USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 323 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ -137:sc= -0.0232 (180deg=0) USER MOD Set 1.2: A 24 ASN : amide:sc= 0.0638 X(o=0.041,f=0.27) 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -85:sc= 1.11 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -12.073 -2.287 -4.230 1.00 0.00 N ATOM 126 CA ASP A 9 -13.248 -1.746 -3.555 1.00 0.00 C ATOM 127 C ASP A 9 -13.072 -0.258 -3.268 1.00 0.00 C ATOM 128 O ASP A 9 -14.047 0.492 -3.204 1.00 0.00 O ATOM 129 CB ASP A 9 -13.507 -2.503 -2.252 1.00 0.00 C ATOM 130 CG ASP A 9 -14.353 -3.743 -2.461 1.00 0.00 C ATOM 131 OD1 ASP A 9 -13.786 -4.792 -2.834 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.581 -3.666 -2.251 1.00 0.00 O ATOM 0 HA ASP A 9 -14.106 -1.871 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.554 -2.788 -1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.006 -1.841 -1.544 1.00 0.00 H new ATOM 137 N LYS A 10 -11.824 0.163 -3.095 1.00 0.00 N ATOM 138 CA LYS A 10 -11.519 1.561 -2.815 1.00 0.00 C ATOM 139 C LYS A 10 -11.614 2.403 -4.083 1.00 0.00 C ATOM 140 O LYS A 10 -12.289 3.433 -4.106 1.00 0.00 O ATOM 141 CB LYS A 10 -10.119 1.688 -2.210 1.00 0.00 C ATOM 142 CG LYS A 10 -10.088 2.475 -0.911 1.00 0.00 C ATOM 143 CD LYS A 10 -10.467 3.930 -1.131 1.00 0.00 C ATOM 144 CE LYS A 10 -10.979 4.572 0.149 1.00 0.00 C ATOM 145 NZ LYS A 10 -10.095 5.681 0.604 1.00 0.00 N ATOM 0 H LYS A 10 -11.006 -0.445 -3.144 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.253 1.930 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.718 0.691 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.462 2.171 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.774 2.024 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.091 2.420 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.600 4.482 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.233 3.995 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.987 4.954 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.047 3.817 0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.477 6.093 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.140 5.312 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.050 6.414 -0.133 1.00 0.00 H new ATOM 159 N ILE A 11 -10.936 1.958 -5.136 1.00 0.00 N ATOM 160 CA ILE A 11 -10.947 2.670 -6.408 1.00 0.00 C ATOM 161 C ILE A 11 -12.336 2.651 -7.037 1.00 0.00 C ATOM 162 O ILE A 11 -12.778 3.639 -7.624 1.00 0.00 O ATOM 163 CB ILE A 11 -9.938 2.065 -7.401 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.215 0.572 -7.597 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.515 2.285 -6.910 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.169 0.279 -8.733 1.00 0.00 C ATOM 0 H ILE A 11 -10.372 1.108 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.661 3.700 -6.195 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.051 2.566 -8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.272 0.057 -7.783 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.625 0.163 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.813 1.852 -7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.324 3.354 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.387 1.807 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.319 -0.798 -8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.125 0.765 -8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.751 0.658 -9.666 1.00 0.00 H new ATOM 178 N LYS A 12 -13.022 1.520 -6.908 1.00 0.00 N ATOM 179 CA LYS A 12 -14.363 1.371 -7.460 1.00 0.00 C ATOM 180 C LYS A 12 -15.370 2.208 -6.678 1.00 0.00 C ATOM 181 O LYS A 12 -16.393 2.630 -7.217 1.00 0.00 O ATOM 182 CB LYS A 12 -14.784 -0.100 -7.442 1.00 0.00 C ATOM 183 CG LYS A 12 -16.240 -0.321 -7.814 1.00 0.00 C ATOM 184 CD LYS A 12 -17.106 -0.523 -6.582 1.00 0.00 C ATOM 185 CE LYS A 12 -18.236 0.493 -6.522 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.515 -0.125 -6.077 1.00 0.00 N ATOM 0 H LYS A 12 -12.671 0.693 -6.426 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.345 1.725 -8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.152 -0.658 -8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.606 -0.508 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.606 0.535 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.322 -1.192 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.521 -1.531 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.491 -0.438 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.965 1.298 -5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.373 0.942 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.260 0.600 -6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.788 -0.876 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.392 -0.532 -5.128 1.00 0.00 H new ATOM 200 N SER A 13 -15.072 2.446 -5.404 1.00 0.00 N ATOM 201 CA SER A 13 -15.953 3.231 -4.547 1.00 0.00 C ATOM 202 C SER A 13 -15.577 4.709 -4.590 1.00 0.00 C ATOM 203 O SER A 13 -16.404 5.581 -4.320 1.00 0.00 O ATOM 204 CB SER A 13 -15.887 2.718 -3.107 1.00 0.00 C ATOM 205 OG SER A 13 -16.820 3.395 -2.282 1.00 0.00 O ATOM 0 H SER A 13 -14.228 2.107 -4.943 1.00 0.00 H new ATOM 0 HA SER A 13 -16.972 3.122 -4.918 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.091 1.647 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.880 2.858 -2.713 1.00 0.00 H new ATOM 0 HG SER A 13 -16.760 3.049 -1.367 1.00 0.00 H new ATOM 211 N LYS A 14 -14.323 4.984 -4.932 1.00 0.00 N ATOM 212 CA LYS A 14 -13.834 6.356 -5.013 1.00 0.00 C ATOM 213 C LYS A 14 -14.589 7.140 -6.082 1.00 0.00 C ATOM 214 O LYS A 14 -15.350 8.056 -5.771 1.00 0.00 O ATOM 215 CB LYS A 14 -12.335 6.368 -5.319 1.00 0.00 C ATOM 216 CG LYS A 14 -11.604 7.562 -4.729 1.00 0.00 C ATOM 217 CD LYS A 14 -12.261 8.872 -5.130 1.00 0.00 C ATOM 218 CE LYS A 14 -12.232 9.072 -6.637 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.378 10.228 -7.027 1.00 0.00 N ATOM 0 H LYS A 14 -13.626 4.274 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.005 6.834 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.887 5.452 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.193 6.363 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.588 7.479 -3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.567 7.557 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.293 8.884 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.749 9.701 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.859 8.167 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.247 9.231 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.385 10.331 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.748 11.096 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.404 10.065 -6.701 1.00 0.00 H new ATOM 233 N ILE A 15 -14.373 6.773 -7.340 1.00 0.00 N ATOM 234 CA ILE A 15 -15.035 7.441 -8.454 1.00 0.00 C ATOM 235 C ILE A 15 -16.551 7.414 -8.289 1.00 0.00 C ATOM 236 O ILE A 15 -17.234 8.401 -8.564 1.00 0.00 O ATOM 237 CB ILE A 15 -14.665 6.791 -9.801 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.148 6.617 -9.908 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.190 7.630 -10.956 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.712 5.172 -10.016 1.00 0.00 C ATOM 0 H ILE A 15 -13.745 6.017 -7.614 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.690 8.475 -8.452 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.130 5.806 -9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.788 7.163 -10.780 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.676 7.066 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.921 7.158 -11.901 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.275 7.708 -10.886 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.751 8.627 -10.911 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.625 5.124 -10.088 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.041 4.626 -9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.155 4.724 -10.905 1.00 0.00 H new ATOM 252 N LEU A 16 -17.071 6.279 -7.837 1.00 0.00 N ATOM 253 CA LEU A 16 -18.507 6.123 -7.633 1.00 0.00 C ATOM 254 C LEU A 16 -19.014 7.093 -6.570 1.00 0.00 C ATOM 255 O LEU A 16 -19.848 7.955 -6.850 1.00 0.00 O ATOM 256 CB LEU A 16 -18.831 4.685 -7.223 1.00 0.00 C ATOM 257 CG LEU A 16 -20.210 4.166 -7.630 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.081 2.890 -8.447 1.00 0.00 C ATOM 259 CD2 LEU A 16 -21.074 3.928 -6.400 1.00 0.00 C ATOM 0 H LEU A 16 -16.520 5.453 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.009 6.348 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.076 4.027 -7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.741 4.608 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 16 -20.693 4.922 -8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -21.073 2.536 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -19.500 3.091 -9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -19.578 2.127 -7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -22.052 3.559 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -20.595 3.191 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -21.195 4.863 -5.854 1.00 0.00 H new ATOM 271 N ASP A 17 -18.504 6.948 -5.352 1.00 0.00 N ATOM 272 CA ASP A 17 -18.903 7.813 -4.248 1.00 0.00 C ATOM 273 C ASP A 17 -18.618 9.276 -4.574 1.00 0.00 C ATOM 274 O ASP A 17 -19.383 10.165 -4.201 1.00 0.00 O ATOM 275 CB ASP A 17 -18.170 7.411 -2.967 1.00 0.00 C ATOM 276 CG ASP A 17 -18.554 6.024 -2.492 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.210 