USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=11 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 33 LYS NZ :NH3+ -148:sc= 1.1 (180deg=-1.17) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.295) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0.00453 (180deg=0.00371) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0113) USER MOD Single : A 19 LYS NZ :NH3+ 145:sc= 0.0862 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -160:sc= -3.61 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0.143 (180deg=0.142) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.128) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc=-0.00885 (180deg=-0.135) USER MOD Single : A 58 LYS NZ :NH3+ -154:sc= -0.0422 (180deg=-0.343) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= -0.0684 (180deg=-0.397) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.133 -1.453 6.589 1.00 0.00 N ATOM 94 CA LEU A 7 -6.402 -0.750 5.539 1.00 0.00 C ATOM 95 C LEU A 7 -5.044 -0.255 6.037 1.00 0.00 C ATOM 96 O LEU A 7 -4.079 -0.201 5.275 1.00 0.00 O ATOM 97 CB LEU A 7 -7.232 0.431 5.029 1.00 0.00 C ATOM 98 CG LEU A 7 -7.393 0.505 3.512 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.301 1.663 3.128 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.034 0.644 2.841 1.00 0.00 C ATOM 0 HA LEU A 7 -6.225 -1.452 4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.222 0.381 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.770 1.356 5.375 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.855 -0.420 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.404 1.700 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.282 1.522 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.868 2.598 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.165 0.695 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.547 1.554 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.415 -0.218 3.091 1.00 0.00 H new ATOM 112 N GLU A 8 -4.977 0.117 7.311 1.00 0.00 N ATOM 113 CA GLU A 8 -3.739 0.620 7.898 1.00 0.00 C ATOM 114 C GLU A 8 -2.826 -0.522 8.336 1.00 0.00 C ATOM 115 O GLU A 8 -1.601 -0.404 8.284 1.00 0.00 O ATOM 116 CB GLU A 8 -4.050 1.525 9.090 1.00 0.00 C ATOM 117 CG GLU A 8 -5.015 2.652 8.760 1.00 0.00 C ATOM 118 CD GLU A 8 -5.635 3.271 9.997 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.964 4.099 10.647 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.793 2.927 10.316 1.00 0.00 O ATOM 0 H GLU A 8 -5.765 0.080 7.957 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.217 1.196 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.470 0.921 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.120 1.952 9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.488 3.423 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.806 2.271 8.114 1.00 0.00 H new ATOM 127 N GLU A 9 -3.427 -1.624 8.768 1.00 0.00 N ATOM 128 CA GLU A 9 -2.668 -2.787 9.215 1.00 0.00 C ATOM 129 C GLU A 9 -2.098 -3.565 8.028 1.00 0.00 C ATOM 130 O GLU A 9 -1.172 -4.361 8.182 1.00 0.00 O ATOM 131 CB GLU A 9 -3.554 -3.703 10.067 1.00 0.00 C ATOM 132 CG GLU A 9 -4.628 -4.431 9.276 1.00 0.00 C ATOM 133 CD GLU A 9 -4.113 -5.700 8.624 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.366 -6.449 9.290 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.457 -5.944 7.448 1.00 0.00 O ATOM 0 H GLU A 9 -4.439 -1.737 8.819 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.834 -2.432 9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.924 -4.438 10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.031 -3.109 10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.457 -4.678 9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.022 -3.766 8.507 1.00 0.00 H new ATOM 142 N LYS A 10 -2.670 -3.340 6.850 1.00 0.00 N ATOM 143 CA LYS A 10 -2.240 -4.026 5.636 1.00 0.00 C ATOM 144 C LYS A 10 -0.995 -3.384 5.026 1.00 0.00 C ATOM 145 O LYS A 10 -0.055 -4.079 4.644 1.00 0.00 O ATOM 146 CB LYS A 10 -3.377 -4.021 4.613 1.00 0.00 C ATOM 147 CG LYS A 10 -3.939 -5.403 4.319 1.00 0.00 C ATOM 148 CD LYS A 10 -5.297 -5.318 3.640 1.00 0.00 C ATOM 149 CE LYS A 10 -6.169 -6.513 3.989 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.974 -6.273 5.220 1.00 0.00 N ATOM 0 H LYS A 10 -3.438 -2.683 6.710 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.984 -5.050 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.181 -3.382 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.016 -3.580 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.246 -5.951 3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.030 -5.965 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.799 -4.399 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.162 -5.267 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.837 -6.731 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.540 -7.392 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.592 -7.091 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.337 -6.140 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.556 -5.420 5.094 1.00 0.00 H new ATOM 164 N VAL A 11 -1.008 -2.061 4.912 1.00 0.00 N ATOM 165 CA VAL A 11 0.112 -1.329 4.319 1.00 0.00 C ATOM 166 C VAL A 11 1.332 -1.292 5.230 1.00 0.00 C ATOM 167 O VAL A 11 2.463 -1.222 4.755 1.00 0.00 O ATOM 168 CB VAL A 11 -0.285 0.115 3.954 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.813 0.786 3.139 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.609 0.134 3.201 1.00 0.00 C ATOM 0 H VAL A 11 -1.780 -1.471 5.221 1.00 0.00 H new ATOM 0 HA VAL A 11 0.374 -1.874 3.412 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.412 0.679 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.512 1.804 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.734 0.811 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.979 0.224 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.872 1.162 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.515 -0.448 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.390 -0.299 3.827 1.00 0.00 H new ATOM 180 N LYS A 12 1.104 -1.331 6.532 1.00 0.00 N ATOM 181 CA LYS A 12 2.199 -1.299 7.498 1.00 0.00 C ATOM 182 C LYS A 12 3.083 -2.527 7.337 1.00 0.00 C ATOM 183 O LYS A 12 4.303 -2.452 7.483 1.00 0.00 O ATOM 184 CB LYS A 12 1.657 -1.227 8.926 1.00 0.00 C ATOM 185 CG LYS A 12 0.681 -2.340 9.262 1.00 0.00 C ATOM 186 CD LYS A 12 0.457 -2.453 10.761 1.00 0.00 C ATOM 187 CE LYS A 12 -0.128 -1.174 11.335 1.00 0.00 C ATOM 188 NZ LYS A 12 -0.564 -1.348 12.748 1.00 0.00 N ATOM 0 H LYS A 12 0.174 -1.385 6.948 1.00 0.00 H new ATOM 0 HA LYS A 12 2.796 -0.407 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.492 -1.264 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.163 -0.266 9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.271 -2.153 8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.061 -3.287 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.215 -3.286 10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.403 -2.676 11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.615 -0.378 11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.978 -0.860 10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.957 -0.453 13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.291 -2.090 12.