28 H new ATOM 0 HA ASP A 76 -7.585 0.193 6.451 1.00 0.32 H new ATOM 0 HB2 ASP A 76 -5.914 0.568 8.241 1.00 0.37 H new ATOM 0 HB3 ASP A 76 -5.792 2.249 7.761 1.00 0.37 H new ATOM 1143 N LEU A 77 -6.748 3.080 5.168 1.00 0.24 N ATOM 1144 CA LEU A 77 -7.261 4.222 4.434 1.00 0.24 C ATOM 1145 C LEU A 77 -8.116 3.732 3.280 1.00 0.24 C ATOM 1146 O LEU A 77 -9.224 4.228 3.053 1.00 0.28 O ATOM 1147 CB LEU A 77 -6.125 5.103 3.912 1.00 0.27 C ATOM 1148 CG LEU A 77 -5.222 5.758 4.959 1.00 0.33 C ATOM 1149 CD1 LEU A 77 -4.185 6.628 4.278 1.00 0.43 C ATOM 1150 CD2 LEU A 77 -6.043 6.581 5.942 1.00 0.44 C ATOM 0 H LEU A 77 -5.730 3.022 5.200 1.00 0.24 H new ATOM 0 HA LEU A 77 -7.865 4.827 5.110 1.00 0.24 H new ATOM 0 HB2 LEU A 77 -5.500 4.498 3.256 1.00 0.27 H new ATOM 0 HB3 LEU A 77 -6.561 5.892 3.299 1.00 0.27 H new ATOM 0 HG LEU A 77 -4.713 4.973 5.517 1.00 0.33 H new ATOM 0 HD11 LEU A 77 -3.547 7.090 5.031 1.00 0.43 H new ATOM 0 HD12 LEU A 77 -3.576 6.016 3.613 1.00 0.43 H new ATOM 0 HD13 LEU A 77 -4.685 7.405 3.700 1.00 0.43 H new ATOM 0 HD21 LEU A 77 -5.380 7.037 6.677 1.00 0.44 H new ATOM 0 HD22 LEU A 77 -6.580 7.362 5.403 1.00 0.44 H new ATOM 0 HD23 LEU A 77 -6.758 5.934 6.450 1.00 0.44 H new ATOM 1162 N ILE A 78 -7.606 2.720 2.585 1.00 0.23 N ATOM 1163 CA ILE A 78 -8.334 2.081 1.510 1.00 0.25 C ATOM 1164 C ILE A 78 -9.577 1.348 2.037 1.00 0.29 C ATOM 1165 O ILE A 78 -10.616 1.390 1.410 1.00 0.32 O ATOM 1166 CB ILE A 78 -7.420 1.151 0.643 1.00 0.27 C ATOM 1167 CG1 ILE A 78 -6.484 2.010 -0.220 1.00 0.28 C ATOM 1168 CG2 ILE A 78 -8.230 0.192 -0.224 1.00 0.41 C ATOM 1169 CD1 ILE A 78 -5.654 1.237 -1.221 1.00 0.32 C ATOM 0 H ILE A 78 -6.681 2.326 2.755 1.00 0.23 H new ATOM 0 HA ILE A 78 -8.682 2.870 0.843 1.00 0.25 H new ATOM 0 HB ILE A 78 -6.827 0.535 1.320 1.00 0.27 H new ATOM 0 HG12 ILE A 78 -7.082 2.746 -0.757 1.00 0.28 H new ATOM 0 HG13 ILE A 78 -5.813 2.563 0.437 1.00 0.28 H new ATOM 0 HG21 ILE A 78 -7.553 -0.432 -0.807 1.00 0.41 H new ATOM 0 HG22 ILE A 78 -8.848 -0.440 0.413 1.00 0.41 H new ATOM 0 HG23 ILE A 78 -8.869 0.762 -0.899 1.00 0.41 H new ATOM 0 HD11 ILE A 78 -5.025 1.928 -1.783 1.00 0.32 H new ATOM 0 HD12 ILE A 78 -5.024 0.520 -0.695 1.00 0.32 H new ATOM 0 HD13 ILE A 78 -6.313 0.706 -1.907 1.00 0.32 H new ATOM 1181 N ASN A 79 -9.466 0.718 3.201 1.00 0.33 N ATOM 1182 CA ASN A 79 -10.607 0.049 3.846 1.00 0.41 C ATOM 1183 C ASN A 79 -11.743 1.017 4.063 1.00 0.41 C ATOM 1184 O ASN A 79 -12.873 0.759 3.656 1.00 0.53 O ATOM 1185 CB ASN A 79 -10.212 -0.588 5.193 1.00 0.53 C ATOM 1186 CG ASN A 79 -9.651 -2.005 5.109 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.804 -2.795 6.046 