USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 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 Set 1.1: A 98 SER OG : rot 180:sc= 0.361 USER MOD Set 1.2: A 150 TYR OH : rot 30:sc= -0.891 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.4!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 158:sc= 0.702 (180deg=0.422) USER MOD Single : A 120 MET CE :methyl 171:sc= -1.39 (180deg=-1.82) USER MOD Single : A 122 GLN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 153:sc= -8.28! (180deg=-9.84!) USER MOD Single : A 138 LYS NZ :NH3+ -157:sc= 1.17 (180deg=0.964) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0.479 (180deg=0.479) USER MOD Single : A 143 ASN : amide:sc= -0.691 K(o=-0.69,f=-0.1) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 MET CE :methyl -153:sc= -0.194 (180deg=-0.379) USER MOD Single : A 158 LYS NZ :NH3+ -119:sc= 1.47 (180deg=0.189) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 2.391 4.301 5.899 1.00 1.26 N ATOM 61 CA GLU A 94 1.764 5.632 6.176 1.00 1.17 C ATOM 62 C GLU A 94 2.384 6.281 7.433 1.00 1.12 C ATOM 63 O GLU A 94 2.198 7.457 7.682 1.00 1.09 O ATOM 64 CB GLU A 94 0.277 5.333 6.377 1.00 1.33 C ATOM 65 CG GLU A 94 -0.381 5.133 5.006 1.00 1.28 C ATOM 66 CD GLU A 94 -1.682 5.936 4.933 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.676 5.461 5.455 1.00 2.09 O ATOM 68 OE2 GLU A 94 -1.661 7.010 4.355 1.00 1.94 O ATOM 0 HA GLU A 94 1.926 6.341 5.364 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.152 4.440 6.989 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.204 6.154 6.909 1.00 1.33 H new ATOM 0 HG2 GLU A 94 0.299 5.452 4.216 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.586 4.075 4.842 1.00 1.28 H new ATOM 75 N GLU A 95 3.139 5.535 8.211 1.00 1.19 N ATOM 76 CA GLU A 95 3.786 6.126 9.426 1.00 1.23 C ATOM 77 C GLU A 95 4.868 7.131 8.998 1.00 1.03 C ATOM 78 O GLU A 95 5.011 8.188 9.582 1.00 1.01 O ATOM 79 CB GLU A 95 4.398 4.938 10.188 1.00 1.45 C ATOM 80 CG GLU A 95 5.547 4.317 9.382 1.00 1.90 C ATOM 81 CD GLU A 95 5.871 2.929 9.934 1.00 2.12 C ATOM 82 OE1 GLU A 95 6.665 2.851 10.855 1.00 2.66 O ATOM 83 OE2 GLU A 95 5.326 1.968 9.418 1.00 2.49 O ATOM 0 H GLU A 95 3.333 4.546 8.056 1.00 1.19 H new ATOM 0 HA GLU A 95 3.079 6.668 10.054 1.00 1.23 H new ATOM 0 HB2 GLU A 95 4.765 5.271 11.159 1.00 1.45 H new ATOM 0 HB3 GLU A 95 3.632 4.187 10.378 1.00 1.45 H new ATOM 0 HG2 GLU A 95 5.269 4.245 8.330 1.00 1.90 H new ATOM 0 HG3 GLU A 95 6.429 4.956 9.436 1.00 1.90 H new ATOM 90 N GLU A 96 5.615 6.811 7.966 1.00 1.02 N ATOM 91 CA GLU A 96 6.672 7.744 7.470 1.00 0.94 C ATOM 92 C GLU A 96 6.124 8.577 6.303 1.00 0.79 C ATOM 93 O GLU A 96 6.585 9.673 6.046 1.00 0.82 O ATOM 94 CB GLU A 96 7.818 6.839 7.007 1.00 1.15 C ATOM 95 CG GLU A 96 9.079 7.152 7.819 1.00 1.62 C ATOM 96 CD GLU A 96 10.135 6.080 7.558 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.802 6.170 6.543 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.261 5.190 8.379 1.00 2.78 O ATOM 0 H GLU A 96 5.535 5.938 7.445 1.00 1.02 H new ATOM 0 HA GLU A 96 7.003 8.447 8.234 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.542 5.792 7.133 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.010 6.992 5.945 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.466 8.133 7.544 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.839 7.190 8.882 1.00 1.62 H new ATOM 105 N LEU A 97 5.138 8.061 5.602 1.00 0.77 N ATOM 106 CA LEU A 97 4.539 8.812 4.453 1.00 0.71 C ATOM 107 C LEU A 97 4.035 10.179 4.923 1.00 0.67 C ATOM 108 O LEU A 97 4.297 11.193 4.302 1.00 0.75 O ATOM 109 CB LEU A 97 3.360 7.949 3.979 1.00 0.80 C ATOM 110 CG LEU A 97 3.611 7.442 2.558 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.753 8.630 1.603 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.890 6.601 2.534 1.00 1.22 C ATOM 0 H LEU A 97 4.722 7.147 5.779 1.00 0.77 H new ATOM 0 HA LEU A 97 5.263 8.989 3.658 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.224 7.105 4.655 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.439 8.532 4.007 1.00 0.80 H new ATOM 0 HG LEU A 97 2.769 6.827 2.239 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.932 8.265 0.592 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.837 9.221 1.619 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.591 9.252 1.918 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.069 6.240 1.521 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.733 7.212 2.856 1.00 1.22 H new ATOM 0 HD23 LEU A 97 4.780 5.752 3.208 1.00 1.22 H new ATOM 124 N SER A 98 3.317 10.209 6.022 1.00 0.69 N ATOM 125 CA SER A 98 2.793 11.506 6.550 1.00 0.76 C ATOM 126 C SER A 98 3.944 12.494 6.760 1.00 0.72 C ATOM 127 O SER A 98 3.839 13.653 6.410 1.00 0.77 O ATOM 128 CB SER A 98 2.123 11.160 7.880 1.00 0.92 C ATOM 129 OG SER A 98 1.521 12.330 8.421 1.00 1.57 O ATOM 0 H SER A 98 3.072 9.388 6.576 1.00 0.69 H new ATOM 0 HA SER A 98 2.093 11.979 5.861 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.371 10.386 7.731 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.859 10.760 8.578 1.00 0.92 H new ATOM 0 HG SER A 98 1.089 12.112 9.273 1.00 1.57 H new ATOM 135 N ASP A 99 5.047 12.039 7.308 1.00 0.80 N ATOM 136 CA ASP A 99 6.217 12.948 7.518 1.00 0.86 C ATOM 137 C ASP A 99 6.707 13.477 6.161 1.00 0.81 C ATOM 138 O ASP A 99 6.960 14.655 6.005 1.00 0.91 O ATOM 139 CB ASP A 99 7.283 12.083 8.200 1.00 1.02 C ATOM 140 CG ASP A 99 7.018 12.044 9.706 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.198 11.242 10.124 1.00 1.83 O ATOM 142 OD2 ASP A 99 7.633 12.822 10.415 1.00 1.79 O ATOM 0 H ASP A 99 5.186 11.077 7.618 1.00 0.80 H new ATOM 0 HA ASP A 99 5.972 13.819 8.127 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.265 11.073 7.790 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.276 12.488 8.005 1.00 1.02 H new ATOM 147 N LEU A 100 6.805 12.621 5.167 1.00 0.75 N ATOM 148 CA LEU A 100 7.237 13.091 3.810 1.00 0.76 C ATOM 149 C LEU A 100 6.246 14.149 3.282 1.00 0.68 C ATOM 150 O LEU A 100 6.562 14.911 2.394 1.00 0.79 O ATOM 151 CB LEU A 100 7.217 11.844 2.916 1.00 0.86 C ATOM 152 CG LEU A 100 8.240 12.004 1.784 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.476 11.155 2.079 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.623 11.546 0.462 1.00 1.41 C ATOM 0 H LEU A 100 6.606 11.623 5.237 1.00 0.75 H new ATOM 0 HA LEU A 100 8.225 13.552 3.831 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.449 10.958 3.506 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.220 11.698 2.500 1.00 0.86 H new ATOM 0 HG LEU A 100 8.526 13.053 1.711 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.199 11.272 1.272 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.924 11.479 3.018 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.187 10.107 2.158 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.353 11.661 -0.339 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.332 10.498 0.540 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.744 12.151 0.242 1.00 1.41 H new ATOM 166 N PHE A 101 5.051 14.195 3.827 1.00 0.60 N ATOM 167 CA PHE A 101 4.039 15.203 3.374 1.00 0.59 C ATOM 168 C PHE A 101 4.074 16.468 4.260 1.00 0.60 C ATOM 169 O PHE A 101 4.358 17.554 3.794 1.00 0.72 O ATOM 170 CB PHE A 101 2.683 14.489 3.496 1.00 0.61 C ATOM 171 CG PHE A 101 1.576 15.365 2.940 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.119 16.475 3.666 1.00 0.86 C ATOM 173 CD2 PHE A 101 1.002 15.062 1.700 1.00 0.68 C ATOM 174 CE1 PHE A 101 0.093 17.278 3.151 1.00 0.90 C ATOM 175 CE2 PHE A 101 -0.023 15.866 1.186 1.00 0.73 C ATOM 176 CZ PHE A 101 -0.477 16.973 1.910 1.00 0.69 C ATOM 0 H PHE A 101 4.733 13.573 4.570 1.00 0.60 H new ATOM 0 HA PHE A 101 4.235 15.542 2.357 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.713 13.542 2.957 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.480 14.254 4.541 1.00 0.61 H new ATOM 0 HD1 PHE A 101 1.559 16.711 4.624 1.00 0.86 H new ATOM 0 HD2 PHE A 101 1.350 14.207 1.139 1.00 0.68 H new ATOM 0 HE1 PHE A 101 -0.258 18.132 