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.252 -1.623 13.332 1.00 0.00 H new ATOM 202 N ALA A 13 2.461 -3.652 7.007 1.00 0.00 N ATOM 203 CA ALA A 13 3.192 -4.896 6.793 1.00 0.00 C ATOM 204 C ALA A 13 3.776 -4.909 5.387 1.00 0.00 C ATOM 205 O ALA A 13 4.760 -5.592 5.106 1.00 0.00 O ATOM 206 CB ALA A 13 2.280 -6.095 7.005 1.00 0.00 C ATOM 0 H ALA A 13 1.452 -3.729 6.882 1.00 0.00 H new ATOM 0 HA ALA A 13 4.005 -4.960 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.843 -7.014 6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.894 -6.083 8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.448 -6.049 6.302 1.00 0.00 H new ATOM 212 N LEU A 14 3.149 -4.129 4.516 1.00 0.00 N ATOM 213 CA LEU A 14 3.560 -4.003 3.130 1.00 0.00 C ATOM 214 C LEU A 14 4.917 -3.308 3.022 1.00 0.00 C ATOM 215 O LEU A 14 5.647 -3.494 2.047 1.00 0.00 O ATOM 216 CB LEU A 14 2.491 -3.211 2.374 1.00 0.00 C ATOM 217 CG LEU A 14 2.400 -3.488 0.874 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.978 -3.259 0.386 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.374 -2.612 0.104 1.00 0.00 C ATOM 0 H LEU A 14 2.335 -3.563 4.757 1.00 0.00 H new ATOM 0 HA LEU A 14 3.665 -4.996 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.521 -3.424 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.683 -2.148 2.518 1.00 0.00 H new ATOM 0 HG LEU A 14 2.669 -4.529 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.924 -3.459 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.300 -3.928 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.690 -2.225 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.292 -2.826 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.139 -1.563 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.391 -2.818 0.438 1.00 0.00 H new ATOM 231 N GLU A 15 5.244 -2.502 4.029 1.00 0.00 N ATOM 232 CA GLU A 15 6.502 -1.768 4.054 1.00 0.00 C ATOM 233 C GLU A 15 7.666 -2.678 4.439 1.00 0.00 C ATOM 234 O GLU A 15 8.703 -2.686 3.777 1.00 0.00 O ATOM 235 CB GLU A 15 6.398 -0.591 5.031 1.00 0.00 C ATOM 236 CG GLU A 15 7.722 0.107 5.304 1.00 0.00 C ATOM 237 CD GLU A 15 7.605 1.187 6.361 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.051 2.263 6.053 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.068 0.956 7.499 1.00 0.00 O ATOM 0 H GLU A 15 4.650 -2.341 4.842 1.00 0.00 H new ATOM 0 HA GLU A 15 6.696 -1.386 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.691 0.137 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.988 -0.951 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.458 -0.631 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.093 0.548 4.379 1.00 0.00 H new ATOM 246 N GLU A 16 7.488 -3.444 5.510 1.00 0.00 N ATOM 247 CA GLU A 16 8.526 -4.356 5.979 1.00 0.00 C ATOM 248 C GLU A 16 9.014 -5.263 4.852 1.00 0.00 C ATOM 249 O GLU A 16 10.145 -5.747 4.878 1.00 0.00 O ATOM 250 CB GLU A 16 8.000 -5.205 7.139 1.00 0.00 C ATOM 251 CG GLU A 16 7.368 -4.385 8.253 1.00 0.00 C ATOM 252 CD GLU A 16 8.021 -4.630 9.600 1.00 0.00 C ATOM 253 OE1 GLU A 16 7.658 -5.623 10.263 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.895 -3.827 9.990 1.00 0.00 O ATOM 0 H GLU A 16 6.635 -3.452 6.070 1.00 0.00 H new ATOM 0 HA GLU A 16 9.368 -3.756 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.264 -5.912 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.821 -5.791 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.440 -3.326 8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.307 -4.625 8.319 1.00 0.00 H new ATOM 261 N LYS A 17 8.152 -5.491 3.865 1.00 0.00 N ATOM 262 CA LYS A 17 8.494 -6.342 2.732 1.00 0.00 C ATOM 263 C LYS A 17 9.422 -5.621 1.755 1.00 0.00 C ATOM 264 O LYS A 17 10.407 -6.192 1.287 1.00 0.00 O ATOM 265 CB LYS A 17 7.224 -6.792 2.008 1.00 0.00 C ATOM 266 CG LYS A 17 7.238 -8.258 1.606 1.00 0.00 C ATOM 267 CD LYS A 17 5.887 -8.702 1.072 1.00 0.00 C ATOM 268 CE LYS A 17 4.868 -8.855 2.189 1.00 0.00 C ATOM 269 NZ LYS A 17 5.083 -10.105 2.970 1.00 0.00 N ATOM 0 H LYS A 17 7.212 -5.098 3.828 1.00 0.00 H new ATOM 0 HA LYS A 17 9.019 -7.216 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.364 -6.609 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.089 -6.181 1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.002 -8.421 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.509 -8.870 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.525 -7.974 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.997 -9.650 0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.929 -7.995 2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.863 -8.860 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.310 -10.224 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.101 -10.919 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.989 -10.046 3.478 1.00 0.00 H new ATOM 283 N VAL A 18 9.098 -4.369 1.445 1.00 0.00 N ATOM 284 CA VAL A 18 9.904 -3.581 0.516 1.00 0.00 C ATOM 285 C VAL A 18 11.191 -3.093 1.170 1.00 0.00 C ATOM 286 O VAL A 18 12.280 -3.269 0.624 1.00 0.00 O ATOM 287 CB VAL A 18 9.131 -2.361 -0.022 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.735 -1.882 -1.333 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.654 -2.688 -0.197 1.00 0.00 C ATOM 0 H VAL A 18 8.286 -3.879 1.821 1.00 0.00 H new ATOM 0 HA VAL A 18 10.146 -4.245 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 18 9.214 -1.556 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.176 -1.020 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.775 -1.598 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.687 -2.684 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.130 -1.811 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.545 -3.511 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.229 -2.976 0.764 1.00 0.00 H new ATOM 299 N LYS A 19 11.062 -2.473 2.340 1.00 0.00 N ATOM 300 CA LYS A 19 12.219 -1.955 3.063 1.00 0.00 C ATOM 301 C LYS A 19 13.291 -3.030 3.236 1.00 0.00 C ATOM 302 O LYS A 19 14.483 -2.727 3.286 1.00 0.00 O ATOM 303 CB LYS A 19 11.794 -1.418 4.431 1.00 0.00 C ATOM 304 CG LYS A 19 11.104 -0.066 4.362 1.00 0.00 C ATOM 305 CD LYS A 19 11.648 0.894 5.409 1.00 0.00 C ATOM 306 CE LYS A 19 10.760 2.118 5.557 1.00 0.00 C ATOM 307 NZ LYS A 19 10.738 2.623 6.958 1.00 0.00 N ATOM 0 H LYS A 19 10.169 -2.317 2.807 1.00 0.00 H new ATOM 0 HA LYS A 19 12.643 -1.142 2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.123 -2.136 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.673 -1.336 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.240 0.362 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.032 -0.196 4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.726 0.382 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.655 1.205 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.115 2.906 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.746 1.870 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.671 3.661 6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.917 