5.292 -3.263 1.00 0.00 O ATOM 278 OD2 ASP A 17 -18.199 5.669 -1.348 1.00 0.00 O ATOM 0 H ASP A 17 -17.813 6.240 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.976 7.696 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.095 7.448 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.391 8.135 -2.183 1.00 0.00 H new ATOM 283 N ASP A 18 -17.513 9.517 -5.271 1.00 0.00 N ATOM 284 CA ASP A 18 -17.127 10.872 -5.647 1.00 0.00 C ATOM 285 C ASP A 18 -18.107 11.455 -6.661 1.00 0.00 C ATOM 286 O ASP A 18 -18.591 12.574 -6.499 1.00 0.00 O ATOM 287 CB ASP A 18 -15.711 10.880 -6.225 1.00 0.00 C ATOM 288 CG ASP A 18 -15.352 12.208 -6.862 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.197 13.199 -6.118 1.00 0.00 O ATOM 290 OD2 ASP A 18 -15.228 12.257 -8.104 1.00 0.00 O ATOM 0 H ASP A 18 -16.869 8.792 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.149 11.491 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.997 10.656 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.621 10.088 -6.968 1.00 0.00 H new ATOM 295 N ALA A 19 -18.393 10.687 -7.708 1.00 0.00 N ATOM 296 CA ALA A 19 -19.315 11.127 -8.748 1.00 0.00 C ATOM 297 C ALA A 19 -20.695 11.420 -8.169 1.00 0.00 C ATOM 298 O ALA A 19 -21.190 12.544 -8.256 1.00 0.00 O ATOM 299 CB ALA A 19 -19.413 10.077 -9.845 1.00 0.00 C ATOM 0 H ALA A 19 -18.000 9.758 -7.858 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.926 12.050 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.105 10.419 -10.615 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.429 9.918 -10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.776 9.141 -9.421 1.00 0.00 H new ATOM 305 N LYS A 20 -21.313 10.402 -7.579 1.00 0.00 N ATOM 306 CA LYS A 20 -22.636 10.550 -6.985 1.00 0.00 C ATOM 307 C LYS A 20 -22.667 11.721 -6.008 1.00 0.00 C ATOM 308 O LYS A 20 -23.662 12.439 -5.917 1.00 0.00 O ATOM 309 CB LYS A 20 -23.042 9.262 -6.266 1.00 0.00 C ATOM 310 CG LYS A 20 -22.062 8.833 -5.188 1.00 0.00 C ATOM 311 CD LYS A 20 -22.495 9.318 -3.815 1.00 0.00 C ATOM 312 CE LYS A 20 -23.617 8.461 -3.249 1.00 0.00 C ATOM 313 NZ LYS A 20 -24.718 9.289 -2.685 1.00 0.00 N ATOM 0 H LYS A 20 -20.918 9.465 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.346 10.751 -7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.025 9.401 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.137 8.461 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -21.980 7.746 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -21.072 9.226 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.643 9.298 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -22.826 10.354 -3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -24.013 7.817 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -23.219 7.809 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -25.028 8.883 -1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -24.378 10.260 -2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -25.517 9.303 -3.350 1.00 0.00 H new ATOM 327 N ALA A 21 -21.570 11.909 -5.282 1.00 0.00 N ATOM 328 CA ALA A 21 -21.470 12.995 -4.315 1.00 0.00 C ATOM 329 C ALA A 21 -21.496 14.352 -5.010 1.00 0.00 C ATOM 330 O ALA A 21 -22.173 15.276 -4.560 1.00 0.00 O ATOM 331 CB ALA A 21 -20.203 12.848 -3.485 1.00 0.00 C ATOM 0 H ALA A 21 -20.738 11.323 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.333 12.939 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.141 13.666 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.226 11.898 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.333 12.875 -4.141 1.00 0.00 H new ATOM 337 N GLU A 22 -20.753 14.464 -6.107 1.00 0.00 N ATOM 338 CA GLU A 22 -20.691 15.710 -6.862 1.00 0.00 C ATOM 339 C GLU A 22 -22.072 16.104 -7.377 1.00 0.00 C ATOM 340 O GLU A 22 -22.433 17.281 -7.381 1.00 0.00 O ATOM 341 CB GLU A 22 -19.717 15.574 -8.034 1.00 0.00 C ATOM 342 CG GLU A 22 -18.746 16.737 -8.156 1.00 0.00 C ATOM 343 CD GLU A 22 -17.368 16.301 -8.616 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.583 15.825 -7.769 1.00 0.00 O ATOM 345 OE2 GLU A 22 -17.076 16.436 -9.822 1.00 0.00 O ATOM 0 H GLU A 22 -20.187 13.708 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.335 16.493 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.151 14.649 -7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.286 15.487 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.146 17.467 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.661 17.238 -7.191 1.00 0.00 H new ATOM 352 N ALA A 23 -22.840 15.110 -7.812 1.00 0.00 N ATOM 353 CA ALA A 23 -24.182 15.352 -8.329 1.00 0.00 C ATOM 354 C ALA A 23 -25.188 15.505 -7.193 1.00 0.00 C ATOM 355 O ALA A 23 -26.269 16.060 -7.381 1.00 0.00 O ATOM 356 CB ALA A 23 -24.600 14.222 -9.259 1.00 0.00 C ATOM 0 H ALA