USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=7 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+ 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+ -128:sc= 0.837 (180deg=-0.341) 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+ 153:sc= -1.01 (180deg=-1.29) USER MOD Single : A 34 CYS SG : rot -170:sc= -2.96 USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.07) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.257) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -177:sc= -0.0174 (180deg=-0.0303) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.015) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.043 -1.446 6.969 1.00 0.00 N ATOM 94 CA LEU A 7 -6.260 -1.082 5.795 1.00 0.00 C ATOM 95 C LEU A 7 -4.888 -0.544 6.194 1.00 0.00 C ATOM 96 O LEU A 7 -3.914 -0.687 5.455 1.00 0.00 O ATOM 97 CB LEU A 7 -7.010 -0.035 4.969 1.00 0.00 C ATOM 98 CG LEU A 7 -6.906 -0.205 3.453 1.00 0.00 C ATOM 99 CD1 LEU A 7 -7.999 0.587 2.752 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.531 0.224 2.961 1.00 0.00 C ATOM 0 HA LEU A 7 -6.113 -1.979 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.063 -0.060 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.633 0.952 5.235 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.041 -1.260 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.910 0.454 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.975 0.231 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.897 1.644 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.475 0.096 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.366 1.272 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.766 -0.388 3.439 1.00 0.00 H new ATOM 112 N GLU A 8 -4.820 0.084 7.365 1.00 0.00 N ATOM 113 CA GLU A 8 -3.570 0.651 7.859 1.00 0.00 C ATOM 114 C GLU A 8 -2.602 -0.441 8.306 1.00 0.00 C ATOM 115 O GLU A 8 -1.388 -0.293 8.181 1.00 0.00 O ATOM 116 CB GLU A 8 -3.847 1.608 9.020 1.00 0.00 C ATOM 117 CG GLU A 8 -4.474 2.924 8.587 1.00 0.00 C ATOM 118 CD GLU A 8 -4.865 3.798 9.761 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.829 3.441 10.472 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.208 4.839 9.971 1.00 0.00 O ATOM 0 H GLU A 8 -5.617 0.213 7.989 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.106 1.201 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.508 1.118 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.912 1.814 9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.771 3.466 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.357 2.720 7.981 1.00 0.00 H new ATOM 127 N GLU A 9 -3.146 -1.534 8.831 1.00 0.00 N ATOM 128 CA GLU A 9 -2.326 -2.648 9.300 1.00 0.00 C ATOM 129 C GLU A 9 -1.814 -3.497 8.136 1.00 0.00 C ATOM 130 O GLU A 9 -0.855 -4.254 8.284 1.00 0.00 O ATOM 131 CB GLU A 9 -3.121 -3.519 10.278 1.00 0.00 C ATOM 132 CG GLU A 9 -4.246 -4.309 9.628 1.00 0.00 C ATOM 133 CD GLU A 9 -4.363 -5.716 10.179 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.314 -6.335 10.455 1.00 0.00 O ATOM 135 OE2 GLU A 9 -5.505 -6.199 10.334 1.00 0.00 O ATOM 0 H GLU A 9 -4.150 -1.673 8.943 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.461 -2.229 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.438 -4.214 10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.541 -2.883 11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.189 -3.784 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.077 -4.357 8.552 1.00 0.00 H new ATOM 142 N LYS A 10 -2.470 -3.382 6.985 1.00 0.00 N ATOM 143 CA LYS A 10 -2.091 -4.152 5.805 1.00 0.00 C ATOM 144 C LYS A 10 -0.882 -3.547 5.092 1.00 0.00 C ATOM 145 O LYS A 10 0.018 -4.267 4.660 1.00 0.00 O ATOM 146 CB LYS A 10 -3.275 -4.239 4.839 1.00 0.00 C ATOM 147 CG LYS A 10 -3.924 -5.613 4.794 1.00 0.00 C ATOM 148 CD LYS A 10 -4.509 -5.908 3.422 1.00 0.00 C ATOM 149 CE LYS A 10 -5.992 -5.579 3.365 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.245 -4.271 2.700 1.00 0.00 N ATOM 0 H LYS A 10 -3.268 -2.762 6.844 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.812 -5.152 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.024 -3.502 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.936 -3.973 3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.186 -6.374 5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.711 -5.670 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.978 -5.329 2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.359 -6.960 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.518 -6.368 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.398 -5.557 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.268 -4.083 2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.764 -3.515 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.880 -4.300 1.726 1.00 0.00 H new ATOM 164 N VAL A 11 -0.877 -2.225 4.952 1.00 0.00 N ATOM 165 CA VAL A 11 0.212 -1.531 4.269 1.00 0.00 C ATOM 166 C VAL A 11 1.457 -1.413 5.141 1.00 0.00 C ATOM 167 O VAL A 11 2.575 -1.370 4.632 1.00 0.00 O ATOM 168 CB VAL A 11 -0.213 -0.121 3.813 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.844 0.492 2.906 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.566 -0.168 3.115 1.00 0.00 C ATOM 0 H VAL A 11 -1.614 -1.612 5.302 1.00 0.00 H new ATOM 0 HA VAL A 11 0.452 -2.138 3.396 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.308 0.511 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.524 1.487 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.788 0.566 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.978 -0.137 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.848 0.837 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.502 -0.817 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.317 -0.558 3.803 1.00 0.00 H new ATOM 180 N LYS A 12 1.258 -1.357 6.447 1.00 0.00 N ATOM 181 CA LYS A 12 2.373 -1.240 7.383 1.00 0.00 C ATOM 182 C LYS A 12 3.270 -2.468 7.292 1.00 0.00 C ATOM 183 O LYS A 12 4.491 -2.370 7.406 1.00 0.00 O ATOM 184 CB LYS A 12 1.862 -1.057 8.816 1.00 0.00 C ATOM 185 CG LYS A 12 1.222 -2.303 9.404 1.00 0.00 C ATOM 186 CD LYS A 12 1.017 -2.167 10.905 1.00 0.00 C ATOM 187 CE LYS A 12 1.238 -3.490 11.619 1.00 0.00 C ATOM 188 NZ LYS A 12 0.246 -3.706 12.709 1.00 0.00 N ATOM 0 H LYS A 12 0.338 -1.390 6.887 1.00 0.00 H new ATOM 0 HA LYS A 12 2.956 -0.360 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.693 -0.753 9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.135 -0.245 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.263 -2.484 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.852 -3.169 9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.704 -1.419 11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.007 -1.809 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.170 -4.306 10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.245 -3.514 12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.431 -4.619 13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.327 -2.941 13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.714 -3.709 12.309 1.00 0.00 H new ATOM 202 