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 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 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.0547 (180deg=-0.819) 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 -12.515 -2.621 -4.554 1.00 0.00 N ATOM 126 CA ASP A 9 -13.653 -2.048 -3.845 1.00 0.00 C ATOM 127 C ASP A 9 -13.417 -0.571 -3.542 1.00 0.00 C ATOM 128 O ASP A 9 -14.361 0.212 -3.442 1.00 0.00 O ATOM 129 CB ASP A 9 -13.910 -2.813 -2.546 1.00 0.00 C ATOM 130 CG ASP A 9 -14.821 -4.008 -2.749 1.00 0.00 C ATOM 131 OD1 ASP A 9 -14.560 -4.801 -3.677 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.794 -4.151 -1.979 1.00 0.00 O ATOM 0 HA ASP A 9 -14.530 -2.133 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.960 -3.150 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.356 -2.140 -1.813 1.00 0.00 H new ATOM 137 N LYS A 10 -12.150 -0.198 -3.396 1.00 0.00 N ATOM 138 CA LYS A 10 -11.788 1.184 -3.105 1.00 0.00 C ATOM 139 C LYS A 10 -11.890 2.048 -4.357 1.00 0.00 C ATOM 140 O LYS A 10 -12.526 3.103 -4.344 1.00 0.00 O ATOM 141 CB LYS A 10 -10.367 1.252 -2.539 1.00 0.00 C ATOM 142 CG LYS A 10 -10.268 0.811 -1.089 1.00 0.00 C ATOM 143 CD LYS A 10 -10.588 1.950 -0.137 1.00 0.00 C ATOM 144 CE LYS A 10 -9.769 1.855 1.142 1.00 0.00 C ATOM 145 NZ LYS A 10 -10.058 2.982 2.071 1.00 0.00 N ATOM 0 H LYS A 10 -11.356 -0.834 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.487 1.568 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.713 0.626 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.999 2.274 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.955 -0.016 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.263 0.439 -0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.389 2.903 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.650 1.933 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.983 0.910 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.708 1.852 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.480 2.881 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.830 3.883 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.066 2.970 2.328 1.00 0.00 H new ATOM 159 N ILE A 11 -11.261 1.595 -5.436 1.00 0.00 N ATOM 160 CA ILE A 11 -11.284 2.327 -6.697 1.00 0.00 C ATOM 161 C ILE A 11 -12.689 2.358 -7.289 1.00 0.00 C ATOM 162 O ILE A 11 -13.111 3.362 -7.863 1.00 0.00 O ATOM 163 CB ILE A 11 -10.319 1.707 -7.725 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.652 0.230 -7.943 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.878 1.868 -7.264 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.654 -0.006 -9.052 1.00 0.00 C ATOM 0 H ILE A 11 -10.729 0.725 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.963 3.345 -6.477 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.437 2.231 -8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.734 -0.311 -8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.044 -0.187 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.208 1.425 -8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.647 2.928 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.745 1.367 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.843 -1.075 -9.151 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.586 0.507 -8.815 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.256 0.380 -9.990 1.00 0.00 H new ATOM 178 N LYS A 12 -13.410 1.252 -7.143 1.00 0.00 N ATOM 179 CA LYS A 12 -14.770 1.152 -7.660 1.00 0.00 C ATOM 180 C LYS A 12 -15.729 2.009 -6.840 1.00 0.00 C ATOM 181 O LYS A 12 -16.756 2.463 -7.343 1.00 0.00 O ATOM 182 CB LYS A 12 -15.236 -0.306 -7.649 1.00 0.00 C ATOM 183 CG LYS A 12 -16.711 -0.476 -7.969 1.00 0.00 C ATOM 184 CD LYS A 12 -17.527 -0.734 -6.713 1.00 0.00 C ATOM 185 CE LYS A 12 -18.649 0.281 -6.560 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.758 -0.241 -5.714 1.00 0.00 N ATOM 0 H LYS A 12 -13.076 0.412 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.769 1.520 -8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.649 -0.872 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.034 -0.736 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.082 0.420 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.840 -1.305 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.947 -1.739 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.876 -0.693 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.254 1.195 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.036 0.545 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.503 0.480 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.152 -1.099 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.394 -0.469 -4.767 1.00 0.00 H new ATOM 200 N SER A 13 -15.385 2.226 -5.574 1.00 0.00 N ATOM 201 CA SER A 13 -16.217 3.027 -4.683 1.00 0.00 C ATOM 202 C SER A 13 -15.800 4.494 -4.723 1.00 0.00 C ATOM 203 O SER A 13 -16.597 5.387 -4.437 1.00 0.00 O ATOM 204 CB SER A 13 -16.124 2.497 -3.251 1.00 0.00 C ATOM 205 OG SER A 13 -16.976 3.224 -2.382 1.00 0.00 O ATOM 0 H SER A 13 -14.537 1.859 -5.143 1.00 0.00 H new ATOM 0 HA SER A 13 -17.249 2.952 -5.024 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.395 1.441 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.095 2.568 -2.900 1.00 0.00 H new ATOM 0 HG SER A 13 -16.900 2.865 -1.473 1.00 0.00 H new ATOM 211 N LYS A 14 -14.543 4.735 -5.080 1.00 0.00 N ATOM 212 CA LYS A 14 -14.017 6.093 -5.159 1.00 0.00 C ATOM 213 C LYS A 14 -14.774 6.910 -6.201 1.00 0.00 C ATOM 214 O LYS A 14 -15.500 7.845 -5.862 1.00 0.00 O ATOM 215 CB LYS A 14 -12.526 6.065 -5.503 1.00 0.00 C ATOM 216 CG LYS A 14 -11.745 7.231 -4.922 1.00 0.00 C ATOM 217 CD LYS A 14 -12.372 8.563 -5.297 1.00 0.00 C ATOM 218 CE LYS A 14 -12.374 8.774 -6.804 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.505 9.914 -7.206 1.00 0.00 N ATOM 0 H LYS A 14 -13.869 4.007 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.151 6.565 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.095 5.133 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.412 6.066 -6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.705 7.139 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.717 7.197 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.395 8.604 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.823 9.373 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.032 7.865 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.393 8.957 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.534 10.025 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.846 10.787 -6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.527 9.728 -6.905 1.00 0.00 H new ATOM 233 N ILE A 15 -14.601 6.550 -7.468 1.00 0.00 N ATOM 234 CA ILE A 15 -15.271 7.249 -8.558 1.00 0.00 C ATOM 235 C ILE A 15 -16.786 7.217 -8.384 1.00 0.00 C ATOM 236 O ILE A 15 -17.472 8.209 -8.633 1.00 0.00 O ATOM 237 CB ILE A 15 -14.910 6.638 -9.925 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.394 6.470 -10.049 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.446 7.507 -11.052 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.954 5.028 -10.172 1.00 0.00 C ATOM 0 H ILE A 15 -14.003 5.779 -7.765 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.926 8.283 -8.528 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.373 5.654 -10.000 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.045 7.023 -10.921 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.915 6.915 -9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.183 7.062 -12.011 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.531 7.580 -10.971 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.009 8.503 -10.982 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.868 4.985 -10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.272 4.474 -9.289 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.405 4.585 -11.060 1.00 0.00 H new ATOM 252 N LEU A 16 -17.301 6.071 -7.952 1.00 0.00 N ATOM 253 CA LEU A 16 -18.736 5.909 -7.742 1.00 0.00 C ATOM 254 C LEU A 16 -19.243 6.879 -6.680 1.00 0.00 C ATOM 255 O LEU A 16 -20.115 7.707 -6.946 1.00 0.00 O ATOM 256 CB LEU A 16 -19.051 4.471 -7.327 1.00 0.00 C ATOM 257 CG LEU A 16 -19.332 3.491 -8.467 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.707 3.746 -9.064 1.00 0.00 C ATOM 259 CD2 LEU A 16 -18.255 3.595 -9.537 1.00 0.00 C ATOM 0 H LEU A 16 -16.747 5.241 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.243 