A 23 -22.556 14.130 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.166 16.285 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.604 14.415 -9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.902 14.161 -10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.594 13.279 -8.712 1.00 0.00 H new ATOM 362 N ASN A 24 -24.824 15.008 -6.015 1.00 0.00 N ATOM 363 CA ASN A 24 -25.696 15.089 -4.849 1.00 0.00 C ATOM 364 C ASN A 24 -25.459 16.387 -4.082 1.00 0.00 C ATOM 365 O ASN A 24 -26.307 16.825 -3.304 1.00 0.00 O ATOM 366 CB ASN A 24 -25.465 13.890 -3.929 1.00 0.00 C ATOM 367 CG ASN A 24 -26.412 12.743 -4.224 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.631 12.916 -4.233 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.854 11.562 -4.467 1.00 0.00 N ATOM 0 H ASN A 24 -23.931 14.545 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.729 15.077 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.437 13.545 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.589 14.202 -2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.441 10.753 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.839 11.464 -4.449 1.00 0.00 H new ATOM 376 N LYS A 25 -24.301 16.998 -4.307 1.00 0.00 N ATOM 377 CA LYS A 25 -23.952 18.246 -3.640 1.00 0.00 C ATOM 378 C LYS A 25 -24.494 19.445 -4.410 1.00 0.00 C ATOM 379 O LYS A 25 -24.852 20.465 -3.819 1.00 0.00 O ATOM 380 CB LYS A 25 -22.432 18.364 -3.496 1.00 0.00 C ATOM 381 CG LYS A 25 -21.965 18.488 -2.057 1.00 0.00 C ATOM 382 CD LYS A 25 -22.411 17.300 -1.221 1.00 0.00 C ATOM 383 CE LYS A 25 -21.547 17.136 0.020 1.00 0.00 C ATOM 384 NZ LYS A 25 -22.181 17.747 1.222 1.00 0.00 N ATOM 0 H LYS A 25 -23.588 16.649 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.406 18.238 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.964 17.489 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.089 19.234 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.878 18.564 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.359 19.407 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.452 17.432 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.362 16.392 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.370 16.076 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.574 17.597 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.561 17.614 2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.327 18.764 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.098 17.290 1.401 1.00 0.00 H new ATOM 398 N ILE A 26 -24.555 19.316 -5.731 1.00 0.00 N ATOM 399 CA ILE A 26 -25.056 20.389 -6.581 1.00 0.00 C ATOM 400 C ILE A 26 -26.569 20.534 -6.448 1.00 0.00 C ATOM 401 O ILE A 26 -27.101 21.644 -6.474 1.00 0.00 O ATOM 402 CB ILE A 26 -24.703 20.148 -8.060 1.00 0.00 C ATOM 403 CG1 ILE A 26 -25.294 18.820 -8.539 1.00 0.00 C ATOM 404 CG2 ILE A 26 -23.194 20.162 -8.253 1.00 0.00 C ATOM 405 CD1 ILE A 26 -26.609 18.973 -9.271 1.00 0.00 C ATOM 0 H ILE A 26 -24.264 18.479 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.574 21.308 -6.247 1.00 0.00 H new ATOM 0 HB ILE A 26 -25.134 20.952 -8.657 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -24.577 18.328 -9.196 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -25.440 18.165 -7.680 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -22.960 19.990 -9.304 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.797 21.130 -7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.742 19.376 -7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.969 17.992 -9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -27.342 19.436 -8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -26.465 19.601 -10.150 1.00 0.00 H new ATOM 417 N ILE A 27 -27.255 19.405 -6.305 1.00 0.00 N ATOM 418 CA ILE A 27 -28.706 19.406 -6.165 1.00 0.00 C ATOM 419 C ILE A 27 -29.126 19.935 -4.798 1.00 0.00 C ATOM 420 O ILE A 27 -30.181 20.553 -4.658 1.00 0.00 O ATOM 421 CB ILE A 27 -29.291 17.995 -6.359 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.583 16.995 -5.443 1.00 0.00 C ATOM 423 CG2 ILE A 27 -29.170 17.567 -7.814 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.506 16.330 -4.446 1.00 0.00 C ATOM 0 H ILE A 27 -26.830 18.478 -6.283 1.00 0.00 H new ATOM 0 HA ILE A 27 -29.098 20.063 -6.942 1.00 0.00 H new ATOM 0 HB ILE A 27 -30.348 18.016 -6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -28.108 16.228 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.788 17.509 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -29.588 16.568 -7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -29.716 18.268 -8.446 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -28.120 17.559 -8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.936 15.634 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.961 