USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -154:sc= -0.0947 (180deg=-0.501) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (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 33 LYS NZ :NH3+ 169:sc= 0.571 (180deg=0.443) USER MOD Single : A 34 CYS SG : rot 180:sc= -2.61 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+ -145:sc= 0 (180deg=-0.676) USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.0972 (180deg=-0.49) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0398) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.175 -1.290 7.245 1.00 0.00 N ATOM 94 CA LEU A 7 -6.492 -0.984 5.992 1.00 0.00 C ATOM 95 C LEU A 7 -5.118 -0.370 6.245 1.00 0.00 C ATOM 96 O LEU A 7 -4.212 -0.495 5.421 1.00 0.00 O ATOM 97 CB LEU A 7 -7.341 -0.026 5.153 1.00 0.00 C ATOM 98 CG LEU A 7 -7.291 -0.268 3.645 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.176 0.731 2.916 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.859 -0.181 3.140 1.00 0.00 C ATOM 0 HA LEU A 7 -6.352 -1.918 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.377 -0.099 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.014 0.995 5.353 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.667 -1.271 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.128 0.544 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.205 0.623 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.829 1.743 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.841 -0.356 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.458 0.810 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.250 -0.934 3.640 1.00 0.00 H new ATOM 112 N GLU A 8 -4.971 0.303 7.382 1.00 0.00 N ATOM 113 CA GLU A 8 -3.709 0.946 7.733 1.00 0.00 C ATOM 114 C GLU A 8 -2.696 -0.065 8.265 1.00 0.00 C ATOM 115 O GLU A 8 -1.503 0.033 7.981 1.00 0.00 O ATOM 116 CB GLU A 8 -3.947 2.040 8.775 1.00 0.00 C ATOM 117 CG GLU A 8 -4.877 3.143 8.298 1.00 0.00 C ATOM 118 CD GLU A 8 -5.566 3.861 9.441 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.990 3.902 10.548 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.682 4.380 9.230 1.00 0.00 O ATOM 0 H GLU A 8 -5.710 0.417 8.076 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.299 1.391 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.364 1.588 9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.989 2.479 9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.308 3.864 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.630 2.717 7.635 1.00 0.00 H new ATOM 127 N GLU A 9 -3.177 -1.029 9.044 1.00 0.00 N ATOM 128 CA GLU A 9 -2.306 -2.049 9.619 1.00 0.00 C ATOM 129 C GLU A 9 -1.811 -3.029 8.555 1.00 0.00 C ATOM 130 O GLU A 9 -0.814 -3.722 8.755 1.00 0.00 O ATOM 131 CB GLU A 9 -3.040 -2.805 10.733 1.00 0.00 C ATOM 132 CG GLU A 9 -4.111 -3.763 10.228 1.00 0.00 C ATOM 133 CD GLU A 9 -3.893 -5.185 10.710 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.317 -5.359 11.804 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.300 -6.123 9.992 1.00 0.00 O ATOM 0 H GLU A 9 -4.162 -1.125 9.291 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.436 -1.545 10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.312 -3.366 11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.501 -2.082 11.406 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.090 -3.416 10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.121 -3.750 9.138 1.00 0.00 H new ATOM 142 N LYS A 10 -2.516 -3.086 7.430 1.00 0.00 N ATOM 143 CA LYS A 10 -2.148 -3.986 6.342 1.00 0.00 C ATOM 144 C LYS A 10 -0.903 -3.491 5.611 1.00 0.00 C ATOM 145 O LYS A 10 0.069 -4.229 5.452 1.00 0.00 O ATOM 146 CB LYS A 10 -3.312 -4.123 5.356 1.00 0.00 C ATOM 147 CG LYS A 10 -3.822 -5.547 5.210 1.00 0.00 C ATOM 148 CD LYS A 10 -4.980 -5.626 4.227 1.00 0.00 C ATOM 149 CE LYS A 10 -5.817 -6.875 4.451 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.985 -6.933 3.528 1.00 0.00 N ATOM 0 H LYS A 10 -3.345 -2.520 7.247 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.923 -4.961 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.132 -3.484 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.995 -3.758 4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.011 -6.192 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.142 -5.921 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.609 -4.742 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.594 -5.623 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.196 -7.759 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.168 -6.897 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.530 -7.799 3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.591 -6.102 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.650 -6.938 2.544 1.00 0.00 H new ATOM 164 N VAL A 11 -0.944 -2.243 5.160 1.00 0.00 N ATOM 165 CA VAL A 11 0.175 -1.648 4.437 1.00 0.00 C ATOM 166 C VAL A 11 1.416 -1.537 5.312 1.00 0.00 C ATOM 167 O VAL A 11 2.538 -1.580 4.817 1.00 0.00 O ATOM 168 CB VAL A 11 -0.182 -0.251 3.891 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.924 0.267 2.982 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.515 -0.283 3.158 1.00 0.00 C ATOM 0 H VAL A 11 -1.743 -1.621 5.283 1.00 0.00 H new ATOM 0 HA VAL A 11 0.389 -2.314 3.601 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.277 0.432 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.654 1.254 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.855 0.335 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.056 -0.417 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.747 0.713 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.455 -0.982 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.300 -0.603 3.843 1.00 0.00 H new ATOM 180 N LYS A 12 1.206 -1.390 6.612 1.00 0.00 N ATOM 181 CA LYS A 12 2.309 -1.271 7.564 1.00 0.00 C ATOM 182 C LYS A 12 3.214 -2.494 7.496 1.00 0.00 C ATOM 183 O LYS A 12 4.436 -2.383 7.600 1.00 0.00 O ATOM 184 CB LYS A 12 1.771 -1.094 8.985 1.00 0.00 C ATOM 185 CG LYS A 12 2.848 -0.769 10.007 1.00 0.00 C ATOM 186 CD LYS A 12 2.554 -1.414 11.352 1.00 0.00 C ATOM 187 CE LYS A 12 3.833 -1.727 12.110 1.00 0.00 C ATOM 188 NZ LYS A 12 4.636 -2.784 11.433 1.00 0.00 N ATOM 0 H LYS A 12 0.279 -1.350 7.036 1.00 0.00 H new ATOM 0 HA LYS A 12 2.895 -0.391 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.028 -0.297 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.259 -2.008 9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.815 -1.114 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.921 0.312 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.930 -0.748 11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.986 -2.332 11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.431 -0.820 12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.586 -2.051 13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.224 -3.276 12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.997 -3.466 10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.248 -2.348 10.714 1.00 0.00 H new ATOM 202 N ALA A 13 2.610 -3.659 7.294 