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 -161:sc= -0.0708 (180deg=-0.535) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0759) USER MOD Single : A 3 THR OG1 : rot 52:sc= 0.156 USER MOD Single : A 6 THR OG1 : rot -63:sc= 1.15 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 81:sc= 1.26 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 180:sc= -0.0347 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.442 USER MOD Single : A 46 MET CE :methyl -121:sc= -0.0974 (180deg=-3.16!) USER MOD Single : A 48 THR OG1 : rot 78:sc= 0.0251 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.71 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.625 USER MOD Single : A 79 ASN : amide:sc= 2.09 K(o=2.1,f=-9.8!) USER MOD Single : A 87 SXH O33 : rot 46:sc= 0.216 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.136 -9.257 -0.068 1.00 5.89 N ATOM 2 CA MET A 1 17.277 -9.666 0.756 1.00 5.39 C ATOM 3 C MET A 1 16.803 -10.577 1.869 1.00 4.66 C ATOM 4 O MET A 1 17.384 -11.636 2.116 1.00 4.91 O ATOM 5 CB MET A 1 17.989 -8.441 1.339 1.00 5.72 C ATOM 6 CG MET A 1 19.157 -8.776 2.259 1.00 6.12 C ATOM 7 SD MET A 1 20.022 -7.307 2.865 1.00 6.79 S ATOM 8 CE MET A 1 20.723 -6.676 1.343 1.00 7.46 C ATOM 0 H1 MET A 1 16.480 -8.760 -0.915 1.00 5.89 H new ATOM 0 H2 MET A 1 15.596 -10.098 -0.355 1.00 5.89 H new ATOM 0 H3 MET A 1 15.522 -8.622 0.481 1.00 5.89 H new ATOM 0 HA MET A 1 17.987 -10.206 0.129 1.00 5.39 H new ATOM 0 HB2 MET A 1 18.353 -7.822 0.519 1.00 5.72 H new ATOM 0 HB3 MET A 1 17.265 -7.843 1.893 1.00 5.72 H new ATOM 0 HG2 MET A 1 18.790 -9.351 3.109 1.00 6.12 H new ATOM 0 HG3 MET A 1 19.863 -9.412 1.725 1.00 6.12 H new ATOM 0 HE1 MET A 1 21.541 -5.993 1.575 1.00 7.46 H new ATOM 0 HE2 MET A 1 21.101 -7.505 0.745 1.00 7.46 H new ATOM 0 HE3 MET A 1 19.955 -6.144 0.781 1.00 7.46 H new ATOM 20 N ALA A 2 15.743 -10.176 2.527 1.00 4.17 N ATOM 21 CA ALA A 2 15.167 -10.949 3.585 1.00 3.77 C ATOM 22 C ALA A 2 13.674 -11.000 3.385 1.00 2.58 C ATOM 23 O ALA A 2 13.104 -12.036 3.055 1.00 2.61 O ATOM 24 CB ALA A 2 15.509 -10.338 4.937 1.00 4.69 C ATOM 0 H ALA A 2 15.258 -9.299 2.338 1.00 4.17 H new ATOM 0 HA ALA A 2 15.572 -11.961 3.567 1.00 3.77 H new ATOM 0 HB1 ALA A 2 15.063 -10.938 5.731 1.00 4.69 H new ATOM 0 HB2 ALA A 2 16.591 -10.316 5.063 1.00 4.69 H new ATOM 0 HB3 ALA A 2 15.117 -9.322 4.987 1.00 4.69 H new ATOM 30 N THR A 3 13.062 -9.879 3.528 1.00 2.17 N ATOM 31 CA THR A 3 11.667 -9.744 3.385 1.00 1.65 C ATOM 32 C THR A 3 11.329 -9.014 2.085 1.00 1.51 C ATOM 33 O THR A 3 11.616 -7.828 1.933 1.00 2.34 O ATOM 34 CB THR A 3 11.191 -8.935 4.579 1.00 2.61 C ATOM 35 OG1 THR A 3 12.189 -7.933 4.859 1.00 3.14 O ATOM 36 CG2 THR A 3 11.010 -9.825 5.797 1.00 3.14 C ATOM 0 H THR A 3 13.539 -9.006 3.755 1.00 2.17 H new ATOM 0 HA THR A 3 11.181 -10.719 3.345 1.00 1.65 H new ATOM 0 HB THR A 3 10.229 -8.476 4.351 1.00 2.61 H new ATOM 0 HG1 THR A 3 12.396 -7.439 4.038 1.00 3.14 H new ATOM 0 HG21 THR A 3 10.669 -9.224 6.640 1.00 3.14 H new ATOM 0 HG22 THR A 3 10.271 -10.595 5.578 1.00 3.14 H new ATOM 0 HG23 THR A 3 11.961 -10.295 6.048 1.00 3.14 H new ATOM 44 N LEU A 4 10.845 -9.743 1.120 1.00 1.02 N ATOM 45 CA LEU A 4 10.333 -9.137 -0.085 1.00 0.89 C ATOM 46 C LEU A 4 8.843 -9.077 0.052 1.00 0.82 C ATOM 47 O LEU A 4 8.221 -10.072 0.415 1.00 1.00 O ATOM 48 CB LEU A 4 10.719 -9.927 -1.343 1.00 0.93 C ATOM 49 CG LEU A 4 12.205 -9.958 -1.700 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.421 -10.783 -2.953 1.00 1.31 C ATOM 51 CD2 LEU A 4 12.742 -8.546 -1.895 1.00 1.09 C ATOM 0 H LEU A 4 10.792 -10.761 1.141 1.00 1.02 H new ATOM 0 HA LEU A 4 10.765 -8.143 -0.204 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.376 -10.954 -1.219 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.174 -9.509 -2.189 1.00 0.93 H new ATOM 0 HG LEU A 4 12.750 -10.418 -0.876 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.483 -10.799 -3.199 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.072 -11.802 -2.783 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.863 -10.342 -3.779 1.00 1.31 H new ATOM 0 HD21 LEU A 4 13.801 -8.591 -2.148 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.196 -8.057 -2.702 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.613 -7.977 -0.974 1.00 1.09 H new ATOM 63 N LEU A 5 8.275 -7.938 -0.193 1.00 0.69 N ATOM 64 CA LEU A 5 6.858 -7.752 -0.024 1.00 0.62 C ATOM 65 C LEU A 5 6.171 -8.274 -1.291 1.00 0.51 C ATOM 66 O LEU A 5 6.507 -7.864 -2.402 1.00 0.50 O ATOM 67 CB LEU A 5 6.600 -6.228 0.222 1.00 0.64 C ATOM 68 CG LEU A 5 5.226 -5.768 0.777 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.292 -4.307 1.166 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.126 -5.934 -0.230 1.00 1.01 C ATOM 0 H LEU A 5 8.774 -7.109 -0.515 1.00 0.69 H new ATOM 0 HA LEU A 5 6.455 -8.298 0.829 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.366 -5.874 0.911 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.760 -5.712 -0.725 1.00 0.64 H new ATOM 0 HG LEU A 5 5.006 -6.394 1.642 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.324 -3.990 1.555 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.054 -4.169 1.933 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.545 -3.709 0.291 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.183 -5.599 0.203 1.00 1.01 H new ATOM 0 HD22 LEU A 5 4.350 -5.339 -1.115 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.044 -6.984 -0.510 1.00 1.01 H new ATOM 82 N THR A 6 5.273 -9.206 -1.139 1.00 0.53 N ATOM 83 CA THR A 6 4.549 -9.735 -2.266 1.00 0.54 C ATOM 84 C THR A 6 3.113 -9.218 -2.269 1.00 0.47 C ATOM 85 O THR A 6 2.728 -8.490 -1.357 1.00 0.45 O ATOM 86 CB THR A 6 4.582 -11.288 -2.293 1.00 0.74 C ATOM 87 OG1 THR A 6 4.123 -11.836 -1.031 1.00 0.84 O ATOM 88 CG2 THR A 6 5.986 -11.791 -2.585 1.00 1.01 C ATOM 0 H THR A 6 5.022 -9.619 -0.241 1.00 0.53 H new ATOM 0 HA THR A 6 5.044 -9.386 -3.172 1.00 0.54 H new ATOM 0 HB THR A 6 3.913 -11.620 -3.087 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.730 -11.558 -0.314 1.00 0.84 H new ATOM 0 HG21 THR A 6 5.986 -12.881 -2.599 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.313 -11.415 -3.555 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.667 -11.438 -1.811 1.00 1.01 H new ATOM 96 N THR A 7 2.322 -9.594 -3.269 1.00 0.53 N ATOM 97 CA THR A 7 0.911 -9.223 -3.342 1.00 0.55 C ATOM 98 C THR A 7 0.186 -9.686 -2.066 1.00 0.49 C ATOM 99 O THR A 7 -0.711 -9.009 -1.560 1.00 0.47 O ATOM 100 CB THR A 7 0.248 -9.848 -4.590 1.00 0.73 C ATOM 101 OG1 THR A 7 1.082 -9.577 -5.737 1.00 0.83 O ATOM 102 CG2 THR A 7 -1.140 -9.242 -4.830 1.00 0.95 C ATOM 0 H THR A 7 2.640 -10.165 -4.052 1.00 0.53 H new ATOM 0 HA THR A 7 0.837 -8.139 -3.423 1.00 0.55 H new ATOM 0 HB THR A 7 0.138 -10.921 -4.434 1.00 0.73 H new ATOM 0 HG1 THR A 7 0.675 -9.969 -6.537 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.588 -9.697 -5.714 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.774 -9.431 -3.964 1.00 0.95 H new ATOM 0 HG23 THR A 7 -1.046 -8.167 -4.984 1.00 0.95 H new ATOM 110 N ASP A 8 0.615 -10.832 -1.545 1.00 0.57 N ATOM 111 CA ASP A 8 0.093 -11.365 -0.302 1.00 0.61 C ATOM 112 C ASP A 8 0.366 -10.418 0.844 1.00 0.54 C ATOM 113 O ASP A 8 -0.540 -10.058 1.583 1.00 0.53 O ATOM 114 CB ASP A 8 0.707 -12.719 0.019 1.00 0.81 C ATOM 115 CG ASP A 8 0.170 -13.273 1.313 1.00 1.41 C ATOM 116 OD1 ASP A 8 -0.955 -13.844 1.331 1.00 1.86 O ATOM 117 OD2 ASP A 8 0.855 -13.150 2.330 1.00 2.14 O ATOM 0 H ASP A 8 1.334 -11.413 -1.976 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.983 -11.483 -0.429 1.00 0.61 H new ATOM 0 HB2 ASP A 8 0.498 -13.417 -0.792 1.00 0.81 H new ATOM 0 HB3 ASP A 8 1.791 -12.622 0.085 1.00 0.81 H new ATOM 122 N ASP A 9 1.619 -9.980 0.956 1.00 0.55 N ATOM 123 CA ASP A 9 2.051 -9.075 2.043 1.00 0.57 C ATOM 124 C ASP A 9 1.380 -7.741 1.898 1.00 0.50 C ATOM 125 O ASP A 9 1.065 -7.071 2.886 1.00 0.57 O ATOM 126 CB ASP A 9 3.565 -8.860 2.033 1.00 0.65 C ATOM 127 CG ASP A 9 4.343 -10.125 2.170 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.439 -10.645 3.292 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.877 -10.622 1.168 1.00 1.61 O ATOM 0 H ASP A 9 2.364 -10.234 0.307 1.00 0.55 H new ATOM 0 HA ASP A 9 1.769 -9.545 2.985 1.00 0.57 H new ATOM 0 HB2 ASP A 9 3.848 -8.367 1.103 1.00 0.65 H new ATOM 0 HB3 ASP A 9 3.834 -8.186 2.846 1.00 0.65 H new ATOM 134 N LEU A 10 1.150 -7.371 0.662 1.00 0.43 N ATOM 135 CA LEU A 10 0.473 -6.155 0.332 1.00 0.43 C ATOM 136 C LEU A 10 -0.949 -6.266 0.850 1.00 0.41 C ATOM 137 O LEU A 10 -1.417 -5.395 1.569 1.00 0.47 O ATOM 138 CB LEU A 10 0.499 -5.957 -1.187 1.00 0.46 C ATOM 139 CG LEU A 10 -0.026 -4.634 -1.732 1.00 0.57 C ATOM 140 CD1 LEU A 10 0.808 -3.466 -1.221 1.00 0.88 C ATOM 141 CD2 LEU A 10 -0.017 -4.672 -3.246 1.00 0.79 C ATOM 0 H LEU A 10 1.435 -7.919 -0.150 1.00 0.43 H new ATOM 0 HA LEU A 10 0.959 -5.292 0.788 1.00 0.43 H new ATOM 0 HB2 LEU A 10 1.529 -6.075 -1.524 1.00 0.46 H new ATOM 0 HB3 LEU A 10 -0.079 -6.761 -1.641 1.00 0.46 H new ATOM 0 HG LEU A 10 -1.048 -4.490 -1.383 1.00 0.57 H new ATOM 0 HD11 LEU A 10 0.413 -2.533 -1.624 1.00 0.88 H new ATOM 0 HD12 LEU A 10 0.766 -3.438 -0.132 1.00 0.88 H new ATOM 0 HD13 LEU A 10 1.843 -3.590 -1.541 1.00 0.88 H new ATOM 0 HD21 LEU A 10 -0.392 -3.726 -3.636 1.00 0.79 H new ATOM 0 HD22 LEU A 10 1.001 -4.832 -3.600 1.00 0.79 H new ATOM 0 HD23 LEU A 10 -0.654 -5.486 -3.593 1.00 0.79 H new ATOM 153 N ARG A 11 -1.607 -7.378 0.515 1.00 0.39 N ATOM 154 CA ARG A 11 -2.935 -7.684 1.029 1.00 0.44 C ATOM 155 C ARG A 11 -2.972 -7.588 2.539 1.00 0.44 C ATOM 156 O ARG A 11 -3.866 -6.972 3.081 1.00 0.48 O ATOM 157 CB ARG A 11 -3.413 -9.080 0.611 1.00 0.52 C ATOM 158 CG ARG A 11 -4.726 -9.479 1.287 1.00 0.70 C ATOM 159 CD ARG A 11 -5.123 -10.900 0.997 1.00 0.85 C ATOM 160 NE ARG A 11 -4.093 -11.857 1.384 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.284 -12.893 2.213 1.00 1.67 C ATOM 162 NH1 ARG A 11 -5.404 -12.988 2.940 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.335 -13.788 2.359 1.00 2.23 N ATOM 0 H ARG A 11 -1.233 -8.086 -0.117 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.606 -6.942 0.595 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -3.543 -9.107 -0.471 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.644 -9.812 0.858 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.629 -9.346 2.365 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.519 -8.810 0.953 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -6.047 -11.131 1.527 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.331 -11.006 -0.068 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.159 -11.729 0.995 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -6.122 -12.268 2.866 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -5.539 -13.781 3.568 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -2.460 -13.692 1.844 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -3.473 -14.579 2.988 1.00 2.23 H new ATOM 177 N ARG A 12 -1.978 -8.191 3.196 1.00 0.47 N ATOM 178 CA ARG A 12 -1.899 -8.243 4.662 1.00 0.54 C ATOM 179 C ARG A 12 -1.965 -6.846 5.261 1.00 0.54 C ATOM 180 O ARG A 12 -2.794 -6.566 6.123 1.00 0.62 O ATOM 181 CB ARG A 12 -0.591 -8.893 5.125 1.00 0.64 C ATOM 182 CG ARG A 12 -0.295 -10.277 4.573 1.00 1.04 C ATOM 183 CD ARG A 12 -1.360 -11.286 4.918 1.00 1.27 C ATOM 184 NE ARG A 12 -0.977 -12.639 4.499 1.00 1.78 N ATOM 185 CZ ARG A 12 -1.509 -13.761 4.989 1.00 2.34 C ATOM 186 NH1 ARG A 12 -2.650 -13.722 5.663 1.00 2.59 N ATOM 187 NH2 ARG A 12 -0.953 -14.932 4.721 1.00 3.25 N ATOM 0 H ARG A 12 -1.202 -8.659 2.727 1.00 0.47 H new ATOM 0 HA ARG A 12 -2.748 -8.837 5.001 1.00 0.54 H new ATOM 0 HB2 ARG A 12 0.233 -8.233 4.854 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.606 -8.955 6.213 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -0.196 -10.217 3.489 1.00 1.04 H new ATOM 0 HG3 ARG A 12 0.664 -10.620 4.962 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -1.539 -11.274 5.993 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -2.297 -11.007 4.436 1.00 1.27 H new ATOM 0 HE ARG A 12 -0.255 -12.728 3.784 1.00 1.78 H new ATOM 0 HH11 ARG A 12 -3.126 -12.832 5.809 1.00 2.59 H new ATOM 0 HH12 ARG A 12 -3.052 -14.582 6.035 1.00 2.59 H new ATOM 0 HH21 ARG A 12 -0.117 -14.978 4.139 1.00 3.25 H new ATOM 0 HH22 ARG A 12 -1.361 -15.788 5.096 1.00 3.25 H new ATOM 201 N ALA A 13 -1.111 -5.970 4.768 1.00 0.52 N ATOM 202 CA ALA A 13 -1.038 -4.611 5.269 1.00 0.59 C ATOM 203 C ALA A 13 -2.336 -3.860 5.001 1.00 0.59 C ATOM 204 O ALA A 13 -2.899 -3.221 5.905 1.00 0.69 O ATOM 205 CB ALA A 13 0.135 -3.882 4.639 1.00 0.66 C ATOM 0 H ALA A 13 -0.454 -6.177 4.016 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.889 -4.653 6.348 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.179 -2.863 5.023 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.061 -4.402 4.884 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.009 -3.856 3.557 1.00 0.66 H new ATOM 211 N LEU A 14 -2.825 -3.963 3.782 1.00 0.52 N ATOM 212 CA LEU A 14 -4.038 -3.305 3.374 1.00 0.55 C ATOM 213 C LEU A 14 -5.267 -3.839 4.134 1.00 0.58 C ATOM 214 O LEU A 14 -6.030 -3.065 4.667 1.00 0.68 O ATOM 215 CB LEU A 14 -4.212 -3.447 1.855 1.00 0.52 C ATOM 216 CG LEU A 14 -3.378 -2.516 0.922 1.00 0.56 C ATOM 217 CD1 LEU A 14 -3.957 -1.127 0.877 1.00 1.30 C ATOM 218 CD2 LEU A 14 -1.910 -2.416 1.317 1.00 1.05 C ATOM 0 H LEU A 14 -2.384 -4.512 3.044 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.958 -2.247 3.625 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.979 -4.478 1.589 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -5.266 -3.289 1.625 1.00 0.52 H new ATOM 0 HG LEU A 14 -3.431 -2.981 -0.062 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.353 -0.502 0.219 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -4.979 -1.171 0.500 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.959 -0.701 1.880 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -1.391 -1.753 0.625 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -1.832 -2.018 2.329 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -1.455 -3.406 1.280 1.00 1.05 H new ATOM 230 N VAL A 15 -5.406 -5.157 4.250 1.00 0.57 N ATOM 231 CA VAL A 15 -6.587 -5.756 4.897 1.00 0.66 C ATOM 232 C VAL A 15 -6.631 -5.447 6.413 1.00 0.72 C ATOM 233 O VAL A 15 -7.691 -5.499 7.050 1.00 0.91 O ATOM 234 CB VAL A 15 -6.719 -7.306 4.635 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.679 -8.118 5.394 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.125 -7.811 4.929 1.00 1.01 C ATOM 0 H VAL A 15 -4.724 -5.834 3.909 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.450 -5.284 4.428 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.525 -7.451 3.572 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -5.816 -9.177 5.177 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.680 -7.810 5.084 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.795 -7.949 6.464 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.174 -8.883 4.736 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.370 -7.619 5.974 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.839 -7.294 4.288 1.00 1.01 H new ATOM 246 N GLU A 16 -5.486 -5.140 6.985 1.00 0.66 N ATOM 247 CA GLU A 16 -5.424 -4.761 8.372 1.00 0.79 C ATOM 248 C GLU A 16 -5.658 -3.260 8.556 1.00 0.83 C ATOM 249 O GLU A 16 -6.268 -2.838 9.532 1.00 0.98 O ATOM 250 CB GLU A 16 -4.124 -5.235 9.019 1.00 0.94 C ATOM 251 CG GLU A 16 -4.053 -6.750 9.157 1.00 1.08 C ATOM 252 CD GLU A 16 -2.757 -7.244 9.751 1.00 1.28 C ATOM 253 OE1 GLU A 16 -2.490 -6.968 10.936 1.00 1.49 O ATOM 254 OE2 GLU A 16 -1.968 -7.919 9.040 1.00 1.71 O ATOM 0 H GLU A 16 -4.586 -5.147 6.506 1.00 0.66 H new ATOM 0 HA GLU A 16 -6.237 -5.266 8.893 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -3.279 -4.889 8.423 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -4.027 -4.780 10.005 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -4.881 -7.089 9.780 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -4.188 -7.202 8.175 1.00 1.08 H new ATOM 261 N SER A 17 -5.223 -2.472 7.592 1.00 0.77 N ATOM 262 CA SER A 17 -5.390 -1.031 7.665 1.00 0.91 C ATOM 263 C SER A 17 -6.818 -0.624 7.247 1.00 0.95 C ATOM 264 O SER A 17 -7.451 0.221 7.881 1.00 1.24 O ATOM 265 CB SER A 17 -4.342 -0.339 6.785 1.00 0.98 C ATOM 266 OG SER A 17 -3.029 -0.772 7.130 1.00 1.24 O ATOM 0 H SER A 17 -4.752 -2.803 6.750 1.00 0.77 H new ATOM 0 HA SER A 17 -5.243 -0.712 8.697 1.00 0.91 H new ATOM 0 HB2 SER A 17 -4.539 -0.559 5.736 1.00 0.98 H new ATOM 0 HB3 SER A 17 -4.417 0.742 6.904 1.00 0.98 H new ATOM 0 HG SER A 17 -2.846 -1.634 6.702 1.00 1.24 H new ATOM 272 N ALA A 18 -7.335 -1.264 6.207 1.00 0.83 N ATOM 273 CA ALA A 18 -8.683 -1.013 5.677 1.00 0.94 C ATOM 274 C ALA A 18 -9.757 -1.711 6.507 1.00 1.41 C ATOM 275 O ALA A 18 -10.817 -2.071 5.986 1.00 2.05 O ATOM 276 CB ALA A 18 -8.767 -1.506 4.251 1.00 1.05 C ATOM 0 H ALA A 18 -6.827 -1.985 5.694 1.00 0.83 H new ATOM 0 HA ALA A 18 -8.861 0.062 5.721 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.767 -1.319 3.860 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.034 -0.979 3.640 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.561 -2.576 4.223 1.00 1.05 H new ATOM 282 N GLY A 19 -9.517 -1.837 7.793 1.00 1.80 N ATOM 283 CA GLY A 19 -10.435 -2.525 8.673 1.00 2.47 C ATOM 284 C GLY A 19 -11.770 -1.816 8.828 1.00 2.48 C ATOM 285 O GLY A 19 -12.755 -2.418 9.256 1.00 3.01 O ATOM 0 H GLY A 19 -8.686 -1.468 8.256 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -10.609 -3.531 8.290 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -9.973 -2.633 9.655 1.00 2.47 H new ATOM 289 N GLU A 20 -11.800 -0.547 8.491 1.00 2.56 N ATOM 290 CA GLU A 20 -13.005 0.242 8.569 1.00 2.99 C ATOM 291 C GLU A 20 -13.334 0.785 7.184 1.00 3.37 C ATOM 292 O GLU A 20 -14.104 1.731 7.036 1.00 3.90 O ATOM 293 CB GLU A 20 -12.790 1.389 9.548 1.00 3.57 C ATOM 294 CG GLU A 20 -12.337 0.930 10.919 1.00 4.14 C ATOM 295 CD GLU A 20 -12.138 2.066 11.863 1.00 4.54 C ATOM 296 OE1 GLU A 20 -11.067 2.718 11.819 1.00 4.80 O ATOM 297 OE2 GLU A 20 -13.047 2.340 12.662 1.00 4.96 O ATOM 0 H GLU A 20 -10.986 -0.033 8.154 1.00 2.56 H new ATOM 0 HA GLU A 20 -13.835 -0.372 8.919 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -12.047 2.073 9.138 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -13.719 1.950 9.649 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -13.076 0.244 11.332 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -11.405 0.374 10.823 1.00 4.14 H new ATOM 304 N THR A 21 -12.774 0.154 6.177 1.00 3.68 N ATOM 305 CA THR A 21 -12.940 0.587 4.813 1.00 4.48 C ATOM 306 C THR A 21 -13.776 -0.436 4.012 1.00 4.44 C ATOM 307 O THR A 21 -13.288 -1.516 3.633 1.00 4.98 O ATOM 308 CB THR A 21 -11.556 0.797 4.166 1.00 5.48 C ATOM 309 OG1 THR A 21 -10.796 1.734 4.973 1.00 5.80 O ATOM 310 CG2 THR A 21 -11.689 1.353 2.753 1.00 6.23 C ATOM 0 H THR A 21 -12.190 -0.675 6.284 1.00 3.68 H new ATOM 0 HA THR A 21 -13.480 1.534 4.803 1.00 4.48 H new ATOM 0 HB THR A 21 -11.048 -0.166 4.113 1.00 5.48 H new ATOM 0 HG1 THR A 21 -9.914 1.872 4.570 1.00 5.80 H new ATOM 0 HG21 THR A 21 -10.698 1.491 2.321 1.00 6.23 H new ATOM 0 HG22 THR A 21 -12.258 0.655 2.139 1.00 6.23 H new ATOM 0 HG23 THR A 21 -12.207 2.312 2.786 1.00 6.23 H new ATOM 318 N ASP A 22 -15.053 -0.102 3.856 1.00 4.14 N ATOM 319 CA ASP A 22 -16.069 -0.878 3.114 1.00 4.35 C ATOM 320 C ASP A 22 -16.431 -2.199 3.775 1.00 4.02 C ATOM 321 O ASP A 22 -17.496 -2.321 4.398 1.00 4.29 O ATOM 322 CB ASP A 22 -15.707 -1.103 1.629 1.00 4.92 C ATOM 323 CG ASP A 22 -16.796 -1.870 0.886 1.00 5.42 C ATOM 324 OD1 ASP A 22 -17.739 -1.228 0.352 1.00 5.81 O ATOM 325 OD2 ASP A 22 -16.742 -3.118 0.827 1.00 5.76 O ATOM 0 H ASP A 22 -15.436 0.754 4.257 1.00 4.14 H new ATOM 0 HA ASP A 22 -16.955 -0.244 3.146 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -15.547 -0.140 1.145 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -14.768 -1.652 1.564 1.00 4.92 H new ATOM 330 N GLY A 23 -15.560 -3.163 3.657 1.00 3.87 N ATOM 331 CA GLY A 23 -15.827 -4.473 4.153 1.00 3.86 C ATOM 332 C GLY A 23 -14.623 -5.349 4.007 1.00 3.70 C ATOM 333 O GLY A 23 -13.529 -4.958 4.404 1.00 4.24 O ATOM 0 H GLY A 23 -14.648 -3.057 3.214 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -16.118 -4.418 5.202 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -16.667 -4.908 3.612 1.00 3.86 H new ATOM 337 N THR A 24 -14.794 -6.498 3.405 1.00 3.36 N ATOM 338 CA THR A 24 -13.714 -7.440 3.259 1.00 3.53 C ATOM 339 C THR A 24 -13.610 -8.038 1.856 1.00 2.73 C ATOM 340 O THR A 24 -13.381 -9.237 1.695 1.00 3.11 O ATOM 341 CB THR A 24 -13.784 -8.558 4.327 1.00 4.59 C ATOM 342 OG1 THR A 24 -15.150 -8.731 4.783 1.00 5.10 O ATOM 343 CG2 THR A 24 -12.863 -8.263 5.501 1.00 5.14 C ATOM 0 H THR A 24 -15.680 -6.806 3.004 1.00 3.36 H new ATOM 0 HA THR A 24 -12.802 -6.864 3.417 1.00 3.53 H new ATOM 0 HB THR A 24 -13.445 -9.486 3.866 1.00 4.59 H new ATOM 0 HG1 THR A 24 -15.182 -9.442 5.457 1.00 5.10 H new ATOM 0 HG21 THR A 24 -12.937 -9.068 6.232 1.00 5.14 H new ATOM 0 HG22 THR A 24 -11.835 -8.187 5.147 1.00 5.14 H new ATOM 0 HG23 THR A 24 -13.157 -7.322 5.966 1.00 5.14 H new ATOM 351 N ASP A 25 -13.743 -7.213 0.828 1.00 2.22 N ATOM 352 CA ASP A 25 -13.511 -7.727 -0.527 1.00 2.06 C ATOM 353 C ASP A 25 -12.076 -7.447 -0.909 1.00 1.66 C ATOM 354 O ASP A 25 -11.549 -7.994 -1.879 1.00 1.97 O ATOM 355 CB ASP A 25 -14.470 -7.157 -1.600 1.00 2.79 C ATOM 356 CG ASP A 25 -14.086 -5.797 -2.158 1.00 3.18 C ATOM 357 OD1 ASP A 25 -13.272 -5.733 -3.096 1.00 3.49 O ATOM 358 OD2 ASP A 25 -14.637 -4.772 -1.698 1.00 3.73 O ATOM 0 H ASP A 25 -13.998 -6.227 0.890 1.00 2.22 H new ATOM 0 HA ASP A 25 -13.715 -8.797 -0.500 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -14.528 -7.867 -2.425 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -15.469 -7.086 -1.170 1.00 2.79 H new ATOM 363 N LEU A 26 -11.439 -6.597 -0.122 1.00 1.45 N ATOM 364 CA LEU A 26 -10.057 -6.245 -0.328 1.00 1.10 C ATOM 365 C LEU A 26 -9.151 -7.386 0.157 1.00 1.10 C ATOM 366 O LEU A 26 -8.647 -7.389 1.291 1.00 1.60 O ATOM 367 CB LEU A 26 -9.721 -4.913 0.372 1.00 0.99 C ATOM 368 CG LEU A 26 -8.282 -4.408 0.227 1.00 1.10 C ATOM 369 CD1 LEU A 26 -7.924 -4.214 -1.228 1.00 1.49 C ATOM 370 CD2 LEU A 26 -8.092 -3.114 0.997 1.00 1.62 C ATOM 0 H LEU A 26 -11.872 -6.134 0.677 1.00 1.45 H new ATOM 0 HA LEU A 26 -9.880 -6.101 -1.394 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -10.392 -4.146 -0.014 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -9.939 -5.022 1.434 1.00 0.99 H new ATOM 0 HG LEU A 26 -7.614 -5.162 0.645 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -6.898 -3.855 -1.305 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -8.017 -5.163 -1.755 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -8.599 -3.483 -1.674 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -7.064 -2.770 0.883 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -8.773 -2.357 0.609 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -8.302 -3.285 2.053 1.00 1.62 H new ATOM 382 N SER A 27 -9.059 -8.396 -0.660 1.00 1.08 N ATOM 383 CA SER A 27 -8.263 -9.561 -0.417 1.00 1.10 C ATOM 384 C SER A 27 -7.860 -10.145 -1.768 1.00 1.13 C ATOM 385 O SER A 27 -8.340 -9.670 -2.811 1.00 1.60 O ATOM 386 CB SER A 27 -9.073 -10.584 0.392 1.00 1.37 C ATOM 387 OG SER A 27 -9.520 -10.023 1.631 1.00 1.84 O ATOM 0 H SER A 27 -9.558 -8.430 -1.549 1.00 1.08 H new ATOM 0 HA SER A 27 -7.372 -9.305 0.157 1.00 1.10 H new ATOM 0 HB2 SER A 27 -9.932 -10.916 -0.191 1.00 1.37 H new ATOM 0 HB3 SER A 27 -8.461 -11.465 0.588 1.00 1.37 H new ATOM 0 HG SER A 27 -10.035 -10.694 2.127 1.00 1.84 H new ATOM 393 N GLY A 28 -6.999 -11.141 -1.753 1.00 0.95 N ATOM 394 CA GLY A 28 -6.541 -11.763 -2.973 1.00 1.09 C ATOM 395 C GLY A 28 -5.679 -10.837 -3.787 1.00 0.84 C ATOM 396 O GLY A 28 -4.622 -10.382 -3.323 1.00 1.04 O ATOM 0 H GLY A 28 -6.601 -11.538 -0.902 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -5.978 -12.664 -2.731 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -7.401 -12.074 -3.567 1.00 1.09 H new ATOM 400 N ASP A 29 -6.122 -10.543 -4.971 1.00 0.80 N ATOM 401 CA ASP A 29 -5.418 -9.646 -5.852 1.00 0.86 C ATOM 402 C ASP A 29 -6.198 -8.371 -6.049 1.00 0.77 C ATOM 403 O ASP A 29 -7.418 -8.394 -6.245 1.00 1.01 O ATOM 404 CB ASP A 29 -5.100 -10.299 -7.199 1.00 1.28 C ATOM 405 CG ASP A 29 -4.646 -9.291 -8.234 1.00 1.96 C ATOM 406 OD1 ASP A 29 -3.666 -8.562 -7.979 1.00 2.61 O ATOM 407 OD2 ASP A 29 -5.243 -9.217 -9.318 1.00 2.38 O ATOM 0 H ASP A 29 -6.987 -10.918 -5.361 1.00 0.80 H new ATOM 0 HA ASP A 29 -4.468 -9.404 -5.376 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -4.322 -11.050 -7.061 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -5.985 -10.819 -7.566 1.00 1.28 H new ATOM 412 N PHE A 30 -5.499 -7.280 -5.969 1.00 0.58 N ATOM 413 CA PHE A 30 -6.058 -5.952 -6.122 1.00 0.52 C ATOM 414 C PHE A 30 -4.979 -5.031 -6.678 1.00 0.46 C ATOM 415 O PHE A 30 -5.145 -3.822 -6.736 1.00 0.44 O ATOM 416 CB PHE A 30 -6.555 -5.437 -4.751 1.00 0.56 C ATOM 417 CG PHE A 30 -5.481 -5.361 -3.679 1.00 0.57 C ATOM 418 CD1 PHE A 30 -5.072 -6.502 -2.994 1.00 0.67 C ATOM 419 CD2 PHE A 30 -4.892 -4.151 -3.352 1.00 0.73 C ATOM 420 CE1 PHE A 30 -4.106 -6.432 -2.022 1.00 0.84 C ATOM 421 CE2 PHE A 30 -3.921 -4.079 -2.377 1.00 0.86 C ATOM 422 CZ PHE A 30 -3.529 -5.220 -1.712 1.00 0.89 C ATOM 0 H PHE A 30 -4.495 -7.278 -5.791 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.904 -5.975 -6.809 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.988 -4.446 -4.885 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -7.355 -6.089 -4.400 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -5.521 -7.455 -3.231 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -5.198 -3.253 -3.868 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -3.798 -7.326 -1.500 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -3.468 -3.129 -2.134 1.00 0.86 H new ATOM 0 HZ PHE A 30 -2.769 -5.164 -0.947 1.00 0.89 H new ATOM 432 N LEU A 31 -3.880 -5.655 -7.117 1.00 0.48 N ATOM 433 CA LEU A 31 -2.661 -4.978 -7.580 1.00 0.49 C ATOM 434 C LEU A 31 -2.922 -3.963 -8.710 1.00 0.43 C ATOM 435 O LEU A 31 -2.211 -2.944 -8.826 1.00 0.46 O ATOM 436 CB LEU A 31 -1.637 -6.030 -8.034 1.00 0.62 C ATOM 437 CG LEU A 31 -0.234 -5.529 -8.377 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.445 -4.971 -7.139 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.597 -6.647 -8.986 1.00 1.53 C ATOM 0 H LEU A 31 -3.811 -6.672 -7.162 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.269 -4.405 -6.740 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.547 -6.777 -7.246 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.039 -6.538 -8.910 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.321 -4.729 -9.112 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.443 -4.618 -7.399 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.142 -4.141 -6.745 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.522 -5.752 -6.383 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.593 -6.272 -9.224 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.679 -7.469 -8.274 1.00 1.53 H new ATOM 0 HD23 LEU A 31 0.116 -7.003 -9.897 1.00 1.53 H new ATOM 451 N ASP A 32 -3.938 -4.228 -9.515 1.00 0.43 N ATOM 452 CA ASP A 32 -4.213 -3.422 -10.702 1.00 0.49 C ATOM 453 C ASP A 32 -5.239 -2.313 -10.425 1.00 0.41 C ATOM 454 O ASP A 32 -5.299 -1.308 -11.143 1.00 0.51 O ATOM 455 CB ASP A 32 -4.700 -4.338 -11.830 1.00 0.68 C ATOM 456 CG ASP A 32 -4.943 -3.625 -13.136 1.00 1.43 C ATOM 457 OD1 ASP A 32 -3.969 -3.287 -13.840 1.00 2.17 O ATOM 458 OD2 ASP A 32 -6.114 -3.326 -13.458 1.00 1.99 O ATOM 0 H ASP A 32 -4.591 -4.998 -9.370 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.289 -2.927 -11.000 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.963 -5.125 -11.989 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -5.623 -4.825 -11.516 1.00 0.68 H new ATOM 463 N LEU A 33 -6.003 -2.466 -9.374 1.00 0.36 N ATOM 464 CA LEU A 33 -7.017 -1.482 -9.020 1.00 0.35 C ATOM 465 C LEU A 33 -6.354 -0.382 -8.236 1.00 0.32 C ATOM 466 O LEU A 33 -5.499 -0.658 -7.420 1.00 0.38 O ATOM 467 CB LEU A 33 -8.168 -2.112 -8.191 1.00 0.46 C ATOM 468 CG LEU A 33 -9.171 -3.036 -8.926 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.872 -2.297 -10.052 1.00 1.56 C ATOM 470 CD2 LEU A 33 -8.513 -4.308 -9.444 1.00 1.56 C ATOM 0 H LEU A 33 -5.949 -3.263 -8.740 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.462 -1.088 -9.934 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.720 -2.684 -7.379 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.734 -1.300 -7.735 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.918 -3.336 -8.191 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -10.570 -2.970 -10.550 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -10.417 -1.446 -9.644 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -9.133 -1.944 -10.771 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -9.257 -4.922 -9.951 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -7.719 -4.048 -10.144 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -8.091 -4.866 -8.608 1.00 1.56 H new ATOM 482 N ARG A 34 -6.728 0.856 -8.468 1.00 0.39 N ATOM 483 CA ARG A 34 -6.065 1.948 -7.786 1.00 0.49 C ATOM 484 C ARG A 34 -6.565 2.033 -6.368 1.00 0.45 C ATOM 485 O ARG A 34 -7.585 1.420 -6.032 1.00 0.50 O ATOM 486 CB ARG A 34 -6.255 3.312 -8.481 1.00 0.73 C ATOM 487 CG ARG A 34 -5.764 3.393 -9.916 1.00 0.89 C ATOM 488 CD ARG A 34 -6.893 3.173 -10.901 1.00 0.95 C ATOM 489 NE ARG A 34 -7.890 4.265 -10.830 1.00 1.79 N ATOM 490 CZ ARG A 34 -9.120 4.225 -11.380 1.00 2.53 C ATOM 491 NH1 ARG A 34 -9.551 3.121 -11.968 1.00 2.76 N ATOM 492 NH2 ARG A 34 -9.924 5.281 -11.301 1.00 3.48 N ATOM 0 H ARG A 34 -7.472 1.130 -9.110 1.00 0.39 H new ATOM 0 HA ARG A 34 -4.997 1.730 -7.810 