6.129 -8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.212 4.090 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.917 4.486 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.317 2.479 -8.063 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.889 3.039 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.467 3.619 -8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.752 4.763 -9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.471 2.891 -10.340 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.237 4.608 -9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -17.284 3.361 -9.100 1.00 0.00 H new ATOM 271 N ASP A 17 -18.691 6.773 -5.476 1.00 0.00 N ATOM 272 CA ASP A 17 -19.085 7.643 -4.374 1.00 0.00 C ATOM 273 C ASP A 17 -18.778 9.102 -4.697 1.00 0.00 C ATOM 274 O ASP A 17 -19.543 10.000 -4.345 1.00 0.00 O ATOM 275 CB ASP A 17 -18.366 7.230 -3.089 1.00 0.00 C ATOM 276 CG ASP A 17 -19.033 7.790 -1.848 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.301 9.010 -1.816 1.00 0.00 O ATOM 278 OD2 ASP A 17 -19.288 7.008 -0.908 1.00 0.00 O ATOM 0 H ASP A 17 -17.969 6.093 -5.238 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.160 7.541 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.339 6.142 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.332 7.572 -3.128 1.00 0.00 H new ATOM 283 N ASP A 18 -17.655 9.330 -5.368 1.00 0.00 N ATOM 284 CA ASP A 18 -17.247 10.681 -5.739 1.00 0.00 C ATOM 285 C ASP A 18 -18.243 11.301 -6.714 1.00 0.00 C ATOM 286 O ASP A 18 -18.800 12.367 -6.452 1.00 0.00 O ATOM 287 CB ASP A 18 -15.850 10.661 -6.362 1.00 0.00 C ATOM 288 CG ASP A 18 -15.500 11.972 -7.039 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.138 12.931 -6.324 1.00 0.00 O ATOM 290 OD2 ASP A 18 -15.586 12.039 -8.282 1.00 0.00 O ATOM 0 H ASP A 18 -17.011 8.598 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.225 11.289 -4.835 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.113 10.447 -5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.792 9.852 -7.090 1.00 0.00 H new ATOM 295 N ALA A 19 -18.461 10.627 -7.838 1.00 0.00 N ATOM 296 CA ALA A 19 -19.391 11.112 -8.851 1.00 0.00 C ATOM 297 C ALA A 19 -20.750 11.434 -8.240 1.00 0.00 C ATOM 298 O ALA A 19 -21.227 12.566 -8.321 1.00 0.00 O ATOM 299 CB ALA A 19 -19.540 10.086 -9.964 1.00 0.00 C ATOM 0 H ALA A 19 -18.007 9.744 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.985 12.032 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.237 10.461 -10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.570 9.909 -10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.920 9.152 -9.550 1.00 0.00 H new ATOM 305 N LYS A 20 -21.371 10.432 -7.627 1.00 0.00 N ATOM 306 CA LYS A 20 -22.676 10.607 -7.001 1.00 0.00 C ATOM 307 C LYS A 20 -22.644 11.746 -5.986 1.00 0.00 C ATOM 308 O LYS A 20 -23.624 12.470 -5.821 1.00 0.00 O ATOM 309 CB LYS A 20 -23.114 9.311 -6.316 1.00 0.00 C ATOM 310 CG LYS A 20 -22.316 8.984 -5.066 1.00 0.00 C ATOM 311 CD LYS A 20 -22.809 7.707 -4.407 1.00 0.00 C ATOM 312 CE LYS A 20 -22.404 7.642 -2.942 1.00 0.00 C ATOM 313 NZ LYS A 20 -22.194 6.240 -2.486 1.00 0.00 N ATOM 0 H LYS A 20 -20.991 9.489 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.395 10.859 -7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.169 9.387 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.020 8.487 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -21.262 8.878 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.390 9.811 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -23.895 7.650 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -22.404 6.844 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.488 8.213 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -23.175 8.111 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.919 6.239 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -23.075 5.701 -2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.440 5.800 -3.052 1.00 0.00 H new ATOM 327 N ALA A 21 -21.510 11.898 -5.310 1.00 0.00 N ATOM 328 CA ALA A 21 -21.349 12.950 -4.315 1.00 0.00 C ATOM 329 C ALA A 21 -21.316 14.326 -4.971 1.00 0.00 C ATOM 330 O ALA A 21 -21.964 15.262 -4.504 1.00 0.00 O ATOM 331 