17.089 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.287 15.787 -4.979 1.00 0.00 H new ATOM 436 N SER A 28 -28.292 19.689 -3.793 1.00 0.00 N ATOM 437 CA SER A 28 -28.577 20.139 -2.436 1.00 0.00 C ATOM 438 C SER A 28 -28.128 21.583 -2.236 1.00 0.00 C ATOM 439 O SER A 28 -28.884 22.416 -1.737 1.00 0.00 O ATOM 440 CB SER A 28 -27.883 19.231 -1.418 1.00 0.00 C ATOM 441 OG SER A 28 -26.522 19.032 -1.759 1.00 0.00 O ATOM 0 H SER A 28 -27.413 19.181 -3.893 1.00 0.00 H new ATOM 0 HA SER A 28 -29.655 20.088 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.952 19.674 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 28 -28.395 18.270 -1.375 1.00 0.00 H new ATOM 0 HG SER A 28 -26.449 18.290 -2.395 1.00 0.00 H new ATOM 447 N GLU A 29 -26.891 21.871 -2.630 1.00 0.00 N ATOM 448 CA GLU A 29 -26.340 23.214 -2.493 1.00 0.00 C ATOM 449 C GLU A 29 -27.150 24.220 -3.306 1.00 0.00 C ATOM 450 O GLU A 29 -27.116 25.421 -3.039 1.00 0.00 O ATOM 451 CB GLU A 29 -24.878 23.237 -2.944 1.00 0.00 C ATOM 452 CG GLU A 29 -23.935 22.527 -1.988 1.00 0.00 C ATOM 453 CD GLU A 29 -23.158 23.490 -1.111 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.121 24.009 -1.573 1.00 0.00 O ATOM 455 OE2 GLU A 29 -23.588 23.724 0.038 1.00 0.00 O ATOM 0 H GLU A 29 -26.253 21.193 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.393 23.496 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.803 22.773 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.557 24.273 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.508 21.848 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -23.236 21.917 -2.560 1.00 0.00 H new ATOM 462 N ALA A 30 -27.877 23.720 -4.300 1.00 0.00 N ATOM 463 CA ALA A 30 -28.697 24.573 -5.151 1.00 0.00 C ATOM 464 C ALA A 30 -30.063 24.826 -4.522 1.00 0.00 C ATOM 465 O ALA A 30 -30.378 25.950 -4.133 1.00 0.00 O ATOM 466 CB ALA A 30 -28.856 23.947 -6.529 1.00 0.00 C ATOM 0 H ALA A 30 -27.915 22.728 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 30 -28.191 25.533 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -29.471 24.595 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.875 23.824 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -29.336 22.973 -6.433 1.00 0.00 H new ATOM 472 N GLU A 31 -30.869 23.773 -4.426 1.00 0.00 N ATOM 473 CA GLU A 31 -32.202 23.883 -3.845 1.00 0.00 C ATOM 474 C GLU A 31 -32.148 24.576 -2.486 1.00 0.00 C ATOM 475 O GLU A 31 -33.091 25.260 -2.088 1.00 0.00 O ATOM 476 CB GLU A 31 -32.835 22.498 -3.699 1.00 0.00 C ATOM 477 CG GLU A 31 -32.091 21.587 -2.737 1.00 0.00 C ATOM 478 CD GLU A 31 -32.796 21.445 -1.402 1.00 0.00 C ATOM 479 OE1 GLU A 31 -32.840 22.439 -0.647 1.00 0.00 O ATOM 480 OE2 GLU A 31 -33.305 20.342 -1.114 1.00 0.00 O ATOM 0 H GLU A 31 -30.622 22.835 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.814 24.485 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.863 22.612 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -32.877 22.022 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.978 20.602 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -31.088 21.980 -2.573 1.00 0.00 H new ATOM 487 N ALA A 32 -31.038 24.392 -1.779 1.00 0.00 N ATOM 488 CA ALA A 32 -30.859 24.999 -0.466 1.00 0.00 C ATOM 489 C ALA A 32 -30.711 26.513 -0.577 1.00 0.00 C ATOM 490 O ALA A 32 -31.608 27.263 -0.195 1.00 0.00 O ATOM 491 CB ALA A 32 -29.649 24.398 0.234 1.00 0.00 C ATOM 0 H ALA A 32 -30.249 23.827 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.749 24.789 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.528 24.861 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.795 23.325 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.756 24.577 -0.365 1.00 0.00 H new ATOM 497 N GLU A 33 -29.572 26.954 -1.102 1.00 0.00 N ATOM 498 CA GLU A 33 -29.306 28.379 -1.261 1.00 0.00 C ATOM 499 C GLU A 33 -30.440 29.062 -2.020 1.00 0.00 C ATOM 500 O GLU A 33 -30.759 30.225 -1.769 1.00 0.00 O ATOM 501 CB GLU A 33 -27.982 28.595 -1.997 1.00 0.00 C ATOM 502 CG GLU A 33 -28.042 28.239 -3.473 1.00 0.00 C ATOM 503 CD GLU A 33 -26.669 28.178 -4.114 1.00 0.00 C ATOM 504 OE1 GLU A 33 -25.666 28.174 -3.371 1.00 0.00 O ATOM 505 OE2 GLU A 33 -26.599 28.134 -5.361 1.00 0.00 O ATOM 0 H GLU A 33 -28.819 26.346 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.237 28.823 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.685 29.639 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.208 27.996 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -28.537 27.275 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -28.651 28.976 -3.996 1.00 0.00 H new ATOM 512 N LYS A 34 -31.046 28.332 -2.950 1.00 0.00 N ATOM 513 CA LYS A 34 -32.145 28.865 -3.746 1.00 0.00 C ATOM 514 C LYS A 34 -33.338 29.216 -2.862 1.00 0.00 C ATOM 515 O LYS