1.00 1.20 O ATOM 1188 ND2 ASN A 79 -8.995 -2.336 4.032 1.00 0.71 N ATOM 0 H ASN A 79 -8.594 0.652 3.726 1.00 0.33 H new ATOM 0 HA ASN A 79 -10.930 -0.745 3.173 1.00 0.41 H new ATOM 0 HB2 ASN A 79 -9.470 0.050 5.673 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -11.089 -0.601 5.840 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -8.592 -3.269 3.947 1.00 0.71 H new ATOM 0 HD22 ASN A 79 -8.885 -1.662 3.274 1.00 0.71 H new ATOM 1195 N GLY A 80 -11.422 2.158 4.653 1.00 0.39 N ATOM 1196 CA GLY A 80 -12.420 3.164 4.931 1.00 0.45 C ATOM 1197 C GLY A 80 -12.987 3.775 3.663 1.00 0.43 C ATOM 1198 O GLY A 80 -14.167 4.138 3.608 1.00 0.55 O ATOM 0 H GLY A 80 -10.477 2.405 4.946 1.00 0.39 H new ATOM 0 HA2 GLY A 80 -13.229 2.720 5.512 1.00 0.45 H new ATOM 0 HA3 GLY A 80 -11.980 3.949 5.546 1.00 0.45 H new ATOM 1202 N ALA A 81 -12.157 3.863 2.643 1.00 0.34 N ATOM 1203 CA ALA A 81 -12.545 4.441 1.375 1.00 0.36 C ATOM 1204 C ALA A 81 -13.420 3.476 0.587 1.00 0.34 C ATOM 1205 O ALA A 81 -14.521 3.824 0.172 1.00 0.42 O ATOM 1206 CB ALA A 81 -11.313 4.828 0.578 1.00 0.38 C ATOM 0 H ALA A 81 -11.192 3.534 2.672 1.00 0.34 H new ATOM 0 HA ALA A 81 -13.129 5.341 1.567 1.00 0.36 H new ATOM 0 HB1 ALA A 81 -11.617 5.262 -0.374 1.00 0.38 H new ATOM 0 HB2 ALA A 81 -10.731 5.558 1.140 1.00 0.38 H new ATOM 0 HB3 ALA A 81 -10.705 3.942 0.395 1.00 0.38 H new ATOM 1212 N LEU A 82 -12.946 2.246 0.429 1.00 0.29 N ATOM 1213 CA LEU A 82 -13.662 1.204 -0.309 1.00 0.31 C ATOM 1214 C LEU A 82 -14.991 0.876 0.316 1.00 0.40 C ATOM 1215 O LEU A 82 -15.925 0.485 -0.379 1.00 0.53 O ATOM 1216 CB LEU A 82 -12.830 -0.074 -0.463 1.00 0.33 C ATOM 1217 CG LEU A 82 -11.700 -0.040 -1.492 1.00 0.36 C ATOM 1218 CD1 LEU A 82 -11.023 -1.394 -1.560 1.00 0.47 C ATOM 1219 CD2 LEU A 82 -12.251 0.332 -2.854 1.00 0.41 C ATOM 0 H LEU A 82 -12.051 1.939 0.809 1.00 0.29 H new ATOM 0 HA LEU A 82 -13.842 1.616 -1.302 1.00 0.31 H new ATOM 0 HB2 LEU A 82 -12.398 -0.318 0.508 1.00 0.33 H new ATOM 0 HB3 LEU A 82 -13.504 -0.889 -0.726 1.00 0.33 H new ATOM 0 HG LEU A 82 -10.967 0.709 -1.190 1.00 0.36 H new ATOM 0 HD11 LEU A 82 -10.219 -1.362 -2.295 1.00 0.47 H new ATOM 0 HD12 LEU A 82 -10.611 -1.644 -0.582 1.00 0.47 H new ATOM 0 HD13 LEU A 82 -11.751 -2.151 -1.851 1.00 0.47 H new ATOM 0 HD21 LEU A 82 -11.439 0.354 -3.581 1.00 0.41 H new ATOM 0 HD22 LEU A 82 -12.993 -0.406 -3.160 1.00 0.41 H new ATOM 0 HD23 LEU A 82 -12.718 1.316 -2.801 1.00 0.41 H new ATOM 1231 N ALA A 83 -15.091 1.072 1.625 1.00 0.44 N ATOM 1232 CA ALA A 83 -16.326 0.827 2.353 1.00 0.56 C ATOM 1233 C ALA A 83 -17.438 1.797 1.922 1.00 0.67 C ATOM 1234 O ALA A 83 -18.588 1.657 