N ALA A 13 2.653 -3.621 7.056 1.00 0.00 N ATOM 203 CA ALA A 13 3.395 -4.867 6.915 1.00 0.00 C ATOM 204 C ALA A 13 3.953 -4.969 5.503 1.00 0.00 C ATOM 205 O ALA A 13 4.974 -5.610 5.258 1.00 0.00 O ATOM 206 CB ALA A 13 2.501 -6.059 7.227 1.00 0.00 C ATOM 0 H ALA A 13 1.642 -3.718 6.959 1.00 0.00 H new ATOM 0 HA ALA A 13 4.222 -4.873 7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.072 -6.981 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.133 -5.980 8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.656 -6.071 6.538 1.00 0.00 H new ATOM 212 N LEU A 14 3.261 -4.306 4.582 1.00 0.00 N ATOM 213 CA LEU A 14 3.644 -4.272 3.183 1.00 0.00 C ATOM 214 C LEU A 14 5.003 -3.593 3.008 1.00 0.00 C ATOM 215 O LEU A 14 5.716 -3.848 2.037 1.00 0.00 O ATOM 216 CB LEU A 14 2.569 -3.518 2.400 1.00 0.00 C ATOM 217 CG LEU A 14 2.451 -3.875 0.920 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.022 -3.662 0.447 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.417 -3.048 0.088 1.00 0.00 C ATOM 0 H LEU A 14 2.415 -3.776 4.791 1.00 0.00 H new ATOM 0 HA LEU A 14 3.732 -5.291 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.605 -3.699 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.769 -2.450 2.482 1.00 0.00 H new ATOM 0 HG LEU A 14 2.711 -4.926 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.946 -3.919 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.349 -4.297 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.744 -2.617 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.316 -3.319 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.191 -1.989 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.438 -3.242 0.416 1.00 0.00 H new ATOM 231 N GLU A 15 5.347 -2.725 3.954 1.00 0.00 N ATOM 232 CA GLU A 15 6.609 -1.996 3.916 1.00 0.00 C ATOM 233 C GLU A 15 7.775 -2.888 4.338 1.00 0.00 C ATOM 234 O GLU A 15 8.827 -2.892 3.698 1.00 0.00 O ATOM 235 CB GLU A 15 6.525 -0.764 4.825 1.00 0.00 C ATOM 236 CG GLU A 15 7.858 -0.071 5.054 1.00 0.00 C ATOM 237 CD GLU A 15 7.712 1.237 5.808 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.807 2.024 5.462 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.504 1.473 6.745 1.00 0.00 O ATOM 0 H GLU A 15 4.764 -2.508 4.762 1.00 0.00 H new ATOM 0 HA GLU A 15 6.789 -1.675 2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.827 -0.050 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.113 -1.064 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.518 -0.736 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.335 0.119 4.092 1.00 0.00 H new ATOM 246 N GLU A 16 7.583 -3.639 5.417 1.00 0.00 N ATOM 247 CA GLU A 16 8.623 -4.531 5.921 1.00 0.00 C ATOM 248 C GLU A 16 9.143 -5.449 4.818 1.00 0.00 C ATOM 249 O GLU A 16 10.298 -5.871 4.841 1.00 0.00 O ATOM 250 CB GLU A 16 8.086 -5.367 7.083 1.00 0.00 C ATOM 251 CG GLU A 16 7.749 -4.547 8.319 1.00 0.00 C ATOM 252 CD GLU A 16 8.821 -4.636 9.387 1.00 0.00 C ATOM 253 OE1 GLU A 16 9.902 -4.039 9.195 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.580 -5.301 10.416 1.00 0.00 O ATOM 0 H GLU A 16 6.719 -3.649 5.959 1.00 0.00 H new ATOM 0 HA GLU A 16 9.451 -3.916 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.192 -5.898 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.826 -6.122 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.612 -3.504 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.801 -4.891 8.732 1.00 0.00 H new ATOM 261 N LYS A 17 8.280 -5.753 3.854 1.00 0.00 N ATOM 262 CA LYS A 17 8.648 -6.622 2.742 1.00 0.00 C ATOM 263 C LYS A 17 9.517 -5.883 1.727 1.00 0.00 C ATOM 264 O LYS A 17 10.532 -6.408 1.269 1.00 0.00 O ATOM 265 CB LYS A 17 7.391 -7.161 2.057 1.00 0.00 C ATOM 266 CG LYS A 17 7.539 -8.588 1.551 1.00 0.00 C ATOM 267 CD LYS A 17 6.365 -9.456 1.975 1.00 0.00 C ATOM 268 CE LYS A 17 6.699 -10.280 3.208 1.00 0.00 C ATOM 269 NZ LYS A 17 5.623 -11.258 3.530 1.00 0.00 N ATOM 0 H LYS A 17 7.320 -5.410 3.821 1.00 0.00 H new ATOM 0 HA LYS A 17 9.226 -7.455 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.558 -7.117 2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.137 -6.512 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.615 -8.583 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.466 -9.016 1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.500 -8.825 2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.088 -10.120 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.637 -10.812 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.852 -9.615 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.889 -11.800 4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.734 -10.749 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.494 -11.909 2.729 1.00 0.00 H new ATOM 283 N VAL A 18 9.110 -4.668 1.374 1.00 0.00 N ATOM 284 CA VAL A 18 9.851 -3.865 0.405 1.00 0.00 C ATOM 285 C VAL A 18 11.170 -3.368 0.983 1.00 0.00 C ATOM 286 O VAL A 18 12.227 -3.537 0.375 1.00 0.00 O ATOM 287 CB VAL A 18 9.037 -2.649 -0.071 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.608 -2.103 -1.371 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.567 -3.010 -0.237 1.00 0.00 C ATOM 0 H VAL A 18 8.273 -4.218 1.743 1.00 0.00 H new ATOM 0 HA VAL A 18 10.048 -4.520 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 18 9.108 -1.872 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.021 -1.243 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.642 -1.797 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.571 -2.877 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.013 -2.134 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.469 -3.807 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.165 -3.348 0.718 1.00 0.00 H new ATOM 299 N LYS A 19 11.104 -2.748 2.158 1.00 0.00 N ATOM 300 CA LYS A 19 12.296 -2.217 2.811 1.00 0.00 C ATOM 301 C LYS A 19 13.406 -3.265 2.881 1.00 0.00 C ATOM 302 O LYS A 19 14.590 -2.930 2.847 1.00 0.00 O ATOM 303 CB LYS A 19 11.956 -1.725 4.219 1.00 0.00 C ATOM 304 CG LYS A 19 11.204 -0.404 4.235 1.00 0.00 C ATOM 305 CD LYS A 19 11.996 0.686 4.941 1.00 0.00 C ATOM 306 CE LYS A 19 11.455 0.959 6.336 1.00 0.00 C ATOM 307 NZ LYS A 19 11.106 2.395 6.525 1.00 0.00 N ATOM 0 H LYS A 19 10.238 -2.601 2.677 1.00 0.00 H new ATOM 0 HA LYS A 19 12.656 -1.379 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.356 -2.482 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.878 -1.616 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.991 -0.094 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.244 -0.538 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.043 0.390 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.961 1.602 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.571 0.345 6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.198 0.665 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.567 2.754 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.432 2.943 5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.075 2.492 6.619 1.00 0.00 H new ATOM 321 N ALA A 20 13.016 -4.531 2.979 1.00 0.00 N ATOM 322 CA ALA A 20 13.979 -5.624 