1.00 0.00 N ATOM 203 CA ALA A 13 3.367 -4.900 7.182 1.00 0.00 C ATOM 204 C ALA A 13 3.941 -5.019 5.777 1.00 0.00 C ATOM 205 O ALA A 13 4.942 -5.696 5.545 1.00 0.00 O ATOM 206 CB ALA A 13 2.483 -6.096 7.505 1.00 0.00 C ATOM 0 H ALA A 13 1.600 -3.770 7.205 1.00 0.00 H new ATOM 0 HA ALA A 13 4.187 -4.885 7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.065 -7.013 7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.104 -6.004 8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.646 -6.129 6.808 1.00 0.00 H new ATOM 212 N LEU A 14 3.286 -4.331 4.850 1.00 0.00 N ATOM 213 CA LEU A 14 3.685 -4.305 3.454 1.00 0.00 C ATOM 214 C LEU A 14 5.045 -3.628 3.287 1.00 0.00 C ATOM 215 O LEU A 14 5.764 -3.882 2.321 1.00 0.00 O ATOM 216 CB LEU A 14 2.617 -3.559 2.655 1.00 0.00 C ATOM 217 CG LEU A 14 2.498 -3.953 1.182 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.056 -4.301 0.848 1.00 0.00 C ATOM 219 CD2 LEU A 14 2.999 -2.833 0.282 1.00 0.00 C ATOM 0 H LEU A 14 2.457 -3.772 5.051 1.00 0.00 H new ATOM 0 HA LEU A 14 3.779 -5.327 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.652 -3.720 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.827 -2.491 2.711 1.00 0.00 H new ATOM 0 HG LEU A 14 3.120 -4.831 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.983 -4.580 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.730 -5.136 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.420 -3.437 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.905 -3.135 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.406 -1.935 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.045 -2.626 0.507 1.00 0.00 H new ATOM 231 N GLU A 15 5.382 -2.757 4.234 1.00 0.00 N ATOM 232 CA GLU A 15 6.642 -2.025 4.201 1.00 0.00 C ATOM 233 C GLU A 15 7.814 -2.931 4.568 1.00 0.00 C ATOM 234 O GLU A 15 8.873 -2.874 3.941 1.00 0.00 O ATOM 235 CB GLU A 15 6.563 -0.827 5.158 1.00 0.00 C ATOM 236 CG GLU A 15 7.908 -0.189 5.469 1.00 0.00 C ATOM 237 CD GLU A 15 7.782 1.030 6.363 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.205 0.903 7.463 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.261 2.111 5.961 1.00 0.00 O ATOM 0 H GLU A 15 4.794 -2.541 5.039 1.00 0.00 H new ATOM 0 HA GLU A 15 6.811 -1.664 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.907 -0.072 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.103 -1.151 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.552 -0.924 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.395 0.097 4.537 1.00 0.00 H new ATOM 246 N GLU A 16 7.620 -3.766 5.581 1.00 0.00 N ATOM 247 CA GLU A 16 8.664 -4.682 6.025 1.00 0.00 C ATOM 248 C GLU A 16 9.133 -5.581 4.881 1.00 0.00 C ATOM 249 O GLU A 16 10.265 -6.065 4.884 1.00 0.00 O ATOM 250 CB GLU A 16 8.159 -5.539 7.186 1.00 0.00 C ATOM 251 CG GLU A 16 7.637 -4.727 8.361 1.00 0.00 C ATOM 252 CD GLU A 16 7.825 -5.436 9.688 1.00 0.00 C ATOM 253 OE1 GLU A 16 8.986 -5.586 10.123 1.00 0.00 O ATOM 254 OE2 GLU A 16 6.810 -5.840 10.295 1.00 0.00 O ATOM 0 H GLU A 16 6.750 -3.828 6.110 1.00 0.00 H new ATOM 0 HA GLU A 16 9.512 -4.085 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.365 -6.192 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.969 -6.182 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.150 -3.766 8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.578 -4.518 8.212 1.00 0.00 H new ATOM 261 N LYS A 17 8.253 -5.802 3.908 1.00 0.00 N ATOM 262 CA LYS A 17 8.575 -6.646 2.762 1.00 0.00 C ATOM 263 C LYS A 17 9.484 -5.920 1.772 1.00 0.00 C ATOM 264 O LYS A 17 10.526 -6.441 1.376 1.00 0.00 O ATOM 265 CB LYS A 17 7.293 -7.092 2.056 1.00 0.00 C ATOM 266 CG LYS A 17 7.434 -8.409 1.312 1.00 0.00 C ATOM 267 CD LYS A 17 6.822 -9.560 2.094 1.00 0.00 C ATOM 268 CE LYS A 17 7.638 -9.889 3.334 1.00 0.00 C ATOM 269 NZ LYS A 17 7.715 -11.356 3.576 1.00 0.00 N ATOM 0 H LYS A 17 7.312 -5.408 3.891 1.00 0.00 H new ATOM 0 HA LYS A 17 9.107 -7.521 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.496 -7.185 2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.988 -6.318 1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.950 -8.331 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.489 -8.613 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.804 -9.302 2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.757 -10.441 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.645 -9.486 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.193 -9.401 4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.280 -11.538 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.756 -11.737 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.163 -11.819 2.760 1.00 0.00 H new ATOM 283 N VAL A 18 9.079 -4.719 1.371 1.00 0.00 N ATOM 284 CA VAL A 18 9.856 -3.928 0.422 1.00 0.00 C ATOM 285 C VAL A 18 11.168 -3.457 1.033 1.00 0.00 C ATOM 286 O VAL A 18 12.229 -3.578 0.421 1.00 0.00 O ATOM 287 CB VAL A 18 9.074 -2.700 -0.070 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.760 -2.079 -1.278 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.636 -3.073 -0.396 1.00 0.00 C ATOM 0 H VAL A 18 8.218 -4.272 1.688 1.00 0.00 H new ATOM 0 HA VAL A 18 10.063 -4.583 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 18 9.057 -1.960 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.192 -1.211 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.769 -1.769 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.811 -2.811 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.100 -2.189 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.625 -3.833 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.150 -3.465 0.498 1.00 0.00 H new ATOM 299 N LYS A 19 11.090 -2.910 2.241 1.00 0.00 N ATOM 300 CA LYS A 19 12.273 -2.413 2.933 1.00 0.00 C ATOM 301 C LYS A 19 13.384 -3.462 2.958 1.00 0.00 C ATOM 302 O LYS A 19 14.566 -3.126 3.023 1.00 0.00 O ATOM 303 CB LYS A 19 11.917 -2.000 4.362 1.00 0.00 C ATOM 304 CG LYS A 19 11.052 -0.753 4.436 1.00 0.00 C ATOM 305 CD LYS A 19 11.495 0.171 5.561 1.00 0.00 C ATOM 306 CE LYS A 19 12.290 1.354 5.029 1.00 0.00 C ATOM 307 NZ LYS A 19 12.982 2.095 6.120 1.00 0.00 N ATOM 0 H LYS A 19 10.220 -2.800 2.761 1.00 0.00 H new ATOM 0 HA LYS A 19 12.637 -1.543 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.396 -2.823 4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.836 -1.828 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.100 -0.220 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.012 -1.040 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.621 0.532 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.103 -0.387 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.026 1.001 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.621 2.031 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.512 2.893 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.278 2.454 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.639 1.456 6.611 1.00 0.00 H new ATOM 321 N ALA A 20 12.996 -4.734 2.904 1.00 0.00 N ATOM 322 CA ALA A 20 13.960 -5.830 2.918 1.00 0.00 C ATOM 323 C ALA A 20 14.357 -6.246 1.502 