2.226 7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.611 2.335 7.444 1.00 0.00 H new ATOM 321 N ALA A 20 12.858 -4.283 3.324 1.00 0.00 N ATOM 322 CA ALA A 20 13.782 -5.401 3.486 1.00 0.00 C ATOM 323 C ALA A 20 14.185 -5.988 2.134 1.00 0.00 C ATOM 324 O ALA A 20 15.110 -6.797 2.049 1.00 0.00 O ATOM 325 CB ALA A 20 13.159 -6.474 4.364 1.00 0.00 C ATOM 0 H ALA A 20 11.874 -4.550 3.286 1.00 0.00 H new ATOM 0 HA ALA A 20 14.684 -5.026 3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.858 -7.303 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.931 -6.055 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.241 -6.835 3.901 1.00 0.00 H new ATOM 331 N LEU A 21 13.483 -5.578 1.081 1.00 0.00 N ATOM 332 CA LEU A 21 13.761 -6.061 -0.264 1.00 0.00 C ATOM 333 C LEU A 21 15.060 -5.468 -0.801 1.00 0.00 C ATOM 334 O LEU A 21 16.059 -6.170 -0.954 1.00 0.00 O ATOM 335 CB LEU A 21 12.597 -5.707 -1.190 1.00 0.00 C ATOM 336 CG LEU A 21 12.126 -6.837 -2.104 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.935 -6.388 -2.935 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.261 -7.304 -3.003 1.00 0.00 C ATOM 0 H LEU A 21 12.715 -4.909 1.136 1.00 0.00 H new ATOM 0 HA LEU A 21 13.876 -7.144 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.755 -5.380 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.891 -4.859 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 21 11.814 -7.676 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.613 -7.205 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.117 -6.103 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.221 -5.533 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.907 -8.109 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.604 -6.472 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.086 -7.666 -2.389 1.00 0.00 H new ATOM 371 N GLY A 25 14.639 -2.015 -9.760 1.00 0.00 N ATOM 372 CA GLY A 25 13.705 -1.847 -10.857 1.00 0.00 C ATOM 373 C GLY A 25 12.264 -1.763 -10.395 1.00 0.00 C ATOM 374 O GLY A 25 11.826 -0.729 -9.889 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.958 -0.941 -11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.811 -2.682 -11.550 1.00 0.00 H new ATOM 378 N ARG A 26 11.522 -2.853 -10.572 1.00 0.00 N ATOM 379 CA ARG A 26 10.118 -2.902 -10.173 1.00 0.00 C ATOM 380 C ARG A 26 9.937 -2.451 -8.726 1.00 0.00 C ATOM 381 O ARG A 26 8.880 -1.944 -8.351 1.00 0.00 O ATOM 382 CB ARG A 26 9.562 -4.319 -10.355 1.00 0.00 C ATOM 383 CG ARG A 26 10.038 -5.308 -9.300 1.00 0.00 C ATOM 384 CD ARG A 26 11.531 -5.564 -9.411 1.00 0.00 C ATOM 385 NE ARG A 26 11.922 -6.815 -8.761 1.00 0.00 N ATOM 386 CZ ARG A 26 12.527 -7.828 -9.384 1.00 0.00 C ATOM 387 NH1 ARG A 26 12.819 -7.753 -10.677 1.00 0.00 N ATOM 388 NH2 ARG A 26 12.842 -8.923 -8.706 1.00 0.00 N ATOM 0 H ARG A 26 11.870 -3.716 -10.990 1.00 0.00 H new ATOM 0 HA ARG A 26 9.565 -2.216 -10.814 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.473 -4.277 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.848 -4.687 -11.340 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.807 -4.922 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.497 -6.248 -9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.816 -5.597 -10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.076 -4.735 -8.959 1.00 0.00 H new ATOM 0 HE ARG A 26 11.719 -6.920 -7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.581 -6.914 -11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.282 -8.534 -11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.622 -8.989 -7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.305 -9.700 -9.178 1.00 0.00 H new ATOM 402 N ILE A 27 10.973 -2.645 -7.918 1.00 0.00 N ATOM 403 CA ILE A 27 10.929 -2.265 -6.513 1.00 0.00 C ATOM 404 C ILE A 27 10.794 -0.753 -6.355 1.00 0.00 C ATOM 405 O ILE A 27 10.222 -0.271 -5.379 1.00 0.00 O ATOM 406 CB ILE A 27 12.186 -2.741 -5.761 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.388 -4.244 -5.959 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.080 -2.409 -4.279 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.712 -4.753 -5.430 1.00 0.00 C ATOM 0 H ILE A 27 11.855 -3.064 -8.214 1.00 0.00 H new ATOM 0 HA ILE A 27 10.054 -2.751 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 27 13.051 -2.218 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.578 -4.779 -5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.318 -4.474 -7.022 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.977 -2.753 -3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.981 -1.331 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.206 -2.905 -3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.785 -5.826 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.528 -4.245 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.777 -4.555 -4.360 1.00 0.00 H new ATOM 421 N GLU A 28 11.331 -0.012 -7.319 1.00 0.00 N ATOM 422 CA GLU A 28 11.278 1.445 -7.285 1.00 0.00 C ATOM 423 C GLU A 28 9.837 1.948 -7.263 1.00 0.00 C ATOM 424 O GLU A 28 9.448 2.695 -6.368 1.00 0.00 O ATOM 425 CB GLU A 28 12.013 2.031 -8.492 1.00 0.00 C ATOM 426 CG GLU A 28 13.452 1.559 -8.616 1.00 0.00 C ATOM 427 CD GLU A 28 14.299 2.487 -9.462 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.033 3.709 -9.451 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.228 1.995 -10.135 1.00 0.00 O ATOM 0 H GLU A 28 11.808 -0.397 -8.134 1.00 0.00 H new ATOM 0 HA GLU A 28 11.769 1.774 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.473 1.765 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.001 3.119 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.891 1.478 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.467 0.561 -9.053 1.00 0.00 H new ATOM 436 N GLU A 29 9.052 1.538 -8.254 1.00 0.00 N ATOM 437 CA GLU A 29 7.654 1.954 -8.348 1.00 0.00 C ATOM 438 C GLU A 29 6.877 1.573 -7.091 1.00 0.00 C ATOM 439 O GLU A 29 5.996 2.309 -6.646 1.00 0.00 O ATOM 440 CB GLU A 29 6.997 1.324 -9.579 1.00 0.00 C ATOM 441 CG GLU A 29 5.523 1.669 -9.731 1.00 0.00 C ATOM 442 CD GLU A 29 5.133 1.931 -11.173 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.744 0.969 -11.867 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.215 3.099 -11.607 1.00 0.00 O ATOM 0 H GLU A 29 9.358 0.918 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 29 7.633 3.040 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.531 1.650 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.103 0.241 -9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.919 0.851 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.296 2.550 -9.131 1.00 0.00 H new ATOM 451 N LEU A 30 7.203 0.415 -6.530 1.00 0.00 N ATOM 452 CA LEU A 30 6.532 -0.074 -5.330 1.00 0.00 C ATOM 453 C LEU A 30 6.842 0.800 -4.115 1.00 0.00 C ATOM 454 O LEU A 30 6.103 0.788 -3.133 1.00 0.00 O ATOM 455 CB LEU A 30 6.952 -1.518 -5.043 1.00 0.00 C ATOM 456 CG LEU A 30 6.388 -2.565 -6.007 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.379 -3.702 -6.200 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.058 -3.098 -5.495 1.00 0.00 C ATOM 0 H LEU A 30 7.930 -0.205 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 30 5.458 -0.032 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.040 -1.574 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.642 -1.775 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 30 6.220 -2.088 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.961 -4.436 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.309 -3.308 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.579 -4.177 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.671 -3.841 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.202 -3.558 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.346 -2.277 -5.408 1.00 0.00 H new ATOM 470 N LYS A 31 7.949 1.535 -4.178 1.00 0.00 N ATOM 471 CA LYS A 31 8.366 2.393 -3.070 1.00 0.00 C ATOM 472 C LYS A 31 7.582 3.705 -3.016 1.00 0.00 C ATOM 473 O LYS A 31 6.945 4.011 -2.011 1.00 0.00 O ATOM 474 CB LYS A 31 9.862 2.692 -3.179 1.00 0.00 C ATOM 475 CG LYS A 31 10.398 3.554 -2.048 1.00 0.00 C ATOM 476 CD LYS A 31 11.770 3.083 -1.591 1.00 0.00 C ATOM 477 CE LYS A 31 12.685 4.254 -1.273 1.00 0.00 C ATOM 478 NZ LYS A 31 14.101 3.824 -1.111 1.00 0.00 N ATOM 0 H LYS A 31 8.574 1.554 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 31 8.157 1.851 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.411 1.751 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.055 3.192 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.459 4.591 -2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.704 3.527 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.664 2.453 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.222 2.468 -2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.619 4.993 -2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.347 4.741 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.693 4.652 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.168 3.138 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.433 3.382 -1.992 1.00 0.00 H new ATOM 492 N LYS A 32 7.652 4.487 -4.088 1.00 0.00 N ATOM 493 CA LYS A 32 6.970 5.779 -4.150 1.00 0.00 C ATOM 494 C LYS A 32 5.493 5.661 -3.788 1.00 0.00 C ATOM 495 O LYS A 32 5.021 6.302 -2.851 1.00 0.00 O ATOM 496 CB LYS A 32 7.113 6.382 -5.549 1.00 0.00 C ATOM 497 CG LYS A 32 6.487 7.760 -5.683 1.00 0.00 C ATOM 498 CD LYS A 32 6.640 8.304 -7.094 1.00 0.00 C ATOM 499 CE LYS A 32 8.088 8.649 -7.403 1.00 0.00 C ATOM 500 NZ LYS A 32 8.201 9.884 -8.229 1.00 0.00 N ATOM 0 H LYS A 32 8.176 4.249 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 32 7.442 6.434 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.171 6.447 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.653 5.711 -6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.429 7.708 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.955 8.444 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.280 7.566 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.020 9.193 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.636 8.785 -6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.555 7.816 -7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.204 10.085 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.700 9.746 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.778 10.684 -7.717 1.00 0.00 H new ATOM 514 N LYS A 33 4.770 4.849 -4.543 1.00 0.00 N ATOM 515 CA LYS A 33 3.341 4.653 -4.313 1.00 0.00 C ATOM 516 C LYS A 33 3.064 4.100 -2.914 1.00 0.00 C ATOM 517 O LYS A 33 1.970 4.268 -2.380 1.00 0.00 O ATOM 518 CB LYS A 33 2.759 3.714 -5.372 1.00 0.00 C ATOM 519 CG LYS A 33 1.625 4.331 -6.175 1.00 0.00 C ATOM 520 CD LYS A 33 0.268 3.959 -5.599 1.00 0.00 C ATOM 521 CE LYS A 33 0.047 2.454 -5.615 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.351 2.103 -5.990 1.00 0.00 N ATOM 0 H LYS A 33 5.148 4.312 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 33 2.858 5.627 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.554 3.412 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.397 2.809 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.733 5.416 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.686 3.996 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.193 4.328 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.518 4.449 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.739 1.993 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.273 2.043 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.632 1.229 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.989 2.875 -5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.409 1.960 -7.018 1.00 0.00 H new ATOM 536 N CYS A 34 4.050 3.418 -2.341 1.00 0.00 N ATOM 537 CA CYS A 34 3.905 2.815 -1.017 1.00 0.00 C ATOM 538 C CYS A 34 3.624 3.850 0.074 1.00 0.00 C ATOM 539 O CYS A 34 2.625 3.753 0.787 1.00 0.00 O ATOM 540 CB CYS A 34 5.176 2.041 -0.664 1.00 0.00 C ATOM 541 SG CYS A 34 4.893 0.286 -0.269 1.00 0.00 S ATOM 0 H CYS A 34 4.962 3.268 -2.773 1.00 0.00 H new ATOM 0 HA CYS A 34 3.047 2.145 -1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.872 2.106 -1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.656 2.521 0.189 1.00 0.00 H new ATOM 0 HG CYS A 34 5.904 -0.175 0.406 1.00 0.00 H new ATOM 546 N GLU A 35 4.521 4.819 0.221 1.00 0.00 N ATOM 547 CA GLU A 35 4.376 5.846 1.250 1.00 0.00 C ATOM 548 C GLU A 35 3.185 6.759 0.979 1.00 0.00 C ATOM 549 O GLU A 35 2.311 6.912 1.829 1.00 0.00 O ATOM 550 CB GLU A 35 5.656 6.674 1.371 1.00 0.00 C ATOM 551 CG GLU A 35 6.211 7.126 0.034 1.00 0.00 C ATOM 552 CD GLU A 35 6.564 8.600 0.016 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.665 9.423 -0.258 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.741 8.932 0.274 1.00 0.00 O ATOM 0 H GLU A 35 5.355 4.916 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 35 4.194 5.332 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.456 7.550 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.413 6.085 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.100 6.541 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.478 6.922 -0.747 1.00 0.00 H new ATOM 561 N GLU A 36 3.154 7.368 -0.202 1.00 0.00 N ATOM 562 CA GLU A 36 2.068 8.269 -0.572 1.00 0.00 C ATOM 563 C GLU A 36 0.707 7.645 -0.272 1.00 0.00 C ATOM 564 O GLU A 36 -0.272 8.347 -0.019 1.00 0.00 O ATOM 565 CB GLU A 36 2.160 8.631 -2.055 1.00 0.00 C ATOM 566 CG GLU A 36 1.662 10.031 -2.372 1.00 0.00 C ATOM 567 CD GLU A 36 2.792 11.005 -2.644 1.00 0.00 C ATOM 568 OE1 GLU A 36 3.505 10.820 -3.651 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.964 11.953 -1.848 1.00 0.00 O ATOM 0 H GLU A 36 3.869 7.254 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 36 2.168 9.176 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.197 8.542 -2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.582 7.910 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.005 9.991 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.064 10.398 -1.537 1.00 0.00 H new ATOM 576 N LEU A 37 0.659 6.320 -0.311 1.00 0.00 N ATOM 577 CA LEU A 37 -0.571 5.582 -0.055 1.00 0.00 C ATOM 578 C LEU A 37 -0.970 5.660 