3.711 1.00 0.90 H new ATOM 0 HE2 PHE A 101 -0.464 15.631 0.229 1.00 0.73 H new ATOM 0 HZ PHE A 101 -1.267 17.592 1.512 1.00 0.69 H new ATOM 186 N ARG A 102 3.749 16.330 5.527 1.00 0.67 N ATOM 187 CA ARG A 102 3.712 17.518 6.458 1.00 0.76 C ATOM 188 C ARG A 102 5.106 18.101 6.754 1.00 0.68 C ATOM 189 O ARG A 102 5.238 19.285 6.995 1.00 0.78 O ATOM 190 CB ARG A 102 3.070 16.997 7.756 1.00 0.99 C ATOM 191 CG ARG A 102 3.815 15.753 8.265 1.00 1.30 C ATOM 192 CD ARG A 102 4.510 16.065 9.591 1.00 1.45 C ATOM 193 NE ARG A 102 3.833 15.187 10.591 1.00 2.12 N ATOM 194 CZ ARG A 102 4.312 14.000 10.846 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.277 13.861 11.708 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 3.824 12.957 10.240 1.00 3.07 N ATOM 0 H ARG A 102 3.505 15.441 5.963 1.00 0.67 H new ATOM 0 HA ARG A 102 3.152 18.334 6.000 1.00 0.76 H new ATOM 0 HB2 ARG A 102 3.091 17.777 8.517 1.00 0.99 H new ATOM 0 HB3 ARG A 102 2.023 16.753 7.578 1.00 0.99 H new ATOM 0 HG2 ARG A 102 3.115 14.928 8.397 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.550 15.432 7.527 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.578 15.854 9.537 1.00 1.45 H new ATOM 0 HD3 ARG A 102 4.406 17.118 9.854 1.00 1.45 H new ATOM 0 HE ARG A 102 2.997 15.515 11.075 1.00 2.12 H new ATOM 0 HH11 ARG A 102 5.658 14.679 12.183 1.00 3.37 H new ATOM 0 HH12 ARG A 102 5.652 12.934 11.908 1.00 3.37 H new ATOM 0 HH21 ARG A 102 3.067 13.067 9.565 1.00 3.07 H new ATOM 0 HH22 ARG A 102 4.199 12.030 10.440 1.00 3.07 H new ATOM 210 N MET A 103 6.135 17.296 6.765 1.00 0.71 N ATOM 211 CA MET A 103 7.500 17.834 7.074 1.00 0.75 C ATOM 212 C MET A 103 8.242 18.268 5.797 1.00 0.68 C ATOM 213 O MET A 103 9.319 18.831 5.869 1.00 0.83 O ATOM 214 CB MET A 103 8.233 16.684 7.773 1.00 0.93 C ATOM 215 CG MET A 103 8.199 16.908 9.286 1.00 1.27 C ATOM 216 SD MET A 103 9.725 17.724 9.810 1.00 1.82 S ATOM 217 CE MET A 103 9.897 16.867 11.393 1.00 2.43 C ATOM 0 H MET A 103 6.094 16.295 6.575 1.00 0.71 H new ATOM 0 HA MET A 103 7.446 18.726 7.699 1.00 0.75 H new ATOM 0 HB2 MET A 103 7.762 15.733 7.524 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.265 16.630 7.425 1.00 0.93 H new ATOM 0 HG2 MET A 103 7.337 17.519 9.555 1.00 1.27 H new ATOM 0 HG3 MET A 103 8.088 15.955 9.803 1.00 1.27 H new ATOM 0 HE1 MET A 103 10.793 17.221 11.903 1.00 2.43 H new ATOM 0 HE2 MET A 103 9.024 17.069 12.013 1.00 2.43 H new ATOM 0 HE3 MET A 103 9.978 15.794 11.219 1.00 2.43 H new ATOM 227 N PHE A 104 7.690 18.011 4.635 1.00 0.68 N ATOM 228 CA PHE A 104 8.384 18.411 3.370 1.00 0.79 C ATOM 229 C PHE A 104 7.950 19.810 2.910 1.00 0.71 C ATOM 230 O PHE A 104 8.764 20.579 2.437 1.00 0.88 O ATOM 231 CB PHE A 104 7.971 17.357 2.341 1.00 0.94 C ATOM 232 CG PHE A 104 9.024 16.275 2.268 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.580 15.754 3.444 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.443 15.792 1.024 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.555 14.753 3.375 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.419 14.788 0.955 1.00 2.65 C ATOM 237 CZ PHE A 104 10.975 14.269 2.131 1.00 2.56 C ATOM 0 H PHE A 104 6.792 17.543 4.508 1.00 0.68 H new ATOM 0 HA PHE A 104 9.464 18.459 3.505 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.009 16.924 2.616 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.844 17.820 1.363 1.00 0.94 H new ATOM 0 HD1 PHE A 104 9.256 16.126 4.405 1.00 1.26 H new ATOM 0 HD2 PHE A 104 9.015 16.192 0.117 1.00 2.03 H new ATOM 0 HE1 PHE A 104 10.984 14.354 4.282 1.00 1.86 H new ATOM 0 HE2 PHE A 104 10.742 14.415 -0.005 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.727 13.496 2.078 1.00 2.56 H new ATOM 247 N ASP A 105 6.680 20.140 3.030 1.00 0.61 N ATOM 248 CA ASP A 105 6.197 21.490 2.581 1.00 0.60 C ATOM 249 C ASP A 105 7.103 22.608 3.122 1.00 0.56 C ATOM 250 O ASP A 105 7.040 22.972 4.282 1.00 0.63 O ATOM 251 CB ASP A 105 4.776 21.627 3.142 1.00 0.68 C ATOM 252 CG ASP A 105 4.006 22.671 2.328 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.214 23.849 2.559 1.00 1.45 O ATOM 254 OD2 ASP A 105 3.221 22.275 1.486 1.00 0.84 O ATOM 0 H ASP A 105 5.959 19.533 3.419 1.00 0.61 H new ATOM 0 HA ASP A 105 6.214 21.578 1.495 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.263 20.666 3.100 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.814 21.923 4.190 1.00 0.68 H new ATOM 259 N LYS A 106 7.946 23.150 2.278 1.00 0.59 N ATOM 260 CA LYS A 106 8.867 24.245 2.716 1.00 0.66 C ATOM 261 C LYS A 106 8.116 25.582 2.799 1.00 0.55 C ATOM 262 O LYS A 106 8.481 26.459 3.560 1.00 0.63 O ATOM 263 CB LYS A 106 9.947 24.297 1.632 1.00 0.87 C ATOM 264 CG LYS A 106 11.286 24.692 2.257 1.00 1.21 C ATOM 265 CD LYS A 106 12.332 23.611 1.959 1.00 1.61 C ATOM 266 CE LYS A 106 13.219 24.054 0.790 1.00 1.77 C ATOM 267 NZ LYS A 106 14.261 24.928 1.402 1.00 2.14 N1+ ATOM 0 H LYS A 106 8.036 22.879 1.299 1.00 0.59 H new ATOM 0 HA LYS A 106 9.285 24.064 3.706 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.034 23.326 1.145 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.668 25.016 0.861 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.616 25.651 1.858 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.173 24.816 3.334 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.943 23.430 2.843 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.837 22.671 1.716 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.668 23.196 0.289 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.642 24.595 0.040 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.906 25.270 0.661 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.805 25.740 1.865 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.800 24.385 2.107 1.00 2.14 H new ATOM 281 N ASN A 107 7.070 25.741 2.025 1.00 0.48 N ATOM 282 CA ASN A 107 6.291 27.018 2.056 1.00 0.50 C ATOM 283 C ASN A 107 5.485 27.142 3.366 1.00 0.58 C ATOM 284 O ASN A 107 5.072 28.224 3.739 1.00 0.70 O ATOM 285 CB ASN A 107 5.365 26.931 0.841 1.00 0.54 C ATOM 286 CG ASN A 107 4.721 28.291 0.561 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.263 29.322 0.906 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.577 28.340 -0.065 1.00 0.78 N ATOM 0 H ASN A 107 6.722 25.040 1.372 1.00 0.48 H new ATOM 0 HA ASN A 107 6.934 27.897 2.020 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.930 26.603 -0.032 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.591 26.185 1.019 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.142 29.241 -0.263 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.118 27.477 -0.357 1.00 0.78 H new ATOM 295 N ALA A 108 5.276 26.044 4.069 1.00 0.65 N ATOM 296 CA ALA A 108 4.521 26.074 5.368 1.00 0.84 C ATOM 297 C ALA A 108 3.045 26.474 5.167 1.00 0.78 C ATOM 298 O ALA A 108 2.691 27.638 5.219 1.00 0.96 O ATOM 299 CB ALA A 108 5.254 27.101 6.239 1.00 1.03 C ATOM 0 H ALA A 108 5.602 25.118 3.791 1.00 0.65 H new ATOM 0 HA ALA A 108 4.495 25.087 5.831 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.758 27.177 7.207 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.287 26.784 6.384 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.239 28.073 5.746 1.00 1.03 H new ATOM 305 N ASP A 109 2.182 25.502 4.961 1.00 0.73 N ATOM 306 CA ASP A 109 0.716 25.789 4.775 1.00 0.74 C ATOM 307 C ASP A 109 -0.113 24.483 4.800 1.00 0.78 C ATOM 308 O ASP A 109 -1.262 24.486 5.200 1.00 0.96 O ATOM 309 CB ASP A 109 0.580 26.495 3.415 1.00 0.72 C ATOM 310 CG ASP A 109 1.504 25.855 2.380 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.201 24.763 1.940 1.00 1.66 O ATOM 312 OD2 ASP A 109 2.498 26.472 2.040 1.00 1.95 O ATOM 0 H ASP A 109 2.432 24.514 4.913 1.00 0.73 H new ATOM 0 HA ASP A 109 0.336 26.414 5.583 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.453 26.439 3.072 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.823 27.552 3.522 1.00 0.72 H new ATOM 317 N GLY A 110 0.457 23.369 4.383 1.00 0.76 N ATOM 318 CA GLY A 110 -0.303 22.077 4.395 1.00 0.85 C ATOM 319 C GLY A 110 -0.475 