1.00 0.00 C ATOM 324 O ALA A 20 15.300 -7.015 1.313 1.00 0.00 O ATOM 325 CB ALA A 20 13.393 -7.021 3.678 1.00 0.00 C ATOM 0 H ALA A 20 12.022 -5.030 2.850 1.00 0.00 H new ATOM 0 HA ALA A 20 14.858 -5.477 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.122 -7.831 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.174 -6.727 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.477 -7.359 3.194 1.00 0.00 H new ATOM 331 N LEU A 21 13.631 -5.736 0.513 1.00 0.00 N ATOM 332 CA LEU A 21 13.894 -6.048 -0.879 1.00 0.00 C ATOM 333 C LEU A 21 15.163 -5.340 -1.361 1.00 0.00 C ATOM 334 O LEU A 21 16.020 -4.976 -0.556 1.00 0.00 O ATOM 335 CB LEU A 21 12.686 -5.625 -1.711 1.00 0.00 C ATOM 336 CG LEU A 21 12.072 -6.718 -2.589 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.930 -6.151 -3.417 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.126 -7.349 -3.487 1.00 0.00 C ATOM 0 H LEU A 21 12.848 -5.098 0.657 1.00 0.00 H new ATOM 0 HA LEU A 21 14.055 -7.120 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.916 -5.251 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.981 -4.793 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 21 11.675 -7.497 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.503 -6.940 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.161 -5.755 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.306 -5.351 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.665 -8.123 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.560 -6.585 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.909 -7.793 -2.872 1.00 0.00 H new ATOM 371 N GLY A 25 14.053 -2.494 -10.844 1.00 0.00 N ATOM 372 CA GLY A 25 13.382 -1.234 -11.104 1.00 0.00 C ATOM 373 C GLY A 25 11.954 -1.221 -10.591 1.00 0.00 C ATOM 374 O GLY A 25 11.442 -0.175 -10.192 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.941 -0.424 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.381 -1.041 -12.177 1.00 0.00 H new ATOM 378 N ARG A 26 11.314 -2.385 -10.601 1.00 0.00 N ATOM 379 CA ARG A 26 9.938 -2.502 -10.132 1.00 0.00 C ATOM 380 C ARG A 26 9.818 -2.069 -8.673 1.00 0.00 C ATOM 381 O ARG A 26 8.761 -1.622 -8.234 1.00 0.00 O ATOM 382 CB ARG A 26 9.433 -3.942 -10.303 1.00 0.00 C ATOM 383 CG ARG A 26 9.922 -4.907 -9.230 1.00 0.00 C ATOM 384 CD ARG A 26 11.414 -5.164 -9.347 1.00 0.00 C ATOM 385 NE ARG A 26 11.842 -6.293 -8.525 1.00 0.00 N ATOM 386 CZ ARG A 26 12.943 -7.006 -8.755 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.731 -6.711 -9.781 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.257 -8.016 -7.955 1.00 0.00 N ATOM 0 H ARG A 26 11.725 -3.259 -10.928 1.00 0.00 H new ATOM 0 HA ARG A 26 9.319 -1.839 -10.736 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.343 -3.936 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.747 -4.312 -11.279 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.699 -4.499 -8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.382 -5.850 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.668 -5.358 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.960 -4.270 -9.047 1.00 0.00 H new ATOM 0 HE ARG A 26 11.262 -6.551 -7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.495 -5.934 -10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.573 -7.261 -9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.655 -8.246 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.100 -8.563 -8.131 1.00 0.00 H new ATOM 402 N ILE A 27 10.907 -2.216 -7.926 1.00 0.00 N ATOM 403 CA ILE A 27 10.924 -1.851 -6.516 1.00 0.00 C ATOM 404 C ILE A 27 10.819 -0.339 -6.329 1.00 0.00 C ATOM 405 O ILE A 27 10.301 0.133 -5.318 1.00 0.00 O ATOM 406 CB ILE A 27 12.204 -2.352 -5.819 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.394 -3.849 -6.068 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.146 -2.064 -4.325 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.823 -4.315 -5.889 1.00 0.00 C ATOM 0 H ILE A 27 11.791 -2.586 -8.275 1.00 0.00 H new ATOM 0 HA ILE A 27 10.057 -2.330 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 27 13.057 -1.819 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.751 -4.407 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.068 -4.085 -7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.058 -2.425 -3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.054 -0.990 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.285 -2.571 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.883 -5.386 -6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.469 -3.784 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.147 -4.111 -4.869 1.00 0.00 H new ATOM 421 N GLU A 28 11.325 0.413 -7.301 1.00 0.00 N ATOM 422 CA GLU A 28 11.299 1.870 -7.234 1.00 0.00 C ATOM 423 C GLU A 28 9.869 2.409 -7.240 1.00 0.00 C ATOM 424 O GLU A 28 9.476 3.147 -6.339 1.00 0.00 O ATOM 425 CB GLU A 28 12.081 2.466 -8.406 1.00 0.00 C ATOM 426 CG GLU A 28 13.576 2.568 -8.151 1.00 0.00 C ATOM 427 CD GLU A 28 13.996 3.951 -7.693 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.629 4.937 -8.366 1.00 0.00 O ATOM 429 OE2 GLU A 28 14.691 4.048 -6.660 1.00 0.00 O ATOM 0 H GLU A 28 11.758 0.038 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 28 11.767 2.165 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.913 1.854 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.690 3.459 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.863 1.836 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.115 2.312 -9.063 1.00 0.00 H new ATOM 436 N GLU A 29 9.099 2.047 -8.261 1.00 0.00 N ATOM 437 CA GLU A 29 7.717 2.509 -8.380 1.00 0.00 C ATOM 438 C GLU A 29 6.873 2.043 -7.196 1.00 0.00 C ATOM 439 O GLU A 29 5.919 2.711 -6.800 1.00 0.00 O ATOM 440 CB GLU A 29 7.099 2.003 -9.689 1.00 0.00 C ATOM 441 CG GLU A 29 5.610 2.296 -9.820 1.00 0.00 C ATOM 442 CD GLU A 29 5.265 3.005 -11.115 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.119 3.763 -11.623 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.142 2.802 -11.623 1.00 0.00 O ATOM 0 H GLU A 29 9.406 1.436 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 29 7.729 3.599 -8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.625 2.459 -10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.256 0.927 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.053 1.361 -9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.289 2.909 -8.978 1.00 0.00 H new ATOM 451 N LEU A 30 7.227 0.891 -6.642 1.00 0.00 N ATOM 452 CA LEU A 30 6.498 0.332 -5.511 1.00 0.00 C ATOM 453 C LEU A 30 6.791 1.097 -4.224 1.00 0.00 C ATOM 454 O LEU A 30 6.019 1.034 -3.271 1.00 0.00 O ATOM 455 CB LEU A 30 6.849 -1.145 -5.328 1.00 0.00 C ATOM 456 CG LEU A 30 6.376 -2.065 -6.453 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.958 -3.460 -6.283 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.858 -2.121 -6.492 1.00 0.00 C ATOM 0 H LEU A 30 8.015 0.325 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 30 5.434 0.425 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.931 -1.237 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.417 -1.492 