3.052 1.00 0.00 C ATOM 323 C ALA A 20 14.349 -6.134 1.661 1.00 0.00 C ATOM 324 O ALA A 20 15.317 -6.878 1.500 1.00 0.00 O ATOM 325 CB ALA A 20 13.423 -6.759 3.898 1.00 0.00 C ATOM 0 H ALA A 20 12.040 -4.826 3.010 1.00 0.00 H new ATOM 0 HA ALA A 20 14.886 -5.241 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.151 -7.569 3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.219 -6.396 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.499 -7.127 3.451 1.00 0.00 H new ATOM 331 N LEU A 21 13.574 -5.731 0.659 1.00 0.00 N ATOM 332 CA LEU A 21 13.816 -6.145 -0.715 1.00 0.00 C ATOM 333 C LEU A 21 15.143 -5.592 -1.227 1.00 0.00 C ATOM 334 O LEU A 21 16.095 -6.341 -1.448 1.00 0.00 O ATOM 335 CB LEU A 21 12.668 -5.671 -1.608 1.00 0.00 C ATOM 336 CG LEU A 21 12.164 -6.699 -2.620 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.886 -6.209 -3.288 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.236 -6.994 -3.659 1.00 0.00 C ATOM 0 H LEU A 21 12.769 -5.115 0.776 1.00 0.00 H new ATOM 0 HA LEU A 21 13.870 -7.233 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.835 -5.371 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.993 -4.782 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 21 11.938 -7.624 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.542 -6.954 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.117 -6.052 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.083 -5.270 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.860 -7.728 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.494 -6.076 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.123 -7.390 -3.164 1.00 0.00 H new ATOM 371 N GLY A 25 14.764 -1.205 -10.153 1.00 0.00 N ATOM 372 CA GLY A 25 13.674 -0.792 -11.017 1.00 0.00 C ATOM 373 C GLY A 25 12.314 -1.102 -10.424 1.00 0.00 C ATOM 374 O GLY A 25 11.480 -0.210 -10.268 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.749 0.279 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.769 -1.292 -11.981 1.00 0.00 H new ATOM 378 N ARG A 26 12.089 -2.370 -10.093 1.00 0.00 N ATOM 379 CA ARG A 26 10.820 -2.795 -9.514 1.00 0.00 C ATOM 380 C ARG A 26 10.568 -2.094 -8.183 1.00 0.00 C ATOM 381 O ARG A 26 9.594 -1.361 -8.031 1.00 0.00 O ATOM 382 CB ARG A 26 10.810 -4.313 -9.307 1.00 0.00 C ATOM 383 CG ARG A 26 9.516 -4.990 -9.739 1.00 0.00 C ATOM 384 CD ARG A 26 8.291 -4.337 -9.115 1.00 0.00 C ATOM 385 NE ARG A 26 7.202 -4.183 -10.081 1.00 0.00 N ATOM 386 CZ ARG A 26 6.862 -3.027 -10.651 1.00 0.00 C ATOM 387 NH1 ARG A 26 7.512 -1.907 -10.356 1.00 0.00 N ATOM 388 NH2 ARG A 26 5.864 -2.990 -11.523 1.00 0.00 N ATOM 0 H ARG A 26 12.769 -3.120 -10.216 1.00 0.00 H new ATOM 0 HA ARG A 26 10.025 -2.522 -10.209 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.640 -4.750 -9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.985 -4.526 -8.253 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.433 -4.952 -10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.547 -6.043 -9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.948 -4.939 -8.274 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.564 -3.360 -8.717 1.00 0.00 H new ATOM 0 HE ARG A 26 6.669 -5.015 -10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.281 -1.925 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.242 -1.029 -10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.359 -3.845 -11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.602 -2.107 -11.961 1.00 0.00 H new ATOM 402 N ILE A 27 11.451 -2.337 -7.222 1.00 0.00 N ATOM 403 CA ILE A 27 11.333 -1.746 -5.892 1.00 0.00 C ATOM 404 C ILE A 27 11.140 -0.231 -5.955 1.00 0.00 C ATOM 405 O ILE A 27 10.534 0.358 -5.062 1.00 0.00 O ATOM 406 CB ILE A 27 12.571 -2.062 -5.027 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.789 -3.574 -4.940 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.418 -1.467 -3.634 1.00 0.00 C ATOM 409 CD1 ILE A 27 14.247 -3.970 -4.855 1.00 0.00 C ATOM 0 H ILE A 27 12.263 -2.944 -7.339 1.00 0.00 H new ATOM 0 HA ILE A 27 10.449 -2.191 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 27 13.444 -1.611 -5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.265 -3.959 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.342 -4.048 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.301 -1.701 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.308 -0.385 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.535 -1.888 -3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.326 -5.056 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.773 -3.615 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.694 -3.525 -3.966 1.00 0.00 H new ATOM 421 N GLU A 28 11.675 0.396 -6.996 1.00 0.00 N ATOM 422 CA GLU A 28 11.572 1.846 -7.153 1.00 0.00 C ATOM 423 C GLU A 28 10.117 2.313 -7.234 1.00 0.00 C ATOM 424 O GLU A 28 9.688 3.161 -6.453 1.00 0.00 O ATOM 425 CB GLU A 28 12.334 2.294 -8.403 1.00 0.00 C ATOM 426 CG GLU A 28 13.743 2.781 -8.113 1.00 0.00 C ATOM 427 CD GLU A 28 13.768 3.977 -7.182 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.487 5.100 -7.651 1.00 0.00 O ATOM 429 OE2 GLU A 28 14.068 3.791 -5.983 1.00 0.00 O ATOM 0 H GLU A 28 12.184 -0.074 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 28 12.016 2.303 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.383 1.462 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.776 3.092 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.320 1.969 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.232 3.045 -9.051 1.00 0.00 H new ATOM 436 N GLU A 29 9.367 1.767 -8.187 1.00 0.00 N ATOM 437 CA GLU A 29 7.965 2.144 -8.370 1.00 0.00 C ATOM 438 C GLU A 29 7.147 1.867 -7.114 1.00 0.00 C ATOM 439 O GLU A 29 6.501 2.760 -6.570 1.00 0.00 O ATOM 440 CB GLU A 29 7.363 1.387 -9.558 1.00 0.00 C ATOM 441 CG GLU A 29 5.874 1.638 -9.757 1.00 0.00 C ATOM 442 CD GLU A 29 5.548 2.155 -11.146 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.696 3.374 -11.376 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.146 1.340 -12.002 1.00 0.00 O ATOM 0 H GLU A 29 9.704 1.063 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 29 7.932 3.215 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.894 1.673 -10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.526 0.319 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.327 0.712 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.529 2.358 -9.015 1.00 0.00 H new ATOM 451 N LEU A 30 7.171 0.617 -6.671 1.00 0.00 N ATOM 452 CA LEU A 30 6.429 0.189 -5.491 1.00 0.00 C ATOM 453 C LEU A 30 6.727 1.055 -4.268 1.00 0.00 C ATOM 454 O LEU A 30 5.951 1.071 -3.317 1.00 0.00 O ATOM 455 CB LEU A 30 6.750 -1.270 -5.176 1.00 0.00 C ATOM 456 CG LEU A 30 6.476 -2.245 -6.320 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.113 -3.598 -6.036 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.979 -2.390 -6.545 1.00 0.00 C ATOM 0 H LEU A 30 7.704 -0.128 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 30 5.369 0.300 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.801 -1.345 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.167 -1.577 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 30 6.923 -1.845 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.906 -4.278 -6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.191 -3.477 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.699 -4.009 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.800 -3.088 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.509 -2.768 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.553 -1.419 -6.797 1.00 0.00 H new ATOM 470 N LYS A 31 7.860 1.747 -4.280 1.00 0.00 N ATOM 471 CA LYS A 31 8.260 2.584 -3.151 1.00 0.00 C ATOM 472 C LYS A 31 7.491 3.905 -3.107 1.00 0.00 C ATOM 473 O LYS A 31 6.825 4.207 -2.122 1.00 0.00 O ATOM 474 CB LYS A 31 9.762 2.865 -3.214 1.00 0.00 C ATOM 475 CG LYS A 31 10.285 3.643 -2.017 1.00 0.00 C ATOM 476 CD LYS A 31 11.574 3.042 -1.475 1.00 0.00 C ATOM 477 CE LYS A 31 11.391 2.509 -0.062 1.00 0.00 C ATOM 478 NZ LYS A 31 12.563 2.818 0.804 1.00 0.00 N ATOM 0 H LYS A 31 8.519 1.746 -5.058 1.00 0.00 H new ATOM 0 HA LYS A 31 8.022 2.034 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.298 1.918 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.981 3.424 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.460 4.680 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.530 3.653 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.903 2.235 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.359 3.798 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.492 2.942 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.240 1.430 -0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.399 2.438 1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.417 2.383 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.692 3.849 0.859 1.00 0.00 H new ATOM 492 N LYS A 32 7.604 4.696 -4.167 1.00 0.00 N ATOM 493 CA LYS A 32 6.935 5.997 -4.234 1.00 0.00 C ATOM 494 C LYS A 32 5.440 5.894 -3.920 1.00 0.00 C ATOM 495 O LYS A 32 4.873 6.769 -3.267 1.00 0.00 O ATOM 496 CB LYS A 32 7.133 6.613 -5.621 1.00 0.00 C ATOM 497 CG LYS A 32 7.834 7.962 -5.591 1.00 0.00 C ATOM 498 CD LYS A 32 9.104 7.953 -6.428 1.00 0.00 C ATOM 499 CE LYS A 32 10.104 8.986 -5.936 1.00 0.00 C ATOM 500 NZ LYS A 32 11.497 8.460 -5.949 1.00 0.00 N ATOM 0 H LYS A 32 8.152 4.462 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 32 7.386 6.637 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.713 5.925 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.161 6.728 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.158 8.732 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.078 8.223 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.557 6.962 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.855 8.154 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.046 9.875 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.841 9.293 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.149 9.195 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.559 7.626 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.758 8.191 -6.919 1.00 0.00 H new ATOM 514 N LYS A 33 4.810 4.833 -4.405 1.00 0.00 N ATOM 515 CA LYS A 33 3.380 4.619 -4.199 1.00 0.00 C ATOM 516 C LYS A 33 3.079 4.027 -2.822 1.00 0.00 C ATOM 517 O LYS A 33 1.970 4.167 -2.312 1.00 0.00 O ATOM 518 CB LYS A 33 2.823 3.703 -5.291 1.00 0.00 C ATOM 519 CG LYS A 33 1.322 3.487 -5.196 1.00 0.00 C ATOM 520 CD LYS A 33 0.875 2.301 -6.033 1.00 0.00 C ATOM 521 CE LYS A 33 -0.376 1.655 -5.460 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.549 2.570 -5.519 1.00 0.00 N ATOM 0 H LYS A 33 5.268 4.101 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 33 2.894 5.593 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.059 4.129 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.325 2.737 -5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.042 3.325 -4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.802 4.385 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.682 2.628 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.677 1.565 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.599 0.742 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.194 1.365 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.424 2.010 -5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.567 3.167 -4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.477 3.173 -6.363 1.00 0.00 H new ATOM 536 N CYS A 34 4.055 3.341 -2.242 1.00 0.00 N ATOM 537 CA CYS A 34 3.877 2.703 -0.938 1.00 0.00 C ATOM 538 C CYS A 34 3.610 3.720 0.175 1.00 0.00 C ATOM 539 O CYS A 34 2.598 3.639 0.871 1.00 0.00 O ATOM 540 CB CYS A 34 5.125 1.892 -0.585 1.00 0.00 C ATOM 541 SG CYS A 34 4.793 0.147 -0.188 1.00 0.00 S ATOM 0 H CYS A 34 4.980 3.210 -2.652 1.00 0.00 H new ATOM 0 HA CYS A 34 3.006 2.052 -1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.822 1.936 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.619 2.359 0.267 1.00 0.00 H new ATOM 0 HG CYS A 34 5.868 -0.400 0.297 1.00 0.00 H new ATOM 546 N GLU A 35 4.535 4.657 0.352 1.00 0.00 N ATOM 547 CA GLU A 35 4.413 5.669 1.399 1.00 0.00 C ATOM 548 C GLU A 35 3.276 6.647 1.120 1.00 0.00 C ATOM 549 O GLU A 35 2.468 6.931 2.000 1.00 0.00 O ATOM 550 CB GLU A 35 5.729 6.429 1.567 1.00 0.00 C ATOM 551 CG GLU A 35 6.316 6.917 0.257 1.00 0.00 C ATOM 552 CD GLU A 35 6.680 8.389 0.289 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.774 9.229 0.107 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.872 8.701 0.497 1.00 0.00 O ATOM 0 H GLU A 35 5.379 4.738 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 35 4.179 5.146 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.565 7.284 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.453 5.782 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.206 6.332 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.599 6.742 -0.545 1.00 0.00 H new ATOM 561 N GLU A 36 3.216 7.162 -0.102 1.00 0.00 N ATOM 562 CA GLU A 36 2.173 8.109 -0.481 1.00 0.00 C ATOM 563 C GLU A 36 0.786 7.537 -0.197 1.00 0.00 C ATOM 564 O GLU A 36 -0.169 8.276 0.043 1.00 0.00 O ATOM 565 CB GLU A 36 2.295 8.473 -1.962 1.00 0.00 C ATOM 566 CG GLU A 36 1.471 9.687 -2.361 1.00 0.00 C ATOM 567 CD GLU A 36 0.488 9.386 -3.475 1.00 0.00 C ATOM 568 OE1 GLU A 36 -0.634 8.929 -3.171 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.840 9.608 -4.653 1.00 0.00 O ATOM 0 H GLU A 36 3.876 6.941 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 36 2.303 9.010 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.343 8.663 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.984 7.619 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.927 10.054 -1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.140 10.487 -2.679 1.00 0.00 H new ATOM 576 N LEU A 37 0.688 6.216 -0.240 1.00 0.00 N ATOM 577 CA LEU A 37 -0.572 5.525 -0.002 1.00 0.00 C ATOM 578 C LEU A 37 -0.988 5.618 1.466 1.00 0.00 C ATOM 579 O LEU A 37 -2.161 5.823 1.774 1.00 0.00 O ATOM 580 CB LEU A 37 -0.444 4.057 -0.428 1.00 0.00 C ATOM 581 CG LEU A 37 -1.568 3.126 0.039 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.929 