USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=8 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 Single : A 10 LYS NZ :NH3+ -157:sc= -0.055 (180deg=-0.304) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0212 (180deg=-0.222) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0659) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= -0.447 (180deg=-1.2) USER MOD Single : A 34 CYS SG : rot -20:sc= -2.28 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= -0.179 (180deg=-2.17!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -142:sc= -0.898 (180deg=-2.08!) USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00864) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.121 -1.562 7.016 1.00 0.00 N ATOM 94 CA LEU A 7 -6.419 -1.203 5.787 1.00 0.00 C ATOM 95 C LEU A 7 -5.063 -0.570 6.087 1.00 0.00 C ATOM 96 O LEU A 7 -4.080 -0.825 5.391 1.00 0.00 O ATOM 97 CB LEU A 7 -7.269 -0.234 4.964 1.00 0.00 C ATOM 98 CG LEU A 7 -7.202 -0.431 3.450 1.00 0.00 C ATOM 99 CD1 LEU A 7 -7.973 0.668 2.735 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.756 -0.463 2.979 1.00 0.00 C ATOM 0 HA LEU A 7 -6.250 -2.117 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.308 -0.329 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.957 0.784 5.196 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.663 -1.388 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.915 0.512 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.016 0.644 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.541 1.637 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.728 -0.604 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.269 0.478 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.233 -1.286 3.466 1.00 0.00 H new ATOM 112 N GLU A 8 -5.020 0.266 7.119 1.00 0.00 N ATOM 113 CA GLU A 8 -3.788 0.947 7.503 1.00 0.00 C ATOM 114 C GLU A 8 -2.751 -0.036 8.041 1.00 0.00 C ATOM 115 O GLU A 8 -1.550 0.159 7.859 1.00 0.00 O ATOM 116 CB GLU A 8 -4.084 2.022 8.550 1.00 0.00 C ATOM 117 CG GLU A 8 -4.873 3.202 8.002 1.00 0.00 C ATOM 118 CD GLU A 8 -5.375 4.126 9.094 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.893 3.616 10.110 1.00 0.00 O ATOM 120 OE2 GLU A 8 -5.251 5.358 8.933 1.00 0.00 O ATOM 0 H GLU A 8 -5.825 0.489 7.705 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.374 1.417 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.641 1.573 9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.143 2.385 8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.244 3.767 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.721 2.831 7.427 1.00 0.00 H new ATOM 127 N GLU A 9 -3.218 -1.089 8.704 1.00 0.00 N ATOM 128 CA GLU A 9 -2.323 -2.095 9.266 1.00 0.00 C ATOM 129 C GLU A 9 -1.798 -3.038 8.184 1.00 0.00 C ATOM 130 O GLU A 9 -0.782 -3.708 8.372 1.00 0.00 O ATOM 131 CB GLU A 9 -3.045 -2.895 10.356 1.00 0.00 C ATOM 132 CG GLU A 9 -4.136 -3.810 9.826 1.00 0.00 C ATOM 133 CD GLU A 9 -4.394 -4.997 10.733 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.726 -6.037 10.555 1.00 0.00 O ATOM 135 OE2 GLU A 9 -5.264 -4.886 11.622 1.00 0.00 O ATOM 0 H GLU A 9 -4.209 -1.268 8.865 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.470 -1.578 9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.313 -3.494 10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.483 -2.201 11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.058 -3.240 9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.855 -4.169 8.836 1.00 0.00 H new ATOM 142 N LYS A 10 -2.500 -3.093 7.057 1.00 0.00 N ATOM 143 CA LYS A 10 -2.111 -3.961 5.950 1.00 0.00 C ATOM 144 C LYS A 10 -0.892 -3.408 5.215 1.00 0.00 C ATOM 145 O LYS A 10 0.028 -4.150 4.874 1.00 0.00 O ATOM 146 CB LYS A 10 -3.280 -4.126 4.976 1.00 0.00 C ATOM 147 CG LYS A 10 -3.917 -5.506 5.019 1.00 0.00 C ATOM 148 CD LYS A 10 -3.290 -6.442 3.998 1.00 0.00 C ATOM 149 CE LYS A 10 -4.172 -6.600 2.770 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.435 -7.326 3.083 1.00 0.00 N ATOM 0 H LYS A 10 -3.343 -2.546 6.885 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.845 -4.934 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.039 -3.377 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.929 -3.928 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.805 -5.928 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.986 -5.420 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.315 -6.056 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.121 -7.418 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.409 -5.616 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.625 -7.140 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.815 -7.753 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.242 -8.073 3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.131 -6.659 3.474 1.00 0.00 H new ATOM 164 N VAL A 11 -0.896 -2.102 4.970 1.00 0.00 N ATOM 165 CA VAL A 11 0.205 -1.450 4.270 1.00 0.00 C ATOM 166 C VAL A 11 1.421 -1.288 5.172 1.00 0.00 C ATOM 167 O VAL A 11 2.554 -1.279 4.701 1.00 0.00 O ATOM 168 CB VAL A 11 -0.207 -0.068 3.725 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.895 0.513 2.850 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.515 -0.162 2.955 1.00 0.00 C ATOM 0 H VAL A 11 -1.650 -1.473 5.246 1.00 0.00 H new ATOM 0 HA VAL A 11 0.465 -2.097 3.433 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.359 0.602 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.585 1.488 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.806 0.623 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.083 -0.156 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.788 0.824 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.396 -0.849 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.301 -0.528 3.616 1.00 0.00 H new ATOM 180 N LYS A 12 1.177 -1.161 6.469 1.00 0.00 N ATOM 181 CA LYS A 12 2.254 -1.004 7.441 1.00 0.00 C ATOM 182 C LYS A 12 3.143 -2.238 7.443 1.00 0.00 C ATOM 183 O LYS A 12 4.362 -2.142 7.591 1.00 0.00 O ATOM 184 CB LYS A 12 1.682 -0.763 8.839 1.00 0.00 C ATOM 185 CG LYS A 12 2.505 0.203 9.676 1.00 0.00 C ATOM 186 CD LYS A 12 1.732 0.685 10.893 1.00 0.00 C ATOM 187 CE LYS A 12 2.119 -0.091 12.141 1.00 0.00 C ATOM 188 NZ LYS A 12 1.907 0.709 13.381 1.00 0.00 N ATOM 0 H LYS A 12 0.241 -1.163 6.875 1.00 0.00 H new ATOM 0 HA LYS A 12 2.853 -0.139 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.667 -0.376 8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.612 -1.716 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.425 -0.286 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.795 1.058 9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.923 1.747 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.663 0.576 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.531 -1.008 12.195 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.166 -0.387 12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.183 0.144 14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.487 1.571 13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.903 0.970 