21.531 2.970 1.00 0.70 C ATOM 320 O GLY A 110 -0.747 20.359 2.786 1.00 0.73 O ATOM 0 H GLY A 110 1.414 23.303 4.036 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.224 21.346 5.008 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.281 22.230 4.851 1.00 0.85 H new ATOM 324 N TYR A 111 -0.325 22.357 1.963 1.00 0.68 N ATOM 325 CA TYR A 111 -0.487 21.865 0.560 1.00 0.60 C ATOM 326 C TYR A 111 0.757 22.212 -0.262 1.00 0.58 C ATOM 327 O TYR A 111 1.148 23.358 -0.361 1.00 0.83 O ATOM 328 CB TYR A 111 -1.715 22.605 0.018 1.00 0.68 C ATOM 329 CG TYR A 111 -2.892 22.392 0.941 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.020 23.159 2.108 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.855 21.427 0.629 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.113 22.959 2.959 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.949 21.228 1.478 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.079 21.993 2.643 1.00 0.80 C ATOM 335 OH TYR A 111 -6.159 21.796 3.479 1.00 0.90 O ATOM 0 H TYR A 111 -0.098 23.347 2.052 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.612 20.783 0.510 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.499 23.670 -0.071 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.956 22.244 -0.982 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.276 23.903 2.350 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.754 20.835 -0.268 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.212 23.548 3.859 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.693 20.484 1.235 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.732 21.091 3.112 1.00 0.90 H new ATOM 345 N ILE A 112 1.380 21.229 -0.853 1.00 0.50 N ATOM 346 CA ILE A 112 2.610 21.494 -1.662 1.00 0.50 C ATOM 347 C ILE A 112 2.237 22.064 -3.039 1.00 0.49 C ATOM 348 O ILE A 112 1.562 21.434 -3.826 1.00 0.66 O ATOM 349 CB ILE A 112 3.310 20.133 -1.776 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.767 19.684 -0.379 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.528 20.260 -2.693 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.162 18.205 -0.401 1.00 0.66 C ATOM 0 H ILE A 112 1.092 20.251 -0.812 1.00 0.50 H new ATOM 0 HA ILE A 112 3.262 22.236 -1.202 1.00 0.50 H new ATOM 0 HB ILE A 112 2.620 19.399 -2.192 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.613 20.289 -0.054 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.965 19.843 0.342 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.025 19.293 -2.774 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.206 20.586 -3.682 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.222 20.991 -2.277 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.484 17.899 0.595 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.305 17.604 -0.706 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.979 18.057 -1.108 1.00 0.66 H new ATOM 364 N ASP A 113 2.673 23.264 -3.320 1.00 0.47 N ATOM 365 CA ASP A 113 2.357 23.920 -4.632 1.00 0.50 C ATOM 366 C ASP A 113 3.236 23.351 -5.763 1.00 0.50 C ATOM 367 O ASP A 113 3.748 22.253 -5.669 1.00 0.57 O ATOM 368 CB ASP A 113 2.646 25.409 -4.398 1.00 0.60 C ATOM 369 CG ASP A 113 1.717 25.949 -3.306 1.00 1.17 C ATOM 370 OD1 ASP A 113 2.091 25.877 -2.145 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.647 26.421 -3.647 1.00 1.77 O ATOM 0 H ASP A 113 3.243 23.828 -2.690 1.00 0.47 H new ATOM 0 HA ASP A 113 1.327 23.746 -4.943 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.687 25.546 -4.104 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.500 25.968 -5.323 1.00 0.60 H new ATOM 376 N LEU A 114 3.386 24.078 -6.844 1.00 0.52 N ATOM 377 CA LEU A 114 4.212 23.579 -7.992 1.00 0.57 C ATOM 378 C LEU A 114 5.692 23.997 -7.865 1.00 0.63 C ATOM 379 O LEU A 114 6.531 23.540 -8.619 1.00 0.80 O ATOM 380 CB LEU A 114 3.596 24.242 -9.227 1.00 0.62 C ATOM 381 CG LEU A 114 2.677 23.254 -9.943 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.268 23.845 -10.034 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.217 22.997 -11.351 1.00 0.81 C ATOM 0 H LEU A 114 2.971 24.999 -6.982 1.00 0.52 H new ATOM 0 HA LEU A 114 4.206 22.490 -8.035 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.033 25.128 -8.932 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.384 24.575 -9.903 1.00 0.62 H new ATOM 0 HG LEU A 114 2.640 22.316 -9.389 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.611 23.141 -10.545 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.887 24.034 -9.030 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.301 24.781 -10.592 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.565 22.292 -11.868 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.249 23.935 -11.905 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.222 22.580 -11.285 1.00 0.81 H new ATOM 395 N ASP A 115 6.018 24.881 -6.951 1.00 0.61 N ATOM 396 CA ASP A 115 7.439 25.341 -6.829 1.00 0.71 C ATOM 397 C ASP A 115 8.257 24.511 -5.823 1.00 0.65 C ATOM 398 O ASP A 115 9.309 24.005 -6.163 1.00 0.89 O ATOM 399 CB ASP A 115 7.347 26.799 -6.375 1.00 0.80 C ATOM 400 CG ASP A 115 8.287 27.649 -7.232 1.00 1.17 C ATOM 401 OD1 ASP A 115 7.978 27.847 -8.396 1.00 1.76 O ATOM 402 OD2 ASP A 115 9.303 28.076 -6.716 1.00 1.76 O ATOM 0 H ASP A 115 5.366 25.301 -6.288 1.00 0.61 H new ATOM 0 HA ASP A 115 7.961 25.224 -7.779 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.323 27.159 -6.470 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.618 26.883 -5.323 1.00 0.80 H new ATOM 407 N GLU A 116 7.814 24.380 -4.592 1.00 0.51 N ATOM 408 CA GLU A 116 8.620 23.588 -3.589 1.00 0.48 C ATOM 409 C GLU A 116 8.915 22.170 -4.119 1.00 0.49 C ATOM 410 O GLU A 116 9.884 21.549 -3.720 1.00 0.63 O ATOM 411 CB GLU A 116 7.789 23.502 -2.296 1.00 0.48 C ATOM 412 CG GLU A 116 7.273 24.880 -1.867 1.00 0.57 C ATOM 413 CD GLU A 116 5.867 24.726 -1.287 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.744 24.123 -0.233 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.936 25.213 -1.901 1.00 1.19 O ATOM 0 H GLU A 116 6.944 24.778 -4.238 1.00 0.51 H new ATOM 0 HA GLU A 116 9.577 24.077 -3.407 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.946 22.828 -2.448 1.00 0.48 H new ATOM 0 HB3 GLU A 116 8.398 23.076 -1.499 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.941 25.318 -1.125 1.00 0.57 H new ATOM 0 HG3 GLU A 116 7.256 25.558 -2.720 1.00 0.57 H new ATOM 422 N LEU A 117 8.096 21.656 -5.018 1.00 0.48 N ATOM 423 CA LEU A 117 8.340 20.283 -5.578 1.00 0.52 C ATOM 424 C LEU A 117 9.776 20.176 -6.123 1.00 0.58 C ATOM 425 O LEU A 117 10.443 19.174 -5.948 1.00 0.69 O ATOM 426 CB LEU A 117 7.342 20.120 -6.734 1.00 0.55 C ATOM 427 CG LEU A 117 5.896 20.097 -6.218 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.953 20.222 -7.409 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.611 18.776 -5.499 1.00 0.53 C ATOM 0 H LEU A 117 7.271 22.130 -5.386 1.00 0.48 H new ATOM 0 HA LEU A 117 8.215 19.515 -4.814 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.465 20.939 -7.443 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.553 19.197 -7.273 1.00 0.55 H new ATOM 0 HG LEU A 117 5.749 20.922 -5.521 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.921 20.207 -7.059 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.146 21.160 -7.929 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.117 19.388 -8.092 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.582 18.773 -5.138 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.755 17.946 -6.191 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.292 18.667 -4.655 1.00 0.53 H new ATOM 441 N LYS A 118 10.243 21.207 -6.790 1.00 0.59 N ATOM 442 CA LYS A 118 11.631 21.186 -7.366 1.00 0.69 C ATOM 443 C LYS A 118 12.662 21.755 -6.372 1.00 0.64 C ATOM 444 O LYS A 118 13.808 21.353 -6.374 1.00 0.73 O ATOM 445 CB LYS A 118 11.572 22.062 -8.632 1.00 0.83 C ATOM 446 CG LYS A 118 10.957 23.427 -8.302 1.00 0.99 C ATOM 447 CD LYS A 118 11.424 24.478 -9.310 1.00 1.35 C ATOM 448 CE LYS A 118 10.746 25.819 -8.995 1.00 1.51 C ATOM 