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -7.316 3.563 -8.464 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -5.738 4.073 -7.896 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -5.311 4.368 -10.092 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -4.987 2.646 -10.079 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -6.490 3.111 -11.912 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -7.379 2.220 -10.693 1.00 0.95 H new ATOM 0 HE ARG A 34 -7.626 5.112 -10.327 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -8.952 2.296 -12.006 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -10.482 3.095 -12.383 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -9.611 6.126 -10.823 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -10.854 5.246 -11.719 1.00 3.48 H new ATOM 506 N PHE A 35 -5.860 2.763 -5.533 1.00 0.43 N ATOM 507 CA PHE A 35 -6.277 2.969 -4.160 1.00 0.43 C ATOM 508 C PHE A 35 -7.719 3.474 -4.074 1.00 0.48 C ATOM 509 O PHE A 35 -8.502 2.985 -3.268 1.00 0.52 O ATOM 510 CB PHE A 35 -5.289 3.840 -3.378 1.00 0.44 C ATOM 511 CG PHE A 35 -3.976 3.138 -3.116 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.899 2.128 -2.167 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.833 3.475 -3.816 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.710 1.469 -1.925 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.638 2.821 -3.578 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.577 1.816 -2.632 1.00 0.60 C ATOM 0 H PHE A 35 -4.987 3.229 -5.782 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.265 1.995 -3.670 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.101 4.758 -3.934 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.738 4.129 -2.428 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.782 1.853 -1.610 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.874 4.259 -4.558 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.667 0.684 -1.184 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.752 3.096 -4.132 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.645 1.303 -2.446 1.00 0.60 H new ATOM 526 N GLU A 36 -8.076 4.402 -4.946 1.00 0.53 N ATOM 527 CA GLU A 36 -9.446 4.920 -5.036 1.00 0.67 C ATOM 528 C GLU A 36 -10.485 3.803 -5.321 1.00 0.73 C ATOM 529 O GLU A 36 -11.648 3.930 -4.956 1.00 0.87 O ATOM 530 CB GLU A 36 -9.530 6.010 -6.098 1.00 0.75 C ATOM 531 CG GLU A 36 -9.225 5.521 -7.496 1.00 1.26 C ATOM 532 CD GLU A 36 -9.105 6.636 -8.474 1.00 1.59 C ATOM 533 OE1 GLU A 36 -10.137 7.083 -9.001 1.00 2.04 O ATOM 534 OE2 GLU A 36 -7.982 7.113 -8.721 1.00 1.90 O ATOM 0 H GLU A 36 -7.430 4.822 -5.615 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.694 5.345 -4.063 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.531 6.442 -6.084 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -8.834 6.809 -5.842 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.296 4.951 -7.484 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -10.013 4.841 -7.820 1.00 1.26 H new ATOM 541 N ASP A 37 -10.045 2.691 -5.921 1.00 0.70 N ATOM 542 CA ASP A 37 -10.950 1.593 -6.270 1.00 0.83 C ATOM 543 C ASP A 37 -11.159 0.718 -5.075 1.00 0.82 C ATOM 544 O ASP A 37 -12.199 0.075 -4.934 1.00 0.98 O ATOM 545 CB ASP A 37 -10.414 0.705 -7.421 1.00 0.94 C ATOM 546 CG ASP A 37 -10.336 1.374 -8.771 1.00 1.41 C ATOM 547 OD1 ASP A 37 -11.371 1.888 -9.247 1.00 1.71 O ATOM 548 OD2 ASP A 37 -9.240 1.373 -9.388 1.00 2.12 O ATOM 0 H ASP A 37 -9.070 2.529 -6.174 1.00 0.70 H new ATOM 0 HA ASP A 37 -11.880 2.054 -6.602 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -9.419 0.352 -7.151 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.052 -0.174 -7.506 1.00 0.94 H new ATOM 553 N ILE A 38 -10.186 0.700 -4.198 1.00 0.68 N ATOM 554 CA ILE A 38 -10.265 -0.117 -3.007 1.00 0.70 C ATOM 555 C ILE A 38 -10.655 0.715 -1.778 1.00 0.72 C ATOM 556 O ILE A 38 -10.478 0.295 -0.646 1.00 0.82 O ATOM 557 CB ILE A 38 -8.963 -0.938 -2.758 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.750 -0.010 -2.569 1.00 0.63 C ATOM 559 CG2 ILE A 38 -8.726 -1.895 -3.929 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.446 -0.731 -2.278 1.00 0.75 C ATOM 0 H ILE A 38 -9.327 1.243 -4.285 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.060 -0.843 -3.179 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.086 -1.515 -1.841 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.625 0.592 -3.469 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.960 0.680 -1.751 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -7.815 -2.468 -3.752 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.572 -2.577 -4.019 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.622 -1.323 -4.851 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.645 -0.001 -2.159 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.548 -1.311 -1.361 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -6.208 -1.400 -3.105 1.00 0.75 H new ATOM 572 N GLY A 39 -11.238 1.886 -2.035 1.00 0.75 N ATOM 573 CA GLY A 39 -11.747 2.746 -0.966 1.00 0.87 C ATOM 574 C GLY A 39 -10.675 3.540 -0.236 1.00 0.68 C ATOM 575 O GLY A 39 -10.944 4.172 0.790 1.00 0.76 O ATOM 0 H GLY A 39 -11.370 2.261 -2.974 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.472 3.441 -1.389 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.281 2.129 -0.243 1.00 0.87 H new ATOM 579 N TYR A 40 -9.487 3.540 -0.757 1.00 0.55 N ATOM 580 CA TYR A 40 -8.400 4.229 -0.129 1.00 0.52 C ATOM 581 C TYR A 40 -8.298 5.650 -0.553 1.00 0.56 C ATOM 582 O TYR A 40 -8.103 5.950 -1.727 1.00 0.71 O ATOM 583 CB TYR A 40 -7.087 3.521 -0.348 1.00 0.60 C ATOM 584 CG TYR A 40 -6.762 2.558 0.729 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.370 1.321 0.809 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.835 2.898 1.679 1.00 0.62 C ATOM 587 CE1 TYR A 40 -7.054 0.452 1.824 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.514 2.049 2.686 1.00 0.79 C ATOM 589 CZ TYR A 40 -6.117 0.826 2.764 1.00 0.93 C ATOM 590 OH TYR A 40 -5.779 -0.024 3.779 1.00 1.21 O ATOM 0 H TYR A 40 -9.243 3.065 -1.626 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.622 4.223 0.938 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.119 2.994 -1.302 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.289 4.260 -0.420 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.100 1.034 0.067 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.350 3.862 1.624 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.534 -0.514 1.885 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.782 2.339 3.426 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.878 -0.951 3.476 1.00 1.21 H new ATOM 600 N ASP A 41 -8.501 6.516 0.387 1.00 0.58 N ATOM 601 CA ASP A 41 -8.306 7.922 0.186 1.00 0.77 C ATOM 602 C ASP A 41 -6.874 8.256 0.559 1.00 0.91 C ATOM 603 O ASP A 41 -6.155 7.413 1.126 1.00 1.78 O ATOM 604 CB ASP A 41 -9.260 8.744 1.056 1.00 0.86 C ATOM 605 CG ASP A 41 -8.956 8.600 2.520 1.00 1.62 C ATOM 606 OD1 ASP A 41 -9.345 7.572 3.111 1.00 2.34 O ATOM 607 OD2 ASP A 41 -8.301 9.493 3.093 1.00 2.07 O ATOM 0 H ASP A 41 -8.810 6.268 1.327 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.508 8.166 -0.857 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -9.193 9.795 0.774 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -10.286 8.428 0.866 1.00 0.86 H new ATOM 612 N SER A 42 -6.490 9.460 0.271 1.00 0.59 N ATOM 613 CA SER A 42 -5.171 9.998 0.529 1.00 0.58 C ATOM 614 C SER A 42 -4.680 9.811 2.004 1.00 0.51 C ATOM 615 O SER A 42 -3.504 9.495 2.242 1.00 0.51 O ATOM 616 CB SER A 42 -5.218 11.458 0.144 1.00 0.71 C ATOM 617 OG SER A 42 -6.435 12.048 0.729 1.00 0.97 O ATOM 0 H SER A 42 -7.112 10.136 -0.173 1.00 0.59 H new ATOM 0 HA SER A 42 -4.441 9.446 -0.062 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.331 11.976 0.508 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.227 11.565 -0.941 1.00 0.71 H new ATOM 622 N LEU A 43 -5.578 9.953 2.972 1.00 0.48 N ATOM 623 CA LEU A 43 -5.192 9.881 4.372 1.00 0.51 C ATOM 624 C LEU A 43 -4.971 8.436 4.767 1.00 0.46 C ATOM 625 O LEU A 43 -3.953 8.103 5.375 1.00 0.50 O ATOM 626 CB LEU A 43 -6.233 10.590 5.267 1.00 0.60 C ATOM 627 CG LEU A 43 -5.884 10.798 6.755 1.00 0.76 C ATOM 628 CD1 LEU A 43 -6.745 11.901 7.314 1.00 1.40 C ATOM 629 CD2 LEU A 43 -6.110 9.531 7.575 1.00 1.64 C ATOM 0 H LEU A 43 -6.572 10.118 2.813 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.250 10.410 4.518 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.437 11.568 4.832 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.160 10.019 5.218 1.00 0.60 H new ATOM 0 HG LEU A 43 -4.827 11.058 6.818 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -6.504 12.053 8.366 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -6.560 12.822 6.762 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -7.795 11.626 7.219 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -5.852 9.721 8.617 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -7.157 9.236 7.508 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -5.482 8.729 7.186 1.00 1.64 H new ATOM 641 N ALA A 44 -5.883 7.566 4.368 1.00 0.44 N ATOM 642 CA ALA A 44 -5.745 6.143 4.671 1.00 0.45 C ATOM 643 C ALA A 44 -4.515 5.582 3.952 1.00 0.41 C ATOM 644 O ALA A 44 -3.837 4.663 4.438 1.00 0.47 O ATOM 645 CB ALA A 44 -6.998 5.380 4.269 1.00 0.51 C ATOM 0 H ALA A 44 -6.720 7.811 3.839 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.614 6.022 5.746 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.872 4.323 4.504 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.855 5.774 4.816 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.167 5.496 3.198 1.00 0.51 H new ATOM 651 N LEU A 45 -4.215 6.171 2.820 1.00 0.39 N ATOM 652 CA LEU A 45 -3.064 5.809 2.041 1.00 0.42 C ATOM 653 C LEU A 45 -1.763 6.147 2.775 1.00 0.41 C ATOM 654 O LEU A 45 -0.843 5.318 2.813 1.00 0.44 O ATOM 655 CB LEU A 45 -3.131 6.472 0.670 1.00 0.50 C ATOM 656 CG LEU A 45 -1.935 6.285 -0.253 