CB ALA A 21 -20.083 12.720 -3.503 1.00 0.00 C ATOM 0 H ALA A 21 -20.689 11.305 -5.434 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.208 12.916 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.976 13.514 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.146 11.757 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.219 12.724 -4.167 1.00 0.00 H new ATOM 337 N GLU A 22 -20.556 14.441 -6.056 1.00 0.00 N ATOM 338 CA GLU A 22 -20.438 15.705 -6.774 1.00 0.00 C ATOM 339 C GLU A 22 -21.794 16.155 -7.309 1.00 0.00 C ATOM 340 O GLU A 22 -22.068 17.350 -7.410 1.00 0.00 O ATOM 341 CB GLU A 22 -19.442 15.570 -7.928 1.00 0.00 C ATOM 342 CG GLU A 22 -18.559 16.792 -8.116 1.00 0.00 C ATOM 343 CD GLU A 22 -17.097 16.434 -8.299 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.449 16.056 -7.301 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.602 16.531 -9.442 1.00 0.00 O ATOM 0 H GLU A 22 -20.014 13.676 -6.456 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.074 16.458 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.810 14.699 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.991 15.384 -8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.903 17.354 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.663 17.447 -7.251 1.00 0.00 H new ATOM 352 N ALA A 23 -22.640 15.188 -7.651 1.00 0.00 N ATOM 353 CA ALA A 23 -23.968 15.484 -8.174 1.00 0.00 C ATOM 354 C ALA A 23 -24.985 15.616 -7.045 1.00 0.00 C ATOM 355 O ALA A 23 -26.062 16.181 -7.231 1.00 0.00 O ATOM 356 CB ALA A 23 -24.401 14.404 -9.154 1.00 0.00 C ATOM 0 H ALA A 23 -22.429 14.193 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.921 16.438 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.394 14.637 -9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.694 14.360 -9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.425 13.440 -8.646 1.00 0.00 H new ATOM 362 N ASN A 24 -24.637 15.089 -5.876 1.00 0.00 N ATOM 363 CA ASN A 24 -25.521 15.147 -4.718 1.00 0.00 C ATOM 364 C ASN A 24 -25.258 16.405 -3.895 1.00 0.00 C ATOM 365 O ASN A 24 -26.110 16.844 -3.122 1.00 0.00 O ATOM 366 CB ASN A 24 -25.335 13.905 -3.845 1.00 0.00 C ATOM 367 CG ASN A 24 -26.240 12.762 -4.264 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.381 12.977 -4.671 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.732 11.539 -4.165 1.00 0.00 N ATOM 0 H ASN A 24 -23.749 14.617 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.549 15.178 -5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.296 13.580 -3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.537 14.162 -2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.293 10.730 -4.432 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.780 11.408 -3.822 1.00 0.00 H new ATOM 376 N LYS A 25 -24.073 16.980 -4.067 1.00 0.00 N ATOM 377 CA LYS A 25 -23.696 18.189 -3.343 1.00 0.00 C ATOM 378 C LYS A 25 -24.133 19.437 -4.104 1.00 0.00 C ATOM 379 O LYS A 25 -24.439 20.466 -3.501 1.00 0.00 O ATOM 380 CB LYS A 25 -22.183 18.221 -3.115 1.00 0.00 C ATOM 381 CG LYS A 25 -21.373 18.095 -4.394 1.00 0.00 C ATOM 382 CD LYS A 25 -20.989 19.457 -4.947 1.00 0.00 C ATOM 383 CE LYS A 25 -19.852 20.081 -4.154 1.00 0.00 C ATOM 384 NZ LYS A 25 -18.555 19.995 -4.881 1.00 0.00 N ATOM 0 H LYS A 25 -23.356 16.628 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.202 18.177 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.918 19.154 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.908 17.411 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.472 17.513 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.951 17.548 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.693 19.356 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.856 20.118 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.084 21.126 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.762 19.578 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.806 20.431 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.320 18.997 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.632 20.497 -5.789 1.00 0.00 H new ATOM 398 N ILE A 26 -24.161 19.338 -5.428 1.00 0.00 N ATOM 399 CA ILE A 26 -24.562 20.458 -6.270 1.00 0.00 C ATOM 400 C ILE A 26 -26.052 