449 NZ LYS A 118 9.579 25.902 -9.924 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.721 22.066 -6.962 1.00 0.59 H new ATOM 0 HA LYS A 118 11.945 20.166 -7.587 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.575 22.195 -9.038 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.980 21.564 -9.400 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.869 23.357 -8.317 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.243 23.728 -7.294 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.508 24.586 -9.265 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.177 24.162 -10.323 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.424 25.861 -7.955 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.432 26.652 -9.150 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 8.876 26.565 -9.540 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 9.899 26.238 -10.855 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 9.148 24.961 -10.025 1.00 1.99 H new ATOM 463 N ILE A 119 12.273 22.689 -5.533 1.00 0.68 N ATOM 464 CA ILE A 119 13.250 23.279 -4.559 1.00 0.74 C ATOM 465 C ILE A 119 13.753 22.205 -3.582 1.00 0.75 C ATOM 466 O ILE A 119 14.942 22.061 -3.375 1.00 0.85 O ATOM 467 CB ILE A 119 12.478 24.383 -3.821 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.323 25.596 -4.745 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.246 24.805 -2.565 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.967 26.259 -4.502 1.00 1.06 C ATOM 0 H ILE A 119 11.327 23.066 -5.481 1.00 0.68 H new ATOM 0 HA ILE A 119 14.133 23.678 -5.058 1.00 0.74 H new ATOM 0 HB ILE A 119 11.497 24.005 -3.535 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.126 26.310 -4.561 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.405 25.285 -5.786 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.693 25.588 -2.046 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.364 23.946 -1.905 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.229 25.182 -2.849 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.860 27.121 -5.161 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.170 25.544 -4.708 1.00 1.06 H new ATOM 0 HD13 ILE A 119 10.902 26.585 -3.464 1.00 1.06 H new ATOM 482 N MET A 120 12.863 21.448 -2.989 1.00 0.85 N ATOM 483 CA MET A 120 13.301 20.378 -2.035 1.00 1.01 C ATOM 484 C MET A 120 14.033 19.258 -2.788 1.00 0.95 C ATOM 485 O MET A 120 14.907 18.608 -2.249 1.00 1.11 O ATOM 486 CB MET A 120 12.016 19.839 -1.406 1.00 1.17 C ATOM 487 CG MET A 120 11.491 20.836 -0.371 1.00 1.52 C ATOM 488 SD MET A 120 9.698 20.996 -0.547 1.00 1.88 S ATOM 489 CE MET A 120 9.271 19.265 -0.229 1.00 1.43 C ATOM 0 H MET A 120 11.855 21.523 -3.123 1.00 0.85 H new ATOM 0 HA MET A 120 13.990 20.765 -1.284 1.00 1.01 H new ATOM 0 HB2 MET A 120 11.265 19.671 -2.178 1.00 1.17 H new ATOM 0 HB3 MET A 120 12.207 18.876 -0.933 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.740 20.498 0.635 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.969 21.806 -0.509 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.190 19.169 -0.131 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.617 18.647 -1.057 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.749 18.936 0.694 1.00 1.43 H new ATOM 499 N LEU A 121 13.684 19.034 -4.034 1.00 0.87 N ATOM 500 CA LEU A 121 14.362 17.960 -4.827 1.00 0.95 C ATOM 501 C LEU A 121 15.820 18.344 -5.137 1.00 0.87 C ATOM 502 O LEU A 121 16.618 17.502 -5.498 1.00 0.97 O ATOM 503 CB LEU A 121 13.550 17.837 -6.124 1.00 1.09 C ATOM 504 CG LEU A 121 13.033 16.401 -6.290 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.217 15.435 -6.385 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.153 16.019 -5.091 1.00 1.80 C ATOM 0 H LEU A 121 12.960 19.549 -4.535 1.00 0.87 H new ATOM 0 HA LEU A 121 14.399 17.019 -4.279 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.712 18.533 -6.105 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.171 18.109 -6.978 1.00 1.09 H new ATOM 0 HG LEU A 121 12.440 16.340 -7.203 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.847 14.416 -6.503 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.834 15.699 -7.244 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.814 15.501 -5.476 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.790 14.999 -5.216 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.738 16.086 -4.174 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.305 16.701 -5.030 1.00 1.80 H new ATOM 518 N GLN A 122 16.173 19.603 -4.995 1.00 0.82 N ATOM 519 CA GLN A 122 17.583 20.039 -5.277 1.00 0.95 C ATOM 520 C GLN A 122 18.590 19.201 -4.473 1.00 1.04 C ATOM 521 O GLN A 122 19.646 18.851 -4.965 1.00 1.19 O ATOM 522 CB GLN A 122 17.642 21.507 -4.845 1.00 1.14 C ATOM 523 CG GLN A 122 17.018 22.386 -5.936 1.00 1.42 C ATOM 524 CD GLN A 122 17.264 23.860 -5.613 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.096 24.496 -6.225 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.570 24.435 -4.672 1.00 2.28 N ATOM 0 H GLN A 122 15.545 20.349 -4.696 1.00 0.82 H new ATOM 0 HA GLN A 122 17.842 19.909 -6.328 1.00 0.95 H new ATOM 0 HB2 GLN A 122 17.108 21.642 -3.904 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.676 21.805 -4.670 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.449 22.139 -6.906 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.948 22.192 -6.005 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.870 23.902 -4.156 1.00 2.28 H new ATOM 0 HE22 GLN A 122 16.727 25.418 -4.451 1.00 2.28 H new ATOM 535 N ALA A 123 18.268 18.874 -3.244 1.00 1.09 N ATOM 536 CA ALA A 123 19.202 18.055 -2.408 1.00 1.33 C ATOM 537 C ALA A 123 19.061 16.563 -2.745 1.00 1.38 C ATOM 538 O ALA A 123 20.025 15.822 -2.714 1.00 1.62 O ATOM 539 CB ALA A 123 18.775 18.325 -0.961 1.00 1.45 C ATOM 0 H ALA A 123 17.397 19.139 -2.783 1.00 1.09 H new ATOM 0 HA ALA A 123 20.246 18.316 -2.583 1.00 1.33 H new ATOM 0 HB1 ALA A 123 19.413 17.759 -0.282 1.00 1.45 H new ATOM 0 HB2 ALA A 123 18.870 19.389 -0.746 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.738 18.018 -0.824 1.00 1.45 H new ATOM 545 N THR A 124 17.869 16.116 -3.063 1.00 1.29 N ATOM 546 CA THR A 124 17.668 14.668 -3.399 1.00 1.47 C ATOM 547 C THR A 124 18.214 14.356 -4.801 1.00 1.44 C ATOM 548 O THR A 124 18.736 13.285 -5.042 1.00 1.72 O ATOM 549 CB THR A 124 16.151 14.441 -3.354 1.00 1.56 C ATOM 550 OG1 THR A 124 15.610 15.032 -2.179 1.00 2.16 O ATOM 551 CG2 THR A 124 15.857 12.938 -3.351 1.00 1.92 C ATOM 0 H THR A 124 17.027 16.690 -3.105 1.00 1.29 H new ATOM 0 HA THR A 124 18.196 14.018 -2.702 1.00 1.47 H new ATOM 0 HB THR A 124 15.694 14.900 -4.231 1.00 1.56 H new ATOM 0 HG1 THR A 124 14.641 14.886 -2.156 1.00 2.16 H new ATOM 0 HG21 THR A 124 14.779 12.778 -3.319 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.264 12.486 -4.255 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.318 12.479 -2.477 1.00 1.92 H new ATOM 559 N GLY A 125 18.097 15.281 -5.724 1.00 1.26 N ATOM 560 CA GLY A 125 18.611 15.033 -7.105 1.00 1.32 C ATOM 561 C GLY A 125 17.770 15.808 -8.127 1.00 1.26 C ATOM 562 O GLY A 125 16.958 15.239 -8.830 1.00 1.63 O ATOM 0 H GLY A 125 17.668 16.195 -5.579 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.655 15.340 -7.174 1.00 1.32 H new ATOM 0 HA3 GLY A 125 18.577 13.967 -7.328 1.00 1.32 H new ATOM 566 N GLU A 126 17.968 17.101 -8.219 1.00 1.02 N ATOM 567 CA GLU A 126 17.191 17.918 -9.205 1.00 1.08 C ATOM 568 C GLU A 126 18.094 18.291 -10.391 1.00 0.89 C ATOM 569 O GLU A 126 18.750 19.317 -10.389 1.00 0.87 O ATOM 570 CB GLU A 126 16.757 19.165 -8.429 1.00 1.34 C ATOM 571 CG GLU A 126 15.272 19.451 -8.682 1.00 1.45 C ATOM 572 CD GLU A 126 15.107 20.266 -9.967 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.284 19.700 -11.032 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.803 21.443 -9.862 1.00 2.16 O ATOM 0 H GLU A 126 18.635 17.627 -7.654 1.00 1.02 H new ATOM 0 HA GLU A 126 16.333 17.385 -9.615 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.931 19.019 -7.363 