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.610 4.817 -0.432 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.231 6.928 -1.583 1.00 0.90 C ATOM 0 H LEU A 45 -4.771 6.923 2.412 1.00 0.39 H new ATOM 0 HA LEU A 45 -3.069 4.729 1.895 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.016 6.097 0.156 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.279 7.542 0.819 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.063 6.762 0.195 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.752 4.713 -1.096 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.375 4.376 0.537 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.469 4.305 -0.866 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.378 6.797 -2.248 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.111 6.461 -2.025 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.419 7.992 -1.439 1.00 0.90 H new ATOM 670 N MET A 46 -1.687 7.327 3.402 1.00 0.42 N ATOM 671 CA MET A 46 -0.467 7.679 4.129 1.00 0.48 C ATOM 672 C MET A 46 -0.297 6.766 5.334 1.00 0.46 C ATOM 673 O MET A 46 0.817 6.431 5.703 1.00 0.53 O ATOM 674 CB MET A 46 -0.385 9.167 4.563 1.00 0.57 C ATOM 675 CG MET A 46 -1.300 9.572 5.706 1.00 0.58 C ATOM 676 SD MET A 46 -0.996 11.251 6.277 1.00 1.46 S ATOM 677 CE MET A 46 -2.190 11.375 7.607 1.00 1.78 C ATOM 0 H MET A 46 -2.427 8.029 3.421 1.00 0.42 H new ATOM 0 HA MET A 46 0.353 7.535 3.425 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.643 9.386 4.850 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.615 9.791 3.700 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.338 9.484 5.384 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.165 8.880 6.537 1.00 0.58 H new ATOM 0 HE1 MET A 46 -2.876 12.198 7.405 1.00 1.78 H new ATOM 0 HE2 MET A 46 -2.752 10.444 7.679 1.00 1.78 H new ATOM 0 HE3 MET A 46 -1.670 11.559 8.547 1.00 1.78 H new ATOM 687 N GLU A 47 -1.425 6.326 5.919 1.00 0.44 N ATOM 688 CA GLU A 47 -1.382 5.407 7.050 1.00 0.49 C ATOM 689 C GLU A 47 -0.758 4.084 6.633 1.00 0.47 C ATOM 690 O GLU A 47 0.055 3.504 7.366 1.00 0.51 O ATOM 691 CB GLU A 47 -2.768 5.150 7.642 1.00 0.54 C ATOM 692 CG GLU A 47 -3.475 6.392 8.142 1.00 0.78 C ATOM 693 CD GLU A 47 -4.533 6.061 9.163 1.00 1.06 C ATOM 694 OE1 GLU A 47 -4.229 5.911 10.355 1.00 1.03 O ATOM 695 OE2 GLU A 47 -5.735 5.977 8.770 1.00 1.88 O ATOM 0 H GLU A 47 -2.364 6.593 5.625 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.772 5.880 7.819 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.390 4.673 6.885 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.672 4.444 8.467 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.746 7.073 8.581 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.932 6.914 7.301 1.00 0.78 H new ATOM 702 N THR A 48 -1.138 3.636 5.453 1.00 0.45 N ATOM 703 CA THR A 48 -0.635 2.415 4.864 1.00 0.48 C ATOM 704 C THR A 48 0.880 2.529 4.667 1.00 0.44 C ATOM 705 O THR A 48 1.647 1.676 5.140 1.00 0.46 O ATOM 706 CB THR A 48 -1.325 2.198 3.508 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.739 2.218 3.708 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.928 0.859 2.901 1.00 0.65 C ATOM 0 H THR A 48 -1.818 4.121 4.867 1.00 0.45 H new ATOM 0 HA THR A 48 -0.844 1.570 5.520 1.00 0.48 H new ATOM 0 HB THR A 48 -1.018 2.990 2.825 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.043 3.145 3.804 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.430 0.731 1.942 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.151 0.833 2.751 1.00 0.65 H new ATOM 0 HG23 THR A 48 -1.220 0.053 3.574 1.00 0.65 H new ATOM 716 N ALA A 49 1.298 3.597 3.983 1.00 0.45 N ATOM 717 CA ALA A 49 2.707 3.857 3.724 1.00 0.48 C ATOM 718 C ALA A 49 3.498 3.904 5.036 1.00 0.44 C ATOM 719 O ALA A 49 4.513 3.228 5.174 1.00 0.45 O ATOM 720 CB ALA A 49 2.867 5.158 2.950 1.00 0.57 C ATOM 0 H ALA A 49 0.668 4.300 3.597 1.00 0.45 H new ATOM 0 HA ALA A 49 3.106 3.043 3.119 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.925 5.342 2.762 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.337 5.084 2.000 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.454 5.981 3.533 1.00 0.57 H new ATOM 726 N ALA A 50 2.978 4.655 6.006 1.00 0.44 N ATOM 727 CA ALA A 50 3.593 4.799 7.327 1.00 0.46 C ATOM 728 C ALA A 50 3.784 3.447 8.010 1.00 0.44 C ATOM 729 O ALA A 50 4.849 3.163 8.576 1.00 0.44 O ATOM 730 CB ALA A 50 2.732 5.694 8.198 1.00 0.56 C ATOM 0 H ALA A 50 2.113 5.184 5.898 1.00 0.44 H new ATOM 0 HA ALA A 50 4.577 5.248 7.191 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.193 5.799 9.180 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.641 6.676 7.733 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.742 5.252 8.307 1.00 0.56 H new ATOM 736 N ARG A 51 2.760 2.612 7.930 1.00 0.46 N ATOM 737 CA ARG A 51 2.776 1.288 8.532 1.00 0.48 C ATOM 738 C ARG A 51 3.851 0.412 7.873 1.00 0.46 C ATOM 739 O ARG A 51 4.575 -0.334 8.549 1.00 0.49 O ATOM 740 CB ARG A 51 1.380 0.642 8.427 1.00 0.54 C ATOM 741 CG ARG A 51 1.293 -0.751 9.018 1.00 0.78 C ATOM 742 CD ARG A 51 -0.125 -1.307 8.976 1.00 0.80 C ATOM 743 NE ARG A 51 -0.154 -2.688 9.467 1.00 1.68 N ATOM 744 CZ ARG A 51 -1.146 -3.266 10.155 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.236 -2.598 10.484 1.00 1.80 N ATOM 746 NH2 ARG A 51 -1.017 -4.529 10.532 1.00 3.14 N ATOM 0 H ARG A 51 1.891 2.834 7.444 1.00 0.46 H new ATOM 0 HA ARG A 51 3.027 1.380 9.589 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.657 1.284 8.930 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.091 0.598 7.377 1.00 0.54 H new ATOM 0 HG2 ARG A 51 1.959 -1.418 8.471 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.642 -0.728 10.050 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.783 -0.686 9.584 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.505 -1.270 7.955 1.00 0.80 H new ATOM 0 HE ARG A 51 0.662 -3.265 9.264 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -2.336 -1.620 10.213 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -2.979 -3.060 11.009 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -0.170 -5.047 10.297 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -1.764 -4.983 11.057 1.00 3.14 H new ATOM 760 N LEU A 52 3.986 0.540 6.569 1.00 0.44 N ATOM 761 CA LEU A 52 4.982 -0.211 5.833 1.00 0.46 C ATOM 762 C LEU A 52 6.384 0.292 6.140 1.00 0.38 C ATOM 763 O LEU A 52 7.318 -0.506 6.278 1.00 0.40 O ATOM 764 CB LEU A 52 4.695 -0.181 4.338 1.00 0.55 C ATOM 765 CG LEU A 52 3.392 -0.853 3.913 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.175 -0.701 2.430 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.400 -2.322 4.293 1.00 0.80 C ATOM 0 H LEU A 52 3.415 1.160 5.995 1.00 0.44 H new ATOM 0 HA LEU A 52 4.927 -1.250 6.158 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.673 0.858 4.009 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.521 -0.664 3.816 1.00 0.55 H new ATOM 0 HG LEU A 52 2.571 -0.363 4.436 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.241 -1.187 2.147 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.125 0.358 2.176 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.002 -1.164 1.892 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.463 -2.783 3.982 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.233 -2.821 3.798 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.510 -2.418 5.373 1.00 0.80 H new ATOM 779 N GLU A 53 6.526 1.609 6.275 1.00 0.35 N ATOM 780 CA GLU A 53 7.800 2.213 6.650 1.00 0.33 C ATOM 781 C GLU A 53 8.226 1.718 8.019 1.00 0.34 C ATOM 782 O GLU A 53 9.403 1.409 8.238 1.00 0.41 O ATOM 783 CB GLU A 53 7.722 3.741 6.658 1.00 0.34 C ATOM 784 CG GLU A 53 7.482 4.367 5.300 1.00 0.35 C ATOM 785 CD GLU A 53 7.457 5.870 5.364 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.391 6.453 5.590 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.513 6.505 5.197 1.00 0.49 O ATOM 0 H GLU A 53 5.771 2.279 6.129 1.00 0.35 H new ATOM 0 HA GLU A 53 8.538 1.917 5.904 1.00 0.33 H new ATOM 0 HB2 GLU A 53 6.921 4.047 7.331 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.652 4.137 7.067 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.264 4.047 4.611 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.535 4.006 4.898 1.00 0.35 H new ATOM 794 N SER A 54 7.253 1.603 8.906 1.00 0.36 N ATOM 795 CA SER A 54 7.454 1.141 10.259 1.00 0.43 C ATOM 796 C SER A 54 7.994 -0.294 10.258 1.00 0.42 C ATOM 797 O SER A 54 9.099 -0.544 10.732 1.00 0.48 O ATOM 798 CB SER A 54 6.115 1.234 11.027 1.00 0.55 C ATOM 799 OG SER A 54 6.228 0.847 12.384 1.00 1.22 O ATOM 0 H SER A 54 6.282 1.834 8.696 1.00 0.36 H new ATOM 0 HA SER A 54 8.192 1.769 10.758 1.00 0.43 H new ATOM 0 HB2 SER A 54 5.744 2.258 10.976 1.00 0.55 H new ATOM 0 HB3 SER A 54 5.376 0.602 10.535 1.00 0.55 H new ATOM 0 HG SER A 54 5.354 0.927 12.821 1.00 1.22 H new ATOM 805 N ARG A 55 7.246 -1.207 9.662 1.00 0.44 N ATOM 806 CA ARG A 55 7.625 -2.608 9.653 1.00 0.51 C ATOM 807 C ARG A 55 8.902 -2.883 8.857 1.00 0.56 C ATOM 808 O ARG A 55 9.854 -3.462 9.382 1.00 0.64 O ATOM 809 CB ARG A 55 6.491 -3.479 9.114 1.00 0.60 C ATOM 810 CG ARG A 55 6.902 -4.930 8.941 1.00 0.77 C ATOM 811 CD ARG A 55 5.824 -5.755 8.305 1.00 0.95 C ATOM 812 NE ARG A 55 6.336 -7.066 7.934 1.00 1.51 N ATOM 813 CZ ARG A 55 5.679 -7.983 7.241 1.00 1.97 C ATOM 814 NH1 ARG A 55 4.406 -7.786 6.901 1.00 1.87 N ATOM 815 NH2 ARG A 55 6.302 -9.104 6.899 1.00 2.88 N ATOM 0 H ARG A 55 6.372 -1.002 9.178 1.00 0.44 H new ATOM 0 HA ARG A 55 7.827 -2.866 10.692 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.641 -3.424 9.794 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.158 -3.083 8.155 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.803 -4.980 8.329 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.153 -5.352 9.914 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.988 -5.867 8.996 1.00 0.95 H new ATOM 0 HD3 ARG A 55 5.441 -5.244 7.421 1.00 0.95 H new ATOM 0 HE ARG A 55 7.283 -7.298 8.234 1.00 1.51 H new ATOM 0 HH11 ARG A 55 3.932 -6.925 7.175 1.00 1.87 H