A 34 -33.693 30.385 -2.718 1.00 0.00 O ATOM 516 CB LYS A 34 -32.568 27.852 -4.812 1.00 0.00 C ATOM 517 CG LYS A 34 -33.872 28.207 -5.505 1.00 0.00 C ATOM 518 CD LYS A 34 -34.298 27.122 -6.481 1.00 0.00 C ATOM 519 CE LYS A 34 -35.810 26.969 -6.519 1.00 0.00 C ATOM 520 NZ LYS A 34 -36.246 25.637 -6.015 1.00 0.00 N ATOM 0 H LYS A 34 -30.794 27.369 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.798 29.775 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -31.779 27.773 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -32.668 26.870 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -34.653 28.354 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -33.757 29.152 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -33.931 27.364 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -33.842 26.174 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -36.270 27.753 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -36.163 27.104 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -37.283 25.572 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -35.828 24.889 -6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -35.932 25.518 -5.031 1.00 0.00 H new ATOM 534 N ALA A 35 -33.950 28.195 -2.270 1.00 0.00 N ATOM 535 CA ALA A 35 -35.100 28.397 -1.397 1.00 0.00 C ATOM 536 C ALA A 35 -34.751 29.317 -0.233 1.00 0.00 C ATOM 537 O ALA A 35 -35.634 29.876 0.417 1.00 0.00 O ATOM 538 CB ALA A 35 -35.611 27.060 -0.881 1.00 0.00 C ATOM 0 H ALA A 35 -33.669 27.221 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.888 28.875 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.470 27.225 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.909 26.435 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.821 26.561 -0.320 1.00 0.00 H new ATOM 544 N LYS A 36 -33.457 29.471 0.026 1.00 0.00 N ATOM 545 CA LYS A 36 -32.989 30.324 1.112 1.00 0.00 C ATOM 546 C LYS A 36 -32.964 31.787 0.682 1.00 0.00 C ATOM 547 O LYS A 36 -33.499 32.656 1.372 1.00 0.00 O ATOM 548 CB LYS A 36 -31.593 29.890 1.564 1.00 0.00 C ATOM 549 CG LYS A 36 -31.201 30.429 2.929 1.00 0.00 C ATOM 550 CD LYS A 36 -29.693 30.436 3.114 1.00 0.00 C ATOM 551 CE LYS A 36 -29.075 31.731 2.610 1.00 0.00 C ATOM 552 NZ LYS A 36 -27.655 31.871 3.036 1.00 0.00 N ATOM 0 H LYS A 36 -32.713 29.015 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.682 30.221 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.550 28.801 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.862 30.223 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -31.587 31.441 3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.661 29.820 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -29.454 30.305 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -29.256 29.592 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.132 31.761 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -29.651 32.578 2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.270 32.766 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -27.602 31.868 4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -27.099 31.077 2.659 1.00 0.00 H new ATOM 566 N ILE A 37 -32.341 32.052 -0.461 1.00 0.00 N ATOM 567 CA ILE A 37 -32.250 33.410 -0.984 1.00 0.00 C ATOM 568 C ILE A 37 -33.582 33.865 -1.571 1.00 0.00 C ATOM 569 O ILE A 37 -33.897 35.055 -1.574 1.00 0.00 O ATOM 570 CB ILE A 37 -31.159 33.525 -2.065 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.593 32.795 -3.337 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.841 32.965 -1.549 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.547 32.812 -4.430 1.00 0.00 C ATOM 0 H ILE A 37 -31.892 31.345 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.988 34.054 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 37 -31.014 34.578 -2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -31.831 31.761 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.508 33.251 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -29.080 33.053 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.528 33.525 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.970 31.915 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.923 32.276 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -30.325 33.843 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.638 32.329 -4.071 1.00 0.00 H new ATOM 585 N LEU A 38 -34.360 32.909 -2.066 1.00 0.00 N ATOM 586 CA LEU A 38 -35.661 33.210 -2.655 1.00 0.00 C ATOM 587 C LEU A 38 -36.615 33.774 -1.607 1.00 0.00 C ATOM 588 O LEU A 38 -37.387 34.691 -1.887 1.00 0.00 O ATOM 589 CB LEU A 38 -36.261 31.951 -3.283 1.00 0.00 C ATOM 590 CG LEU A 38 -36.057 31.791 -4.790 1.00 0.00 C ATOM 591 CD1 LEU A 38 -36.657 32.970 -5.539 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.577 31.647 -5.115 1.00 0.00 C ATOM 0 H LEU A 38 -34.113 31.919 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.517 33.962 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.834 31.081 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -37.332 31.942 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 38 -36.570 30.885 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -36.502 32.838 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.726 33.027 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -36.174 33.892 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -34.450 31.534 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -34.042 32.535 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -34.177 30.769 -4.609 1.00 0.00 H new ATOM 604 N GLU A 39 -36.555 33.221 -0.400 1.00 0.00 N ATOM 605 CA GLU A 39 -37.414 33.671 0.689 1.00 0.00 C ATOM 606 C GLU A 39 -36.745 34.789 1.484 1.00 0.00 C ATOM 607 O GLU A 39 -37.415 35.671 2.021 1.00 0.00 O ATOM 608 CB GLU A 39 -37.752 32.502 1.618 1.00 0.00 C ATOM 609 CG GLU A 39 -39.162 31.966 1.433 1.00 0.00 C ATOM 610 CD GLU A 39 -40.078 32.325 2.587 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.312 33.532 2.805 1.00 0.00 O ATOM 612 OE2 GLU A 39 -40.560 31.399 3.272 1.00 0.00 O ATOM 0 H GLU A 39 -35.921 32.461 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.335 34.059 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -37.040 31.695 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.627 32.823 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -39.579 32.362 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -39.124 30.882 1.328 1.00 0.00 H new ATOM 619 N LYS A 40 -35.419 34.744 1.554 1.00 0.00 N ATOM 620 CA LYS A 40 -34.657 35.753 2.281 1.00 0.00 C ATOM 621 C LYS A 40 -34.639 37.074 1.520 1.00 0.00 C ATOM 622 O LYS A 40 -34.858 38.138 2.099 1.00 0.00 O ATOM 623 CB LYS A 40 -33.224 35.267 2.516 1.00 0.00 C ATOM 624 CG LYS A 40 -32.373 36.245 3.307 1.00 0.00 C ATOM 625 CD LYS A 40 -31.525 35.532 4.347 1.00 0.00 C ATOM 626 CE LYS A 40 -32.378 34.976 5.477 1.00 0.00 C ATOM 627 NZ LYS A 40 -32.033 35.593 6.787 1.00 0.00 N ATOM 0 H LYS A 40 -34.850 34.020 1.116 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.142 35.916 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.254 34.314 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.749 35.082 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -31.726 36.799 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.017 36.974 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -30.973 34.720 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -30.788 36.224 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -33.431 35.153 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -32.242 33.896 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -32.636 35.188 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -31.035 35.403 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -32.187 36.620 6.738 1.00 0.00 H new ATOM 641 N ALA A 41 -34.377 37.000 0.219 1.00 0.00 N ATOM 642 CA ALA A 41 -34.334 38.190 -0.621 1.00 0.00 C ATOM 643 C ALA A 41 -35.730 38.767 -0.828 1.00 0.00 C ATOM 644 O ALA A 41 -35.972 39.945 -0.566 1.00 0.00 O ATOM 645 CB ALA A 41 -33.689 37.867 -1.961 1.00 0.00 C ATOM 0 H ALA A 41 -34.191 36.128 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.731 38.942 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.663 38.765 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.672 37.509 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.269 37.095 -2.467 1.00 0.00 H new ATOM 651 N LYS A 42 -36.646 37.929 -1.301 1.00 0.00 N ATOM 652 CA LYS A 42 -38.020 38.354 -1.544 1.00 0.00 C ATOM 653 C LYS A 42 -38.623 38.985 -0.293 1.00 0.00 C ATOM 654 O LYS A 42 -39.521 39.822 -0.381 1.00 0.00 O ATOM 655 CB LYS A 42 -38.873 37.164 -1.990 1.00 0.00 C ATOM 656 CG LYS A 42 -40.256 37.557 -2.480 1.00 0.00 C ATOM 657 CD LYS A 42 -41.107 36.336 -2.785 1.00 0.00 C ATOM 658 CE LYS A 42 -41.205 36.084 -4.282 1.00 0.00 C ATOM 659 NZ LYS A 42 -42.427 35.310 -4.635 1.00 0.00 N ATOM 0 H LYS A 42 -36.462 36.951 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 42 -38.008 39.101 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.352 36.632 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.976 36.469 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.751 38.167 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -40.165 38.171 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -40.679 35.461 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -42.106 36.475 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -41.213 37.037 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -40.322 35.541 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -42.457 