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.358 20.021 -8.735 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.721 18.514 -8.763 1.00 1.45 H new ATOM 0 HG3 GLU A 126 14.850 19.997 -7.839 1.00 1.45 H new ATOM 581 N THR A 127 18.139 17.453 -11.396 1.00 1.09 N ATOM 582 CA THR A 127 19.005 17.736 -12.587 1.00 1.21 C ATOM 583 C THR A 127 18.144 17.981 -13.833 1.00 1.29 C ATOM 584 O THR A 127 18.451 17.510 -14.914 1.00 1.60 O ATOM 585 CB THR A 127 19.865 16.476 -12.767 1.00 1.57 C ATOM 586 OG1 THR A 127 19.051 15.315 -12.645 1.00 1.91 O ATOM 587 CG2 THR A 127 20.962 16.442 -11.700 1.00 2.18 C ATOM 0 H THR A 127 17.612 16.581 -11.445 1.00 1.09 H new ATOM 0 HA THR A 127 19.614 18.629 -12.445 1.00 1.21 H new ATOM 0 HB THR A 127 20.322 16.496 -13.757 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.604 14.514 -12.762 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.570 15.547 -11.831 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.592 17.326 -11.798 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.506 16.429 -10.710 1.00 2.18 H new ATOM 595 N ILE A 128 17.070 18.715 -13.691 1.00 1.08 N ATOM 596 CA ILE A 128 16.183 18.993 -14.864 1.00 1.20 C ATOM 597 C ILE A 128 15.608 20.412 -14.774 1.00 1.18 C ATOM 598 O ILE A 128 15.908 21.158 -13.862 1.00 1.15 O ATOM 599 CB ILE A 128 15.061 17.945 -14.794 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.442 17.926 -13.386 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.634 16.563 -15.120 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.375 16.834 -13.299 1.00 2.03 C ATOM 0 H ILE A 128 16.767 19.135 -12.812 1.00 1.08 H new ATOM 0 HA ILE A 128 16.727 18.932 -15.807 1.00 1.20 H new ATOM 0 HB ILE A 128 14.288 18.202 -15.518 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.218 17.748 -12.641 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.000 18.897 -13.161 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.839 15.819 -15.071 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.060 16.573 -16.123 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.411 16.312 -14.398 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.942 16.827 -12.299 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.593 17.031 -14.032 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.829 15.865 -13.504 1.00 2.03 H new ATOM 614 N THR A 129 14.787 20.786 -15.718 1.00 1.34 N ATOM 615 CA THR A 129 14.186 22.156 -15.702 1.00 1.42 C ATOM 616 C THR A 129 12.839 22.134 -14.966 1.00 1.16 C ATOM 617 O THR A 129 12.290 21.081 -14.696 1.00 0.97 O ATOM 618 CB THR A 129 13.988 22.516 -17.182 1.00 1.64 C ATOM 619 OG1 THR A 129 15.133 22.121 -17.929 1.00 2.23 O ATOM 620 CG2 THR A 129 13.790 24.025 -17.329 1.00 2.28 C ATOM 0 H THR A 129 14.504 20.201 -16.504 1.00 1.34 H new ATOM 0 HA THR A 129 14.816 22.881 -15.186 1.00 1.42 H new ATOM 0 HB THR A 129 13.107 21.996 -17.557 1.00 1.64 H new ATOM 0 HG1 THR A 129 15.003 22.350 -18.873 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.650 24.273 -18.381 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.911 24.333 -16.764 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.668 24.546 -16.947 1.00 2.28 H new ATOM 628 N GLU A 130 12.296 23.287 -14.648 1.00 1.31 N ATOM 629 CA GLU A 130 10.972 23.328 -13.941 1.00 1.28 C ATOM 630 C GLU A 130 9.901 22.608 -14.778 1.00 1.16 C ATOM 631 O GLU A 130 8.956 22.058 -14.243 1.00 1.21 O ATOM 632 CB GLU A 130 10.623 24.814 -13.768 1.00 1.69 C ATOM 633 CG GLU A 130 10.758 25.561 -15.103 1.00 2.05 C ATOM 634 CD GLU A 130 11.847 26.629 -14.978 1.00 2.43 C ATOM 635 OE1 GLU A 130 13.005 26.289 -15.162 1.00 3.03 O ATOM 636 OE2 GLU A 130 11.506 27.765 -14.697 1.00 2.70 O ATOM 0 H GLU A 130 12.710 24.198 -14.846 1.00 1.31 H new ATOM 0 HA GLU A 130 11.017 22.823 -12.976 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.605 24.912 -13.392 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.282 25.264 -13.025 1.00 1.69 H new ATOM 0 HG2 GLU A 130 11.009 24.861 -15.900 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.808 26.024 -15.372 1.00 2.05 H new ATOM 643 N ASP A 131 10.056 22.591 -16.082 1.00 1.18 N ATOM 644 CA ASP A 131 9.066 21.888 -16.957 1.00 1.19 C ATOM 645 C ASP A 131 9.055 20.395 -16.607 1.00 1.07 C ATOM 646 O ASP A 131 8.011 19.780 -16.489 1.00 1.14 O ATOM 647 CB ASP A 131 9.569 22.101 -18.391 1.00 1.44 C ATOM 648 CG ASP A 131 9.638 23.598 -18.704 1.00 1.48 C ATOM 649 OD1 ASP A 131 10.670 24.191 -18.437 1.00 1.91 O ATOM 650 OD2 ASP A 131 8.661 24.122 -19.209 1.00 2.07 O ATOM 0 H ASP A 131 10.829 23.036 -16.578 1.00 1.18 H new ATOM 0 HA ASP A 131 8.051 22.265 -16.831 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.554 21.650 -18.510 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.903 21.604 -19.096 1.00 1.44 H new ATOM 655 N ASP A 132 10.220 19.819 -16.420 1.00 1.00 N ATOM 656 CA ASP A 132 10.304 18.372 -16.050 1.00 1.03 C ATOM 657 C ASP A 132 9.672 18.157 -14.667 1.00 0.88 C ATOM 658 O ASP A 132 9.081 17.128 -14.400 1.00 1.03 O ATOM 659 CB ASP A 132 11.803 18.050 -16.015 1.00 1.13 C ATOM 660 CG ASP A 132 12.431 18.334 -17.382 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.372 17.463 -18.233 1.00 1.79 O ATOM 662 OD2 ASP A 132 12.964 19.417 -17.552 1.00 1.99 O ATOM 0 H ASP A 132 11.119 20.293 -16.509 1.00 1.00 H new ATOM 0 HA ASP A 132 9.774 17.730 -16.753 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.294 18.649 -15.248 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.953 17.004 -15.747 1.00 1.13 H new ATOM 667 N ILE A 133 9.777 19.134 -13.792 1.00 0.75 N ATOM 668 CA ILE A 133 9.162 19.000 -12.430 1.00 0.77 C ATOM 669 C ILE A 133 7.638 18.886 -12.573 1.00 0.70 C ATOM 670 O ILE A 133 6.998 18.118 -11.879 1.00 0.82 O ATOM 671 CB ILE A 133 9.537 20.280 -11.664 1.00 0.87 C ATOM 672 CG1 ILE A 133 11.066 20.452 -11.629 1.00 0.96 C ATOM 673 CG2 ILE A 133 9.003 20.194 -10.229 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.711 19.293 -10.860 1.00 1.00 C ATOM 0 H ILE A 133 10.261 20.016 -13.963 1.00 0.75 H new ATOM 0 HA ILE A 133 9.517 18.114 -11.904 1.00 0.77 H new ATOM 0 HB ILE A 133 9.094 21.137 -12.172 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.459 20.487 -12.645 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.322 21.400 -11.155 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.269 21.101 -9.687 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.918 20.089 -10.250 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.442 19.331 -9.729 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.793 19.426 -10.842 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.330 19.277 -9.839 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.469 18.351 -11.352 1.00 1.00 H new ATOM 686 N GLU A 134 7.057 19.633 -13.485 1.00 0.61 N ATOM 687 CA GLU A 134 5.577 19.557 -13.694 1.00 0.64 C ATOM 688 C GLU A 134 5.192 18.172 -14.234 1.00 0.64 C ATOM 689 O GLU A 134 4.084 17.710 -14.030 1.00 0.76 O ATOM 690 CB GLU A 134 5.249 20.654 -14.711 1.00 0.73 C ATOM 691 CG GLU A 134 4.929 21.957 -13.969 1.00 0.89 C ATOM 692 CD GLU A 134 5.255 23.155 -14.861 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.413 23.516 -15.667 1.00 1.87 O ATOM 694 OE2 GLU A 134 6.340 23.694 -14.720 1.00 1.86 O ATOM 0 H GLU A 134 7.545 20.291 -14.092 1.00 0.61 H new ATOM 0 HA GLU A 134 5.022 19.700 -12.767 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.092 20.804 -15.385 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.400 20.354 -15.325 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.876 21.977 -13.688 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.506 22.012 -13.046 1.00 0.89 H new ATOM 701 N GLU A 135 6.103 17.496 -14.903 1.00 0.59 N ATOM 702 CA GLU A 135 5.794 16.131 -15.433 1.00 0.67 C ATOM 703 C GLU A 135 5.371 15.212 -14.282 1.00 0.74 C ATOM 704 O GLU A 135 4.394 14.498 -14.379 1.00 0.91 O ATOM 705 CB GLU A 135 7.096 15.625 -16.064 1.00 0.72 C ATOM 706 CG GLU A 135 6.777 14.758 -17.292 1.00 1.16 C ATOM 707 CD GLU A 135 5.781 13.655 -16.915 