new ATOM 0 HH12 ARG A 55 3.905 -8.496 6.367 1.00 1.87 H new ATOM 0 HH21 ARG A 55 7.274 -9.250 7.170 1.00 2.88 H new ATOM 0 HH22 ARG A 55 5.808 -9.819 6.365 1.00 2.88 H new ATOM 829 N TYR A 56 8.928 -2.456 7.613 1.00 0.56 N ATOM 830 CA TYR A 56 10.015 -2.823 6.718 1.00 0.67 C ATOM 831 C TYR A 56 11.296 -2.035 6.963 1.00 0.70 C ATOM 832 O TYR A 56 12.381 -2.493 6.613 1.00 0.86 O ATOM 833 CB TYR A 56 9.573 -2.759 5.243 1.00 0.75 C ATOM 834 CG TYR A 56 8.505 -3.788 4.889 1.00 0.85 C ATOM 835 CD1 TYR A 56 7.155 -3.497 5.048 1.00 0.82 C ATOM 836 CD2 TYR A 56 8.844 -5.034 4.377 1.00 1.09 C ATOM 837 CE1 TYR A 56 6.177 -4.411 4.707 1.00 0.96 C ATOM 838 CE2 TYR A 56 7.874 -5.956 4.037 1.00 1.24 C ATOM 839 CZ TYR A 56 6.566 -5.692 4.284 1.00 1.17 C ATOM 840 OH TYR A 56 5.567 -6.552 3.855 1.00 1.33 O ATOM 0 H TYR A 56 8.215 -1.857 7.196 1.00 0.56 H new ATOM 0 HA TYR A 56 10.262 -3.859 6.950 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.192 -1.761 5.028 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.442 -2.913 4.603 1.00 0.75 H new ATOM 0 HD1 TYR A 56 6.865 -2.536 5.447 1.00 0.82 H new ATOM 0 HD2 TYR A 56 9.885 -5.286 4.242 1.00 1.09 H new ATOM 0 HE1 TYR A 56 5.132 -4.145 4.765 1.00 0.96 H new ATOM 0 HE2 TYR A 56 8.157 -6.889 3.573 1.00 1.24 H new ATOM 0 HH TYR A 56 5.964 -7.407 3.587 1.00 1.33 H new ATOM 850 N GLY A 57 11.189 -0.895 7.606 1.00 0.61 N ATOM 851 CA GLY A 57 12.371 -0.092 7.849 1.00 0.68 C ATOM 852 C GLY A 57 12.766 0.659 6.606 1.00 0.72 C ATOM 853 O GLY A 57 13.925 0.627 6.170 1.00 0.91 O ATOM 0 H GLY A 57 10.317 -0.507 7.965 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.179 0.611 8.660 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.193 -0.732 8.170 1.00 0.68 H new ATOM 857 N VAL A 58 11.795 1.299 6.015 1.00 0.62 N ATOM 858 CA VAL A 58 11.997 2.064 4.815 1.00 0.65 C ATOM 859 C VAL A 58 11.524 3.478 5.037 1.00 0.57 C ATOM 860 O VAL A 58 10.938 3.770 6.087 1.00 0.50 O ATOM 861 CB VAL A 58 11.301 1.452 3.549 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.887 0.093 3.205 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.790 1.337 3.746 1.00 0.57 C ATOM 0 H VAL A 58 10.833 1.305 6.355 1.00 0.62 H new ATOM 0 HA VAL A 58 13.067 2.045 4.606 1.00 0.65 H new ATOM 0 HB VAL A 58 11.488 2.131 2.717 1.00 0.67 H new ATOM 0 HG11 VAL A 58 11.386 -0.307 2.324 1.00 0.81 H new ATOM 0 HG12 VAL A 58 12.952 0.197 3.000 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.744 -0.588 4.044 1.00 0.81 H new ATOM 0 HG21 VAL A 58 9.338 0.910 2.851 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.582 0.693 4.600 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.370 2.327 3.927 1.00 0.57 H new ATOM 873 N SER A 59 11.775 4.337 4.088 1.00 0.63 N ATOM 874 CA SER A 59 11.359 5.712 4.149 1.00 0.63 C ATOM 875 C SER A 59 10.904 6.186 2.776 1.00 0.62 C ATOM 876 O SER A 59 11.697 6.253 1.825 1.00 0.73 O ATOM 877 CB SER A 59 12.492 6.580 4.694 1.00 0.83 C ATOM 878 OG SER A 59 12.827 6.187 6.031 1.00 1.41 O ATOM 0 H SER A 59 12.283 4.098 3.236 1.00 0.63 H new ATOM 0 HA SER A 59 10.512 5.801 4.829 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.368 6.490 4.052 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.194 7.628 4.681 1.00 0.83 H new ATOM 0 HG SER A 59 13.555 6.751 6.365 1.00 1.41 H new ATOM 884 N ILE A 60 9.637 6.477 2.673 1.00 0.52 N ATOM 885 CA ILE A 60 9.043 6.884 1.424 1.00 0.53 C ATOM 886 C ILE A 60 8.989 8.410 1.342 1.00 0.59 C ATOM 887 O ILE A 60 8.395 9.055 2.219 1.00 0.67 O ATOM 888 CB ILE A 60 7.598 6.318 1.279 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.594 4.791 1.466 1.00 0.50 C ATOM 890 CG2 ILE A 60 7.014 6.686 -0.089 1.00 0.57 C ATOM 891 CD1 ILE A 60 6.213 4.166 1.414 1.00 0.55 C ATOM 0 H ILE A 60 8.982 6.439 3.454 1.00 0.52 H new ATOM 0 HA ILE A 60 9.660 6.489 0.617 1.00 0.53 H new ATOM 0 HB ILE A 60 6.976 6.764 2.055 1.00 0.51 H new ATOM 0 HG12 ILE A 60 8.215 4.339 0.693 1.00 0.50 H new ATOM 0 HG13 ILE A 60 8.054 4.552 2.425 1.00 0.50 H new ATOM 0 HG21 ILE A 60 6.005 6.283 -0.174 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.982 7.771 -0.191 1.00 0.57 H new ATOM 0 HG23 ILE A 60 7.640 6.266 -0.877 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.296 3.088 1.554 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.593 4.588 2.205 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.757 4.372 0.446 1.00 0.55 H new ATOM 903 N PRO A 61 9.632 9.016 0.328 1.00 0.62 N ATOM 904 CA PRO A 61 9.532 10.457 0.093 1.00 0.71 C ATOM 905 C PRO A 61 8.080 10.833 -0.218 1.00 0.65 C ATOM 906 O PRO A 61 7.369 10.080 -0.904 1.00 0.57 O ATOM 907 CB PRO A 61 10.431 10.693 -1.127 1.00 0.78 C ATOM 908 CG PRO A 61 11.341 9.513 -1.156 1.00 0.77 C ATOM 909 CD PRO A 61 10.526 8.366 -0.643 1.00 0.64 C ATOM 0 HA PRO A 61 9.833 11.057 0.952 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.845 10.765 -2.043 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.991 11.623 -1.033 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.699 9.319 -2.167 1.00 0.77 H new ATOM 0 HG3 PRO A 61 12.220 9.680 -0.533 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.969 7.875 -1.441 1.00 0.64 H new ATOM 0 HD3 PRO A 61 11.149 7.604 -0.174 1.00 0.64 H new ATOM 917 N ASP A 62 7.663 11.985 0.258 1.00 0.75 N ATOM 918 CA ASP A 62 6.259 12.437 0.197 1.00 0.78 C ATOM 919 C ASP A 62 5.736 12.507 -1.217 1.00 0.68 C ATOM 920 O ASP A 62 4.615 12.094 -1.499 1.00 0.67 O ATOM 921 CB ASP A 62 6.077 13.792 0.886 1.00 0.99 C ATOM 922 CG ASP A 62 6.497 13.774 2.329 1.00 1.34 C ATOM 923 OD1 ASP A 62 6.181 12.808 3.040 1.00 2.03 O ATOM 924 OD2 ASP A 62 7.098 14.762 2.804 1.00 1.88 O ATOM 0 H ASP A 62 8.286 12.656 0.708 1.00 0.75 H new ATOM 0 HA ASP A 62 5.676 11.687 0.732 1.00 0.78 H new ATOM 0 HB2 ASP A 62 6.657 14.546 0.353 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.030 14.090 0.821 1.00 0.99 H new ATOM 929 N ASP A 63 6.570 12.966 -2.113 1.00 0.67 N ATOM 930 CA ASP A 63 6.194 13.110 -3.510 1.00 0.67 C ATOM 931 C ASP A 63 6.090 11.752 -4.181 1.00 0.58 C ATOM 932 O ASP A 63 5.304 11.565 -5.109 1.00 0.60 O ATOM 933 CB ASP A 63 7.188 14.011 -4.263 1.00 0.85 C ATOM 934 CG ASP A 63 8.592 13.463 -4.285 1.00 1.44 C ATOM 935 OD1 ASP A 63 9.343 13.695 -3.328 1.00 1.95 O ATOM 936 OD2 ASP A 63 8.962 12.789 -5.262 1.00 2.23 O ATOM 0 H ASP A 63 7.527 13.252 -1.904 1.00 0.67 H new ATOM 0 HA ASP A 63 5.215 13.588 -3.545 1.00 0.67 H new ATOM 0 HB2 ASP A 63 6.842 14.145 -5.288 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.198 14.997 -3.798 1.00 0.85 H new ATOM 941 N VAL A 64 6.834 10.790 -3.672 1.00 0.60 N ATOM 942 CA VAL A 64 6.786 9.441 -4.193 1.00 0.64 C ATOM 943 C VAL A 64 5.526 8.758 -3.664 1.00 0.60 C ATOM 944 O VAL A 64 4.856 8.020 -4.380 1.00 0.58 O ATOM 945 CB VAL A 64 8.047 8.622 -3.804 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.974 7.222 -4.379 1.00 0.97 C ATOM 947 CG2 VAL A 64 9.307 9.316 -4.294 1.00 0.98 C ATOM 0 H VAL A 64 7.481 10.920 -2.895 1.00 0.60 H new ATOM 0 HA VAL A 64 6.763 9.489 -5.282 1.00 0.64 H new ATOM 0 HB VAL A 64 8.082 8.553 -2.717 1.00 0.84 H new ATOM 0 HG11 VAL A 64 8.867 6.665 -4.095 1.00 0.97 H new ATOM 0 HG12 VAL A 64 7.091 6.715 -3.991 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.912 7.278 -5.466 1.00 0.97 H new ATOM 0 HG21 VAL A 64 10.180 8.727 -4.012 1.00 0.98 H new ATOM 0 HG22 VAL A 64 9.270 9.413 -5.379 1.00 0.98 H new ATOM 0 HG23 VAL A 64 9.376 10.306 -3.843 1.00 0.98 H new ATOM 957 N ALA A 65 5.186 9.044 -2.414 1.00 0.72 N ATOM 958 CA ALA A 65 3.953 8.538 -1.812 1.00 0.85 C ATOM 959 C ALA A 65 2.737 9.067 -2.581 1.00 0.80 C ATOM 960 O ALA A 65 1.703 8.420 -2.662 1.00 0.90 O ATOM 961 CB ALA A 65 3.876 8.933 -0.345 1.00 1.09 C ATOM 0 H ALA A 65 5.748 9.626 -1.793 1.00 0.72 H new ATOM 0 HA ALA A 65 3.954 7.450 -1.870 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.952 8.548 0.087 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.729 8.515 0.190 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.892 10.020 -0.259 1.00 1.09 H new ATOM 967 N GLY A 66 2.896 10.240 -3.164 1.00 0.73 N ATOM 968 CA GLY A 66 1.849 10.837 -3.950 1.00 0.81 C ATOM 969 C GLY A 66 1.750 10.268 -5.366 1.00 0.73 C ATOM 970 O GLY A 66 0.739 10.460 -6.039 1.00 0.92 O ATOM 0 H GLY A 66 3.749 10.796 -3.103 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.896 10.692 -3.441 1.00 0.81 H new ATOM 0 HA3 GLY A 66 2.018 11.912 -4.010 1.00 0.81 H new ATOM 974 N ARG A 67 2.777 9.552 -5.833 1.00 0.56 N ATOM 975 CA ARG A 67 2.725 9.022 -7.202 1.00 0.61 C ATOM 976 C ARG A 67 2.229 7.592 -7.243 1.00 0.58 C ATOM 977 O ARG A 67 2.058 7.024 -8.318 1.00 0.79 O ATOM 978 CB ARG A 67 4.063 9.111 -7.958 1.00 0.63 C ATOM 979 CG ARG A 67 5.213 8.298 -7.368 1.00 0.57 C ATOM 980 CD ARG A 67 6.317 8.085 -8.394 1.00 0.87 C ATOM 981 NE ARG A 67 5.867 7.165 -9.456 1.00 1.64 N ATOM 982 CZ ARG A 67 5.625 7.493 -10.733 1.00 2.30 C ATOM 983 NH1 ARG A 67 6.047 8.657 -11.228 1.00 2.40 N ATOM 984 NH2 ARG A 67 5.030 6.611 -11.525 1.00 3.30 N ATOM 0 H ARG A 67 3.624 9.331 -5.309 1.00 0.56 H new ATOM 0 HA ARG A 67 2.013 9.671 -7.712 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.901 8.784 -8.985 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.366 10.157 -8.000 1.00 0.63 H new ATOM 0 HG2 ARG A 67 5.617 8.813 -6.496 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.841 7.333 -7.024 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.604 9.041 -8.831 1.00 0.87 H new ATOM 0 HD3 ARG A 67 7.203 7.679 -7.905 1.00 0.87 H new ATOM 0 HE ARG A 67 5.727 6.189 -9.194 1.00 1.64 H new ATOM 0 HH11 ARG A 67 6.560 9.308 -10.633 1.00 2.40 H new ATOM 0 HH12 ARG A 67 5.857 8.896 -12.201 1.00 2.40 H new ATOM 0 HH21 ARG A 67 4.763 5.697 -11.160 1.00 3.30 H new ATOM 0 HH22 ARG A 67 4.840 6.847 -12.499 1.00 3.30 H new ATOM 998 N VAL A 68 2.024 7.001 -6.102 1.00 0.45 N ATOM 999 CA VAL A 68 1.561 5.640 -6.064 1.00 0.45 C ATOM 1000 C VAL A 68 0.017 5.577 -6.085 1.00 0.46 C ATOM 1001 O VAL A 68 -0.655 5.728 -5.067 1.00 0.53 O ATOM 1002 CB VAL A 