13.458 1.00 0.00 H new ATOM 202 N ALA A 13 2.526 -3.397 7.250 1.00 0.00 N ATOM 203 CA ALA A 13 3.260 -4.654 7.196 1.00 0.00 C ATOM 204 C ALA A 13 3.860 -4.833 5.808 1.00 0.00 C ATOM 205 O ALA A 13 4.851 -5.538 5.621 1.00 0.00 O ATOM 206 CB ALA A 13 2.346 -5.822 7.540 1.00 0.00 C ATOM 0 H ALA A 13 1.518 -3.492 7.128 1.00 0.00 H new ATOM 0 HA ALA A 13 4.065 -4.629 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.912 -6.752 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.948 -5.688 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.523 -5.863 6.826 1.00 0.00 H new ATOM 212 N LEU A 14 3.240 -4.166 4.844 1.00 0.00 N ATOM 213 CA LEU A 14 3.671 -4.201 3.457 1.00 0.00 C ATOM 214 C LEU A 14 5.037 -3.534 3.294 1.00 0.00 C ATOM 215 O LEU A 14 5.777 -3.834 2.358 1.00 0.00 O ATOM 216 CB LEU A 14 2.626 -3.488 2.598 1.00 0.00 C ATOM 217 CG LEU A 14 2.552 -3.940 1.139 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.106 -4.180 0.736 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.197 -2.909 0.223 1.00 0.00 C ATOM 0 H LEU A 14 2.419 -3.582 5.005 1.00 0.00 H new ATOM 0 HA LEU A 14 3.768 -5.238 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.647 -3.632 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.833 -2.418 2.618 1.00 0.00 H new ATOM 0 HG LEU A 14 3.102 -4.876 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.067 -4.501 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.675 -4.954 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.538 -3.257 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.134 -3.250 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.676 -1.957 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.244 -2.781 0.499 1.00 0.00 H new ATOM 231 N GLU A 15 5.353 -2.620 4.207 1.00 0.00 N ATOM 232 CA GLU A 15 6.617 -1.896 4.172 1.00 0.00 C ATOM 233 C GLU A 15 7.774 -2.782 4.629 1.00 0.00 C ATOM 234 O GLU A 15 8.789 -2.894 3.943 1.00 0.00 O ATOM 235 CB GLU A 15 6.519 -0.643 5.052 1.00 0.00 C ATOM 236 CG GLU A 15 7.855 0.035 5.317 1.00 0.00 C ATOM 237 CD GLU A 15 7.732 1.216 6.260 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.335 2.306 5.796 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.033 1.051 7.461 1.00 0.00 O ATOM 0 H GLU A 15 4.745 -2.363 4.985 1.00 0.00 H new ATOM 0 HA GLU A 15 6.816 -1.597 3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.849 0.072 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.067 -0.916 6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.550 -0.691 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.281 0.372 4.372 1.00 0.00 H new ATOM 246 N GLU A 16 7.615 -3.409 5.792 1.00 0.00 N ATOM 247 CA GLU A 16 8.650 -4.283 6.337 1.00 0.00 C ATOM 248 C GLU A 16 9.100 -5.314 5.304 1.00 0.00 C ATOM 249 O GLU A 16 10.236 -5.789 5.342 1.00 0.00 O ATOM 250 CB GLU A 16 8.141 -4.991 7.595 1.00 0.00 C ATOM 251 CG GLU A 16 6.939 -5.887 7.347 1.00 0.00 C ATOM 252 CD GLU A 16 6.907 -7.090 8.268 1.00 0.00 C ATOM 253 OE1 GLU A 16 7.992 -7.544 8.689 1.00 0.00 O ATOM 254 OE2 GLU A 16 5.799 -7.581 8.568 1.00 0.00 O ATOM 0 H GLU A 16 6.781 -3.328 6.374 1.00 0.00 H new ATOM 0 HA GLU A 16 9.508 -3.664 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.949 -5.590 8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.877 -4.242 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.025 -5.308 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.952 -6.227 6.312 1.00 0.00 H new ATOM 261 N LYS A 17 8.205 -5.654 4.383 1.00 0.00 N ATOM 262 CA LYS A 17 8.513 -6.625 3.339 1.00 0.00 C ATOM 263 C LYS A 17 9.397 -6.002 2.262 1.00 0.00 C ATOM 264 O LYS A 17 10.333 -6.634 1.771 1.00 0.00 O ATOM 265 CB LYS A 17 7.223 -7.159 2.713 1.00 0.00 C ATOM 266 CG LYS A 17 7.272 -8.645 2.396 1.00 0.00 C ATOM 267 CD LYS A 17 5.895 -9.183 2.042 1.00 0.00 C ATOM 268 CE LYS A 17 5.698 -9.262 0.537 1.00 0.00 C ATOM 269 NZ LYS A 17 4.271 -9.484 0.173 1.00 0.00 N ATOM 0 H LYS A 17 7.260 -5.272 4.338 1.00 0.00 H new ATOM 0 HA LYS A 17 9.056 -7.453 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.393 -6.968 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.018 -6.607 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.957 -8.819 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.667 -9.189 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.767 -10.173 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.129 -8.541 2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.051 -8.339 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.306 -10.072 0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.180 -9.532 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.941 -10.377 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.694 -8.698 0.535 1.00 0.00 H new ATOM 283 N VAL A 18 9.096 -4.760 1.901 1.00 0.00 N ATOM 284 CA VAL A 18 9.861 -4.049 0.884 1.00 0.00 C ATOM 285 C VAL A 18 11.173 -3.524 1.453 1.00 0.00 C ATOM 286 O VAL A 18 12.245 -3.766 0.902 1.00 0.00 O ATOM 287 CB VAL A 18 9.069 -2.866 0.308 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.784 -2.277 -0.897 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.653 -3.289 -0.056 1.00 0.00 C ATOM 0 H VAL A 18 8.325 -4.223 2.299 1.00 0.00 H new ATOM 0 HA VAL A 18 10.066 -4.766 0.089 1.00 0.00 H new ATOM 0 HB VAL A 18 9.004 -2.094 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.206 -1.440 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.772 -1.927 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.887 -3.041 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.111 -2.435 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.691 -4.083 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.142 -3.653 0.835 1.00 0.00 H new ATOM 299 N LYS A 19 11.080 -2.796 2.560 1.00 0.00 N ATOM 300 CA LYS A 19 12.261 -2.233 3.201 1.00 0.00 C ATOM 301 C LYS A 19 13.288 -3.317 3.524 1.00 0.00 C ATOM 302 O LYS A 19 14.468 -3.025 3.722 1.00 0.00 O ATOM 303 CB LYS A 19 11.867 -1.490 4.480 1.00 0.00 C ATOM 304 CG LYS A 19 11.193 -0.153 4.219 1.00 0.00 C ATOM 305 CD LYS A 19 11.740 0.938 5.125 1.00 0.00 C ATOM 306 CE LYS A 19 13.079 1.458 4.625 1.00 0.00 C ATOM 307 NZ LYS A 19 12.935 2.251 3.373 1.00 0.00 N ATOM 0 H LYS A 19 10.201 -2.582 3.031 1.00 0.00 H new ATOM 0 HA LYS A 19 12.716 -1.531 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.195 -2.119 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.758 -1.327 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.340 0.131 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.119 -0.250 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.026 1.760 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.854 0.549 6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.539 2.077 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.751 0.618 4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.786 2.832 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.816 1.606 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.102 2.869 3.448 1.00 0.00 H new ATOM 321 N ALA A 20 12.836 -4.568 3.577 1.00 0.00 N ATOM 322 CA ALA A 20 13.720 -5.688 3.875 1.00 