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 30 6.730 -1.659 -7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.610 -4.101 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.046 -3.405 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.635 -3.875 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.539 -2.781 -7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.483 -2.502 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.461 -1.120 -6.663 1.00 0.00 H new ATOM 470 N LYS A 31 7.915 1.804 -4.196 1.00 0.00 N ATOM 471 CA LYS A 31 8.310 2.566 -3.015 1.00 0.00 C ATOM 472 C LYS A 31 7.537 3.877 -2.904 1.00 0.00 C ATOM 473 O LYS A 31 6.853 4.117 -1.918 1.00 0.00 O ATOM 474 CB LYS A 31 9.810 2.851 -3.058 1.00 0.00 C ATOM 475 CG LYS A 31 10.319 3.602 -1.841 1.00 0.00 C ATOM 476 CD LYS A 31 11.676 3.081 -1.396 1.00 0.00 C ATOM 477 CE LYS A 31 11.536 1.992 -0.345 1.00 0.00 C ATOM 478 NZ LYS A 31 12.859 1.458 0.081 1.00 0.00 N ATOM 0 H LYS A 31 8.569 1.866 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 31 8.075 1.964 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.349 1.907 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.036 3.430 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.393 4.665 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.604 3.503 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.217 2.690 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.269 3.903 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.009 2.390 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.928 1.180 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.720 0.718 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.352 1.055 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.431 2.228 0.484 1.00 0.00 H new ATOM 492 N LYS A 32 7.661 4.728 -3.917 1.00 0.00 N ATOM 493 CA LYS A 32 6.982 6.022 -3.922 1.00 0.00 C ATOM 494 C LYS A 32 5.477 5.868 -3.698 1.00 0.00 C ATOM 495 O LYS A 32 4.839 6.728 -3.091 1.00 0.00 O ATOM 496 CB LYS A 32 7.238 6.744 -5.247 1.00 0.00 C ATOM 497 CG LYS A 32 7.635 8.203 -5.077 1.00 0.00 C ATOM 498 CD LYS A 32 8.931 8.520 -5.808 1.00 0.00 C ATOM 499 CE LYS A 32 9.684 9.659 -5.139 1.00 0.00 C ATOM 500 NZ LYS A 32 10.754 9.161 -4.231 1.00 0.00 N ATOM 0 H LYS A 32 8.226 4.546 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 32 7.386 6.613 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.026 6.222 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.339 6.690 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.838 8.844 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.750 8.428 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.562 7.631 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.711 8.786 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.125 10.300 -5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.984 10.273 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.243 9.969 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.331 8.570 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.436 8.596 -4.776 1.00 0.00 H new ATOM 514 N LYS A 33 4.918 4.775 -4.201 1.00 0.00 N ATOM 515 CA LYS A 33 3.488 4.509 -4.068 1.00 0.00 C ATOM 516 C LYS A 33 3.148 3.898 -2.709 1.00 0.00 C ATOM 517 O LYS A 33 2.015 3.996 -2.244 1.00 0.00 O ATOM 518 CB LYS A 33 3.018 3.584 -5.193 1.00 0.00 C ATOM 519 CG LYS A 33 1.837 4.133 -5.976 1.00 0.00 C ATOM 520 CD LYS A 33 1.115 3.034 -6.741 1.00 0.00 C ATOM 521 CE LYS A 33 0.284 2.163 -5.814 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.940 2.867 -5.338 1.00 0.00 N ATOM 0 H LYS A 33 5.434 4.055 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 33 2.966 5.463 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.847 3.408 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.745 2.618 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.141 4.620 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.184 4.895 -6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.470 3.480 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.843 2.416 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.002 1.249 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.888 1.866 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.569 2.188 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.672 3.615 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.435 3.290 -6.149 1.00 0.00 H new ATOM 536 N CYS A 34 4.126 3.242 -2.094 1.00 0.00 N ATOM 537 CA CYS A 34 3.925 2.588 -0.801 1.00 0.00 C ATOM 538 C CYS A 34 3.639 3.589 0.320 1.00 0.00 C ATOM 539 O CYS A 34 2.613 3.505 0.994 1.00 0.00 O ATOM 540 CB CYS A 34 5.173 1.779 -0.443 1.00 0.00 C ATOM 541 SG CYS A 34 4.839 0.039 -0.018 1.00 0.00 S ATOM 0 H CYS A 34 5.070 3.148 -2.470 1.00 0.00 H new ATOM 0 HA CYS A 34 3.055 1.938 -0.895 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.866 1.809 -1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.673 2.257 0.399 1.00 0.00 H new ATOM 0 HG CYS A 34 5.957 -0.560 0.267 1.00 0.00 H new ATOM 546 N GLU A 35 4.565 4.519 0.528 1.00 0.00 N ATOM 547 CA GLU A 35 4.430 5.520 1.582 1.00 0.00 C ATOM 548 C GLU A 35 3.328 6.526 1.272 1.00 0.00 C ATOM 549 O GLU A 35 2.559 6.900 2.153 1.00 0.00 O ATOM 550 CB GLU A 35 5.757 6.249 1.798 1.00 0.00 C ATOM 551 CG GLU A 35 6.363 6.790 0.517 1.00 0.00 C ATOM 552 CD GLU A 35 6.637 8.280 0.580 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.664 9.061 0.643 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.824 8.666 0.570 1.00 0.00 O ATOM 0 H GLU A 35 5.421 4.601 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 35 4.154 4.994 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.601 7.073 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.466 5.566 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.294 6.262 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.688 6.584 -0.314 1.00 0.00 H new ATOM 561 N GLU A 36 3.254 6.964 0.022 1.00 0.00 N ATOM 562 CA GLU A 36 2.239 7.929 -0.389 1.00 0.00 C ATOM 563 C GLU A 36 0.837 7.378 -0.144 1.00 0.00 C ATOM 564 O GLU A 36 -0.112 8.131 0.070 1.00 0.00 O ATOM 565 CB GLU A 36 2.411 8.284 -1.866 1.00 0.00 C ATOM 566 CG GLU A 36 1.938 9.685 -2.215 1.00 0.00 C ATOM 567 CD GLU A 36 1.791 9.896 -3.709 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.827 9.989 -4.400 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.639 9.969 -4.188 1.00 0.00 O ATOM 0 H GLU A 36 3.883 6.668 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 36 2.365 8.831 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.463 8.188 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.861 7.563 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.980 9.872 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.645 10.413 -1.817 1.00 0.00 H new ATOM 576 N LEU A 37 0.721 6.058 -0.190 1.00 0.00 N ATOM 577 CA LEU A 37 -0.555 5.383 0.011 1.00 0.00 C ATOM 578 C LEU A 37 -1.017 5.482 1.464 1.00 0.00 C ATOM 579 O LEU A 37 -2.202 5.680 1.734 1.00 0.00 O ATOM 580 CB LEU A 37 -0.429 3.912 -0.407 1.00 0.00 C ATOM 581 CG LEU A 37 -1.573 2.992 0.033 