3.785 -0.144 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.505 1.804 -0.714 1.00 0.00 C ATOM 0 H LEU A 37 1.473 5.596 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.347 6.008 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.394 4.017 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.503 3.670 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.431 2.927 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.711 3.105 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.970 4.704 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.082 4.018 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.309 1.152 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.616 1.988 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.544 1.324 -0.527 1.00 0.00 H new ATOM 595 N LYS A 38 -0.022 5.459 2.366 1.00 0.00 N ATOM 596 CA LYS A 38 -0.295 5.522 3.798 1.00 0.00 C ATOM 597 C LYS A 38 -0.898 6.868 4.190 1.00 0.00 C ATOM 598 O LYS A 38 -1.997 6.930 4.742 1.00 0.00 O ATOM 599 CB LYS A 38 0.989 5.276 4.593 1.00 0.00 C ATOM 600 CG LYS A 38 1.440 3.824 4.586 1.00 0.00 C ATOM 601 CD LYS A 38 2.224 3.476 5.841 1.00 0.00 C ATOM 602 CE LYS A 38 3.721 3.452 5.574 1.00 0.00 C ATOM 603 NZ LYS A 38 4.413 2.417 6.391 1.00 0.00 N ATOM 0 H LYS A 38 0.955 5.286 2.130 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.020 4.743 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.785 5.897 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.835 5.595 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.570 3.172 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.058 3.638 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.004 4.204 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.904 2.503 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.898 3.258 4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.145 4.432 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.434 2.444 6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.251 2.606 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.038 1.477 6.151 1.00 0.00 H new ATOM 617 N LYS A 39 -0.173 7.944 3.901 1.00 0.00 N ATOM 618 CA LYS A 39 -0.631 9.293 4.222 1.00 0.00 C ATOM 619 C LYS A 39 -2.026 9.551 3.659 1.00 0.00 C ATOM 620 O LYS A 39 -2.786 10.353 4.201 1.00 0.00 O ATOM 621 CB LYS A 39 0.353 10.329 3.674 1.00 0.00 C ATOM 622 CG LYS A 39 0.429 10.354 2.157 1.00 0.00 C ATOM 623 CD LYS A 39 1.543 11.266 1.670 1.00 0.00 C ATOM 624 CE LYS A 39 1.112 12.723 1.672 1.00 0.00 C ATOM 625 NZ LYS A 39 1.549 13.430 2.907 1.00 0.00 N ATOM 0 H LYS A 39 0.738 7.908 3.443 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.680 9.382 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.063 11.317 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.345 10.123 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.595 9.344 1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.524 10.692 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.419 11.144 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.839 10.974 0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.529 13.226 0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.027 12.781 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.837 14.140 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.656 12.743 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.460 13.901 2.733 1.00 0.00 H new ATOM 639 N LYS A 40 -2.356 8.867 2.568 1.00 0.00 N ATOM 640 CA LYS A 40 -3.660 9.026 1.934 1.00 0.00 C ATOM 641 C LYS A 40 -4.765 8.421 2.795 1.00 0.00 C ATOM 642 O LYS A 40 -5.918 8.843 2.723 1.00 0.00 O ATOM 643 CB LYS A 40 -3.662 8.374 0.550 1.00 0.00 C ATOM 644 CG LYS A 40 -4.534 9.101 -0.463 1.00 0.00 C ATOM 645 CD LYS A 40 -3.701 9.759 -1.550 1.00 0.00 C ATOM 646 CE LYS A 40 -3.331 11.187 -1.182 1.00 0.00 C ATOM 647 NZ LYS A 40 -2.263 11.730 -2.066 1.00 0.00 N ATOM 0 H LYS A 40 -1.740 8.199 2.105 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.853 10.093 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.639 8.334 0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.008 7.345 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.232 8.396 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.131 9.857 0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.794 9.178 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.257 9.756 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.216 11.820 -1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.995 11.219 -0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.040 12.705 -1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.410 11.141 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.592 11.723 -3.052 1.00 0.00 H new ATOM 661 N ILE A 41 -4.408 7.436 3.613 1.00 0.00 N ATOM 662 CA ILE A 41 -5.377 6.786 4.488 1.00 0.00 C ATOM 663 C ILE A 41 -5.739 7.694 5.656 1.00 0.00 C ATOM 664 O ILE A 41 -6.868 7.676 6.146 1.00 0.00 O ATOM 665 CB ILE A 41 -4.841 5.449 5.037 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.181 4.639 3.917 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.967 4.656 5.686 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.753 3.249 4.341 1.00 0.00 C ATOM 0 H ILE A 41 -3.458 7.071 3.688 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.265 6.586 3.888 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.087 5.658 5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.877 4.556 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.309 5.183 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.575 3.714 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.392 5.233 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.742 4.452 4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.294 2.736 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.032 3.323 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.624 2.687 4.677 1.00 0.00 H new ATOM 680 N GLU A 42 -4.772 8.496 6.094 1.00 0.00 N ATOM 681 CA GLU A 42 -4.989 9.421 7.198 1.00 0.00 C ATOM 682 C GLU A 42 -5.966 10.517 6.792 1.00 0.00 C ATOM 683 O GLU A 42 -6.757 10.995 7.606 1.00 0.00 O ATOM 684 CB GLU A 42 -3.663 10.039 7.644 1.00 0.00 C ATOM 685 CG GLU A 42 -2.765 9.074 8.401 1.00 0.00 C ATOM 686 CD GLU A 42 -2.014 9.744 9.536 1.00 0.00 C ATOM 687 OE1 GLU A 42 -2.627 10.564 10.250 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.814 9.447 9.708 1.00 0.00 O ATOM 0 H GLU A 42 -3.831 8.523 5.700 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.416 8.865 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.130 10.406 6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.869 10.903 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.369 8.259 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.049 8.630 7.709 1.00 0.00 H new ATOM 695 N GLU A 43 -5.910 10.906 5.521 1.00 0.00 N ATOM 696 CA GLU A 43 -6.794 11.940 4.998 1.00 0.00 C ATOM 697 C GLU A 43 -8.212 11.402 4.832 1.00 0.00 C ATOM 698 O GLU A 43 -9.190 12.144 4.928 1.00 0.00 O ATOM 699 CB GLU A 43 -6.263 12.469 3.660 1.00 0.00 C ATOM 700 CG GLU A 43 -6.425 