2.331 1.00 0.80 O ATOM 1235 CB ALA A 83 -16.094 0.912 3.852 1.00 0.67 C ATOM 0 H ALA A 83 -14.322 1.403 2.207 1.00 0.44 H new ATOM 0 HA ALA A 83 -16.655 -0.183 2.110 1.00 0.56 H new ATOM 0 HB1 ALA A 83 -17.031 0.725 4.376 1.00 0.67 H new ATOM 0 HB2 ALA A 83 -15.357 0.166 4.149 1.00 0.67 H new ATOM 0 HB3 ALA A 83 -15.727 1.906 4.108 1.00 0.67 H new ATOM 1241 N GLU A 84 -17.087 2.796 1.120 1.00 0.78 N ATOM 1242 CA GLU A 84 -18.055 3.728 0.593 1.00 1.04 C ATOM 1243 C GLU A 84 -17.956 3.848 -0.938 1.00 1.08 C ATOM 1244 O GLU A 84 -18.979 3.859 -1.631 1.00 1.41 O ATOM 1245 CB GLU A 84 -17.895 5.097 1.236 1.00 1.29 C ATOM 1246 CG GLU A 84 -18.133 5.112 2.734 1.00 1.69 C ATOM 1247 CD GLU A 84 -18.031 6.491 3.297 1.00 2.22 C ATOM 1248 OE1 GLU A 84 -18.969 7.282 3.107 1.00 2.44 O ATOM 1249 OE2 GLU A 84 -17.016 6.819 3.930 1.00 3.00 O ATOM 0 H GLU A 84 -16.128 2.975 0.823 1.00 0.78 H new ATOM 0 HA GLU A 84 -19.043 3.337 0.836 1.00 1.04 H new ATOM 0 HB2 GLU A 84 -16.889 5.465 1.036 1.00 1.29 H new ATOM 0 HB3 GLU A 84 -18.588 5.792 0.762 1.00 1.29 H new ATOM 0 HG2 GLU A 84 -19.120 4.703 2.949 1.00 1.69 H new ATOM 0 HG3 GLU A 84 -17.406 4.464 3.224 1.00 1.69 H new ATOM 1256 N ALA A 85 -16.735 3.887 -1.454 1.00 1.08 N ATOM 1257 CA ALA A 85 -16.460 4.097 -2.890 1.00 1.26 C ATOM 1258 C ALA A 85 -16.586 2.815 -3.738 1.00 1.86 C ATOM 1259 O ALA A 85 -16.007 2.716 -4.836 1.00 2.41 O ATOM 1260 CB ALA A 85 -15.069 4.702 -3.058 1.00 1.50 C ATOM 0 H ALA A 85 -15.892 3.774 -0.891 1.00 1.08 H new ATOM 0 HA ALA A 85 -17.223 4.781 -3.260 1.00 1.26 H new ATOM 0 HB1 ALA A 85 -14.865 4.857 -4.117 1.00 1.50 H new ATOM 0 HB2 ALA A 85 -15.022 5.658 -2.536 1.00 1.50 H new ATOM 0 HB3 ALA A 85 -14.324 4.024 -2.641 1.00 1.50 H new ATOM 1266 N ALA A 86 -17.342 1.860 -3.258 1.00 2.51 N ATOM 1267 CA ALA A 86 -17.577 0.641 -3.992 1.00 3.40 C ATOM 1268 C ALA A 86 -19.035 0.250 -3.835 1.00 3.97 C ATOM 1269 O ALA A 86 -19.352 -0.609 -2.992 1.00 4.31 O ATOM 1270 CB ALA A 86 -16.649 -0.471 -3.514 1.00 4.16 C ATOM 1271 OXT ALA A 86 -19.887 0.869 -4.493 1.00 4.46 O ATOM 0 H ALA A 86 -17.810 1.904 -2.353 1.00 2.51 H new ATOM 0 HA ALA A 86 -17.361 0.802 -5.048 1.00 3.40 H new ATOM 0 HB1 ALA A 86 -16.846 -1.379 -4.083 1.00 4.16 H new ATOM 0 HB2 ALA A 86 -15.612 -0.168 -3.662 1.00 4.16 H new ATOM 0 HB3 ALA A 86 -16.824 -0.661 -2.455 1.00 4.16 H new TER 1277 ALA A 86 HETATM 1278 P24 SXM A 87 8.891 10.673 -1.656 1.00 1.21 P HETATM 1279 O26 SXM A 87 8.895 10.721 -3.137 1.00 1.74 O HETATM 1280 O23 SXM A 87 9.995 11.339 -0.937 1.00 1.80 O HETATM 1281 O27 SXM A 87 7.506 11.202 -1.088 1.00 1.38 O HETATM 1282 C28 SXM A 87 7.102 12.603 -1.308 1.00 1.45 C HETATM 1283 C29 SXM A 87 5.665 12.829 -0.765 1.00 1.80 C HETATM 1284 C30 SXM A 87 4.723 11.954 -1.579 1.00 2.11 C HETATM 1285 C31 SXM A 87 5.601 12.425 0.706 1.00 2.36 C HETATM 1286 C32 SXM A 87 5.220 14.350 -0.870 1.00 2.39 C HETATM 1287 O33 SXM A 87 3.899 14.540 -0.309 1.00 2.90 O HETATM 1288 C34 SXM A 87 5.180 14.845 -2.307 1.00 3.07 C HETATM 1289 O35 SXM A 87 6.184 14.912 -3.016 1.00 3.59 O HETATM 1290 N36 SXM A 87 4.002 15.243 -2.693 1.00 3.60 N HETATM 1291 C37 SXM A 87 3.692 15.788 -4.013 1.00 4.62 C HETATM 1292 C38 SXM A 87 2.378 16.551 -4.012 1.00 5.30 C HETATM 1293 C39 SXM A 87 2.078 17.228 -5.341 1.00 5.85 C HETATM 1294 O40 SXM A 87 2.784 17.049 -6.346 1.00 6.03 O HETATM 1295 N41 SXM A 87 1.021 18.010 -5.322 1.00 6.44 N HETATM 1296 C42 SXM A 87 0.539 18.771 -6.454 1.00 7.23 C HETATM 1297 C43 SXM A 87 -0.493 19.784 -6.005 1.00 7.98 C HETATM 1298 S1 SXM A 87 -1.827 18.958 -5.273 1.00 8.65 S HETATM 1299 C1 SXM A 87 -2.559 18.280 -6.706 1.00 9.38 C HETATM 1300 O1 SXM A 87 -2.213 18.565 -7.885 1.00 9.42 O HETATM 1301 C2 SXM A 87 -3.717 17.321 -6.424 1.00 10.27 C HETATM 1302 C3 SXM A 87 -5.103 17.966 -6.340 1.00 10.74 C HETATM 1303 O3A SXM A 87 -5.208 19.199 -6.116 1.00 10.77 O HETATM 1304 O3B SXM A 87 -6.127 17.245 -6.518 1.00 11.31 O HETATM 0 HO3B SXM A 87 -6.924 17.729 -6.218 1.00 11.31 H new HETATM 0 HO33 SXM A 87 3.771 15.486 -0.087 1.00 2.90 H new HETATM 0 HN41 SXM A 87 0.504 18.085 -4.446 1.00 6.44 H new HETATM 0 HN36 SXM A 87 3.237 15.169 -2.023 1.00 3.60 H new HETATM 0 H43A SXM A 87 -0.049 20.482 -5.295 1.00 7.98 H new HETATM 0 H42A SXM A 87 1.371 19.280 -6.939 1.00 7.23 H new HETATM 0 H38A SXM A 87 1.567 15.865 -3.770 1.00 5.30 H new HETATM 0 H37A SXM A 87 4.497 16.450 -4.331 1.00 4.62 H new HETATM 0 H31B SXM A 87 5.863 11.372 0.806 1.00 2.36 H new HETATM 0 H31A SXM A 87 6.303 13.030 1.280 1.00 2.36 H new HETATM 0 H30B SXM A 87 4.781 12.237 -2.630 1.00 2.11 H new HETATM 0 H30A SXM A 87 5.011 10.909 -1.468 1.00 2.11 H new HETATM 0 H28A SXM A 87 7.799 13.275 -0.807 1.00 1.45 H new HETATM 0 H43 SXM A 87 -0.837 20.371 -6.856 1.00 7.98 H new HETATM 0 H42 SXM A 87 0.102 18.099 -7.193 1.00 7.23 H new HETATM 0 H38 SXM A 87 2.403 17.305 -3.225 1.00 5.30 H new HETATM 0 H37 SXM A 87 3.641 14.976 -4.739 1.00 4.62 H new HETATM 0 H32 SXM A 87 5.966 14.917 -0.313 1.00 2.39 H new HETATM 0 H31 SXM A 87 4.591 12.585 1.084 1.00 2.36 H new HETATM 0 H30 SXM A 87 3.702 12.089 -1.222 1.00 2.11 H new HETATM 0 H2A SXM A 87 -3.736 16.562 -7.206 1.00 10.27 H new HETATM 0 H28 SXM A 87 7.140 12.839 -2.371 1.00 1.45 H new HETATM 0 H2 SXM A 87 -3.518 16.806 -5.484 1.00 10.27 H new