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.924 3.669 -0.159 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.519 1.678 -0.735 1.00 0.00 C ATOM 0 H LEU A 37 1.503 5.428 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.305 5.876 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.350 3.868 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.504 3.518 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.451 2.781 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.718 2.994 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.962 4.581 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.061 3.917 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.337 1.034 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.613 1.876 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.568 1.182 -0.540 1.00 0.00 H new ATOM 595 N LYS A 38 -0.081 5.332 2.395 1.00 0.00 N ATOM 596 CA LYS A 38 -0.400 5.394 3.819 1.00 0.00 C ATOM 597 C LYS A 38 -0.965 6.759 4.210 1.00 0.00 C ATOM 598 O LYS A 38 -2.075 6.852 4.734 1.00 0.00 O ATOM 599 CB LYS A 38 0.847 5.092 4.654 1.00 0.00 C ATOM 600 CG LYS A 38 1.100 3.607 4.857 1.00 0.00 C ATOM 601 CD LYS A 38 1.717 3.327 6.219 1.00 0.00 C ATOM 602 CE LYS A 38 3.211 3.065 6.111 1.00 0.00 C ATOM 603 NZ LYS A 38 3.808 2.702 7.425 1.00 0.00 N ATOM 0 H LYS A 38 0.905 5.167 2.191 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.163 4.642 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.716 5.537 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.746 5.571 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.161 3.061 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.763 3.239 4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.542 4.176 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.227 2.465 6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.388 2.260 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.708 3.953 5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.827 2.532 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.662 3.480 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.352 1.840 7.787 1.00 0.00 H new ATOM 617 N LYS A 39 -0.190 7.811 3.964 1.00 0.00 N ATOM 618 CA LYS A 39 -0.607 9.170 4.297 1.00 0.00 C ATOM 619 C LYS A 39 -2.000 9.477 3.757 1.00 0.00 C ATOM 620 O LYS A 39 -2.727 10.296 4.320 1.00 0.00 O ATOM 621 CB LYS A 39 0.399 10.182 3.744 1.00 0.00 C ATOM 622 CG LYS A 39 0.474 10.199 2.226 1.00 0.00 C ATOM 623 CD LYS A 39 1.619 11.070 1.735 1.00 0.00 C ATOM 624 CE LYS A 39 1.194 12.522 1.580 1.00 0.00 C ATOM 625 NZ LYS A 39 1.585 13.078 0.256 1.00 0.00 N ATOM 0 H LYS A 39 0.733 7.748 3.534 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.641 9.249 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.131 11.178 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.387 9.956 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.604 9.182 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.467 10.569 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.451 11.007 2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.980 10.692 0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.113 12.599 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.646 13.119 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.277 14.069 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.618 13.029 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.133 12.525 -0.500 1.00 0.00 H new ATOM 639 N LYS A 40 -2.369 8.819 2.665 1.00 0.00 N ATOM 640 CA LYS A 40 -3.677 9.028 2.056 1.00 0.00 C ATOM 641 C LYS A 40 -4.784 8.460 2.938 1.00 0.00 C ATOM 642 O LYS A 40 -5.914 8.945 2.920 1.00 0.00 O ATOM 643 CB LYS A 40 -3.730 8.383 0.670 1.00 0.00 C ATOM 644 CG LYS A 40 -4.865 8.899 -0.199 1.00 0.00 C ATOM 645 CD LYS A 40 -4.394 10.002 -1.134 1.00 0.00 C ATOM 646 CE LYS A 40 -4.845 11.372 -0.651 1.00 0.00 C ATOM 647 NZ LYS A 40 -3.747 12.108 0.035 1.00 0.00 N ATOM 0 H LYS A 40 -1.782 8.137 2.184 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.834 10.102 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.783 8.560 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.833 7.304 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.280 8.078 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.668 9.276 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.307 9.980 -1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.783 9.822 -2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.200 11.957 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.687 11.257 0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.142 12.675 0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.059 11.428 0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.272 12.736 -0.645 1.00 0.00 H new ATOM 661 N ILE A 41 -4.453 7.432 3.713 1.00 0.00 N ATOM 662 CA ILE A 41 -5.425 6.811 4.606 1.00 0.00 C ATOM 663 C ILE A 41 -5.654 7.680 5.836 1.00 0.00 C ATOM 664 O ILE A 41 -6.745 7.689 6.407 1.00 0.00 O ATOM 665 CB ILE A 41 -4.970 5.407 5.056 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.379 4.632 3.875 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.140 4.648 5.671 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.976 3.213 4.216 1.00 0.00 C ATOM 0 H ILE A 41 -3.524 7.013 3.741 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.356 6.712 4.047 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.193 5.515 5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.109 4.608 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.507 5.168 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.807 3.659 5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.515 5.196 6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.936 4.546 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.566 2.728 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.222 3.228 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.849 2.660 4.561 1.00 0.00 H new ATOM 680 N GLU A 42 -4.622 8.418 6.234 1.00 0.00 N ATOM 681 CA GLU A 42 -4.714 9.301 7.390 1.00 0.00 C ATOM 682 C GLU A 42 -5.643 10.472 7.087 1.00 0.00 C ATOM 683 O GLU A 42 -6.345 10.966 7.969 1.00 0.00 O ATOM 684 CB GLU A 42 -3.328 9.817 7.779 1.00 0.00 C ATOM 685 CG GLU A 42 -2.659 8.998 8.870 1.00 0.00 C ATOM 686 CD GLU A 42 -1.159 9.216 8.927 1.00 0.00 C ATOM 687 OE1 GLU A 42 -0.560 9.495 7.866 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.585 9.108 10.030 1.00 0.00 O ATOM 0 H GLU A 42 -3.712 8.421 5.772 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.123 8.734 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.690 9.821 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.415 10.851 8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.097 9.257 9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.862 7.940 8.702 1.00 0.00 H new ATOM 695 N GLU A 43 -5.643 10.903 5.829 1.00 0.00 N ATOM 696 CA GLU A 43 -6.489 12.009 5.399 1.00 0.00 C ATOM 697 C GLU A 43 -7.943 11.555 5.293 1.00 0.00 C ATOM 698 O GLU A 43 -8.870 12.339 5.501 1.00 0.00 O ATOM 699 CB GLU A 43 -6.000 12.562 4.053 