1.418 1.00 0.00 C ATOM 579 O LEU A 37 -2.147 5.812 1.744 1.00 0.00 O ATOM 580 CB LEU A 37 -0.389 4.121 -0.481 1.00 0.00 C ATOM 581 CG LEU A 37 -1.458 3.145 0.015 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.853 3.676 -0.284 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.259 1.776 -0.619 1.00 0.00 C ATOM 0 H LEU A 37 1.465 5.730 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.373 6.034 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.364 4.080 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.583 3.777 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.358 3.045 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.598 2.966 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.992 4.634 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.969 3.808 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.027 1.092 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.333 1.863 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.275 1.391 -0.352 1.00 0.00 H new ATOM 595 N LYS A 38 0.014 5.546 2.304 1.00 0.00 N ATOM 596 CA LYS A 38 -0.240 5.595 3.742 1.00 0.00 C ATOM 597 C LYS A 38 -0.853 6.930 4.158 1.00 0.00 C ATOM 598 O LYS A 38 -1.944 6.971 4.728 1.00 0.00 O ATOM 599 CB LYS A 38 1.058 5.356 4.516 1.00 0.00 C ATOM 600 CG LYS A 38 1.310 3.893 4.847 1.00 0.00 C ATOM 601 CD LYS A 38 1.693 3.703 6.307 1.00 0.00 C ATOM 602 CE LYS A 38 2.969 2.889 6.447 1.00 0.00 C ATOM 603 NZ LYS A 38 4.165 3.645 5.985 1.00 0.00 N ATOM 0 H LYS A 38 0.995 5.419 2.053 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.955 4.807 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.895 5.737 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.029 5.930 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.415 3.311 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.105 3.508 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.828 4.676 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.881 3.203 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.103 2.601 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.877 1.968 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.018 3.067 6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.065 3.869 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.249 4.528 6.529 1.00 0.00 H new ATOM 617 N LYS A 39 -0.146 8.020 3.875 1.00 0.00 N ATOM 618 CA LYS A 39 -0.617 9.356 4.224 1.00 0.00 C ATOM 619 C LYS A 39 -2.032 9.597 3.704 1.00 0.00 C ATOM 620 O LYS A 39 -2.789 10.381 4.276 1.00 0.00 O ATOM 621 CB LYS A 39 0.334 10.417 3.662 1.00 0.00 C ATOM 622 CG LYS A 39 0.354 10.477 2.145 1.00 0.00 C ATOM 623 CD LYS A 39 1.606 11.168 1.629 1.00 0.00 C ATOM 624 CE LYS A 39 1.703 12.598 2.133 1.00 0.00 C ATOM 625 NZ LYS A 39 2.362 13.494 1.143 1.00 0.00 N ATOM 0 H LYS A 39 0.758 8.004 3.403 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.636 9.431 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.046 11.393 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.343 10.215 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.302 9.467 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.529 11.009 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.487 10.610 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.601 11.165 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.704 12.974 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.263 12.616 3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.408 14.460 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.325 13.151 0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.814 13.498 0.259 1.00 0.00 H new ATOM 639 N LYS A 40 -2.382 8.919 2.615 1.00 0.00 N ATOM 640 CA LYS A 40 -3.706 9.062 2.021 1.00 0.00 C ATOM 641 C LYS A 40 -4.774 8.414 2.899 1.00 0.00 C ATOM 642 O LYS A 40 -5.940 8.805 2.859 1.00 0.00 O ATOM 643 CB LYS A 40 -3.733 8.441 0.623 1.00 0.00 C ATOM 644 CG LYS A 40 -4.689 9.136 -0.333 1.00 0.00 C ATOM 645 CD LYS A 40 -4.515 8.636 -1.756 1.00 0.00 C ATOM 646 CE LYS A 40 -3.620 9.560 -2.567 1.00 0.00 C ATOM 647 NZ LYS A 40 -2.188 9.157 -2.489 1.00 0.00 N ATOM 0 H LYS A 40 -1.768 8.267 2.127 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.925 10.127 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.728 8.469 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.015 7.391 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.716 8.966 -0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.519 10.212 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.086 7.634 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.490 8.558 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.942 9.555 -3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.730 10.582 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.639 9.689 -3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.821 9.362 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.103 8.138 -2.680 1.00 0.00 H new ATOM 661 N ILE A 41 -4.373 7.427 3.693 1.00 0.00 N ATOM 662 CA ILE A 41 -5.304 6.739 4.580 1.00 0.00 C ATOM 663 C ILE A 41 -5.665 7.620 5.768 1.00 0.00 C ATOM 664 O ILE A 41 -6.780 7.555 6.287 1.00 0.00 O ATOM 665 CB ILE A 41 -4.720 5.409 5.098 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.058 4.635 3.955 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.814 4.574 5.751 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.578 3.255 4.350 1.00 0.00 C ATOM 0 H ILE A 41 -3.413 7.086 3.741 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.199 6.523 3.997 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.959 5.628 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.768 4.541 3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.211 5.211 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.390 3.637 6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.242 5.126 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.594 4.361 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.121 2.768 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.843 3.341 5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.424 2.661 4.696 1.00 0.00 H new ATOM 680 N GLU A 42 -4.718 8.453 6.188 1.00 0.00 N ATOM 681 CA GLU A 42 -4.940 9.356 7.310 1.00 0.00 C ATOM 682 C GLU A 42 -5.965 10.421 6.938 1.00 0.00 C ATOM 683 O GLU A 42 -6.746 10.868 7.779 1.00 0.00 O ATOM 684 CB GLU A 42 -3.626 10.018 7.730 1.00 0.00 C ATOM 685 CG GLU A 42 -2.663 9.070 8.429 1.00 0.00 C ATOM 686 CD GLU A 42 -2.520 9.370 9.907 1.00 0.00 C ATOM 687 OE1 GLU A 42 -3.555 9.441 10.603 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.371 9.535 10.370 1.00 0.00 O ATOM 0 H GLU A 42 -3.791 8.521 5.768 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.324 8.776 8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.139 10.432 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.846 10.854 8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.012 8.045 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.685 9.135 7.953 1.00 0.00 H new ATOM 695 N GLU A 43 -5.958 10.819 5.670 1.00 0.00 N ATOM 696 CA GLU A 43 -6.890 11.825 5.177 1.00 0.00 C ATOM 697 C GLU A 43 -8.289 