0.00 C ATOM 323 C ALA A 20 14.314 -6.285 2.600 1.00 0.00 C ATOM 324 O ALA A 20 15.310 -7.006 2.652 1.00 0.00 O ATOM 325 CB ALA A 20 12.970 -6.756 4.657 1.00 0.00 C ATOM 0 H ALA A 20 11.863 -4.830 3.417 1.00 0.00 H new ATOM 0 HA ALA A 20 14.543 -5.312 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.641 -7.587 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.604 -6.332 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.127 -7.115 4.066 1.00 0.00 H new ATOM 331 N LEU A 21 13.701 -5.981 1.458 1.00 0.00 N ATOM 332 CA LEU A 21 14.180 -6.496 0.180 1.00 0.00 C ATOM 333 C LEU A 21 15.003 -5.442 -0.555 1.00 0.00 C ATOM 334 O LEU A 21 14.870 -4.246 -0.299 1.00 0.00 O ATOM 335 CB LEU A 21 13.002 -6.960 -0.687 1.00 0.00 C ATOM 336 CG LEU A 21 12.266 -5.858 -1.452 1.00 0.00 C ATOM 337 CD1 LEU A 21 12.996 -5.522 -2.742 1.00 0.00 C ATOM 338 CD2 LEU A 21 10.833 -6.279 -1.744 1.00 0.00 C ATOM 0 H LEU A 21 12.876 -5.384 1.393 1.00 0.00 H new ATOM 0 HA LEU A 21 14.824 -7.353 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.370 -7.692 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.285 -7.474 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 21 12.243 -4.964 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.457 -4.736 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.004 -5.178 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.052 -6.411 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.324 -5.484 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.836 -7.187 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.311 -6.468 -0.806 1.00 0.00 H new ATOM 371 N GLY A 25 14.477 -1.405 -10.106 1.00 0.00 N ATOM 372 CA GLY A 25 13.482 -1.549 -11.151 1.00 0.00 C ATOM 373 C GLY A 25 12.065 -1.486 -10.617 1.00 0.00 C ATOM 374 O GLY A 25 11.607 -0.433 -10.173 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.622 -0.763 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.632 -2.500 -11.662 1.00 0.00 H new ATOM 378 N ARG A 26 11.366 -2.617 -10.660 1.00 0.00 N ATOM 379 CA ARG A 26 9.991 -2.687 -10.176 1.00 0.00 C ATOM 380 C ARG A 26 9.900 -2.248 -8.716 1.00 0.00 C ATOM 381 O ARG A 26 8.864 -1.761 -8.270 1.00 0.00 O ATOM 382 CB ARG A 26 9.439 -4.109 -10.336 1.00 0.00 C ATOM 383 CG ARG A 26 9.959 -5.098 -9.300 1.00 0.00 C ATOM 384 CD ARG A 26 11.446 -5.360 -9.475 1.00 0.00 C ATOM 385 NE ARG A 26 11.878 -6.557 -8.757 1.00 0.00 N ATOM 386 CZ ARG A 26 12.886 -7.338 -9.143 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.582 -7.049 -10.237 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.204 -8.408 -8.429 1.00 0.00 N ATOM 0 H ARG A 26 11.729 -3.497 -11.025 1.00 0.00 H new ATOM 0 HA ARG A 26 9.388 -2.005 -10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.351 -4.074 -10.275 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.691 -4.475 -11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.773 -4.709 -8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.411 -6.036 -9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.672 -5.472 -10.535 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.011 -4.499 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 26 11.376 -6.811 -7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.346 -6.224 -10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.352 -7.652 -10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.677 -8.633 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.975 -9.007 -8.723 1.00 0.00 H new ATOM 402 N ILE A 27 10.991 -2.430 -7.980 1.00 0.00 N ATOM 403 CA ILE A 27 11.034 -2.060 -6.572 1.00 0.00 C ATOM 404 C ILE A 27 10.921 -0.550 -6.388 1.00 0.00 C ATOM 405 O ILE A 27 10.419 -0.076 -5.370 1.00 0.00 O ATOM 406 CB ILE A 27 12.332 -2.554 -5.902 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.507 -4.057 -6.125 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.320 -2.235 -4.414 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.866 -4.575 -5.708 1.00 0.00 C ATOM 0 H ILE A 27 11.858 -2.832 -8.337 1.00 0.00 H new ATOM 0 HA ILE A 27 10.180 -2.541 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 27 13.175 -2.035 -6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.737 -4.591 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.350 -4.280 -7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.244 -2.591 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.238 -1.157 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.470 -2.728 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.919 -5.648 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.641 -4.068 -6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.018 -4.383 -4.646 1.00 0.00 H new ATOM 421 N GLU A 28 11.403 0.202 -7.374 1.00 0.00 N ATOM 422 CA GLU A 28 11.366 1.661 -7.311 1.00 0.00 C ATOM 423 C GLU A 28 9.933 2.186 -7.347 1.00 0.00 C ATOM 424 O GLU A 28 9.513 2.922 -6.456 1.00 0.00 O ATOM 425 CB GLU A 28 12.170 2.258 -8.469 1.00 0.00 C ATOM 426 CG GLU A 28 13.546 2.758 -8.059 1.00 0.00 C ATOM 427 CD GLU A 28 13.477 3.956 -7.132 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.562 4.789 -7.306 1.00 0.00 O ATOM 429 OE2 GLU A 28 14.337 4.062 -6.234 1.00 0.00 O ATOM 0 H GLU A 28 11.823 -0.173 -8.224 1.00 0.00 H new ATOM 0 HA GLU A 28 11.812 1.966 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.284 1.504 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.607 3.084 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.090 1.952 -7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.112 3.025 -8.951 1.00 0.00 H new ATOM 436 N GLU A 29 9.189 1.813 -8.383 1.00 0.00 N ATOM 437 CA GLU A 29 7.806 2.256 -8.533 1.00 0.00 C ATOM 438 C GLU A 29 6.952 1.825 -7.344 1.00 0.00 C ATOM 439 O GLU A 29 5.947 2.462 -7.026 1.00 0.00 O ATOM 440 CB GLU A 29 7.209 1.703 -9.830 1.00 0.00 C ATOM 441 CG GLU A 29 5.737 2.037 -10.019 1.00 0.00 C ATOM 442 CD GLU A 29 5.465 3.528 -9.953 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.338 4.310 -10.384 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.380 3.913 -9.469 1.00 0.00 O ATOM 0 H GLU A 29 9.520 1.205 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 29 7.809 3.345 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.773 2.097 -10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.331 0.620 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.402 1.652 -10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.152 1.530 -9.252 1.00 0.00 H new ATOM 451 N LEU A 30 7.351 0.736 -6.698 1.00 0.00 N ATOM 452 CA LEU A 30 6.614 0.213 -5.554 1.00 0.00 C ATOM 453 C LEU A 30 6.926 0.990 -4.278 1.00 0.00 C ATOM 454 O LEU A 30 6.150 0.960 -3.324 1.00 0.00 O ATOM 455 CB LEU A 30 6.935 -1.268 -5.351 1.00 0.00 C ATOM 456 CG LEU A 30 6.467 -2.191 -6.475 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.025 -3.594 -6.281 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.949 -2.222 -6.540 1.00 0.00 C ATOM 0 H LEU A 30 8.181 0.198 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 30 5.551 0.329 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.013 -1.378 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.480 -1.598 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 30 6.843 -1.801 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.681 -4.237 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.114 -3.556 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.680 -3.994 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.633 -2.884 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.552 -2.588 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.572 -1.217 -6.728 1.00 0.00 H new ATOM 470 N LYS A 31 8.067 1.670 -4.255 1.00 0.00 N ATOM 471 CA LYS A 31 8.477 2.438 -3.084 1.00 0.00 C ATOM 472 C LYS A 31 7.712 3.755 -2.977 1.00 0.00 C ATOM 473 O LYS A 31 7.041 4.009 -1.982 1.00 0.00 O ATOM 474 CB LYS A 31 9.982 2.708 -3.137 1.00 0.00 C ATOM 475 CG LYS A 31 10.496 3.542 -1.974 1.00 0.00 C ATOM 476 CD LYS A 31 11.894 3.114 -1.558 1.00 0.00 C ATOM 477 CE LYS A 31 12.773 4.312 -1.238 1.00 0.00 C ATOM 478 NZ LYS A 31 12.186 5.161 -0.163 1.00 0.00 N ATOM 0 H LYS A 31 8.725 1.705 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 31 8.244 1.846 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.512 1.756 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.218 3.219 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.505 4.595 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.817 3.445 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.832 2.464 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.350 2.531 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.760 3.966 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.912 4.911 -2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.886 5.866 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.342 5.647 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.920 4.563 0.645 1.00 0.00 H new ATOM 492 N LYS A 32 7.829 4.594 -4.001 1.00 0.00 N ATOM 493 CA LYS A 32 7.158 5.892 -4.013 1.00 0.00 C ATOM 494 C LYS A 32 5.665 5.761 -3.706 1.00 0.00 C ATOM 495 O LYS A 32 5.137 6.456 -2.839 1.00 0.00 O ATOM 496 CB LYS A 32 7.352 6.571 -5.372 1.00 0.00 C ATOM 497 CG LYS A 32 8.113 7.884 -5.292 1.00 0.00 C ATOM 498 CD LYS A 32 8.562 8.352 -6.668 1.00 0.00 C ATOM 499 CE LYS A 32 7.453 9.096 -7.396 1.00 0.00 C ATOM 500 NZ LYS A 32 7.211 8.540 -8.756 1.00 0.00 N ATOM 0 H LYS A 32 8.383 4.399 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 32 7.608 6.504 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.886 5.891 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.375 6.753 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.480 8.645 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.982 7.763 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.431 9.002 -6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.875 7.493 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.534 9.040 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.716 10.151 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.448 9.074 -9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.080 8.616 -9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.935 7.540 -8.678 1.00 0.00 H new ATOM 514 N LYS A 33 4.992 4.877 -4.432 1.00 0.00 N ATOM 515 CA LYS A 33 3.558 4.661 -4.251 1.00 0.00 C ATOM 516 C LYS A 33 3.243 4.044 -2.887 1.00 0.00 C ATOM 517 O LYS A 33 2.133 4.187 -2.379 1.00 0.00 O ATOM 518 CB LYS A 33 3.015 3.766 -5.367 1.00 0.00 C ATOM 519 CG LYS A 33 1.668 4.219 -5.906 1.00 0.00 C ATOM 520 CD LYS A 33 0.776 3.036 -6.248 1.00 0.00 C ATOM 521 CE LYS A 33 0.235 2.367 -4.995 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.627 3.286 -4.201 1.00 0.00 N ATOM 0 H LYS A 33 5.416 4.295 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 33 3.071 5.635 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.735 3.741 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.923 2.747 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.172 4.848 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.818 4.831 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.054 3.372 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.340 2.311 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.338 1.483 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.066 2.026 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.259 2.729 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.029 3.900 -3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.195 3.872 -4.845 1.00 0.00 H new ATOM 536 N CYS A 34 4.212 3.341 -2.315 1.00 0.00 N ATOM 537 CA CYS A 34 4.029 2.683 -1.022 1.00 0.00 C ATOM 538 C CYS A 34 3.715 3.680 0.096 1.00 0.00 C ATOM 539 O CYS A 34 2.697 3.563 0.776 1.00 0.00 O ATOM 540 CB CYS A 34 5.292 1.900 -0.660 1.00 0.00 C ATOM 541 SG CYS A 34 5.002 0.139 -0.298 1.00 0.00 S ATOM 0 H CYS A 34 5.137 3.210 -2.725 1.00 0.00 H new ATOM 0 HA CYS A 34 3.177 2.010 -1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.002 1.978 -1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.758 2.366 0.208 1.00 0.00 H new ATOM 0 HG CYS A 34 3.750 -0.042 -0.001 1.00 0.00 H new ATOM 546 N GLU A 35 4.611 4.643 0.297 1.00 0.00 N ATOM 547 CA GLU A 35 4.443 5.640 1.352 1.00 0.00 C ATOM 548 C GLU A 35 3.260 6.565 1.083 1.00 0.00 C ATOM 549 O GLU A 35 2.371 6.698 1.919 1.00 0.00 O ATOM 550 CB GLU A 35 5.722 6.461 1.523 1.00 0.00 C ATOM 551 CG GLU A 35 6.301 6.958 0.213 1.00 0.00 C ATOM 552 CD GLU A 35 6.652 8.433 0.250 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.261 8.873 1.247 1.00 0.00 O ATOM 554 OE2 GLU A 35 6.316 9.146 -0.718 1.00 0.00 O ATOM 0 H GLU A 35 5.461 4.754 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 35 4.237 5.099 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.512 7.316 2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.469 5.853 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.195 6.382 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.583 6.780 -0.588 1.00 0.00 H new ATOM 561 N GLU A 36 3.253 7.208 -0.080 1.00 0.00 N ATOM 562 CA GLU A 36 2.176 8.125 -0.442 1.00 0.00 C ATOM 563 C GLU A 36 0.805 7.499 -0.191 1.00 0.00 C ATOM 564 O GLU A 36 -0.175 8.198 0.064 1.00 0.00 O ATOM 565 CB GLU A 36 2.300 8.539 -1.910 1.00 0.00 C ATOM 566 CG GLU A 36 2.071 7.397 -2.887 1.00 0.00 C ATOM 567 CD GLU A 36 0.662 7.385 -3.448 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.396 8.149 -4.400 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.175 6.613 -2.936 1.00 0.00 O ATOM 0 H GLU A 36 3.980 7.112 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 36 2.267 9.009 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.582 9.332 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.293 8.956 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.784 7.477 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.267 6.449 -2.385 1.00 0.00 H new ATOM 576 N LEU A 37 0.750 6.176 -0.278 1.00 0.00 N ATOM 577 CA LEU A 37 -0.490 5.437 -0.076 1.00 0.00 C ATOM 578 C LEU A 37 -0.944 5.493 1.383 1.00 0.00 C ATOM 579 O LEU A 37 -2.132 5.647 1.664 1.00 0.00 O ATOM 580 CB LEU A 37 -0.298 3.981 -0.518 1.00 0.00 C ATOM 581 CG LEU A 37 -1.373 2.993 -0.053 