1.00 0.00 C ATOM 700 CG GLU A 43 -6.339 11.689 2.852 1.00 0.00 C ATOM 701 CD GLU A 43 -7.125 12.435 1.791 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.941 13.665 1.671 1.00 0.00 O ATOM 703 OE2 GLU A 43 -7.923 11.790 1.078 1.00 0.00 O ATOM 0 H GLU A 43 -5.066 10.502 5.090 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.428 12.804 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.433 13.551 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.919 12.691 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.417 11.307 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.915 10.826 3.186 1.00 0.00 H new ATOM 710 N LEU A 44 -8.125 10.281 4.969 1.00 0.00 N ATOM 711 CA LEU A 44 -9.452 9.697 4.830 1.00 0.00 C ATOM 712 C LEU A 44 -10.220 9.775 6.146 1.00 0.00 C ATOM 713 O LEU A 44 -9.651 10.089 7.190 1.00 0.00 O ATOM 714 CB LEU A 44 -9.334 8.240 4.376 1.00 0.00 C ATOM 715 CG LEU A 44 -9.229 8.039 2.864 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.186 6.556 2.524 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.394 8.716 2.156 1.00 0.00 C ATOM 0 H LEU A 44 -7.361 9.627 4.796 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.002 10.264 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.456 7.799 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.202 7.690 4.741 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.302 8.497 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.111 6.432 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.320 6.098 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.096 6.074 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.304 8.564 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.332 8.286 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.381 9.784 2.373 1.00 0.00 H new ATOM 757 N GLU A 49 -14.944 7.095 -0.137 1.00 0.00 N ATOM 758 CA GLU A 49 -13.660 7.159 -0.826 1.00 0.00 C ATOM 759 C GLU A 49 -12.802 5.934 -0.513 1.00 0.00 C ATOM 760 O GLU A 49 -11.816 5.668 -1.198 1.00 0.00 O ATOM 761 CB GLU A 49 -12.913 8.432 -0.430 1.00 0.00 C ATOM 762 CG GLU A 49 -11.697 8.715 -1.293 1.00 0.00 C ATOM 763 CD GLU A 49 -11.971 9.750 -2.366 1.00 0.00 C ATOM 764 OE1 GLU A 49 -11.879 10.959 -2.064 1.00 0.00 O ATOM 765 OE2 GLU A 49 -12.279 9.352 -3.509 1.00 0.00 O ATOM 0 HA GLU A 49 -13.855 7.173 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.597 9.279 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.599 8.350 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.880 9.061 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.366 7.789 -1.763 1.00 0.00 H new ATOM 772 N VAL A 50 -13.180 5.192 0.525 1.00 0.00 N ATOM 773 CA VAL A 50 -12.441 4.000 0.923 1.00 0.00 C ATOM 774 C VAL A 50 -12.363 2.981 -0.212 1.00 0.00 C ATOM 775 O VAL A 50 -11.517 2.087 -0.196 1.00 0.00 O ATOM 776 CB VAL A 50 -13.081 3.328 2.153 1.00 0.00 C ATOM 777 CG1 VAL A 50 -12.197 2.203 2.670 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.343 4.353 3.245 1.00 0.00 C ATOM 0 H VAL A 50 -13.994 5.396 1.105 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.433 4.330 1.175 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.036 2.898 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.666 1.741 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.065 1.455 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.225 2.606 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.795 3.860 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.402 4.815 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.020 5.120 2.869 1.00 0.00 H new ATOM 788 N LYS A 51 -13.251 3.115 -1.195 1.00 0.00 N ATOM 789 CA LYS A 51 -13.277 2.200 -2.330 1.00 0.00 C ATOM 790 C LYS A 51 -12.123 2.479 -3.291 1.00 0.00 C ATOM 791 O LYS A 51 -11.633 1.573 -3.965 1.00 0.00 O ATOM 792 CB LYS A 51 -14.613 2.313 -3.068 1.00 0.00 C ATOM 793 CG LYS A 51 -15.529 1.119 -2.851 1.00 0.00 C ATOM 794 CD LYS A 51 -16.971 1.551 -2.636 1.00 0.00 C ATOM 795 CE LYS A 51 -17.778 0.468 -1.938 1.00 0.00 C ATOM 796 NZ LYS A 51 -17.288 0.214 -0.555 1.00 0.00 N ATOM 0 H LYS A 51 -13.960 3.848 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.163 1.186 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.125 3.218 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.421 2.424 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.472 0.455 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.187 0.549 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.994 2.464 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.429 1.785 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.827 0.763 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.725 -0.454 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.050 -0.210 0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.478 -0.437 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.993 1.112 -0.121 1.00 0.00 H new ATOM 810 N LYS A 52 -11.695 3.737 -3.353 1.00 0.00 N ATOM 811 CA LYS A 52 -10.601 4.129 -4.238 1.00 0.00 C ATOM 812 C LYS A 52 -9.249 3.735 -3.648 1.00 0.00 C ATOM 813 O LYS A 52 -8.479 3.005 -4.272 1.00 0.00 O ATOM 814 CB LYS A 52 -10.644 5.640 -4.490 1.00 0.00 C ATOM 815 CG LYS A 52 -9.428 6.172 -5.231 1.00 0.00 C ATOM 816 CD LYS A 52 -9.712 7.519 -5.876 1.00 0.00 C ATOM 817 CE LYS A 52 -8.513 8.450 -5.779 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.300 9.214 -7.039 1.00 0.00 N ATOM 0 H LYS A 52 -12.088 4.501 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.725 3.603 -5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.540 5.878 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.730 6.156 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.592 6.269 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.126 5.457 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.976 7.373 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.572 7.981 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.660 9.146 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.619 7.869 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.474 9.837 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.135 8.551 -7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.142 9.789 -7.243 1.00 0.00 H new ATOM 832 N VAL A 53 -8.968 4.223 -2.444 1.00 0.00 N ATOM 833 CA VAL A 53 -7.710 3.923 -1.769 1.00 0.00 C ATOM 834 C VAL A 53 -7.514 2.420 -1.606 1.00 0.00 C ATOM 835 O VAL A 53 -6.387 1.939 -1.516 1.00 0.00 O ATOM 836 CB VAL A 53 -7.646 4.590 -0.381 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.248 4.471 0.207 1.00 0.00 C ATOM 838 CG2 VAL A 53 -8.074 6.047 -0.467 1.00 0.00 C ATOM 0 H VAL A 53 -9.595 4.829 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.913 4.323 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.338 4.071 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.224 4.948 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.985 3.418 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.533 4.961 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.022 6.500 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.410 