11.236 5.023 1.00 0.00 C ATOM 698 O GLU A 43 -9.292 11.941 5.132 1.00 0.00 O ATOM 699 CB GLU A 43 -6.400 12.392 3.838 1.00 0.00 C ATOM 700 CG GLU A 43 -6.543 11.438 2.661 1.00 0.00 C ATOM 701 CD GLU A 43 -7.086 12.122 1.421 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.340 12.908 0.800 1.00 0.00 O ATOM 703 OE2 GLU A 43 -8.259 11.870 1.070 1.00 0.00 O ATOM 0 H GLU A 43 -5.316 10.459 4.964 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.938 12.635 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.954 13.305 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.351 12.672 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.572 10.999 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.206 10.619 2.940 1.00 0.00 H new ATOM 710 N LEU A 44 -8.338 9.934 4.766 1.00 0.00 N ATOM 711 CA LEU A 44 -9.600 9.227 4.589 1.00 0.00 C ATOM 712 C LEU A 44 -10.482 9.358 5.828 1.00 0.00 C ATOM 713 O LEU A 44 -10.055 9.890 6.852 1.00 0.00 O ATOM 714 CB LEU A 44 -9.332 7.750 4.289 1.00 0.00 C ATOM 715 CG LEU A 44 -9.303 7.386 2.803 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.751 5.983 2.609 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.693 7.503 2.201 1.00 0.00 C ATOM 0 H LEU A 44 -7.511 9.343 4.675 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.128 9.676 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.377 7.472 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.099 7.150 4.779 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.646 8.086 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.738 5.741 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.737 5.933 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.382 5.268 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.655 7.241 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.372 6.825 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.051 8.527 2.308 1.00 0.00 H new ATOM 757 N GLU A 49 -14.418 7.855 -0.284 1.00 0.00 N ATOM 758 CA GLU A 49 -13.121 7.778 -0.947 1.00 0.00 C ATOM 759 C GLU A 49 -12.349 6.539 -0.500 1.00 0.00 C ATOM 760 O GLU A 49 -11.466 6.059 -1.209 1.00 0.00 O ATOM 761 CB GLU A 49 -12.301 9.035 -0.653 1.00 0.00 C ATOM 762 CG GLU A 49 -11.303 9.381 -1.746 1.00 0.00 C ATOM 763 CD GLU A 49 -10.180 10.269 -1.249 1.00 0.00 C ATOM 764 OE1 GLU A 49 -10.384 11.500 -1.177 1.00 0.00 O ATOM 765 OE2 GLU A 49 -9.095 9.735 -0.935 1.00 0.00 O ATOM 0 HA GLU A 49 -13.295 7.706 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.979 9.876 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.765 8.898 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.882 8.462 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.823 9.882 -2.563 1.00 0.00 H new ATOM 772 N VAL A 50 -12.687 6.027 0.682 1.00 0.00 N ATOM 773 CA VAL A 50 -12.026 4.845 1.226 1.00 0.00 C ATOM 774 C VAL A 50 -11.966 3.711 0.204 1.00 0.00 C ATOM 775 O VAL A 50 -11.077 2.862 0.256 1.00 0.00 O ATOM 776 CB VAL A 50 -12.742 4.342 2.494 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.134 3.820 2.160 1.00 0.00 C ATOM 778 CG2 VAL A 50 -11.914 3.271 3.189 1.00 0.00 C ATOM 0 H VAL A 50 -13.416 6.414 1.281 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.009 5.145 1.479 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.853 5.183 3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.620 3.470 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.726 4.621 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.053 2.995 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.437 2.929 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.764 2.430 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.946 3.686 3.472 1.00 0.00 H new ATOM 788 N LYS A 51 -12.922 3.701 -0.716 1.00 0.00 N ATOM 789 CA LYS A 51 -12.985 2.670 -1.746 1.00 0.00 C ATOM 790 C LYS A 51 -11.880 2.852 -2.786 1.00 0.00 C ATOM 791 O LYS A 51 -11.463 1.891 -3.432 1.00 0.00 O ATOM 792 CB LYS A 51 -14.355 2.690 -2.430 1.00 0.00 C ATOM 793 CG LYS A 51 -15.073 1.351 -2.392 1.00 0.00 C ATOM 794 CD LYS A 51 -15.979 1.172 -3.599 1.00 0.00 C ATOM 795 CE LYS A 51 -16.893 -0.033 -3.436 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.321 -1.254 -4.066 1.00 0.00 N ATOM 0 H LYS A 51 -13.666 4.396 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.837 1.705 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.981 3.442 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.229 2.996 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.340 0.545 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.663 1.279 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.581 2.070 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.372 1.051 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.064 -0.218 -2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.863 0.185 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.974 -2.052 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.182 -1.087 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.407 -1.477 -3.623 1.00 0.00 H new ATOM 810 N LYS A 52 -11.416 4.087 -2.948 1.00 0.00 N ATOM 811 CA LYS A 52 -10.366 4.385 -3.918 1.00 0.00 C ATOM 812 C LYS A 52 -8.993 3.976 -3.389 1.00 0.00 C ATOM 813 O LYS A 52 -8.288 3.186 -4.016 1.00 0.00 O ATOM 814 CB LYS A 52 -10.374 5.878 -4.261 1.00 0.00 C ATOM 815 CG LYS A 52 -9.188 6.323 -5.101 1.00 0.00 C ATOM 816 CD LYS A 52 -9.277 7.799 -5.457 1.00 0.00 C ATOM 817 CE LYS A 52 -10.345 8.053 -6.509 1.00 0.00 C ATOM 818 NZ LYS A 52 -9.945 7.528 -7.844 1.00 0.00 N ATOM 0 H LYS A 52 -11.749 4.896 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.567 3.808 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.294 6.113 -4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.388 6.453 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.264 6.135 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.145 5.730 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.502 8.378 -4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.311 8.145 -5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.279 7.584 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.535 9.124 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.574 7.920 -8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.964 7.806 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.018 6.491 -7.845 1.00 0.00 H new ATOM 832 N VAL A 53 -8.618 4.521 -2.237 1.00 0.00 N ATOM 833 CA VAL A 53 -7.327 4.216 -1.627 1.00 0.00 C ATOM 834 C VAL A 53 -7.169 2.718 -1.382 1.00 0.00 C ATOM 835 O VAL A 53 -6.052 2.205 -1.333 1.00 0.00 O ATOM 836 CB VAL A 53 -7.146 4.965 -0.294 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.731 4.782 0.235 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.475 6.443 -0.460 1.00 0.00 C ATOM 0 H VAL A 53 -9.190 5.177 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.562 4.546 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.838 4.543 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.623 5.319 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.537 3.722 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.018 5.174 