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.170 12.745 -16.201 1.00 2.03 O ATOM 709 OE2 GLU A 135 4.641 13.743 -17.343 1.00 2.29 O ATOM 0 H GLU A 135 7.045 17.833 -15.103 1.00 0.59 H new ATOM 0 HA GLU A 135 4.980 16.150 -16.157 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.721 16.469 -16.356 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.663 15.045 -15.335 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.361 15.378 -18.086 1.00 1.16 H new ATOM 0 HG3 GLU A 135 7.693 14.314 -17.681 1.00 1.16 H new ATOM 716 N LEU A 136 6.087 15.235 -13.185 1.00 0.73 N ATOM 717 CA LEU A 136 5.697 14.372 -12.033 1.00 0.87 C ATOM 718 C LEU A 136 4.624 15.091 -11.187 1.00 0.81 C ATOM 719 O LEU A 136 3.885 14.464 -10.453 1.00 1.00 O ATOM 720 CB LEU A 136 7.008 14.086 -11.263 1.00 0.99 C ATOM 721 CG LEU A 136 7.167 14.994 -10.034 1.00 1.09 C ATOM 722 CD1 LEU A 136 7.531 14.141 -8.810 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.287 16.007 -10.285 1.00 1.75 C ATOM 0 H LEU A 136 6.917 15.809 -13.040 1.00 0.73 H new ATOM 0 HA LEU A 136 5.242 13.428 -12.333 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.022 13.043 -10.947 1.00 0.99 H new ATOM 0 HB3 LEU A 136 7.858 14.228 -11.930 1.00 0.99 H new ATOM 0 HG LEU A 136 6.229 15.519 -9.853 1.00 1.09 H new ATOM 0 HD11 LEU A 136 7.644 14.785 -7.938 1.00 1.74 H new ATOM 0 HD12 LEU A 136 6.740 13.415 -8.624 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.468 13.617 -8.997 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.398 16.650 -9.412 1.00 1.75 H new ATOM 0 HD22 LEU A 136 9.222 15.478 -10.467 1.00 1.75 H new ATOM 0 HD23 LEU A 136 8.039 16.615 -11.155 1.00 1.75 H new ATOM 735 N MET A 137 4.515 16.402 -11.307 1.00 0.67 N ATOM 736 CA MET A 137 3.472 17.150 -10.535 1.00 0.71 C ATOM 737 C MET A 137 2.066 16.732 -10.988 1.00 0.68 C ATOM 738 O MET A 137 1.161 16.648 -10.183 1.00 0.70 O ATOM 739 CB MET A 137 3.709 18.634 -10.842 1.00 0.82 C ATOM 740 CG MET A 137 3.233 19.485 -9.656 1.00 0.99 C ATOM 741 SD MET A 137 1.535 20.045 -9.937 1.00 0.94 S ATOM 742 CE MET A 137 1.250 20.782 -8.303 1.00 0.53 C ATOM 0 H MET A 137 5.105 16.980 -11.906 1.00 0.67 H new ATOM 0 HA MET A 137 3.541 16.943 -9.467 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.768 18.813 -11.030 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.172 18.919 -11.747 1.00 0.82 H new ATOM 0 HG2 MET A 137 3.285 18.903 -8.736 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.891 20.344 -9.527 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.506 21.575 -8.386 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.889 20.016 -7.616 1.00 0.53 H new ATOM 0 HE3 MET A 137 2.183 21.198 -7.924 1.00 0.53 H new ATOM 752 N LYS A 138 1.868 16.465 -12.265 1.00 0.76 N ATOM 753 CA LYS A 138 0.501 16.050 -12.735 1.00 0.82 C ATOM 754 C LYS A 138 0.026 14.809 -11.965 1.00 0.72 C ATOM 755 O LYS A 138 -1.141 14.689 -11.643 1.00 0.84 O ATOM 756 CB LYS A 138 0.616 15.760 -14.240 1.00 0.99 C ATOM 757 CG LYS A 138 1.695 14.708 -14.516 1.00 1.57 C ATOM 758 CD LYS A 138 1.048 13.406 -15.002 1.00 2.09 C ATOM 759 CE LYS A 138 1.896 12.211 -14.555 1.00 2.74 C ATOM 760 NZ LYS A 138 3.122 12.256 -15.405 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.583 16.516 -12.991 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.234 16.835 -12.555 1.00 0.82 H new ATOM 0 HB2 LYS A 138 -0.344 15.410 -14.621 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.855 16.680 -14.774 1.00 0.99 H new ATOM 0 HG2 LYS A 138 2.392 15.079 -15.267 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.272 14.521 -13.610 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.038 13.318 -14.601 1.00 2.09 H new ATOM 0 HD3 LYS A 138 0.960 13.416 -16.088 1.00 2.09 H new ATOM 0 HE2 LYS A 138 2.148 12.282 -13.497 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.357 11.273 -14.692 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 3.548 11.309 -15.450 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 2.868 12.567 -16.364 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 3.805 12.924 -14.994 1.00 3.43 H new ATOM 774 N ASP A 139 0.921 13.904 -11.634 1.00 0.75 N ATOM 775 CA ASP A 139 0.509 12.700 -10.848 1.00 0.78 C ATOM 776 C ASP A 139 0.096 13.143 -9.437 1.00 0.70 C ATOM 777 O ASP A 139 -0.710 12.506 -8.785 1.00 0.81 O ATOM 778 CB ASP A 139 1.738 11.784 -10.804 1.00 0.97 C ATOM 779 CG ASP A 139 1.359 10.407 -11.350 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.483 9.784 -10.774 1.00 1.69 O ATOM 781 OD2 ASP A 139 1.945 10.003 -12.340 1.00 1.66 O ATOM 0 H ASP A 139 1.911 13.949 -11.874 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.340 12.179 -11.291 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.547 12.213 -11.395 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.103 11.695 -9.781 1.00 0.97 H new ATOM 786 N GLY A 140 0.625 14.254 -8.982 1.00 0.64 N ATOM 787 CA GLY A 140 0.251 14.778 -7.642 1.00 0.62 C ATOM 788 C GLY A 140 -1.020 15.608 -7.799 1.00 0.57 C ATOM 789 O GLY A 140 -2.078 15.220 -7.352 1.00 0.65 O ATOM 0 H GLY A 140 1.305 14.820 -9.490 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.086 13.957 -6.944 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.056 15.388 -7.233 1.00 0.62 H new ATOM 793 N ASP A 141 -0.927 16.736 -8.455 1.00 0.56 N ATOM 794 CA ASP A 141 -2.134 17.587 -8.663 1.00 0.56 C ATOM 795 C ASP A 141 -2.830 17.210 -9.978 1.00 0.58 C ATOM 796 O ASP A 141 -2.714 17.902 -10.974 1.00 0.64 O ATOM 797 CB ASP A 141 -1.611 19.029 -8.712 1.00 0.60 C ATOM 798 CG ASP A 141 -2.679 19.992 -8.182 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.849 19.768 -8.452 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.309 20.937 -7.512 1.00 1.23 O ATOM 0 H ASP A 141 -0.064 17.104 -8.856 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.871 17.456 -7.870 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.703 19.116 -8.115 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.346 19.294 -9.736 1.00 0.60 H new ATOM 805 N LYS A 142 -3.563 16.123 -9.987 1.00 0.62 N ATOM 806 CA LYS A 142 -4.276 15.717 -11.238 1.00 0.70 C ATOM 807 C LYS A 142 -5.371 16.744 -11.562 1.00 0.79 C ATOM 808 O LYS A 142 -5.653 17.017 -12.715 1.00 0.92 O ATOM 809 CB LYS A 142 -4.874 14.335 -10.945 1.00 0.79 C ATOM 810 CG LYS A 142 -4.188 13.290 -11.835 1.00 0.88 C ATOM 811 CD LYS A 142 -4.217 11.921 -11.146 1.00 1.37 C ATOM 812 CE LYS A 142 -3.099 11.846 -10.101 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.429 10.531 -10.330 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.698 15.503 -9.188 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.613 15.675 -12.102 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.737 14.081 -9.894 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.948 14.343 -11.134 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.693 13.233 -12.799 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.158 13.587 -12.032 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.185 11.763 -10.670 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.092 11.129 -11.884 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.396 12.671 -10.218 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.501 11.911 -9.090 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.653 10.414 -9.648 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -3.119 9.763 -10.204 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.048 10.499 -11.297 1.00 2.44 H new ATOM 827 N ASN A 143 -5.971 17.338 -10.552 1.00 0.80 N ATOM 828 CA ASN A 143 -7.028 18.374 -10.801 1.00 0.95 C ATOM 829 C ASN A 143 -6.386 19.666 -11.333 1.00 0.92 C ATOM 830 O ASN A 143 -7.039 20.473 -11.966 1.00 1.08 O ATOM 831 CB ASN A 143 -7.687 18.651 -9.441 1.00 1.07 C ATOM 832 CG ASN A 143 -8.125 17.345 -8.775 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.902 16.597 -9.329 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.656 17.044 -7.597 1.00 1.70 N ATOM 0 H ASN A 143 -5.774 17.150 -9.569 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.753 18.029 -11.538 