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.770 3.538 -0.319 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.189 1.648 -0.742 1.00 0.00 C ATOM 0 H LEU A 37 1.557 5.589 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.268 5.902 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.255 3.955 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.669 3.635 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.263 2.855 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.513 2.816 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.903 4.476 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.895 3.712 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.960 0.956 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.269 1.778 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.206 1.245 -0.497 1.00 0.00 H new ATOM 595 N LYS A 38 0.004 5.356 2.303 1.00 0.00 N ATOM 596 CA LYS A 38 -0.307 5.378 3.730 1.00 0.00 C ATOM 597 C LYS A 38 -0.880 6.728 4.161 1.00 0.00 C ATOM 598 O LYS A 38 -1.989 6.799 4.693 1.00 0.00 O ATOM 599 CB LYS A 38 0.949 5.060 4.546 1.00 0.00 C ATOM 600 CG LYS A 38 0.768 3.899 5.513 1.00 0.00 C ATOM 601 CD LYS A 38 1.742 2.769 5.221 1.00 0.00 C ATOM 602 CE LYS A 38 2.918 2.785 6.184 1.00 0.00 C ATOM 603 NZ LYS A 38 4.076 2.008 5.659 1.00 0.00 N ATOM 0 H LYS A 38 0.993 5.229 2.088 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.065 4.617 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.767 4.830 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.242 5.947 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.913 4.250 6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.254 3.525 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.224 1.813 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.107 2.857 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.224 3.815 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.608 2.371 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.857 2.043 6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.791 1.019 5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.389 2.419 4.756 1.00 0.00 H new ATOM 617 N LYS A 39 -0.118 7.793 3.937 1.00 0.00 N ATOM 618 CA LYS A 39 -0.544 9.139 4.308 1.00 0.00 C ATOM 619 C LYS A 39 -1.930 9.459 3.754 1.00 0.00 C ATOM 620 O LYS A 39 -2.666 10.265 4.324 1.00 0.00 O ATOM 621 CB LYS A 39 0.467 10.171 3.806 1.00 0.00 C ATOM 622 CG LYS A 39 0.574 10.228 2.291 1.00 0.00 C ATOM 623 CD LYS A 39 1.867 10.894 1.848 1.00 0.00 C ATOM 624 CE LYS A 39 1.966 12.322 2.361 1.00 0.00 C ATOM 625 NZ LYS A 39 2.371 13.271 1.286 1.00 0.00 N ATOM 0 H LYS A 39 0.802 7.750 3.498 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.596 9.182 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.185 11.155 4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.447 9.940 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.526 9.218 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.276 10.776 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.717 10.317 2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.923 10.893 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.004 12.628 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.689 12.366 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.427 14.234 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.301 12.994 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.668 13.248 0.520 1.00 0.00 H new ATOM 639 N LYS A 40 -2.278 8.829 2.637 1.00 0.00 N ATOM 640 CA LYS A 40 -3.574 9.053 2.004 1.00 0.00 C ATOM 641 C LYS A 40 -4.709 8.450 2.829 1.00 0.00 C ATOM 642 O LYS A 40 -5.853 8.896 2.745 1.00 0.00 O ATOM 643 CB LYS A 40 -3.585 8.461 0.593 1.00 0.00 C ATOM 644 CG LYS A 40 -4.584 9.127 -0.337 1.00 0.00 C ATOM 645 CD LYS A 40 -4.750 8.346 -1.630 1.00 0.00 C ATOM 646 CE LYS A 40 -5.699 9.047 -2.588 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.544 8.078 -3.340 1.00 0.00 N ATOM 0 H LYS A 40 -1.681 8.159 2.151 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.732 10.130 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.587 8.548 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.813 7.397 0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.548 9.212 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.252 10.140 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.778 8.220 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.128 7.348 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.339 9.730 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.125 9.650 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.583 8.356 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.134 7.125 -3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.506 8.075 -2.944 1.00 0.00 H new ATOM 661 N ILE A 41 -4.393 7.431 3.621 1.00 0.00 N ATOM 662 CA ILE A 41 -5.396 6.776 4.453 1.00 0.00 C ATOM 663 C ILE A 41 -5.719 7.614 5.685 1.00 0.00 C ATOM 664 O ILE A 41 -6.878 7.727 6.084 1.00 0.00 O ATOM 665 CB ILE A 41 -4.935 5.375 4.904 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.270 4.631 3.742 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.114 4.581 5.448 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.879 3.207 4.076 1.00 0.00 C ATOM 0 H ILE A 41 -3.454 7.042 3.704 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.291 6.672 3.840 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.200 5.489 5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.951 4.621 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.381 5.180 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.774 3.594 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.543 5.106 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.870 4.473 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.414 2.744 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.173 3.209 4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.768 2.642 4.357 1.00 0.00 H new ATOM 680 N GLU A 42 -4.688 8.201 6.286 1.00 0.00 N ATOM 681 CA GLU A 42 -4.870 9.028 7.473 1.00 0.00 C ATOM 682 C GLU A 42 -5.668 10.284 7.141 1.00 0.00 C ATOM 683 O GLU A 42 -6.377 10.824 7.991 1.00 0.00 O ATOM 684 CB GLU A 42 -3.514 9.409 8.075 1.00 0.00 C ATOM 685 CG GLU A 42 -2.672 10.297 7.174 1.00 0.00 C ATOM 686 CD GLU A 42 -1.811 11.270 7.957 1.00 0.00 C ATOM 687 OE1 GLU A 42 -2.296 12.380 8.259 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.653 10.920 8.267 1.00 0.00 O ATOM 0 H GLU A 42 -3.721 8.119 5.971 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.429 8.447 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.679 9.921 9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.956 8.499 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.033 9.673 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.327 10.854 6.504 1.00 0.00 H new ATOM 695 N GLU A 43 -5.556 10.743 5.898 1.00 0.00 N ATOM 696 CA GLU A 43 -6.275 11.931 5.456 1.00 0.00 C ATOM 697 C GLU A 43 -7.738 11.595 5.181 1.00 0.00 C ATOM 698 O GLU A 43 -8.625 12.432 5.352 1.00 0.00 O ATOM 699 CB GLU A 43 -5.617 12.520 4.200 1.00 0.00 