11.504 2.493 1.00 0.00 C ATOM 701 CD GLU A 43 -6.941 12.184 1.240 1.00 0.00 C ATOM 702 OE1 GLU A 43 -8.176 12.258 1.071 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.110 12.643 0.428 1.00 0.00 O ATOM 0 H GLU A 43 -5.261 10.520 4.835 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.821 12.763 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.778 13.399 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.206 12.710 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.465 11.035 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.112 10.707 2.778 1.00 0.00 H new ATOM 710 N LEU A 44 -8.309 10.101 4.581 1.00 0.00 N ATOM 711 CA LEU A 44 -9.595 9.441 4.397 1.00 0.00 C ATOM 712 C LEU A 44 -10.476 9.607 5.632 1.00 0.00 C ATOM 713 O LEU A 44 -9.989 9.927 6.716 1.00 0.00 O ATOM 714 CB LEU A 44 -9.381 7.955 4.098 1.00 0.00 C ATOM 715 CG LEU A 44 -9.438 7.576 2.618 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.993 6.136 2.419 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.841 7.785 2.068 1.00 0.00 C ATOM 0 H LEU A 44 -7.505 9.479 4.500 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.103 9.908 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.411 7.656 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.137 7.380 4.634 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.755 8.224 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.040 5.884 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.969 6.019 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.650 5.471 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.863 7.510 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.545 7.162 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.122 8.833 2.176 1.00 0.00 H new ATOM 757 N GLU A 49 -14.979 7.563 -0.569 1.00 0.00 N ATOM 758 CA GLU A 49 -13.694 7.461 -1.251 1.00 0.00 C ATOM 759 C GLU A 49 -12.835 6.358 -0.639 1.00 0.00 C ATOM 760 O GLU A 49 -11.900 5.867 -1.270 1.00 0.00 O ATOM 761 CB GLU A 49 -12.952 8.797 -1.183 1.00 0.00 C ATOM 762 CG GLU A 49 -11.661 8.813 -1.983 1.00 0.00 C ATOM 763 CD GLU A 49 -10.819 10.043 -1.707 1.00 0.00 C ATOM 764 OE1 GLU A 49 -10.444 10.255 -0.535 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.533 10.794 -2.663 1.00 0.00 O ATOM 0 HA GLU A 49 -13.885 7.209 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.607 9.587 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.728 9.027 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.081 7.920 -1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.896 8.770 -3.046 1.00 0.00 H new ATOM 772 N VAL A 50 -13.157 5.973 0.594 1.00 0.00 N ATOM 773 CA VAL A 50 -12.415 4.929 1.293 1.00 0.00 C ATOM 774 C VAL A 50 -12.231 3.692 0.416 1.00 0.00 C ATOM 775 O VAL A 50 -11.239 2.973 0.539 1.00 0.00 O ATOM 776 CB VAL A 50 -13.124 4.522 2.600 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.490 3.917 2.307 1.00 0.00 C ATOM 778 CG2 VAL A 50 -12.263 3.556 3.397 1.00 0.00 C ATOM 0 H VAL A 50 -13.929 6.370 1.130 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.435 5.343 1.530 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.275 5.419 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.972 3.637 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.107 4.648 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.370 3.032 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.781 3.280 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.076 2.661 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.314 4.033 3.644 1.00 0.00 H new ATOM 788 N LYS A 51 -13.194 3.452 -0.467 1.00 0.00 N ATOM 789 CA LYS A 51 -13.140 2.304 -1.365 1.00 0.00 C ATOM 790 C LYS A 51 -12.062 2.495 -2.430 1.00 0.00 C ATOM 791 O LYS A 51 -11.475 1.527 -2.912 1.00 0.00 O ATOM 792 CB LYS A 51 -14.502 2.087 -2.031 1.00 0.00 C ATOM 793 CG LYS A 51 -15.254 0.879 -1.495 1.00 0.00 C ATOM 794 CD LYS A 51 -15.179 -0.298 -2.456 1.00 0.00 C ATOM 795 CE LYS A 51 -14.155 -1.324 -2.002 1.00 0.00 C ATOM 796 NZ LYS A 51 -13.890 -2.346 -3.051 1.00 0.00 N ATOM 0 H LYS A 51 -14.022 4.037 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.888 1.423 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.113 2.978 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.358 1.968 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.838 0.589 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.297 1.145 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.159 -0.770 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.919 0.060 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.224 -0.818 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.511 -1.816 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.186 -3.027 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.773 -2.846 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.526 -1.879 -3.906 1.00 0.00 H new ATOM 810 N LYS A 52 -11.807 3.749 -2.791 1.00 0.00 N ATOM 811 CA LYS A 52 -10.801 4.064 -3.799 1.00 0.00 C ATOM 812 C LYS A 52 -9.401 3.716 -3.298 1.00 0.00 C ATOM 813 O LYS A 52 -8.684 2.936 -3.924 1.00 0.00 O ATOM 814 CB LYS A 52 -10.873 5.548 -4.169 1.00 0.00 C ATOM 815 CG LYS A 52 -9.729 6.016 -5.055 1.00 0.00 C ATOM 816 CD LYS A 52 -9.686 5.244 -6.364 1.00 0.00 C ATOM 817 CE LYS A 52 -9.196 6.116 -7.509 1.00 0.00 C ATOM 818 NZ LYS A 52 -7.713 6.247 -7.511 1.00 0.00 N ATOM 0 H LYS A 52 -12.283 4.563 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.006 3.465 -4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.817 5.740 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.878 6.141 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.840 7.080 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.784 5.891 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.030 4.380 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.680 4.862 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.524 5.689 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.648 7.105 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.419 6.849 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.401 6.678 -6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.282 5.306 -7.611 1.00 0.00 H new ATOM 832 N VAL A 53 -9.020 4.299 -2.165 1.00 0.00 N ATOM 833 CA VAL A 53 -7.706 4.050 -1.582 1.00 0.00 C ATOM 834 C VAL A 53 -7.487 2.561 -1.335 1.00 0.00 C ATOM 835 O VAL A 53 -6.357 2.076 -1.379 1.00 0.00 O ATOM 836 CB VAL A 53 -7.527 4.810 -0.254 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.088 4.711 0.228 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.945 6.264 -0.410 1.00 0.00 C ATOM 0 H VAL A 53 -9.602 4.946 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.969 4.409 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.170 4.350 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.981 5.254 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.827 3.664 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.423 5.144 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.812 6.785 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.330 6.739 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.993 