20.750 -6.122 1.00 0.00 C ATOM 401 O ILE A 26 -26.481 21.900 -6.211 1.00 0.00 O ATOM 402 CB ILE A 26 -24.248 20.190 -7.753 1.00 0.00 C ATOM 403 CG1 ILE A 26 -24.932 18.902 -8.217 1.00 0.00 C ATOM 404 CG2 ILE A 26 -22.744 20.104 -7.969 1.00 0.00 C ATOM 405 CD1 ILE A 26 -26.255 19.137 -8.912 1.00 0.00 C ATOM 0 H ILE A 26 -23.911 18.493 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.989 21.323 -5.937 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.634 21.019 -8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -24.264 18.369 -8.894 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -25.094 18.255 -7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -22.538 19.914 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.279 21.044 -7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.336 19.292 -7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.683 18.181 -9.213 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -26.939 19.642 -8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -26.097 19.758 -9.794 1.00 0.00 H new ATOM 417 N ILE A 27 -26.835 19.700 -5.896 1.00 0.00 N ATOM 418 CA ILE A 27 -28.276 19.844 -5.733 1.00 0.00 C ATOM 419 C ILE A 27 -28.625 20.337 -4.332 1.00 0.00 C ATOM 420 O ILE A 27 -29.618 21.037 -4.139 1.00 0.00 O ATOM 421 CB ILE A 27 -29.008 18.515 -5.994 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.415 17.402 -5.127 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.926 18.145 -7.468 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.407 16.798 -4.158 1.00 0.00 C ATOM 0 H ILE A 27 -26.496 18.741 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.604 20.580 -6.467 1.00 0.00 H new ATOM 0 HB ILE A 27 -30.058 18.638 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -28.027 16.616 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.569 17.800 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -29.448 17.203 -7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -29.390 18.929 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.881 18.037 -7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.918 16.016 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.777 17.572 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.242 16.369 -4.712 1.00 0.00 H new ATOM 436 N SER A 28 -27.799 19.967 -3.358 1.00 0.00 N ATOM 437 CA SER A 28 -28.021 20.370 -1.974 1.00 0.00 C ATOM 438 C SER A 28 -27.488 21.778 -1.727 1.00 0.00 C ATOM 439 O SER A 28 -28.151 22.601 -1.096 1.00 0.00 O ATOM 440 CB SER A 28 -27.347 19.382 -1.020 1.00 0.00 C ATOM 441 OG SER A 28 -28.238 18.345 -0.647 1.00 0.00 O ATOM 0 H SER A 28 -26.971 19.389 -3.502 1.00 0.00 H new ATOM 0 HA SER A 28 -29.095 20.369 -1.788 1.00 0.00 H new ATOM 0 HB2 SER A 28 -26.466 18.954 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.003 19.908 -0.130 1.00 0.00 H new ATOM 0 HG SER A 28 -27.783 17.726 -0.039 1.00 0.00 H new ATOM 447 N GLU A 29 -26.287 22.047 -2.228 1.00 0.00 N ATOM 448 CA GLU A 29 -25.665 23.355 -2.061 1.00 0.00 C ATOM 449 C GLU A 29 -26.416 24.420 -2.854 1.00 0.00 C ATOM 450 O GLU A 29 -26.353 25.607 -2.534 1.00 0.00 O ATOM 451 CB GLU A 29 -24.201 23.309 -2.506 1.00 0.00 C ATOM 452 CG GLU A 29 -23.316 24.316 -1.791 1.00 0.00 C ATOM 453 CD GLU A 29 -22.909 23.855 -0.405 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.778 22.630 -0.201 1.00 0.00 O ATOM 455 OE2 GLU A 29 -22.720 24.720 0.476 1.00 0.00 O ATOM 0 H GLU A 29 -25.725 21.377 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 29 -25.708 23.617 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -23.809 22.307 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.150 23.491 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -22.421 24.496 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -23.843 25.267 -1.713 1.00 0.00 H new ATOM 462 N ALA A 30 -27.125 23.987 -3.892 1.00 0.00 N ATOM 463 CA ALA A 30 -27.889 24.902 -4.730 1.00 0.00 C ATOM 464 C ALA A 30 -29.273 25.158 -4.144 1.00 0.00 C ATOM 465 O ALA A 30 -29.600 26.284 -3.772 1.00 0.00 O ATOM 466 CB ALA A 30 -28.007 24.349 -6.143 1.00 0.00 C ATOM 0 H ALA A 30 -27.186 23.008 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.357 25.853 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.580 