C ATOM 700 CG GLU A 43 -5.876 11.730 2.926 1.00 0.00 C ATOM 701 CD GLU A 43 -5.711 12.571 1.676 1.00 0.00 C ATOM 702 OE1 GLU A 43 -4.708 13.311 1.586 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.586 12.492 0.788 1.00 0.00 O ATOM 0 H GLU A 43 -4.975 10.310 5.180 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.233 12.676 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.977 13.539 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.541 12.581 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.192 10.883 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.886 11.322 2.955 1.00 0.00 H new ATOM 710 N LEU A 44 -7.973 10.359 4.757 1.00 0.00 N ATOM 711 CA LEU A 44 -9.318 9.888 4.454 1.00 0.00 C ATOM 712 C LEU A 44 -10.230 10.022 5.671 1.00 0.00 C ATOM 713 O LEU A 44 -9.822 10.537 6.712 1.00 0.00 O ATOM 714 CB LEU A 44 -9.266 8.428 3.992 1.00 0.00 C ATOM 715 CG LEU A 44 -9.373 8.222 2.481 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.411 6.738 2.151 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.607 8.923 1.933 1.00 0.00 C ATOM 0 H LEU A 44 -7.243 9.661 4.615 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.727 10.504 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.331 7.987 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.075 7.881 4.476 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.493 8.659 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.487 6.607 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.499 6.262 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.274 6.280 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.667 8.766 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.499 8.515 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.541 9.991 2.140 1.00 0.00 H new ATOM 757 N GLU A 49 -15.225 7.021 -0.591 1.00 0.00 N ATOM 758 CA GLU A 49 -13.864 7.202 -1.076 1.00 0.00 C ATOM 759 C GLU A 49 -12.946 6.103 -0.549 1.00 0.00 C ATOM 760 O GLU A 49 -11.920 5.793 -1.157 1.00 0.00 O ATOM 761 CB GLU A 49 -13.333 8.572 -0.654 1.00 0.00 C ATOM 762 CG GLU A 49 -12.109 9.013 -1.436 1.00 0.00 C ATOM 763 CD GLU A 49 -11.989 10.521 -1.532 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.340 11.209 -0.549 1.00 0.00 O ATOM 765 OE2 GLU A 49 -11.546 11.016 -2.590 1.00 0.00 O ATOM 0 HA GLU A 49 -13.880 7.143 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.122 9.313 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.087 8.546 0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.215 8.611 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.153 8.591 -2.440 1.00 0.00 H new ATOM 772 N VAL A 50 -13.319 5.517 0.585 1.00 0.00 N ATOM 773 CA VAL A 50 -12.529 4.452 1.194 1.00 0.00 C ATOM 774 C VAL A 50 -12.309 3.296 0.222 1.00 0.00 C ATOM 775 O VAL A 50 -11.363 2.522 0.369 1.00 0.00 O ATOM 776 CB VAL A 50 -13.206 3.914 2.470 1.00 0.00 C ATOM 777 CG1 VAL A 50 -12.303 2.912 3.174 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.578 5.057 3.404 1.00 0.00 C ATOM 0 H VAL A 50 -14.164 5.762 1.101 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.564 4.886 1.455 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.123 3.401 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.799 2.544 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.096 2.076 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.366 3.397 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -14.055 4.656 4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.678 5.604 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.268 5.731 2.897 1.00 0.00 H new ATOM 788 N LYS A 51 -13.187 3.182 -0.770 1.00 0.00 N ATOM 789 CA LYS A 51 -13.084 2.116 -1.761 1.00 0.00 C ATOM 790 C LYS A 51 -11.989 2.423 -2.779 1.00 0.00 C ATOM 791 O LYS A 51 -11.369 1.513 -3.329 1.00 0.00 O ATOM 792 CB LYS A 51 -14.422 1.926 -2.475 1.00 0.00 C ATOM 793 CG LYS A 51 -15.310 0.873 -1.833 1.00 0.00 C ATOM 794 CD LYS A 51 -16.313 1.496 -0.876 1.00 0.00 C ATOM 795 CE LYS A 51 -17.326 0.474 -0.385 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.815 -0.303 0.779 1.00 0.00 N ATOM 0 H LYS A 51 -13.976 3.813 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.823 1.194 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.954 2.877 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.235 1.648 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.841 0.321 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.692 0.153 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.786 1.925 -0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.833 2.314 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.248 0.983 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.574 -0.210 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.536 -0.988 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.949 -0.810 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.603 0.346 1.563 1.00 0.00 H new ATOM 810 N LYS A 52 -11.758 3.708 -3.026 1.00 0.00 N ATOM 811 CA LYS A 52 -10.739 4.131 -3.980 1.00 0.00 C ATOM 812 C LYS A 52 -9.340 3.804 -3.465 1.00 0.00 C ATOM 813 O LYS A 52 -8.576 3.096 -4.121 1.00 0.00 O ATOM 814 CB LYS A 52 -10.864 5.634 -4.250 1.00 0.00 C ATOM 815 CG LYS A 52 -9.719 6.209 -5.070 1.00 0.00 C ATOM 816 CD LYS A 52 -10.037 7.610 -5.570 1.00 0.00 C ATOM 817 CE LYS A 52 -10.354 7.613 -7.057 1.00 0.00 C ATOM 818 NZ LYS A 52 -9.970 8.898 -7.704 1.00 0.00 N ATOM 0 H LYS A 52 -12.262 4.474 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.895 3.586 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.802 5.823 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.917 6.161 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.814 6.235 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.515 5.557 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.885 8.011 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.190 8.268 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.828 6.791 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.420 7.438 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.202 8.860 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.491 9.680 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.948 9.053 -7.589 1.00 0.00 H new ATOM 832 N VAL A 53 -9.012 4.322 -2.286 1.00 0.00 N ATOM 833 CA VAL A 53 -7.706 4.082 -1.683 1.00 0.00 C ATOM 834 C VAL A 53 -7.477 2.593 -1.449 1.00 0.00 C ATOM 835 O VAL A 53 -6.342 2.118 -1.483 1.00 0.00 O ATOM 836 CB VAL A 53 -7.558 4.830 -0.345 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.136 4.711 0.181 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.954 6.290 -0.506 1.00 0.00 C ATOM 0 H VAL A 53 -9.632 4.910 -1.729 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.960 4.457 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.228 4.372 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.052 5.246 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.892 3.660 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.443 5.142 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.844 6.804 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.311 