68 2.211 4.815 -4.889 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.722 4.775 -5.058 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.881 5.359 -3.513 1.00 0.85 C ATOM 0 H VAL A 68 2.168 7.434 -5.190 1.00 0.45 H new ATOM 0 HA VAL A 68 1.902 5.147 -6.974 1.00 0.45 H new ATOM 0 HB VAL A 68 1.786 3.813 -4.949 1.00 0.53 H new ATOM 0 HG11 VAL A 68 4.164 4.203 -4.242 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.969 4.302 -6.008 1.00 1.45 H new ATOM 0 HG13 VAL A 68 4.117 5.791 -5.045 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.361 4.742 -2.753 1.00 0.85 H new ATOM 0 HG22 VAL A 68 2.243 6.384 -3.431 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.801 5.342 -3.364 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.536 5.466 -7.285 1.00 0.47 N ATOM 1015 CA ASP A 69 -1.998 5.385 -7.450 1.00 0.53 C ATOM 1016 C ASP A 69 -2.411 3.958 -7.359 1.00 0.42 C ATOM 1017 O ASP A 69 -3.457 3.626 -6.813 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.463 5.885 -8.826 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.248 7.341 -9.094 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -1.178 7.704 -9.630 1.00 2.04 O ATOM 1021 OD2 ASP A 69 -3.175 8.145 -8.852 1.00 1.82 O ATOM 0 H ASP A 69 -0.008 5.429 -8.157 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.441 6.007 -6.673 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -1.944 5.312 -9.595 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.526 5.668 -8.931 1.00 0.71 H new ATOM 1026 N THR A 70 -1.607 3.115 -7.916 1.00 0.35 N ATOM 1027 CA THR A 70 -1.854 1.722 -7.894 1.00 0.29 C ATOM 1028 C THR A 70 -0.974 1.077 -6.835 1.00 0.26 C ATOM 1029 O THR A 70 0.125 1.594 -6.525 1.00 0.29 O ATOM 1030 CB THR A 70 -1.535 1.106 -9.271 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.210 1.497 -9.666 1.00 0.50 O ATOM 1032 CG2 THR A 70 -2.538 1.558 -10.323 1.00 0.39 C ATOM 0 H THR A 70 -0.752 3.382 -8.403 1.00 0.35 H new ATOM 0 HA THR A 70 -2.904 1.546 -7.662 1.00 0.29 H new ATOM 0 HB THR A 70 -1.598 0.021 -9.189 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.059 1.244 -10.601 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.287 1.107 -11.283 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.540 1.247 -10.028 1.00 0.39 H new ATOM 0 HG23 THR A 70 -2.507 2.644 -10.413 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.427 -0.040 -6.244 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.631 -0.810 -5.301 1.00 0.31 C ATOM 1042 C PRO A 71 0.644 -1.290 -5.983 1.00 0.32 C ATOM 1043 O PRO A 71 1.648 -1.492 -5.341 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.535 -1.995 -4.946 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.903 -1.512 -5.231 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.765 -0.618 -6.416 1.00 0.30 C ATOM 0 HA PRO A 71 -0.326 -0.242 -4.422 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.291 -2.874 -5.543 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.424 -2.280 -3.900 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.578 -2.342 -5.441 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.316 -0.974 -4.378 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -2.847 -1.172 -7.351 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.537 0.151 -6.433 1.00 0.30 H new ATOM 1054 N ARG A 72 0.558 -1.451 -7.308 1.00 0.32 N ATOM 1055 CA ARG A 72 1.679 -1.787 -8.183 1.00 0.38 C ATOM 1056 C ARG A 72 2.866 -0.857 -7.926 1.00 0.35 C ATOM 1057 O ARG A 72 3.968 -1.315 -7.627 1.00 0.36 O ATOM 1058 CB ARG A 72 1.225 -1.655 -9.634 1.00 0.45 C ATOM 1059 CG ARG A 72 2.311 -1.868 -10.674 1.00 0.88 C ATOM 1060 CD ARG A 72 1.758 -1.654 -12.067 1.00 0.81 C ATOM 1061 NE ARG A 72 0.682 -2.604 -12.369 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.540 -2.291 -12.832 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.890 -1.010 -13.044 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.414 -3.260 -13.065 1.00 1.55 N ATOM 0 H ARG A 72 -0.322 -1.347 -7.813 1.00 0.32 H new ATOM 0 HA ARG A 72 1.998 -2.809 -7.980 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.426 -2.374 -9.814 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.799 -0.662 -9.775 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.136 -1.179 -10.494 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.714 -2.877 -10.587 1.00 0.88 H new ATOM 0 HD2 ARG A 72 1.382 -0.635 -12.158 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.558 -1.764 -12.799 1.00 0.81 H new ATOM 0 HE ARG A 72 0.879 -3.593 -12.213 1.00 0.86 H new ATOM 0 HH11 ARG A 72 -0.224 -0.261 -12.853 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -1.821 -0.787 -13.396 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.156 -4.232 -12.893 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -2.344 -3.034 -13.417 1.00 1.55 H new ATOM 1078 N GLU A 73 2.605 0.444 -8.000 1.00 0.34 N ATOM 1079 CA GLU A 73 3.627 1.467 -7.800 1.00 0.36 C ATOM 1080 C GLU A 73 4.174 1.419 -6.382 1.00 0.32 C ATOM 1081 O GLU A 73 5.382 1.504 -6.167 1.00 0.35 O ATOM 1082 CB GLU A 73 3.037 2.854 -8.067 1.00 0.42 C ATOM 1083 CG GLU A 73 2.678 3.123 -9.510 1.00 0.60 C ATOM 1084 CD GLU A 73 3.892 3.171 -10.388 1.00 1.37 C ATOM 1085 OE1 GLU A 73 4.549 4.225 -10.464 1.00 1.78 O ATOM 1086 OE2 GLU A 73 4.210 2.159 -11.029 1.00 2.18 O ATOM 0 H GLU A 73 1.678 0.820 -8.200 1.00 0.34 H new ATOM 0 HA GLU A 73 4.442 1.272 -8.497 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.143 2.977 -7.456 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.753 3.607 -7.739 1.00 0.42 H new ATOM 0 HG2 GLU A 73 2.002 2.346 -9.867 1.00 0.60 H new ATOM 0 HG3 GLU A 73 2.141 4.069 -9.580 1.00 0.60 H new ATOM 1093 N LEU A 74 3.279 1.247 -5.429 1.00 0.31 N ATOM 1094 CA LEU A 74 3.637 1.223 -4.024 1.00 0.32 C ATOM 1095 C LEU A 74 4.501 -0.016 -3.723 1.00 0.30 C ATOM 1096 O LEU A 74 5.554 0.093 -3.096 1.00 0.31 O ATOM 1097 CB LEU A 74 2.336 1.282 -3.170 1.00 0.36 C ATOM 1098 CG LEU A 74 2.455 1.510 -1.640 1.00 0.39 C ATOM 1099 CD1 LEU A 74 2.976 0.284 -0.917 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.336 2.722 -1.345 1.00 0.44 C ATOM 0 H LEU A 74 2.283 1.120 -5.607 1.00 0.31 H new ATOM 0 HA LEU A 74 4.241 2.092 -3.763 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.712 2.079 -3.575 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.798 0.346 -3.323 1.00 0.36 H new ATOM 0 HG LEU A 74 1.450 1.703 -1.264 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.042 0.492 0.151 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.297 -0.552 -1.082 1.00 0.44 H new ATOM 0 HD13 LEU A 74 3.965 0.029 -1.299 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.408 2.866 -0.267 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.332 2.557 -1.756 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.898 3.610 -1.801 1.00 0.44 H new ATOM 1112 N LEU A 75 4.051 -1.165 -4.210 1.00 0.29 N ATOM 1113 CA LEU A 75 4.748 -2.448 -4.076 1.00 0.30 C ATOM 1114 C LEU A 75 6.161 -2.319 -4.606 1.00 0.29 C ATOM 1115 O LEU A 75 7.145 -2.639 -3.916 1.00 0.30 O ATOM 1116 CB LEU A 75 4.004 -3.512 -4.912 1.00 0.33 C ATOM 1117 CG LEU A 75 4.623 -4.908 -4.976 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.570 -5.581 -3.633 1.00 0.41 C ATOM 1119 CD2 LEU A 75 3.931 -5.755 -6.029 1.00 0.45 C ATOM 0 H LEU A 75 3.172 -1.238 -4.722 1.00 0.29 H new ATOM 0 HA LEU A 75 4.774 -2.738 -3.026 1.00 0.30 H new ATOM 0 HB2 LEU A 75 2.994 -3.608 -4.514 1.00 0.33 H new ATOM 0 HB3 LEU A 75 3.911 -3.137 -5.931 1.00 0.33 H new ATOM 0 HG LEU A 75 5.670 -4.800 -5.259 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.017 -6.573 -3.705 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.123 -4.986 -2.906 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.532 -5.673 -3.313 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.387 -6.744 -6.058 1.00 0.45 H new ATOM 0 HD22 LEU A 75 2.874 -5.850 -5.782 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.035 -5.279 -7.004 1.00 0.45 H new ATOM 1131 N ASP A 76 6.240 -1.831 -5.831 1.00 0.31 N ATOM 1132 CA ASP A 76 7.488 -1.657 -6.544 1.00 0.34 C ATOM 1133 C ASP A 76 8.421 -0.728 -5.780 1.00 0.32 C ATOM 1134 O ASP A 76 9.618 -0.993 -5.675 1.00 0.34 O ATOM 1135 CB ASP A 76 7.218 -1.105 -7.943 1.00 0.45 C ATOM 1136 CG ASP A 76 8.405 -1.220 -8.870 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.244 -0.288 -8.882 1.00 1.25 O ATOM 1138 OD2 ASP A 76 8.538 -2.233 -9.579 1.00 0.90 O ATOM 0 H ASP A 76 5.422 -1.540 -6.366 1.00 0.31 H new ATOM 0 HA ASP A 76 7.974 -2.629 -6.634 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.372 -1.637 -8.379 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.928 -0.057 -7.863 1.00 0.45 H new ATOM 1143 N LEU A 77 7.867 0.353 -5.224 1.00 0.32 N ATOM 1144 CA LEU A 77 8.651 1.317 -4.470 1.00 0.36 C ATOM 1145 C LEU A 77 9.232 0.684 -3.197 1.00 0.34 C ATOM 1146 O LEU A 77 10.422 0.842 -2.916 1.00 0.40 O ATOM 1147 CB LEU A 77 7.804 2.589 -4.168 1.00 0.41 C ATOM 1148 CG LEU A 77 8.514 3.818 -3.535 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.800 3.640 -2.046 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.800 4.134 -4.291 1.00 1.35 C ATOM 0 H LEU A 77 6.874 0.577 -5.286 1.00 0.32 H new ATOM 0 HA LEU A 77 9.501 1.629 -5.077 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.349 2.914 -5.103 1.00 0.41 H new ATOM 0 HB3 LEU A 77 6.991 2.296 -3.503 1.00 0.41 H new ATOM 0 HG LEU A 77 7.825 4.658 -3.622 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.296 4.531 -1.662 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.863 3.488 -1.511 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.446 2.774 -1.900 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.287 4.997 -3.837 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.469 3.275 -4.246 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.565 4.356 -5.332 1.00 1.35 H new ATOM 1162 N ILE A 78 8.413 -0.070 -2.470 1.00 0.30 N ATOM 1163 CA ILE A 78 8.858 -0.688 -1.214 1.00 0.32 C ATOM 1164 C ILE A 78 9.974 -1.676 -1.499 