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.987 19.178 -8.793 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.550 19.303 -9.576 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.942 16.178 -7.140 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.002 17.674 -7.132 1.00 1.70 H new ATOM 841 N ASN A 144 -5.110 19.864 -11.063 1.00 0.86 N ATOM 842 CA ASN A 144 -4.398 21.097 -11.526 1.00 0.93 C ATOM 843 C ASN A 144 -5.003 22.348 -10.870 1.00 1.03 C ATOM 844 O ASN A 144 -5.268 23.339 -11.525 1.00 1.71 O ATOM 845 CB ASN A 144 -4.568 21.126 -13.052 1.00 1.08 C ATOM 846 CG ASN A 144 -3.195 21.240 -13.717 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.917 22.200 -14.405 1.00 2.18 O ATOM 848 ND2 ASN A 144 -2.315 20.293 -13.539 1.00 1.97 N ATOM 0 H ASN A 144 -4.529 19.213 -10.535 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.344 21.087 -11.249 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.073 20.221 -13.389 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.196 21.969 -13.343 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -1.397 20.361 -13.978 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -2.545 19.485 -12.961 1.00 1.97 H new ATOM 855 N ASP A 145 -5.203 22.311 -9.574 1.00 0.88 N ATOM 856 CA ASP A 145 -5.773 23.506 -8.869 1.00 0.92 C ATOM 857 C ASP A 145 -4.646 24.415 -8.340 1.00 0.91 C ATOM 858 O ASP A 145 -4.899 25.519 -7.894 1.00 1.07 O ATOM 859 CB ASP A 145 -6.655 22.979 -7.713 1.00 0.93 C ATOM 860 CG ASP A 145 -6.029 21.760 -7.030 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.998 21.915 -6.407 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.605 20.691 -7.131 1.00 1.89 O ATOM 0 H ASP A 145 -4.998 21.511 -8.976 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.369 24.110 -9.553 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.803 23.771 -6.979 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.639 22.714 -8.099 1.00 0.93 H new ATOM 867 N GLY A 146 -3.405 23.976 -8.404 1.00 0.84 N ATOM 868 CA GLY A 146 -2.279 24.838 -7.926 1.00 0.92 C ATOM 869 C GLY A 146 -1.645 24.271 -6.649 1.00 0.66 C ATOM 870 O GLY A 146 -0.474 24.480 -6.397 1.00 0.74 O ATOM 0 H GLY A 146 -3.129 23.063 -8.765 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.522 24.917 -8.706 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -2.646 25.846 -7.735 1.00 0.92 H new ATOM 874 N ARG A 147 -2.397 23.569 -5.835 1.00 0.56 N ATOM 875 CA ARG A 147 -1.810 23.016 -4.572 1.00 0.54 C ATOM 876 C ARG A 147 -2.033 21.502 -4.461 1.00 0.46 C ATOM 877 O ARG A 147 -3.102 20.988 -4.737 1.00 0.45 O ATOM 878 CB ARG A 147 -2.518 23.760 -3.429 1.00 0.77 C ATOM 879 CG ARG A 147 -4.041 23.628 -3.562 1.00 1.39 C ATOM 880 CD ARG A 147 -4.582 22.736 -2.443 1.00 1.79 C ATOM 881 NE ARG A 147 -6.046 23.026 -2.398 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.839 22.548 -3.317 1.00 2.87 C ATOM 883 NH1 ARG A 147 -7.347 21.356 -3.185 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -7.120 23.264 -4.369 1.00 3.10 N ATOM 0 H ARG A 147 -3.383 23.356 -5.988 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.730 23.161 -4.543 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.195 23.356 -2.470 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.236 24.813 -3.443 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.507 24.612 -3.512 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.295 23.204 -4.533 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.394 21.683 -2.651 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.104 22.963 -1.490 1.00 1.79 H new ATOM 0 HE ARG A 147 -6.427 23.600 -1.646 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -7.125 20.795 -2.362 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -7.967 20.983 -3.904 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -6.720 24.197 -4.473 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -7.740 22.892 -5.089 1.00 3.10 H new ATOM 898 N ILE A 148 -1.016 20.790 -4.056 1.00 0.49 N ATOM 899 CA ILE A 148 -1.133 19.308 -3.922 1.00 0.44 C ATOM 900 C ILE A 148 -1.719 18.944 -2.548 1.00 0.46 C ATOM 901 O ILE A 148 -1.326 19.486 -1.531 1.00 0.63 O ATOM 902 CB ILE A 148 0.304 18.796 -4.090 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.772 19.074 -5.522 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.373 17.294 -3.831 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.112 18.379 -5.772 1.00 0.63 C ATOM 0 H ILE A 148 -0.103 21.173 -3.811 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.803 18.861 -4.656 1.00 0.44 H new ATOM 0 HB ILE A 148 0.945 19.309 -3.373 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.028 18.716 -6.234 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.874 20.148 -5.679 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.400 16.950 -3.955 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.040 17.084 -2.814 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.272 16.773 -4.538 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.441 18.579 -6.792 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.855 18.758 -5.070 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.996 17.304 -5.633 1.00 0.63 H new ATOM 917 N ASP A 149 -2.671 18.041 -2.521 1.00 0.48 N ATOM 918 CA ASP A 149 -3.314 17.644 -1.228 1.00 0.53 C ATOM 919 C ASP A 149 -2.836 16.250 -0.783 1.00 0.53 C ATOM 920 O ASP A 149 -1.973 15.649 -1.396 1.00 0.63 O ATOM 921 CB ASP A 149 -4.821 17.626 -1.528 1.00 0.58 C ATOM 922 CG ASP A 149 -5.260 18.967 -2.124 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.190 19.110 -3.334 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.664 19.828 -1.362 1.00 1.84 O ATOM 0 H ASP A 149 -3.032 17.559 -3.344 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.061 18.329 -0.419 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.051 16.819 -2.223 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.379 17.427 -0.613 1.00 0.58 H new ATOM 929 N TYR A 150 -3.398 15.739 0.287 1.00 0.58 N ATOM 930 CA TYR A 150 -2.992 14.387 0.797 1.00 0.60 C ATOM 931 C TYR A 150 -3.619 13.273 -0.050 1.00 0.59 C ATOM 932 O TYR A 150 -2.960 12.317 -0.415 1.00 0.63 O ATOM 933 CB TYR A 150 -3.538 14.329 2.225 1.00 0.73 C ATOM 934 CG TYR A 150 -2.606 13.538 3.104 1.00 0.72 C ATOM 935 CD1 TYR A 150 -2.462 12.159 2.913 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.896 14.183 4.121 1.00 1.15 C ATOM 937 CE1 TYR A 150 -1.607 11.426 3.741 1.00 1.56 C ATOM 938 CE2 TYR A 150 -1.040 13.450 4.948 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.896 12.072 4.759 1.00 1.48 C ATOM 940 OH TYR A 150 -0.053 11.353 5.577 1.00 1.96 O ATOM 0 H TYR A 150 -4.125 16.202 0.833 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.912 14.245 0.754 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.653 15.338 2.620 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.527 13.871 2.226 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -3.011 11.662 2.127 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -2.009 15.247 4.268 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -1.495 10.362 3.595 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -0.490 13.948 5.733 1.00 1.43 H new ATOM 0 HH TYR A 150 0.310 10.589 5.082 1.00 1.96 H new ATOM 950 N ASP A 151 -4.888 13.389 -0.354 1.00 0.64 N ATOM 951 CA ASP A 151 -5.580 12.342 -1.175 1.00 0.70 C ATOM 952 C ASP A 151 -4.865 12.132 -2.519 1.00 0.63 C ATOM 953 O ASP A 151 -4.774 11.023 -3.014 1.00 0.77 O ATOM 954 CB ASP A 151 -7.008 12.877 -1.392 1.00 0.79 C ATOM 955 CG ASP A 151 -6.969 14.269 -2.039 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.846 15.237 -1.307 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.065 14.341 -3.253 1.00 1.90 O ATOM 0 H ASP A 151 -5.480 14.169 -0.068 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.580 11.373 -0.676 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -7.567 12.190 -2.027 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.532 12.928 -0.438 1.00 0.79 H new ATOM 962 N GLU A 152 -4.356 13.184 -3.109 1.00 0.54 N