6.762 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.992 6.352 -0.833 1.00 0.00 H new ATOM 848 N GLU A 54 -8.562 1.861 -1.215 1.00 0.00 N ATOM 849 CA GLU A 54 -8.478 0.425 -0.981 1.00 0.00 C ATOM 850 C GLU A 54 -7.919 -0.288 -2.208 1.00 0.00 C ATOM 851 O GLU A 54 -7.215 -1.290 -2.090 1.00 0.00 O ATOM 852 CB GLU A 54 -9.856 -0.139 -0.631 1.00 0.00 C ATOM 853 CG GLU A 54 -9.837 -1.614 -0.269 1.00 0.00 C ATOM 854 CD GLU A 54 -9.504 -1.852 1.191 1.00 0.00 C ATOM 855 OE1 GLU A 54 -10.196 -1.278 2.058 1.00 0.00 O ATOM 856 OE2 GLU A 54 -8.551 -2.611 1.468 1.00 0.00 O ATOM 0 H GLU A 54 -9.509 2.239 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.803 0.255 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.269 0.426 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.526 0.010 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.810 -2.052 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.106 -2.128 -0.893 1.00 0.00 H new ATOM 863 N GLU A 55 -8.237 0.242 -3.384 1.00 0.00 N ATOM 864 CA GLU A 55 -7.767 -0.337 -4.636 1.00 0.00 C ATOM 865 C GLU A 55 -6.306 0.026 -4.886 1.00 0.00 C ATOM 866 O GLU A 55 -5.578 -0.714 -5.547 1.00 0.00 O ATOM 867 CB GLU A 55 -8.631 0.147 -5.802 1.00 0.00 C ATOM 868 CG GLU A 55 -8.261 -0.481 -7.136 1.00 0.00 C ATOM 869 CD GLU A 55 -9.398 -1.278 -7.744 1.00 0.00 C ATOM 870 OE1 GLU A 55 -10.223 -1.816 -6.975 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.465 -1.365 -8.988 1.00 0.00 O ATOM 0 H GLU A 55 -8.819 1.072 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.847 -1.421 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.676 -0.072 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.543 1.230 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.960 0.303 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.398 -1.133 -6.999 1.00 0.00 H new ATOM 878 N GLU A 56 -5.885 1.168 -4.352 1.00 0.00 N ATOM 879 CA GLU A 56 -4.511 1.631 -4.514 1.00 0.00 C ATOM 880 C GLU A 56 -3.539 0.725 -3.764 1.00 0.00 C ATOM 881 O GLU A 56 -2.382 0.576 -4.159 1.00 0.00 O ATOM 882 CB GLU A 56 -4.378 3.070 -4.011 1.00 0.00 C ATOM 883 CG GLU A 56 -4.703 4.115 -5.064 1.00 0.00 C ATOM 884 CD GLU A 56 -3.941 5.409 -4.856 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.583 5.707 -3.697 1.00 0.00 O ATOM 886 OE2 GLU A 56 -3.702 6.125 -5.851 1.00 0.00 O ATOM 0 H GLU A 56 -6.477 1.791 -3.802 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.263 1.598 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.040 3.210 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.360 3.229 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.470 3.715 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.773 4.321 -5.048 1.00 0.00 H new ATOM 893 N VAL A 57 -4.019 0.120 -2.682 1.00 0.00 N ATOM 894 CA VAL A 57 -3.199 -0.776 -1.873 1.00 0.00 C ATOM 895 C VAL A 57 -3.174 -2.179 -2.466 1.00 0.00 C ATOM 896 O VAL A 57 -2.234 -2.940 -2.243 1.00 0.00 O ATOM 897 CB VAL A 57 -3.715 -0.855 -0.424 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.742 -1.634 0.447 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.952 0.541 0.138 1.00 0.00 C ATOM 0 H VAL A 57 -4.975 0.234 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.189 -0.365 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.668 -1.384 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.123 -1.679 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.632 -2.645 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.772 -1.136 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.316 0.464 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.017 1.101 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.692 1.058 -0.472 1.00 0.00 H new ATOM 909 N LYS A 58 -4.219 -2.514 -3.212 1.00 0.00 N ATOM 910 CA LYS A 58 -4.333 -3.827 -3.837 1.00 0.00 C ATOM 911 C LYS A 58 -3.380 -3.963 -5.023 1.00 0.00 C ATOM 912 O LYS A 58 -2.959 -5.067 -5.363 1.00 0.00 O ATOM 913 CB LYS A 58 -5.773 -4.068 -4.295 1.00 0.00 C ATOM 914 CG LYS A 58 -6.529 -5.059 -3.426 1.00 0.00 C ATOM 915 CD LYS A 58 -8.025 -5.004 -3.689 1.00 0.00 C ATOM 916 CE LYS A 58 -8.627 -6.397 -3.795 1.00 0.00 C ATOM 917 NZ LYS A 58 -9.311 -6.804 -2.538 1.00 0.00 N ATOM 0 H LYS A 58 -5.004 -1.891 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.059 -4.577 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.308 -3.118 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.763 -4.432 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.162 -6.067 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.335 -4.844 -2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.516 -4.455 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.213 -4.455 -4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.339 -6.423 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.841 -7.115 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.707 -7.759 -2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.627 -6.804 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.078 -6.134 -2.327 1.00 0.00 H new ATOM 931 N LYS A 59 -3.063 -2.843 -5.663 1.00 0.00 N ATOM 932 CA LYS A 59 -2.177 -2.849 -6.826 1.00 0.00 C ATOM 933 C LYS A 59 -0.716 -3.051 -6.427 1.00 0.00 C ATOM 934 O LYS A 59 0.011 -3.801 -7.077 1.00 0.00 O ATOM 935 CB LYS A 59 -2.325 -1.542 -7.609 1.00 0.00 C ATOM 936 CG LYS A 59 -1.394 -1.438 -8.810 1.00 0.00 C ATOM 937 CD LYS A 59 -0.502 -0.208 -8.725 1.00 0.00 C ATOM 938 CE LYS A 59 -1.092 0.965 -9.492 1.00 0.00 C ATOM 939 NZ LYS A 59 -1.179 2.191 -8.653 1.00 0.00 N ATOM 0 H LYS A 59 -3.405 -1.919 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.470 -3.688 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.356 -1.448 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.134 -0.704 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.775 -2.333 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.984 -1.397 -9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.365 0.071 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.484 -0.445 -9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.479 1.169 -10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.086 0.700 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.058 2.701 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.177 1.925 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.363 2.805 -8.850 1.00 0.00 H new ATOM 953 N LEU A 60 -0.281 -2.368 -5.373 1.00 0.00 N ATOM 954 CA LEU A 60 1.103 -2.474 -4.922 1.00 0.00 C ATOM 955 C LEU A 60 1.370 -3.802 -4.221 1.00 0.00 C ATOM 956 O LEU A 60 2.505 -4.269 -4.179 1.00 0.00 O ATOM 957 CB LEU A 60 1.457 -1.320 -3.988 1.00 0.00 C ATOM 958 CG LEU A 60 2.954 -1.022 -3.895 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.218 0.459 -4.092 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.517 -1.498 -2.565 1.00 0.00 C ATOM 0 H LEU A 60 -0.862 -1.739 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 60 1.733 -2.425 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.940 -0.422 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.081 -1.547 