6.582 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.097 6.104 -0.839 1.00 0.00 H new ATOM 848 N GLU A 54 -8.619 1.680 -1.571 1.00 0.00 N ATOM 849 CA GLU A 54 -8.562 0.231 -1.423 1.00 0.00 C ATOM 850 C GLU A 54 -7.911 -0.406 -2.644 1.00 0.00 C ATOM 851 O GLU A 54 -7.193 -1.400 -2.532 1.00 0.00 O ATOM 852 CB GLU A 54 -9.966 -0.339 -1.219 1.00 0.00 C ATOM 853 CG GLU A 54 -10.359 -0.480 0.242 1.00 0.00 C ATOM 854 CD GLU A 54 -10.013 -1.843 0.809 1.00 0.00 C ATOM 855 OE1 GLU A 54 -10.653 -2.835 0.402 1.00 0.00 O ATOM 856 OE2 GLU A 54 -9.103 -1.918 1.661 1.00 0.00 O ATOM 0 H GLU A 54 -9.563 2.060 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.958 -0.000 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.687 0.307 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.026 -1.316 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.856 0.291 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.431 -0.309 0.344 1.00 0.00 H new ATOM 863 N GLU A 55 -8.163 0.179 -3.810 1.00 0.00 N ATOM 864 CA GLU A 55 -7.601 -0.321 -5.059 1.00 0.00 C ATOM 865 C GLU A 55 -6.122 0.040 -5.169 1.00 0.00 C ATOM 866 O GLU A 55 -5.352 -0.655 -5.827 1.00 0.00 O ATOM 867 CB GLU A 55 -8.370 0.249 -6.252 1.00 0.00 C ATOM 868 CG GLU A 55 -7.858 -0.239 -7.596 1.00 0.00 C ATOM 869 CD GLU A 55 -8.977 -0.607 -8.549 1.00 0.00 C ATOM 870 OE1 GLU A 55 -9.466 0.291 -9.267 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.367 -1.794 -8.578 1.00 0.00 O ATOM 0 H GLU A 55 -8.755 1.003 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.693 -1.407 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.423 -0.017 -6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.312 1.337 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.241 0.537 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.217 -1.107 -7.443 1.00 0.00 H new ATOM 878 N GLU A 56 -5.738 1.137 -4.522 1.00 0.00 N ATOM 879 CA GLU A 56 -4.355 1.600 -4.545 1.00 0.00 C ATOM 880 C GLU A 56 -3.445 0.654 -3.764 1.00 0.00 C ATOM 881 O GLU A 56 -2.267 0.501 -4.086 1.00 0.00 O ATOM 882 CB GLU A 56 -4.267 3.011 -3.959 1.00 0.00 C ATOM 883 CG GLU A 56 -4.638 4.104 -4.947 1.00 0.00 C ATOM 884 CD GLU A 56 -4.548 5.492 -4.344 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.570 5.602 -3.099 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.454 6.470 -5.116 1.00 0.00 O ATOM 0 H GLU A 56 -6.368 1.723 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.019 1.617 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.925 3.077 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.252 3.185 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.978 4.045 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.653 3.934 -5.307 1.00 0.00 H new ATOM 893 N VAL A 57 -4.003 0.021 -2.737 1.00 0.00 N ATOM 894 CA VAL A 57 -3.250 -0.911 -1.904 1.00 0.00 C ATOM 895 C VAL A 57 -3.199 -2.297 -2.536 1.00 0.00 C ATOM 896 O VAL A 57 -2.287 -3.077 -2.269 1.00 0.00 O ATOM 897 CB VAL A 57 -3.861 -1.030 -0.493 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.903 -1.747 0.445 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.231 0.343 0.053 1.00 0.00 C ATOM 0 H VAL A 57 -4.978 0.137 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.239 -0.511 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.774 -1.621 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.351 -1.821 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.700 -2.747 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.970 -1.187 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.660 0.235 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.338 0.965 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.960 0.813 -0.607 1.00 0.00 H new ATOM 909 N LYS A 58 -4.193 -2.599 -3.362 1.00 0.00 N ATOM 910 CA LYS A 58 -4.278 -3.892 -4.029 1.00 0.00 C ATOM 911 C LYS A 58 -3.274 -4.000 -5.175 1.00 0.00 C ATOM 912 O LYS A 58 -2.846 -5.096 -5.529 1.00 0.00 O ATOM 913 CB LYS A 58 -5.696 -4.123 -4.556 1.00 0.00 C ATOM 914 CG LYS A 58 -6.454 -5.207 -3.807 1.00 0.00 C ATOM 915 CD LYS A 58 -7.346 -4.618 -2.727 1.00 0.00 C ATOM 916 CE LYS A 58 -7.971 -5.705 -1.866 1.00 0.00 C ATOM 917 NZ LYS A 58 -8.893 -6.572 -2.651 1.00 0.00 N ATOM 0 H LYS A 58 -4.956 -1.961 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.035 -4.660 -3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.255 -3.190 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.643 -4.391 -5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.060 -5.780 -4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.746 -5.902 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.762 -3.945 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.132 -4.021 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.184 -6.317 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.517 -5.246 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.350 -7.257 -2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.620 -5.983 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.354 -7.082 -3.380 1.00 0.00 H new ATOM 931 N LYS A 59 -2.922 -2.865 -5.770 1.00 0.00 N ATOM 932 CA LYS A 59 -1.986 -2.849 -6.893 1.00 0.00 C ATOM 933 C LYS A 59 -0.544 -3.048 -6.436 1.00 0.00 C ATOM 934 O LYS A 59 0.233 -3.731 -7.101 1.00 0.00 O ATOM 935 CB LYS A 59 -2.101 -1.534 -7.666 1.00 0.00 C ATOM 936 CG LYS A 59 -1.261 -1.499 -8.935 1.00 0.00 C ATOM 937 CD LYS A 59 -0.095 -0.528 -8.813 1.00 0.00 C ATOM 938 CE LYS A 59 0.332 0.000 -10.173 1.00 0.00 C ATOM 939 NZ LYS A 59 0.935 1.358 -10.078 1.00 0.00 N ATOM 0 H LYS A 59 -3.269 -1.946 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.252 -3.681 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.146 -1.365 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.798 -0.713 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.881 -2.498 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.888 -1.210 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.379 0.305 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.747 -1.027 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.052 -0.686 -10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.532 0.032 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.213 1.682 -11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.240 2.019 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.774 1.323 -9.465 1.00 0.00 H new ATOM 953 N LEU A 60 -0.179 -2.438 -5.311 1.00 0.00 N ATOM 954 CA LEU A 60 1.183 -2.553 -4.798 1.00 0.00 C ATOM 955 C LEU A 60 1.414 -3.888 -4.102 1.00 0.00 C ATOM 956 O LEU A 60 2.545 -4.360 -4.017 1.00 0.00 O ATOM 957 CB LEU A 60 1.498 -1.410 -3.837 1.00 0.00 C ATOM 958 CG LEU A 60 2.988 -1.088 -3.711 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.232 0.404 -3.854 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.537 -1.600 -2.388 1.00 0.00 C ATOM 0 H LEU A 60 -0.801 -1.864 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 60 1.853 -2.496 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.971 -0.515 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.108 -1.662 