1.00 0.33 C ATOM 1165 O ILE A 78 11.068 -1.571 -0.932 1.00 0.39 O ATOM 1166 CB ILE A 78 7.689 -1.430 -0.490 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.569 -0.451 -0.110 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.194 -2.171 0.756 1.00 0.38 C ATOM 1169 CD1 ILE A 78 7.000 0.657 0.834 1.00 0.42 C ATOM 0 H ILE A 78 7.445 -0.270 -2.721 1.00 0.30 H new ATOM 0 HA ILE A 78 9.214 0.108 -0.560 1.00 0.32 H new ATOM 0 HB ILE A 78 7.283 -2.165 -1.185 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.171 -0.002 -1.020 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.755 -1.010 0.352 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.360 -2.679 1.240 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.945 -2.905 0.463 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.636 -1.456 1.450 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.149 1.302 1.050 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.370 0.221 1.762 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.791 1.244 0.368 1.00 0.42 H new ATOM 1181 N ASN A 79 9.714 -2.604 -2.397 1.00 0.33 N ATOM 1182 CA ASN A 79 10.706 -3.616 -2.758 1.00 0.38 C ATOM 1183 C ASN A 79 11.932 -2.992 -3.390 1.00 0.38 C ATOM 1184 O ASN A 79 13.042 -3.464 -3.193 1.00 0.42 O ATOM 1185 CB ASN A 79 10.113 -4.686 -3.665 1.00 0.46 C ATOM 1186 CG ASN A 79 9.121 -5.570 -2.942 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.247 -5.823 -1.740 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.132 -6.042 -3.648 1.00 0.82 N ATOM 0 H ASN A 79 8.827 -2.685 -2.894 1.00 0.33 H new ATOM 0 HA ASN A 79 11.017 -4.101 -1.833 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.620 -4.208 -4.512 1.00 0.46 H new ATOM 0 HB3 ASN A 79 10.916 -5.301 -4.070 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.432 -6.640 -3.209 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.058 -5.813 -4.639 1.00 0.82 H new ATOM 1195 N GLY A 80 11.730 -1.903 -4.115 1.00 0.38 N ATOM 1196 CA GLY A 80 12.833 -1.179 -4.713 1.00 0.46 C ATOM 1197 C GLY A 80 13.742 -0.579 -3.655 1.00 0.50 C ATOM 1198 O GLY A 80 14.965 -0.568 -3.807 1.00 0.62 O ATOM 0 H GLY A 80 10.810 -1.503 -4.302 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.408 -1.851 -5.350 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.445 -0.387 -5.353 1.00 0.46 H new ATOM 1202 N ALA A 81 13.148 -0.098 -2.576 1.00 0.47 N ATOM 1203 CA ALA A 81 13.904 0.464 -1.468 1.00 0.57 C ATOM 1204 C ALA A 81 14.610 -0.650 -0.705 1.00 0.62 C ATOM 1205 O ALA A 81 15.767 -0.512 -0.320 1.00 0.80 O ATOM 1206 CB ALA A 81 12.991 1.260 -0.543 1.00 0.59 C ATOM 0 H ALA A 81 12.137 -0.085 -2.443 1.00 0.47 H new ATOM 0 HA ALA A 81 14.656 1.147 -1.865 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.576 1.672 0.279 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.527 2.073 -1.101 1.00 0.59 H new ATOM 0 HB3 ALA A 81 12.216 0.605 -0.145 1.00 0.59 H new ATOM 1212 N LEU A 82 13.917 -1.773 -0.534 1.00 0.54 N ATOM 1213 CA LEU A 82 14.473 -2.954 0.133 1.00 0.61 C ATOM 1214 C LEU A 82 15.660 -3.508 -0.655 1.00 0.74 C ATOM 1215 O LEU A 82 16.656 -3.954 -0.073 1.00 0.89 O ATOM 1216 CB LEU A 82 13.395 -4.033 0.297 1.00 0.54 C ATOM 1217 CG LEU A 82 12.216 -3.676 1.209 1.00 0.58 C ATOM 1218 CD1 LEU A 82 11.142 -4.744 1.129 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.685 -3.515 2.648 1.00 0.68 C ATOM 0 H LEU A 82 12.955 -1.893 -0.852 1.00 0.54 H new ATOM 0 HA LEU A 82 14.823 -2.656 1.122 1.00 0.61 H new ATOM 0 HB2 LEU A 82 13.003 -4.279 -0.690 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.868 -4.935 0.686 1.00 0.54 H new ATOM 0 HG LEU A 82 11.795 -2.729 0.870 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.312 -4.475 1.782 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.784 -4.824 0.102 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.557 -5.701 1.444 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.835 -3.262 3.282 1.00 0.68 H new ATOM 0 HD22 LEU A 82 13.129 -4.449 2.993 1.00 0.68 H new ATOM 0 HD23 LEU A 82 13.428 -2.719 2.702 1.00 0.68 H new ATOM 1231 N ALA A 83 15.548 -3.463 -1.981 1.00 0.83 N ATOM 1232 CA ALA A 83 16.608 -3.897 -2.887 1.00 1.07 C ATOM 1233 C ALA A 83 17.859 -3.047 -2.698 1.00 1.28 C ATOM 1234 O ALA A 83 18.982 -3.560 -2.702 1.00 1.46 O ATOM 1235 CB ALA A 83 16.130 -3.823 -4.330 1.00 1.27 C ATOM 0 H ALA A 83 14.714 -3.122 -2.459 1.00 0.83 H new ATOM 0 HA ALA A 83 16.859 -4.932 -2.654 1.00 1.07 H new ATOM 0 HB1 ALA A 83 16.929 -4.149 -4.995 1.00 1.27 H new ATOM 0 HB2 ALA A 83 15.263 -4.471 -4.460 1.00 1.27 H new ATOM 0 HB3 ALA A 83 15.855 -2.796 -4.570 1.00 1.27 H new ATOM 1241 N GLU A 84 17.651 -1.759 -2.516 1.00 1.34 N ATOM 1242 CA GLU A 84 18.733 -0.826 -2.276 1.00 1.64 C ATOM 1243 C GLU A 84 19.315 -1.028 -0.887 1.00 1.75 C ATOM 1244 O GLU A 84 20.533 -0.936 -0.700 1.00 2.12 O ATOM 1245 CB GLU A 84 18.237 0.597 -2.443 1.00 1.67 C ATOM 1246 CG GLU A 84 17.811 0.924 -3.856 1.00 1.99 C ATOM 1247 CD GLU A 84 18.957 0.884 -4.829 1.00 2.14 C ATOM 1248 OE1 GLU A 84 19.329 -0.223 -5.278 1.00 2.82 O ATOM 1249 OE2 GLU A 84 19.527 1.939 -5.151 1.00 2.25 O ATOM 0 H GLU A 84 16.726 -1.329 -2.530 1.00 1.34 H new ATOM 0 HA GLU A 84 19.522 -1.011 -3.005 1.00 1.64 H new ATOM 0 HB2 GLU A 84 17.395 0.761 -1.771 1.00 1.67 H new ATOM 0 HB3 GLU A 84 19.025 1.286 -2.141 1.00 1.67 H new ATOM 0 HG2 GLU A 84 17.045 0.217 -4.173 1.00 1.99 H new ATOM 0 HG3 GLU A 84 17.358 1.915 -3.875 1.00 1.99 H new ATOM 1256 N ALA A 85 18.420 -1.279 0.067 1.00 1.60 N ATOM 1257 CA ALA A 85 18.742 -1.594 1.457 1.00 1.87 C ATOM 1258 C ALA A 85 19.245 -0.391 2.251 1.00 2.41 C ATOM 1259 O ALA A 85 20.002 0.454 1.751 1.00 2.97 O ATOM 1260 CB ALA A 85 19.700 -2.785 1.573 1.00 2.27 C ATOM 0 H ALA A 85 17.416 -1.268 -0.113 1.00 1.60 H new ATOM 0 HA ALA A 85 17.797 -1.886 1.915 1.00 1.87 H new ATOM 0 HB1 ALA A 85 19.910 -2.982 2.624 1.00 2.27 H new ATOM 0 HB2 ALA A 85 19.241 -3.666 1.124 1.00 2.27 H new ATOM 0 HB3 ALA A 85 20.630 -2.555 1.054 1.00 2.27 H new ATOM 1266 N ALA A 86 18.780 -0.300 3.471 1.00 2.92 N ATOM 1267 CA ALA A 86 19.199 0.728 4.387 1.00 3.83 C ATOM 1268 C ALA A 86 20.498 0.304 5.043 1.00 4.59 C ATOM 1269 O ALA A 86 20.488 -0.679 5.804 1.00 5.16 O ATOM 1270 CB ALA A 86 18.127 0.989 5.438 1.00 4.34 C ATOM 1271 OXT ALA A 86 21.540 0.939 4.804 1.00 4.98 O ATOM 0 H ALA A 86 18.092 -0.945 3.860 1.00 2.92 H new ATOM 0 HA ALA A 86 19.354 1.657 3.838 1.00 3.83 H new ATOM 0 HB1 ALA A 86 18.467 1.770 6.118 1.00 4.34 H new ATOM 0 HB2 ALA A 86 17.208 1.310 4.948 1.00 4.34 H new ATOM 0 HB3 ALA A 86 17.938 0.074 6.000 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -6.530 13.572 0.916 1.00 1.09 P HETATM 1279 O26 SXH A 87 -6.622 14.235 -0.484 1.00 1.22 O HETATM 1280 O23 SXH A 87 -7.668 13.833 1.953 1.00 1.42 O HETATM 1281 O27 SXH A 87 -5.178 13.996 1.515 1.00 1.10 O HETATM 1282 C28 SXH A 87 -4.833 13.541 2.853 1.00 1.13 C HETATM 1283 C29 SXH A 87 -3.345 13.750 3.152 1.00 1.27 C HETATM 1284 C30 SXH A 87 -3.103 13.215 4.524 1.00 1.36 C HETATM 1285 C31 SXH A 87 -2.507 12.935 2.152 1.00 1.28 C HETATM 1286 C32 SXH A 87 -2.929 15.286 3.060 1.00 1.57 C HETATM 1287 O33 SXH A 87 -2.769 15.643 1.678 1.00 1.62 O HETATM 1288 C34 SXH A 87 -1.550 15.480 3.680 1.00 1.82 C HETATM 1289 O35 SXH A 87 -0.552 15.254 3.015 1.00 2.00 O HETATM 1290 N36 SXH A 87 -1.508 15.890 4.931 1.00 1.99 N HETATM 1291 C37 SXH A 87 -0.280 16.119 5.717 1.00 2.29 C HETATM 1292 C38 SXH A 87 0.147 17.594 5.786 1.00 2.49 C HETATM 1293 C39 SXH A 87 1.002 18.115 4.615 1.00 2.41 C HETATM 1294 O40 SXH A 87 1.373 19.295 4.566 1.00 2.91 O HETATM 1295 N41 SXH A 87 1.296 17.235 3.702 1.00 2.12 N HETATM 1296 C42 SXH A 87 2.089 17.480 2.509 1.00 2.36 C HETATM 1297 C43 SXH A 87 2.081 16.279 1.599 1.00 2.13 C HETATM 1298 S1 SXH A 87 2.688 14.911 2.449 1.00 1.95 S HETATM 1299 C1 SXH A 87 2.555 13.752 1.165 1.00 1.93 C HETATM 1300 O1 SXH A 87 2.399 14.059 -0.044 1.00 2.69 O HETATM 1301 C2 SXH A 87 2.614 12.303 1.628 1.00 1.85 C HETATM 1302 C3 SXH A 87 1.287 11.566 1.511 1.00 2.13 C HETATM 1303 C4 SXH A 87 0.849 11.392 0.057 1.00 2.00 C HETATM 1304 C5 SXH A 87 -0.458 10.622 -0.050 1.00 2.32 C HETATM 1305 C6 SXH A 87 -0.286 9.235 0.521 1.00 2.32 C HETATM 0 HO33 SXH A 87 -3.522 15.289 1.160 1.00 1.62 H new HETATM 0 HN41 SXH A 87 0.938 16.289 3.836 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -2.399 16.064 5.396 1.00 1.99 H new HETATM 0 H43A SXH A 87 1.068 16.082 1.248 1.00 2.13 H new HETATM 0 H42A SXH A 87 1.695 18.346 1.977 1.00 2.36 H new HETATM 0 H38A SXH A 87 -0.752 18.207 5.852 1.00 2.49 H new HETATM 0 H37A SXH A 87 -0.434 15.747 6.730 1.00 2.29 H new HETATM 0 H31B SXH A 87 -2.753 11.878 2.248 1.00 1.28 H new HETATM 0 H31A SXH A 87 -2.726 13.268 1.137 1.00 1.28 H new HETATM 0 H30B SXH A 87 -3.722 13.756 5.240 1.00 1.36 H new HETATM 0 H30A SXH A 87 -3.358 12.156 4.552 1.00 1.36 H new HETATM 0 H28A SXH A 87 -5.432 14.080 3.587 1.00 1.13 H new HETATM 0 H6B SXH A 87 0.489 8.706 -0.034 1.00 2.32 H new HETATM 0 H6A SXH A 87 0.004 9.306 1.569 1.00 2.32 H new HETATM 0 H6 SXH A 87 -1.226 8.689 0.441 1.00 2.32 H new HETATM 0 H5A SXH A 87 -1.246 11.150 0.486 1.00 2.32 H new HETATM 0 H5 SXH A 87 -0.769 10.559 -1.093 1.00 2.32 H new HETATM 0 H4A SXH A 87 0.733 12.371 -0.408 1.00 2.00 H new HETATM 0 H43 SXH A 87 2.692 16.473 0.717 1.00 2.13 H new HETATM 0 H42 SXH A 87 3.114 17.719 2.792 1.00 2.36 H new HETATM 0 H4 SXH A 87 1.627 10.867 -0.497 1.00 2.00 H new HETATM 0 H3A SXH A 87 1.374 10.587 1.982 1.00 2.13 H new HETATM 0 H38 SXH A 87 0.705 17.745 6.710 1.00 2.49 H new HETATM 0 H37 SXH A 87 0.532 15.535 5.283 1.00 2.29 H new HETATM 0 H32 SXH A 87 -3.692 15.880 3.563 1.00 1.57 H new HETATM 0 H31 SXH A 87 -1.447 13.081 2.361 1.00 1.28 H new HETATM 0 H30 SXH A 87 -2.052 13.342 4.784 1.00 1.36 H new HETATM 0 H3 SXH A 87 0.519 12.115 2.057 1.00 2.13 H new HETATM 0 H2A SXH A 87 3.365 11.774 1.042 1.00 1.85 H new HETATM 0 H28 SXH A 87 -5.080 12.484 2.954 1.00 1.13 H new HETATM 0 H2 SXH A 87 2.943 12.276 2.667 1.00 1.85 H new