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 60 3.460 -1.567 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.289 0.650 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.858 0.765 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.697 1.027 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.583 -1.276 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.006 -0.987 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.366 -2.573 -2.470 1.00 0.00 H new ATOM 972 N GLU A 61 0.327 -4.404 -3.670 1.00 0.00 N ATOM 973 CA GLU A 61 0.461 -5.675 -2.975 1.00 0.00 C ATOM 974 C GLU A 61 0.758 -6.802 -3.961 1.00 0.00 C ATOM 975 O GLU A 61 1.756 -7.511 -3.830 1.00 0.00 O ATOM 976 CB GLU A 61 -0.822 -5.979 -2.202 1.00 0.00 C ATOM 977 CG GLU A 61 -0.578 -6.498 -0.797 1.00 0.00 C ATOM 978 CD GLU A 61 -1.475 -7.667 -0.442 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.764 -8.487 -1.339 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.888 -7.764 0.733 1.00 0.00 O ATOM 0 H GLU A 61 -0.623 -4.032 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 61 1.294 -5.603 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.425 -5.073 -2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.404 -6.715 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.464 -6.803 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.740 -5.691 -0.083 1.00 0.00 H new ATOM 987 N GLU A 62 -0.117 -6.954 -4.948 1.00 0.00 N ATOM 988 CA GLU A 62 0.037 -7.985 -5.967 1.00 0.00 C ATOM 989 C GLU A 62 1.328 -7.790 -6.757 1.00 0.00 C ATOM 990 O GLU A 62 1.891 -8.746 -7.291 1.00 0.00 O ATOM 991 CB GLU A 62 -1.163 -7.959 -6.915 1.00 0.00 C ATOM 992 CG GLU A 62 -1.587 -9.336 -7.396 1.00 0.00 C ATOM 993 CD GLU A 62 -2.626 -9.275 -8.497 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.688 -8.654 -8.278 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.380 -9.848 -9.578 1.00 0.00 O ATOM 0 H GLU A 62 -0.946 -6.372 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 62 0.087 -8.953 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.004 -7.485 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.920 -7.340 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.712 -9.876 -7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.987 -9.903 -6.555 1.00 0.00 H new ATOM 1002 N GLU A 63 1.787 -6.546 -6.832 1.00 0.00 N ATOM 1003 CA GLU A 63 3.007 -6.221 -7.562 1.00 0.00 C ATOM 1004 C GLU A 63 4.216 -6.929 -6.955 1.00 0.00 C ATOM 1005 O GLU A 63 4.897 -7.702 -7.627 1.00 0.00 O ATOM 1006 CB GLU A 63 3.229 -4.706 -7.566 1.00 0.00 C ATOM 1007 CG GLU A 63 3.406 -4.122 -8.957 1.00 0.00 C ATOM 1008 CD GLU A 63 4.811 -4.310 -9.494 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.773 -4.013 -8.756 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.949 -4.755 -10.653 1.00 0.00 O ATOM 0 H GLU A 63 1.332 -5.744 -6.395 1.00 0.00 H new ATOM 0 HA GLU A 63 2.892 -6.568 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.381 -4.221 -7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.111 -4.475 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.695 -4.591 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.169 -3.058 -8.933 1.00 0.00 H new ATOM 1017 N ILE A 64 4.473 -6.659 -5.678 1.00 0.00 N ATOM 1018 CA ILE A 64 5.597 -7.266 -4.972 1.00 0.00 C ATOM 1019 C ILE A 64 5.575 -8.788 -5.100 1.00 0.00 C ATOM 1020 O ILE A 64 6.613 -9.443 -4.998 1.00 0.00 O ATOM 1021 CB ILE A 64 5.593 -6.887 -3.477 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.486 -5.368 -3.308 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.848 -7.413 -2.794 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.517 -4.914 -1.862 1.00 0.00 C ATOM 0 H ILE A 64 3.916 -6.021 -5.109 1.00 0.00 H new ATOM 0 HA ILE A 64 6.505 -6.880 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 64 4.724 -7.346 -3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.305 -4.892 -3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.560 -5.024 -3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.831 -7.138 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.884 -8.499 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.729 -6.980 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.437 -3.828 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.682 -5.361 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.455 -5.227 -1.402 1.00 0.00 H new ATOM 1036 N LYS A 65 4.390 -9.346 -5.323 1.00 0.00 N ATOM 1037 CA LYS A 65 4.242 -10.789 -5.464 1.00 0.00 C ATOM 1038 C LYS A 65 4.989 -11.292 -6.696 1.00 0.00 C ATOM 1039 O LYS A 65 5.472 -12.425 -6.721 1.00 0.00 O ATOM 1040 CB LYS A 65 2.761 -11.165 -5.556 1.00 0.00 C ATOM 1041 CG LYS A 65 2.245 -11.903 -4.331 1.00 0.00 C ATOM 1042 CD LYS A 65 1.226 -11.074 -3.563 1.00 0.00 C ATOM 1043 CE LYS A 65 1.456 -11.159 -2.063 1.00 0.00 C ATOM 1044 NZ LYS A 65 1.273 -12.545 -1.550 1.00 0.00 N ATOM 0 H LYS A 65 3.520 -8.821 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 65 4.673 -11.264 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.173 -10.259 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.607 -11.788 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.791 -12.845 -4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.081 -12.151 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.286 -10.034 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.220 -11.422 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.464 -10.816 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.765 -10.489 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.389 -12.551 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.320 -12.882 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.983 -13.171 -1.981 1.00 0.00 H new ATOM 1058 N LYS A 66 5.082 -10.442 -7.714 1.00 0.00 N ATOM 1059 CA LYS A 66 5.772 -10.801 -8.948 1.00 0.00 C ATOM 1060 C LYS A 66 7.272 -10.948 -8.707 1.00 0.00 C ATOM 1061 O LYS A 66 7.894 -11.901 -9.174 1.00 0.00 O ATOM 1062 CB LYS A 66 5.517 -9.744 -10.024 1.00 0.00 C ATOM 1063 CG LYS A 66 4.335 -10.064 -10.924 1.00 0.00 C ATOM 1064 CD LYS A 66 4.556 -9.553 -12.338 1.00 0.00 C ATOM 1065 CE LYS A 66 3.729 -10.334 -13.347 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.280 -10.006 -13.250 1.00 0.00 N ATOM 0 H LYS A 66 4.689 -9.501 -7.709 1.00 0.00 H new ATOM 0 HA LYS A 66 5.381 -11.759 -9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.346 -8.781 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.412 -9.639 -10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.175 -11.142 -10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.431 -9.616 -10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.293 -8.497 -12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.613 -9.631 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.084 -10.116 -14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.871 -11.402 -13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.751 -10.559 -13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.935 -10.238 -12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.141 -8.991 -13.431 1.00 0.00 H new