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 60 3.515 -1.595 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.299 0.609 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.882 0.738 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.691 0.938 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.598 -1.361 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.003 -1.126 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.404 -2.680 -2.333 1.00 0.00 H new ATOM 972 N GLU A 61 0.346 -4.490 -3.602 1.00 0.00 N ATOM 973 CA GLU A 61 0.445 -5.770 -2.915 1.00 0.00 C ATOM 974 C GLU A 61 0.762 -6.889 -3.902 1.00 0.00 C ATOM 975 O GLU A 61 1.711 -7.649 -3.716 1.00 0.00 O ATOM 976 CB GLU A 61 -0.863 -6.070 -2.183 1.00 0.00 C ATOM 977 CG GLU A 61 -0.665 -6.618 -0.781 1.00 0.00 C ATOM 978 CD GLU A 61 -1.706 -7.653 -0.406 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.925 -8.591 -1.201 1.00 0.00 O ATOM 980 OE2 GLU A 61 -2.305 -7.525 0.683 1.00 0.00 O ATOM 0 H GLU A 61 -0.600 -4.113 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 61 1.256 -5.712 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.455 -5.157 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.439 -6.788 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.327 -7.063 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.701 -5.796 -0.066 1.00 0.00 H new ATOM 987 N GLU A 62 -0.044 -6.978 -4.953 1.00 0.00 N ATOM 988 CA GLU A 62 0.132 -7.995 -5.981 1.00 0.00 C ATOM 989 C GLU A 62 1.428 -7.777 -6.758 1.00 0.00 C ATOM 990 O GLU A 62 2.007 -8.721 -7.296 1.00 0.00 O ATOM 991 CB GLU A 62 -1.059 -7.974 -6.941 1.00 0.00 C ATOM 992 CG GLU A 62 -1.500 -9.355 -7.390 1.00 0.00 C ATOM 993 CD GLU A 62 -2.833 -9.336 -8.112 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.990 -8.520 -9.046 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.719 -10.135 -7.745 1.00 0.00 O ATOM 0 H GLU A 62 -0.833 -6.352 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 62 0.189 -8.967 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.897 -7.473 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.798 -7.382 -7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.741 -9.779 -8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.571 -10.010 -6.522 1.00 0.00 H new ATOM 1002 N GLU A 63 1.876 -6.527 -6.816 1.00 0.00 N ATOM 1003 CA GLU A 63 3.099 -6.183 -7.532 1.00 0.00 C ATOM 1004 C GLU A 63 4.308 -6.889 -6.922 1.00 0.00 C ATOM 1005 O GLU A 63 5.031 -7.608 -7.611 1.00 0.00 O ATOM 1006 CB GLU A 63 3.308 -4.667 -7.519 1.00 0.00 C ATOM 1007 CG GLU A 63 3.412 -4.057 -8.908 1.00 0.00 C ATOM 1008 CD GLU A 63 4.784 -4.246 -9.525 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.787 -4.107 -8.795 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.855 -4.531 -10.739 1.00 0.00 O ATOM 0 H GLU A 63 1.409 -5.734 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 63 2.996 -6.519 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.480 -4.199 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.216 -4.438 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.661 -4.508 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.186 -2.992 -8.851 1.00 0.00 H new ATOM 1017 N ILE A 64 4.519 -6.679 -5.626 1.00 0.00 N ATOM 1018 CA ILE A 64 5.636 -7.294 -4.921 1.00 0.00 C ATOM 1019 C ILE A 64 5.606 -8.814 -5.066 1.00 0.00 C ATOM 1020 O ILE A 64 6.642 -9.475 -4.997 1.00 0.00 O ATOM 1021 CB ILE A 64 5.623 -6.931 -3.422 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.494 -5.415 -3.240 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.883 -7.445 -2.740 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.503 -4.977 -1.791 1.00 0.00 C ATOM 0 H ILE A 64 3.929 -6.086 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 64 6.549 -6.906 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 64 4.760 -7.409 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.313 -4.923 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.568 -5.079 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.858 -7.181 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.935 -8.529 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.759 -6.994 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.408 -3.892 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.668 -5.440 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.440 -5.282 -1.324 1.00 0.00 H new ATOM 1036 N LYS A 65 4.412 -9.361 -5.268 1.00 0.00 N ATOM 1037 CA LYS A 65 4.250 -10.801 -5.424 1.00 0.00 C ATOM 1038 C LYS A 65 5.008 -11.302 -6.649 1.00 0.00 C ATOM 1039 O LYS A 65 5.538 -12.413 -6.652 1.00 0.00 O ATOM 1040 CB LYS A 65 2.766 -11.160 -5.540 1.00 0.00 C ATOM 1041 CG LYS A 65 2.223 -11.897 -4.327 1.00 0.00 C ATOM 1042 CD LYS A 65 1.363 -10.991 -3.462 1.00 0.00 C ATOM 1043 CE LYS A 65 1.590 -11.256 -1.982 1.00 0.00 C ATOM 1044 NZ LYS A 65 0.320 -11.201 -1.207 1.00 0.00 N ATOM 0 H LYS A 65 3.544 -8.829 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 65 4.663 -11.288 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.190 -10.246 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.618 -11.777 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.635 -12.754 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.052 -12.286 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.591 -9.949 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.311 -11.146 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.051 -12.236 -1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.290 -10.521 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.518 -11.387 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.107 -10.258 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.339 -11.920 -1.569 1.00 0.00 H new ATOM 1058 N LYS A 66 5.058 -10.472 -7.686 1.00 0.00 N ATOM 1059 CA LYS A 66 5.754 -10.830 -8.915 1.00 0.00 C ATOM 1060 C LYS A 66 7.256 -10.924 -8.673 1.00 0.00 C ATOM 1061 O LYS A 66 7.864 -11.976 -8.875 1.00 0.00 O ATOM 1062 CB LYS A 66 5.466 -9.800 -10.010 1.00 0.00 C ATOM 1063 CG LYS A 66 4.259 -10.145 -10.868 1.00 0.00 C ATOM 1064 CD LYS A 66 4.658 -10.952 -12.094 1.00 0.00 C ATOM 1065 CE LYS A 66 3.960 -10.445 -13.347 1.00 0.00 C ATOM 1066 NZ LYS A 66 4.788 -10.654 -14.566 1.00 0.00 N ATOM 0 H LYS A 66 4.625 -9.548 -7.699 1.00 0.00 H new ATOM 0 HA LYS A 66 5.391 -11.804 -9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.306 -8.826 -9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.343 -9.709 -10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.541 -10.712 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.760 -9.228 -11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.738 -10.898 -12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.409 -12.001 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.006 -10.958 -13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.739 -9.383 -13.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.277 -10.295 -15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.689 -10.143 -14.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.977 -11.669 -14.687 1.00 0.00 H new