25.042 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.012 24.223 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.514 23.385 -6.115 1.00 0.00 H new ATOM 472 N GLU A 31 -30.082 24.106 -4.065 1.00 0.00 N ATOM 473 CA GLU A 31 -31.431 24.219 -3.524 1.00 0.00 C ATOM 474 C GLU A 31 -31.417 24.916 -2.167 1.00 0.00 C ATOM 475 O GLU A 31 -32.376 25.590 -1.794 1.00 0.00 O ATOM 476 CB GLU A 31 -32.069 22.834 -3.392 1.00 0.00 C ATOM 477 CG GLU A 31 -31.543 22.031 -2.215 1.00 0.00 C ATOM 478 CD GLU A 31 -32.312 22.299 -0.936 1.00 0.00 C ATOM 479 OE1 GLU A 31 -33.526 22.010 -0.901 1.00 0.00 O ATOM 480 OE2 GLU A 31 -31.699 22.798 0.031 1.00 0.00 O ATOM 0 H GLU A 31 -29.827 23.166 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.023 24.820 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.148 22.949 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -31.894 22.274 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.598 20.968 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -30.491 22.269 -2.059 1.00 0.00 H new ATOM 487 N ALA A 32 -30.322 24.748 -1.433 1.00 0.00 N ATOM 488 CA ALA A 32 -30.181 25.361 -0.119 1.00 0.00 C ATOM 489 C ALA A 32 -30.073 26.878 -0.229 1.00 0.00 C ATOM 490 O ALA A 32 -31.009 27.602 0.108 1.00 0.00 O ATOM 491 CB ALA A 32 -28.967 24.794 0.601 1.00 0.00 C ATOM 0 H ALA A 32 -29.519 24.192 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.074 25.128 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -28.874 25.261 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.086 23.717 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.070 24.997 0.016 1.00 0.00 H new ATOM 497 N GLU A 33 -28.925 27.352 -0.704 1.00 0.00 N ATOM 498 CA GLU A 33 -28.695 28.784 -0.857 1.00 0.00 C ATOM 499 C GLU A 33 -29.826 29.434 -1.649 1.00 0.00 C ATOM 500 O GLU A 33 -30.290 30.524 -1.311 1.00 0.00 O ATOM 501 CB GLU A 33 -27.358 29.036 -1.557 1.00 0.00 C ATOM 502 CG GLU A 33 -27.256 28.389 -2.928 1.00 0.00 C ATOM 503 CD GLU A 33 -25.821 28.218 -3.387 1.00 0.00 C ATOM 504 OE1 GLU A 33 -24.907 28.397 -2.555 1.00 0.00 O ATOM 505 OE2 GLU A 33 -25.612 27.905 -4.577 1.00 0.00 O ATOM 0 H GLU A 33 -28.141 26.766 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 33 -28.666 29.230 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.209 30.111 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -26.551 28.661 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.744 27.415 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -27.796 28.997 -3.654 1.00 0.00 H new ATOM 512 N LYS A 34 -30.267 28.759 -2.705 1.00 0.00 N ATOM 513 CA LYS A 34 -31.343 29.268 -3.545 1.00 0.00 C ATOM 514 C LYS A 34 -32.603 29.520 -2.723 1.00 0.00 C ATOM 515 O LYS A 34 -33.070 30.654 -2.617 1.00 0.00 O ATOM 516 CB LYS A 34 -31.648 28.281 -4.674 1.00 0.00 C ATOM 517 CG LYS A 34 -32.909 28.615 -5.451 1.00 0.00 C ATOM 518 CD LYS A 34 -33.242 27.535 -6.467 1.00 0.00 C ATOM 519 CE LYS A 34 -32.688 27.874 -7.842 1.00 0.00 C ATOM 520 NZ LYS A 34 -31.213 27.678 -7.910 1.00 0.00 N ATOM 0 H LYS A 34 -29.894 27.856 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.016 30.214 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.803 28.257 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.745 27.280 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -33.743 28.734 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.780 29.569 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -32.833 26.581 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -34.323 27.413 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -33.172 27.249 -8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -32.928 28.909 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -30.925 27.551 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -30.733 28.512 -7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -30.949 26.834 -7.362 1.00 0.00 H new ATOM 534 N ALA A 35 -33.147 28.456 -2.142 1.00 0.00 N ATOM 535 CA ALA A 35 -34.350 28.563 -1.326 1.00 0.00 C ATOM 536 C ALA A 35 -34.142 29.529 -0.164 1.00 0.00 C ATOM 537 O ALA A 35 -35.102 30.000 0.445 1.00 0.00 O ATOM 538 CB ALA A 35 -34.760 27.193 -0.807 1.00 0.00 C ATOM 0 H ALA A 35 -32.774 27.510 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.150 