ATOM 963 CA GLU A 152 -3.651 13.047 -4.417 1.00 0.56 C ATOM 964 C GLU A 152 -2.221 12.516 -4.221 1.00 0.52 C ATOM 965 O GLU A 152 -1.632 11.964 -5.134 1.00 0.65 O ATOM 966 CB GLU A 152 -3.637 14.459 -5.000 1.00 0.60 C ATOM 967 CG GLU A 152 -4.750 14.588 -6.049 1.00 0.77 C ATOM 968 CD GLU A 152 -5.129 16.060 -6.232 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.670 16.635 -5.303 1.00 1.17 O ATOM 970 OE2 GLU A 152 -4.869 16.594 -7.298 1.00 1.40 O ATOM 0 H GLU A 152 -4.399 14.134 -2.739 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.146 12.335 -5.077 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.782 15.193 -4.207 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.668 14.667 -5.454 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.417 14.169 -6.998 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.623 14.015 -5.737 1.00 0.77 H new ATOM 977 N PHE A 153 -1.658 12.665 -3.041 1.00 0.46 N ATOM 978 CA PHE A 153 -0.269 12.154 -2.800 1.00 0.46 C ATOM 979 C PHE A 153 -0.225 10.621 -2.934 1.00 0.50 C ATOM 980 O PHE A 153 0.787 10.056 -3.307 1.00 0.64 O ATOM 981 CB PHE A 153 0.092 12.596 -1.375 1.00 0.49 C ATOM 982 CG PHE A 153 1.576 12.402 -1.142 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.503 12.824 -2.107 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.024 11.800 0.038 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.873 12.639 -1.890 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.395 11.615 0.254 1.00 0.73 C ATOM 987 CZ PHE A 153 4.319 12.035 -0.709 1.00 0.68 C ATOM 0 H PHE A 153 -2.099 13.116 -2.239 1.00 0.46 H new ATOM 0 HA PHE A 153 0.440 12.547 -3.529 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.175 13.643 -1.230 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.479 12.018 -0.649 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.159 13.292 -3.018 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.312 11.478 0.783 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.586 12.962 -2.634 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.740 11.148 1.165 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.376 11.893 -0.541 1.00 0.68 H new ATOM 997 N LEU A 154 -1.317 9.948 -2.648 1.00 0.53 N ATOM 998 CA LEU A 154 -1.346 8.455 -2.776 1.00 0.62 C ATOM 999 C LEU A 154 -1.171 8.053 -4.249 1.00 0.65 C ATOM 1000 O LEU A 154 -0.317 7.257 -4.587 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.733 8.036 -2.267 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.637 7.504 -0.832 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.661 6.328 -0.778 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -2.148 8.615 0.101 1.00 1.20 C ATOM 0 H LEU A 154 -2.190 10.370 -2.331 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.546 7.975 -2.213 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.413 8.888 -2.301 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -3.150 7.269 -2.919 1.00 0.75 H new ATOM 0 HG LEU A 154 -3.624 7.169 -0.511 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.597 5.955 0.244 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -2.014 5.532 -1.434 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.675 6.658 -1.106 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -2.082 8.232 1.119 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -1.165 8.956 -0.223 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.849 9.449 0.072 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.972 8.613 -5.123 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.862 8.283 -6.582 1.00 0.81 C ATOM 1018 C GLU A 155 -0.558 8.844 -7.174 1.00 0.76 C ATOM 1019 O GLU A 155 -0.121 8.432 -8.231 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.074 8.960 -7.229 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.069 7.892 -7.682 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.755 7.482 -9.120 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.108 8.228 -10.018 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -3.160 6.434 -9.299 1.00 2.57 O ATOM 0 H GLU A 155 -2.701 9.287 -4.889 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.844 7.207 -6.755 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.548 9.637 -6.519 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.757 9.562 -8.080 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.012 7.025 -7.024 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.087 8.276 -7.616 1.00 1.41 H new ATOM 1031 N PHE A 156 0.057 9.784 -6.501 1.00 0.66 N ATOM 1032 CA PHE A 156 1.327 10.388 -7.007 1.00 0.77 C ATOM 1033 C PHE A 156 2.533 9.474 -6.707 1.00 0.71 C ATOM 1034 O PHE A 156 3.534 9.518 -7.398 1.00 0.88 O ATOM 1035 CB PHE A 156 1.428 11.712 -6.242 1.00 0.84 C ATOM 1036 CG PHE A 156 2.822 12.282 -6.340 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.241 12.923 -7.512 1.00 1.49 C ATOM 1038 CD2 PHE A 156 3.694 12.176 -5.252 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.530 13.456 -7.595 1.00 1.72 C ATOM 1040 CE2 PHE A 156 4.984 12.709 -5.335 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.401 13.349 -6.506 1.00 1.53 C ATOM 0 H PHE A 156 -0.271 10.163 -5.612 1.00 0.66 H new ATOM 0 HA PHE A 156 1.329 10.527 -8.088 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.709 12.426 -6.645 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.168 11.553 -5.195 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.568 13.006 -8.352 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.371 11.682 -4.347 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.853 13.950 -8.499 1.00 1.72 H new ATOM 0 HE2 PHE A 156 5.658 12.626 -4.495 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.397 13.761 -6.570 1.00 1.53 H new ATOM 1051 N MET A 157 2.448 8.653 -5.683 1.00 0.61 N ATOM 1052 CA MET A 157 3.593 7.743 -5.339 1.00 0.69 C ATOM 1053 C MET A 157 3.930 6.815 -6.517 1.00 0.83 C ATOM 1054 O MET A 157 5.083 6.514 -6.760 1.00 1.17 O ATOM 1055 CB MET A 157 3.118 6.926 -4.134 1.00 0.84 C ATOM 1056 CG MET A 157 3.132 7.802 -2.879 1.00 0.92 C ATOM 1057 SD MET A 157 4.406 7.212 -1.737 1.00 1.56 S ATOM 1058 CE MET A 157 5.513 8.635 -1.892 1.00 0.90 C ATOM 0 H MET A 157 1.636 8.574 -5.071 1.00 0.61 H new ATOM 0 HA MET A 157 4.499 8.307 -5.118 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.112 6.547 -4.313 1.00 0.84 H new ATOM 0 HB3 MET A 157 3.764 6.060 -3.992 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.326 8.840 -3.150 1.00 0.92 H new ATOM 0 HG3 MET A 157 2.156 7.776 -2.395 1.00 0.92 H new ATOM 0 HE1 MET A 157 6.537 8.324 -1.686 1.00 0.90 H new ATOM 0 HE2 MET A 157 5.452 9.035 -2.904 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.218 9.405 -1.180 1.00 0.90 H new ATOM 1068 N LYS A 158 2.939 6.361 -7.251 1.00 0.86 N ATOM 1069 CA LYS A 158 3.217 5.454 -8.414 1.00 1.07 C ATOM 1070 C LYS A 158 3.705 6.269 -9.628 1.00 1.36 C ATOM 1071 O LYS A 158 3.096 6.266 -10.682 1.00 1.73 O ATOM 1072 CB LYS A 158 1.884 4.743 -8.715 1.00 1.28 C ATOM 1073 CG LYS A 158 0.797 5.768 -9.078 1.00 1.66 C ATOM 1074 CD LYS A 158 0.160 5.394 -10.424 1.00 2.24 C ATOM 1075 CE LYS A 158 0.141 6.617 -11.355 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.079 7.387 -10.975 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.954 6.578 -7.096 1.00 0.86 H new ATOM 0 HA LYS A 158 4.004 4.734 -8.191 1.00 1.07 H new ATOM 0 HB2 LYS A 158 2.018 4.040 -9.537 1.00 1.28 H new ATOM 0 HB3 LYS A 158 1.570 4.163 -7.847 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.035 5.795 -8.299 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.230 6.767 -9.135 1.00 1.66 H new ATOM 0 HD2 LYS A 158 0.721 4.582 -10.888 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.856 5.031 -10.267 1.00 2.24 H new ATOM 0 HE2 LYS A 158 1.041 7.220 -11.230 1.00 2.85 H new ATOM 0 HE3 LYS A 158 0.104 6.313 -12.401 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.720 7.447 -11.792 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.563 6.906 -10.190 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.806 8.346 -10.678 1.00 3.52 H new