6.312 -0.706 1.00 0.00 H new ATOM 848 N GLU A 54 -8.574 1.840 -1.081 1.00 0.00 N ATOM 849 CA GLU A 54 -8.497 0.405 -0.834 1.00 0.00 C ATOM 850 C GLU A 54 -7.952 -0.322 -2.058 1.00 0.00 C ATOM 851 O GLU A 54 -7.248 -1.325 -1.936 1.00 0.00 O ATOM 852 CB GLU A 54 -9.875 -0.149 -0.467 1.00 0.00 C ATOM 853 CG GLU A 54 -9.819 -1.475 0.273 1.00 0.00 C ATOM 854 CD GLU A 54 -11.154 -1.861 0.879 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.483 -1.346 1.969 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.873 -2.678 0.264 1.00 0.00 O ATOM 0 H GLU A 54 -9.518 2.225 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.817 0.239 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.398 0.581 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.461 -0.275 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.496 -2.257 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.070 -1.415 1.062 1.00 0.00 H new ATOM 863 N GLU A 55 -8.281 0.195 -3.237 1.00 0.00 N ATOM 864 CA GLU A 55 -7.823 -0.399 -4.488 1.00 0.00 C ATOM 865 C GLU A 55 -6.361 -0.048 -4.751 1.00 0.00 C ATOM 866 O GLU A 55 -5.641 -0.797 -5.409 1.00 0.00 O ATOM 867 CB GLU A 55 -8.695 0.078 -5.651 1.00 0.00 C ATOM 868 CG GLU A 55 -8.313 -0.534 -6.989 1.00 0.00 C ATOM 869 CD GLU A 55 -8.669 -2.004 -7.080 1.00 0.00 C ATOM 870 OE1 GLU A 55 -8.025 -2.816 -6.381 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.592 -2.345 -7.847 1.00 0.00 O ATOM 0 H GLU A 55 -8.863 1.024 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.907 -1.482 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.736 -0.161 -5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.626 1.163 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.816 0.008 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.241 -0.413 -7.147 1.00 0.00 H new ATOM 878 N GLU A 56 -5.932 1.098 -4.231 1.00 0.00 N ATOM 879 CA GLU A 56 -4.557 1.552 -4.404 1.00 0.00 C ATOM 880 C GLU A 56 -3.584 0.645 -3.655 1.00 0.00 C ATOM 881 O GLU A 56 -2.429 0.492 -4.051 1.00 0.00 O ATOM 882 CB GLU A 56 -4.411 2.993 -3.911 1.00 0.00 C ATOM 883 CG GLU A 56 -4.773 4.034 -4.958 1.00 0.00 C ATOM 884 CD GLU A 56 -4.188 5.399 -4.650 1.00 0.00 C ATOM 885 OE1 GLU A 56 -2.950 5.498 -4.520 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.968 6.367 -4.540 1.00 0.00 O ATOM 0 H GLU A 56 -6.518 1.730 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.317 1.511 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.045 3.135 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.382 3.156 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.417 3.702 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.858 4.114 -5.025 1.00 0.00 H new ATOM 893 N VAL A 57 -4.064 0.043 -2.571 1.00 0.00 N ATOM 894 CA VAL A 57 -3.247 -0.852 -1.760 1.00 0.00 C ATOM 895 C VAL A 57 -3.221 -2.255 -2.353 1.00 0.00 C ATOM 896 O VAL A 57 -2.286 -3.019 -2.123 1.00 0.00 O ATOM 897 CB VAL A 57 -3.766 -0.935 -0.311 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.750 -1.633 0.581 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.097 0.451 0.225 1.00 0.00 C ATOM 0 H VAL A 57 -5.019 0.160 -2.233 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.239 -0.438 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.683 -1.524 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.134 -1.682 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.574 -2.643 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.814 -1.075 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.461 0.368 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.201 1.071 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.866 0.908 -0.398 1.00 0.00 H new ATOM 909 N LYS A 58 -4.263 -2.589 -3.104 1.00 0.00 N ATOM 910 CA LYS A 58 -4.379 -3.901 -3.729 1.00 0.00 C ATOM 911 C LYS A 58 -3.435 -4.038 -4.921 1.00 0.00 C ATOM 912 O LYS A 58 -3.019 -5.142 -5.266 1.00 0.00 O ATOM 913 CB LYS A 58 -5.823 -4.144 -4.172 1.00 0.00 C ATOM 914 CG LYS A 58 -6.570 -5.138 -3.296 1.00 0.00 C ATOM 915 CD LYS A 58 -8.024 -5.269 -3.718 1.00 0.00 C ATOM 916 CE LYS A 58 -8.793 -6.205 -2.798 1.00 0.00 C ATOM 917 NZ LYS A 58 -9.869 -5.494 -2.054 1.00 0.00 N ATOM 0 H LYS A 58 -5.046 -1.964 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.096 -4.651 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.360 -3.195 -4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.823 -4.507 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.084 -6.112 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.519 -4.817 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.495 -4.286 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.074 -5.642 -4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.231 -7.012 -3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.104 -6.664 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.369 -6.167 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.450 -4.740 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.541 -5.078 -2.729 1.00 0.00 H new ATOM 931 N LYS A 59 -3.123 -2.918 -5.566 1.00 0.00 N ATOM 932 CA LYS A 59 -2.246 -2.928 -6.737 1.00 0.00 C ATOM 933 C LYS A 59 -0.779 -3.117 -6.356 1.00 0.00 C ATOM 934 O LYS A 59 -0.049 -3.841 -7.033 1.00 0.00 O ATOM 935 CB LYS A 59 -2.410 -1.627 -7.531 1.00 0.00 C ATOM 936 CG LYS A 59 -1.467 -1.513 -8.723 1.00 0.00 C ATOM 937 CD LYS A 59 -0.357 -0.503 -8.467 1.00 0.00 C ATOM 938 CE LYS A 59 -0.809 0.914 -8.786 1.00 0.00 C ATOM 939 NZ LYS A 59 0.236 1.677 -9.522 1.00 0.00 N ATOM 0 H LYS A 59 -3.462 -1.993 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.541 -3.777 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.439 -1.555 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.242 -0.781 -6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.030 -2.488 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.032 -1.217 -9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.045 -0.560 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.512 -0.754 -9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.721 0.879 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.054 1.434 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.090 2.652 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.114 1.689 -8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.415 1.223 -10.440 1.00 0.00 H new ATOM 953 N LEU A 60 -0.340 -2.453 -5.291 1.00 0.00 N ATOM 954 CA LEU A 60 1.053 -2.551 -4.864 1.00 0.00 C ATOM 955 C LEU A 60 1.337 -3.861 -4.139 1.00 0.00 C ATOM 956 O LEU A 60 2.470 -4.331 -4.119 1.00 0.00 O ATOM 957 CB LEU A 60 1.429 -1.376 -3.966 1.00 0.00 C ATOM 958 CG LEU A 60 2.916 -1.016 -3.996 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.107 0.463 -4.283 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.591 -1.405 -2.690 1.00 0.00 C ATOM 0 H LEU A 60 -0.921 -1.847 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 60 1.663 -2.525 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.849 -0.503 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.144 -1.611 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 