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.341 6.955 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.811 6.882 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.509 6.551 -0.788 1.00 0.00 H new ATOM 848 N GLU A 54 -8.291 2.022 -1.228 1.00 0.00 N ATOM 849 CA GLU A 54 -8.270 0.583 -0.989 1.00 0.00 C ATOM 850 C GLU A 54 -7.737 -0.158 -2.212 1.00 0.00 C ATOM 851 O GLU A 54 -7.005 -1.140 -2.086 1.00 0.00 O ATOM 852 CB GLU A 54 -9.674 0.082 -0.640 1.00 0.00 C ATOM 853 CG GLU A 54 -9.790 -0.459 0.776 1.00 0.00 C ATOM 854 CD GLU A 54 -10.916 -1.464 0.926 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.251 -2.134 -0.074 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.464 -1.580 2.042 1.00 0.00 O ATOM 0 H GLU A 54 -9.225 2.430 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.606 0.385 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.385 0.898 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.957 -0.701 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.848 -0.929 1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.953 0.369 1.465 1.00 0.00 H new ATOM 863 N GLU A 55 -8.107 0.323 -3.392 1.00 0.00 N ATOM 864 CA GLU A 55 -7.667 -0.285 -4.643 1.00 0.00 C ATOM 865 C GLU A 55 -6.188 -0.003 -4.894 1.00 0.00 C ATOM 866 O GLU A 55 -5.503 -0.777 -5.561 1.00 0.00 O ATOM 867 CB GLU A 55 -8.505 0.241 -5.809 1.00 0.00 C ATOM 868 CG GLU A 55 -8.140 -0.377 -7.149 1.00 0.00 C ATOM 869 CD GLU A 55 -9.156 -1.402 -7.615 1.00 0.00 C ATOM 870 OE1 GLU A 55 -9.920 -1.908 -6.766 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.187 -1.698 -8.828 1.00 0.00 O ATOM 0 H GLU A 55 -8.713 1.135 -3.510 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.803 -1.364 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.558 0.048 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.385 1.323 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.055 0.411 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.161 -0.850 -7.072 1.00 0.00 H new ATOM 878 N GLU A 56 -5.709 1.115 -4.361 1.00 0.00 N ATOM 879 CA GLU A 56 -4.317 1.515 -4.524 1.00 0.00 C ATOM 880 C GLU A 56 -3.383 0.633 -3.700 1.00 0.00 C ATOM 881 O GLU A 56 -2.222 0.438 -4.058 1.00 0.00 O ATOM 882 CB GLU A 56 -4.144 2.979 -4.114 1.00 0.00 C ATOM 883 CG GLU A 56 -4.512 3.965 -5.211 1.00 0.00 C ATOM 884 CD GLU A 56 -3.562 5.146 -5.275 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.525 5.930 -4.304 1.00 0.00 O ATOM 886 OE2 GLU A 56 -2.857 5.285 -6.296 1.00 0.00 O ATOM 0 H GLU A 56 -6.269 1.764 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.054 1.396 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.760 3.177 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.108 3.145 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.512 3.451 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.526 4.328 -5.044 1.00 0.00 H new ATOM 893 N VAL A 57 -3.895 0.106 -2.592 1.00 0.00 N ATOM 894 CA VAL A 57 -3.102 -0.750 -1.716 1.00 0.00 C ATOM 895 C VAL A 57 -3.086 -2.187 -2.217 1.00 0.00 C ATOM 896 O VAL A 57 -2.145 -2.935 -1.956 1.00 0.00 O ATOM 897 CB VAL A 57 -3.647 -0.734 -0.274 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.677 -1.431 0.670 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.922 0.692 0.183 1.00 0.00 C ATOM 0 H VAL A 57 -4.854 0.256 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.087 -0.353 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.590 -1.280 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.078 -1.410 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.542 -2.465 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.716 -0.917 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.306 0.680 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.998 1.269 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.659 1.150 -0.477 1.00 0.00 H new ATOM 909 N LYS A 58 -4.139 -2.568 -2.928 1.00 0.00 N ATOM 910 CA LYS A 58 -4.261 -3.916 -3.464 1.00 0.00 C ATOM 911 C LYS A 58 -3.361 -4.119 -4.682 1.00 0.00 C ATOM 912 O LYS A 58 -2.932 -5.236 -4.968 1.00 0.00 O ATOM 913 CB LYS A 58 -5.716 -4.195 -3.839 1.00 0.00 C ATOM 914 CG LYS A 58 -6.449 -5.062 -2.827 1.00 0.00 C ATOM 915 CD LYS A 58 -6.685 -6.467 -3.360 1.00 0.00 C ATOM 916 CE LYS A 58 -8.128 -6.661 -3.800 1.00 0.00 C ATOM 917 NZ LYS A 58 -9.071 -6.598 -2.650 1.00 0.00 N ATOM 0 H LYS A 58 -4.926 -1.957 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.941 -4.615 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.244 -3.247 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.744 -4.684 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.870 -5.115 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.405 -4.602 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.018 -6.655 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.437 -7.196 -2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.392 -5.894 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.229 -7.624 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.928 -7.144 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.616 -6.999 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.329 -5.607 -2.467 1.00 0.00 H new ATOM 931 N LYS A 59 -3.101 -3.038 -5.409 1.00 0.00 N ATOM 932 CA LYS A 59 -2.272 -3.103 -6.610 1.00 0.00 C ATOM 933 C LYS A 59 -0.787 -3.205 -6.273 1.00 0.00 C ATOM 934 O LYS A 59 -0.044 -3.921 -6.943 1.00 0.00 O ATOM 935 CB LYS A 59 -2.522 -1.874 -7.489 1.00 0.00 C ATOM 936 CG LYS A 59 -1.661 -1.834 -8.744 1.00 0.00 C ATOM 937 CD LYS A 59 -0.576 -0.774 -8.644 1.00 0.00 C ATOM 938 CE LYS A 59 -1.026 0.542 -9.257 1.00 0.00 C ATOM 939 NZ LYS A 59 0.053 1.569 -9.225 1.00 0.00 N ATOM 0 H LYS A 59 -3.452 -2.106 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.552 -4.006 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.573 -1.853 -7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.335 -0.975 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.203 -2.810 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.290 -1.631 -9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.313 -0.618 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.324 -1.124 -9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.337 0.374 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.897 0.914 -8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.371 2.516 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.666 1.402 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.618 1.506 -10.096 1.00 0.00 H new ATOM 953 N LEU A 60 -0.353 -2.481 -5.248 1.00 0.00 N ATOM 954 CA LEU A 60 1.053 -2.497 -4.854 1.00 0.00 C ATOM 955 C LEU A 60 1.403 -3.749 -4.062 1.00 0.00 C ATOM 956 O LEU A 60 2.557 -4.167 -4.035 1.00 0.00 O ATOM 957 CB LEU A 60 1.404 -1.262 -4.033 1.00 0.00 C ATOM 958 CG LEU A 60 2.893 -0.909 -4.040 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.101 0.551 -4.389 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.529 -1.237 -2.698 1.00 0.00 C ATOM 0 H LEU A 60 -0.948 -1.880 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 60 1.639 -2.496 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.838 -0.412 