35.159 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -42.407 34.390 -4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -43.271 35.840 -4.338 1.00 0.00 H new ATOM 673 N GLU A 43 -38.122 38.579 0.870 1.00 0.00 N ATOM 674 CA GLU A 43 -38.613 39.106 2.138 1.00 0.00 C ATOM 675 C GLU A 43 -37.839 40.357 2.543 1.00 0.00 C ATOM 676 O GLU A 43 -38.409 41.441 2.660 1.00 0.00 O ATOM 677 CB GLU A 43 -38.499 38.045 3.235 1.00 0.00 C ATOM 678 CG GLU A 43 -38.805 38.572 4.626 1.00 0.00 C ATOM 679 CD GLU A 43 -38.899 37.468 5.661 1.00 0.00 C ATOM 680 OE1 GLU A 43 -39.855 36.668 5.591 1.00 0.00 O ATOM 681 OE2 GLU A 43 -38.016 37.405 6.542 1.00 0.00 O ATOM 0 H GLU A 43 -37.377 37.888 0.960 1.00 0.00 H new ATOM 0 HA GLU A 43 -39.662 39.374 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.181 37.225 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.490 37.632 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.028 39.277 4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -39.745 39.124 4.603 1.00 0.00 H new ATOM 688 N GLU A 44 -36.536 40.197 2.755 1.00 0.00 N ATOM 689 CA GLU A 44 -35.684 41.313 3.148 1.00 0.00 C ATOM 690 C GLU A 44 -35.867 42.496 2.203 1.00 0.00 C ATOM 691 O GLU A 44 -35.763 43.653 2.611 1.00 0.00 O ATOM 692 CB GLU A 44 -34.216 40.882 3.165 1.00 0.00 C ATOM 693 CG GLU A 44 -33.600 40.763 1.781 1.00 0.00 C ATOM 694 CD GLU A 44 -32.382 39.861 1.760 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.112 39.203 2.786 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.699 39.812 0.716 1.00 0.00 O ATOM 0 H GLU A 44 -36.048 39.306 2.661 1.00 0.00 H new ATOM 0 HA GLU A 44 -35.976 41.623 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -33.642 41.602 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.134 39.921 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.346 40.376 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.319 41.755 1.426 1.00 0.00 H new ATOM 703 N ALA A 45 -36.140 42.198 0.937 1.00 0.00 N ATOM 704 CA ALA A 45 -36.338 43.236 -0.067 1.00 0.00 C ATOM 705 C ALA A 45 -37.617 44.022 0.202 1.00 0.00 C ATOM 706 O ALA A 45 -37.569 45.201 0.551 1.00 0.00 O ATOM 707 CB ALA A 45 -36.376 42.624 -1.459 1.00 0.00 C ATOM 0 H ALA A 45 -36.229 41.246 0.582 1.00 0.00 H new ATOM 0 HA ALA A 45 -35.498 43.928 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.524 43.411 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.434 42.113 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -37.197 41.909 -1.520 1.00 0.00 H new ATOM 713 N GLU A 46 -38.759 43.362 0.037 1.00 0.00 N ATOM 714 CA GLU A 46 -40.050 44.001 0.261 1.00 0.00 C ATOM 715 C GLU A 46 -40.137 44.570 1.674 1.00 0.00 C ATOM 716 O GLU A 46 -40.898 45.502 1.935 1.00 0.00 O ATOM 717 CB GLU A 46 -41.186 43.002 0.030 1.00 0.00 C ATOM 718 CG GLU A 46 -41.348 41.995 1.155 1.00 0.00 C ATOM 719 CD GLU A 46 -42.509 42.327 2.073 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.668 42.082 1.677 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.258 42.832 3.187 1.00 0.00 O ATOM 0 H GLU A 46 -38.816 42.385 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.149 44.822 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -42.120 43.549 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.004 42.467 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -41.498 41.002 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -40.428 41.956 1.738 1.00 0.00 H new ATOM 728 N LYS A 47 -39.353 44.001 2.584 1.00 0.00 N ATOM 729 CA LYS A 47 -39.340 44.450 3.971 1.00 0.00 C ATOM 730 C LYS A 47 -38.505 45.717 4.125 1.00 0.00 C ATOM 731 O LYS A 47 -38.950 46.696 4.723 1.00 0.00 O ATOM 732 CB LYS A 47 -38.788 43.349 4.879 1.00 0.00 C ATOM 733 CG LYS A 47 -38.349 43.850 6.244 1.00 0.00 C ATOM 734 CD LYS A 47 -36.869 44.194 6.263 1.00 0.00 C ATOM 735 CE LYS A 47 -36.101 43.297 7.222 1.00 0.00 C ATOM 736 NZ LYS A 47 -36.406 43.616 8.644 1.00 0.00 N ATOM 0 H LYS A 47 -38.718 43.228 2.385 1.00 0.00 H new ATOM 0 HA LYS A 47 -40.366 44.674 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -39.551 42.582 5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -37.940 42.874 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -38.932 44.731 6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -38.556 43.088 6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -36.458 44.092 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -36.740 45.236 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -36.350 42.255 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -35.031 43.409 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -35.863 42.983 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -36.145 44.603 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -37.423 43.485 8.819 1.00 0.00 H new