60 3.386 -1.580 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.172 0.696 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.667 0.706 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.619 1.051 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.647 -1.140 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.118 -0.875 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.493 -2.479 -2.535 1.00 0.00 H new ATOM 972 N GLU A 61 0.310 -4.444 -3.540 1.00 0.00 N ATOM 973 CA GLU A 61 0.464 -5.698 -2.816 1.00 0.00 C ATOM 974 C GLU A 61 0.717 -6.850 -3.784 1.00 0.00 C ATOM 975 O GLU A 61 1.695 -7.584 -3.653 1.00 0.00 O ATOM 976 CB GLU A 61 -0.788 -5.976 -1.985 1.00 0.00 C ATOM 977 CG GLU A 61 -0.490 -6.484 -0.585 1.00 0.00 C ATOM 978 CD GLU A 61 -1.499 -7.512 -0.110 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.710 -7.298 -0.326 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.077 -8.529 0.478 1.00 0.00 O ATOM 0 H GLU A 61 -0.639 -4.070 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 61 1.323 -5.612 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.376 -5.061 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.403 -6.710 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.507 -6.924 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.480 -5.643 0.108 1.00 0.00 H new ATOM 987 N GLU A 62 -0.175 -6.993 -4.757 1.00 0.00 N ATOM 988 CA GLU A 62 -0.069 -8.044 -5.761 1.00 0.00 C ATOM 989 C GLU A 62 1.178 -7.860 -6.623 1.00 0.00 C ATOM 990 O GLU A 62 1.715 -8.822 -7.169 1.00 0.00 O ATOM 991 CB GLU A 62 -1.317 -8.044 -6.647 1.00 0.00 C ATOM 992 CG GLU A 62 -1.794 -9.435 -7.027 1.00 0.00 C ATOM 993 CD GLU A 62 -3.159 -9.424 -7.688 1.00 0.00 C ATOM 994 OE1 GLU A 62 -4.155 -9.143 -6.988 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.232 -9.694 -8.905 1.00 0.00 O ATOM 0 H GLU A 62 -0.988 -6.387 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 62 0.012 -9.000 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.121 -7.523 -6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.107 -7.480 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.071 -9.891 -7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.832 -10.058 -6.134 1.00 0.00 H new ATOM 1002 N GLU A 63 1.625 -6.615 -6.745 1.00 0.00 N ATOM 1003 CA GLU A 63 2.802 -6.295 -7.545 1.00 0.00 C ATOM 1004 C GLU A 63 4.049 -6.985 -6.996 1.00 0.00 C ATOM 1005 O GLU A 63 4.701 -7.760 -7.694 1.00 0.00 O ATOM 1006 CB GLU A 63 3.012 -4.778 -7.579 1.00 0.00 C ATOM 1007 CG GLU A 63 2.920 -4.184 -8.974 1.00 0.00 C ATOM 1008 CD GLU A 63 3.952 -4.761 -9.923 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.952 -5.329 -9.438 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.760 -4.644 -11.152 1.00 0.00 O ATOM 0 H GLU A 63 1.189 -5.808 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 63 2.634 -6.660 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.268 -4.302 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.990 -4.545 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.923 -4.362 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.051 -3.104 -8.914 1.00 0.00 H new ATOM 1017 N ILE A 64 4.375 -6.690 -5.742 1.00 0.00 N ATOM 1018 CA ILE A 64 5.543 -7.269 -5.090 1.00 0.00 C ATOM 1019 C ILE A 64 5.526 -8.796 -5.154 1.00 0.00 C ATOM 1020 O ILE A 64 6.575 -9.439 -5.093 1.00 0.00 O ATOM 1021 CB ILE A 64 5.630 -6.833 -3.610 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.493 -5.311 -3.482 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.939 -7.305 -2.991 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.556 -4.817 -2.053 1.00 0.00 C ATOM 0 H ILE A 64 3.842 -6.049 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 64 6.415 -6.900 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 64 4.805 -7.296 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.285 -4.833 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.546 -5.001 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.983 -6.989 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.995 -8.392 -3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.777 -6.872 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.452 -3.732 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.747 -5.267 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.514 -5.096 -1.613 1.00 0.00 H new ATOM 1036 N LYS A 65 4.333 -9.373 -5.271 1.00 0.00 N ATOM 1037 CA LYS A 65 4.187 -10.825 -5.334 1.00 0.00 C ATOM 1038 C LYS A 65 5.071 -11.428 -6.423 1.00 0.00 C ATOM 1039 O LYS A 65 5.647 -12.500 -6.243 1.00 0.00 O ATOM 1040 CB LYS A 65 2.726 -11.203 -5.588 1.00 0.00 C ATOM 1041 CG LYS A 65 1.764 -10.646 -4.552 1.00 0.00 C ATOM 1042 CD LYS A 65 2.148 -11.080 -3.146 1.00 0.00 C ATOM 1043 CE LYS A 65 1.073 -10.710 -2.137 1.00 0.00 C ATOM 1044 NZ LYS A 65 0.191 -11.867 -1.816 1.00 0.00 N ATOM 0 H LYS A 65 3.454 -8.858 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 65 4.504 -11.230 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.433 -10.843 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.638 -12.289 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.756 -9.558 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.752 -10.984 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.310 -12.158 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.091 -10.611 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.543 -10.347 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.470 -9.892 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.529 -11.574 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.277 -12.198 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.762 -12.638 -1.415 1.00 0.00 H new ATOM 1058 N LYS A 66 5.172 -10.736 -7.553 1.00 0.00 N ATOM 1059 CA LYS A 66 5.984 -11.212 -8.668 1.00 0.00 C ATOM 1060 C LYS A 66 7.336 -10.507 -8.698 1.00 0.00 C ATOM 1061 O LYS A 66 8.376 -11.126 -8.474 1.00 0.00 O ATOM 1062 CB LYS A 66 5.251 -10.990 -9.992 1.00 0.00 C ATOM 1063 CG LYS A 66 4.323 -12.133 -10.372 1.00 0.00 C ATOM 1064 CD LYS A 66 4.224 -12.291 -11.881 1.00 0.00 C ATOM 1065 CE LYS A 66 4.168 -13.756 -12.285 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.986 -14.448 -11.702 1.00 0.00 N ATOM 0 H LYS A 66 4.703 -9.846 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 66 6.155 -12.280 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.672 -10.069 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.985 -10.850 -10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.687 -13.061 -9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.331 -11.951 -9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.333 -11.778 -12.244 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.082 -11.814 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.133 -13.832 -13.372 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.079 -14.257 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.928 -15.415 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.082 -14.487 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.121 -13.926 -11.950 1.00 0.00 H new