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.084 -1.421 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 60 3.380 -1.512 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.167 0.777 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.689 0.751 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.596 1.177 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.588 -0.979 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.035 -0.666 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.421 -2.302 -2.495 1.00 0.00 H new ATOM 972 N GLU A 61 0.410 -4.344 -3.416 1.00 0.00 N ATOM 973 CA GLU A 61 0.630 -5.547 -2.630 1.00 0.00 C ATOM 974 C GLU A 61 0.921 -6.729 -3.547 1.00 0.00 C ATOM 975 O GLU A 61 1.942 -7.404 -3.407 1.00 0.00 O ATOM 976 CB GLU A 61 -0.593 -5.837 -1.763 1.00 0.00 C ATOM 977 CG GLU A 61 -0.249 -6.242 -0.340 1.00 0.00 C ATOM 978 CD GLU A 61 -1.149 -7.341 0.189 1.00 0.00 C ATOM 979 OE1 GLU A 61 -0.953 -8.510 -0.205 1.00 0.00 O ATOM 980 OE2 GLU A 61 -2.051 -7.032 0.996 1.00 0.00 O ATOM 0 H GLU A 61 -0.555 -4.013 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 61 1.491 -5.391 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.227 -4.951 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.176 -6.632 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.787 -6.577 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.326 -5.371 0.310 1.00 0.00 H new ATOM 987 N GLU A 62 0.020 -6.963 -4.494 1.00 0.00 N ATOM 988 CA GLU A 62 0.173 -8.051 -5.451 1.00 0.00 C ATOM 989 C GLU A 62 1.402 -7.826 -6.330 1.00 0.00 C ATOM 990 O GLU A 62 1.998 -8.775 -6.839 1.00 0.00 O ATOM 991 CB GLU A 62 -1.080 -8.164 -6.322 1.00 0.00 C ATOM 992 CG GLU A 62 -1.470 -9.596 -6.641 1.00 0.00 C ATOM 993 CD GLU A 62 -2.630 -9.682 -7.613 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.491 -9.181 -8.749 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.678 -10.249 -7.240 1.00 0.00 O ATOM 0 H GLU A 62 -0.828 -6.410 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 62 0.308 -8.981 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.911 -7.674 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.914 -7.625 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.610 -10.118 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.736 -10.111 -5.718 1.00 0.00 H new ATOM 1002 N GLU A 63 1.770 -6.560 -6.503 1.00 0.00 N ATOM 1003 CA GLU A 63 2.922 -6.196 -7.319 1.00 0.00 C ATOM 1004 C GLU A 63 4.198 -6.837 -6.779 1.00 0.00 C ATOM 1005 O GLU A 63 4.881 -7.577 -7.487 1.00 0.00 O ATOM 1006 CB GLU A 63 3.073 -4.671 -7.357 1.00 0.00 C ATOM 1007 CG GLU A 63 2.441 -4.031 -8.583 1.00 0.00 C ATOM 1008 CD GLU A 63 3.310 -4.157 -9.819 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.491 -3.756 -9.758 1.00 0.00 O ATOM 1010 OE2 GLU A 63 2.808 -4.657 -10.848 1.00 0.00 O ATOM 0 H GLU A 63 1.284 -5.766 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 63 2.758 -6.566 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.621 -4.246 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.133 -4.418 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.474 -4.497 -8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.253 -2.976 -8.382 1.00 0.00 H new ATOM 1017 N ILE A 64 4.509 -6.548 -5.520 1.00 0.00 N ATOM 1018 CA ILE A 64 5.696 -7.090 -4.872 1.00 0.00 C ATOM 1019 C ILE A 64 5.706 -8.616 -4.923 1.00 0.00 C ATOM 1020 O ILE A 64 6.765 -9.241 -4.872 1.00 0.00 O ATOM 1021 CB ILE A 64 5.785 -6.636 -3.400 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.616 -5.118 -3.295 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.111 -7.071 -2.791 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.716 -4.593 -1.878 1.00 0.00 C ATOM 0 H ILE A 64 3.950 -5.937 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 64 6.558 -6.707 -5.418 1.00 0.00 H new ATOM 0 HB ILE A 64 4.977 -7.109 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.376 -4.633 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.647 -4.839 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.159 -6.744 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.192 -8.157 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.933 -6.624 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.587 -3.511 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.939 -5.050 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.695 -4.840 -1.467 1.00 0.00 H new ATOM 1036 N LYS A 65 4.520 -9.209 -5.021 1.00 0.00 N ATOM 1037 CA LYS A 65 4.395 -10.661 -5.079 1.00 0.00 C ATOM 1038 C LYS A 65 5.161 -11.229 -6.271 1.00 0.00 C ATOM 1039 O LYS A 65 5.617 -12.372 -6.240 1.00 0.00 O ATOM 1040 CB LYS A 65 2.920 -11.063 -5.162 1.00 0.00 C ATOM 1041 CG LYS A 65 2.479 -11.993 -4.043 1.00 0.00 C ATOM 1042 CD LYS A 65 2.333 -11.247 -2.726 1.00 0.00 C ATOM 1043 CE LYS A 65 2.402 -12.194 -1.539 1.00 0.00 C ATOM 1044 NZ LYS A 65 1.049 -12.535 -1.020 1.00 0.00 N ATOM 0 H LYS A 65 3.633 -8.707 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 65 4.826 -11.075 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.305 -10.163 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.738 -11.549 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.529 -12.457 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.206 -12.797 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.120 -10.498 -2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.383 -10.713 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.919 -13.108 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.991 -11.737 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.140 -13.183 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.565 -11.666 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.495 -12.995 -1.771 1.00 0.00 H new ATOM 1058 N LYS A 66 5.297 -10.424 -7.321 1.00 0.00 N ATOM 1059 CA LYS A 66 6.005 -10.848 -8.522 1.00 0.00 C ATOM 1060 C LYS A 66 7.508 -10.927 -8.272 1.00 0.00 C ATOM 1061 O LYS A 66 8.185 -11.820 -8.783 1.00 0.00 O ATOM 1062 CB LYS A 66 5.718 -9.883 -9.675 1.00 0.00 C ATOM 1063 CG LYS A 66 4.244 -9.794 -10.040 1.00 0.00 C ATOM 1064 CD LYS A 66 3.919 -10.638 -11.263 1.00 0.00 C ATOM 1065 CE LYS A 66 3.563 -9.772 -12.462 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.334 -8.966 -12.220 1.00 0.00 N ATOM 0 H LYS A 66 4.926 -9.475 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 66 5.648 -11.842 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.078 -8.890 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.283 -10.199 -10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.639 -10.126 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.978 -8.755 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.774 -11.268 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.087 -11.305 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.395 -9.106 -12.688 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.415 -10.406 -13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.868 -8.763 -13.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.684 -9.500 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.591 -8.072 -11.755 1.00 0.00 H new