28.957 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -35.660 27.288 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -34.959 26.530 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -33.955 26.778 -0.201 1.00 0.00 H new ATOM 544 N LYS A 36 -32.881 29.821 0.138 1.00 0.00 N ATOM 545 CA LYS A 36 -32.546 30.731 1.226 1.00 0.00 C ATOM 546 C LYS A 36 -32.632 32.183 0.767 1.00 0.00 C ATOM 547 O LYS A 36 -33.318 32.999 1.383 1.00 0.00 O ATOM 548 CB LYS A 36 -31.139 30.434 1.752 1.00 0.00 C ATOM 549 CG LYS A 36 -30.883 30.980 3.146 1.00 0.00 C ATOM 550 CD LYS A 36 -29.504 30.593 3.652 1.00 0.00 C ATOM 551 CE LYS A 36 -28.420 31.462 3.033 1.00 0.00 C ATOM 552 NZ LYS A 36 -27.119 30.742 2.938 1.00 0.00 N ATOM 0 H LYS A 36 -32.074 29.440 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.267 30.579 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -30.983 29.355 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.406 30.857 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.976 32.066 3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.642 30.602 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -29.473 30.689 4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -29.310 29.546 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -28.733 31.780 2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.293 32.365 3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -26.406 31.368 2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -26.807 30.461 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -27.234 29.894 2.347 1.00 0.00 H new ATOM 566 N ILE A 37 -31.934 32.498 -0.319 1.00 0.00 N ATOM 567 CA ILE A 37 -31.934 33.851 -0.862 1.00 0.00 C ATOM 568 C ILE A 37 -33.269 34.177 -1.522 1.00 0.00 C ATOM 569 O ILE A 37 -33.694 35.333 -1.550 1.00 0.00 O ATOM 570 CB ILE A 37 -30.804 34.045 -1.890 1.00 0.00 C ATOM 571 CG1 ILE A 37 -30.877 32.964 -2.971 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.449 34.021 -1.199 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.692 33.499 -4.373 1.00 0.00 C ATOM 0 H ILE A 37 -31.361 31.834 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.771 34.528 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.929 35.017 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.113 32.212 -2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.842 32.462 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.661 34.159 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.401 34.824 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.313 33.062 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.756 32.678 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.472 34.229 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.715 33.976 -4.455 1.00 0.00 H new ATOM 585 N LEU A 38 -33.928 33.152 -2.051 1.00 0.00 N ATOM 586 CA LEU A 38 -35.217 33.329 -2.710 1.00 0.00 C ATOM 587 C LEU A 38 -36.286 33.757 -1.710 1.00 0.00 C ATOM 588 O LEU A 38 -37.158 34.565 -2.027 1.00 0.00 O ATOM 589 CB LEU A 38 -35.640 32.033 -3.403 1.00 0.00 C ATOM 590 CG LEU A 38 -35.253 31.901 -4.876 1.00 0.00 C ATOM 591 CD1 LEU A 38 -35.957 32.960 -5.710 1.00 0.00 C ATOM 592 CD2 LEU A 38 -33.744 32.005 -5.042 1.00 0.00 C ATOM 0 H LEU A 38 -33.591 32.189 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.110 34.115 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.206 31.195 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.723 31.939 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.571 30.920 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.669 32.850 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.036 32.839 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.671 33.951 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.487 31.909 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.403 32.972 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.260 31.209 -4.476 1.00 0.00 H new ATOM 604 N GLU A 39 -36.210 33.211 -0.500 1.00 0.00 N ATOM 605 CA GLU A 39 -37.171 33.538 0.547 1.00 0.00 C ATOM 606 C GLU A 39 -36.683 34.717 1.384 1.00 0.00 C ATOM 607 O GLU A 39 -37.482 35.479 1.929 1.00 0.00 O ATOM 608 CB GLU A 39 -37.411 32.324 1.446 1.00 0.00 C ATOM 609 CG GLU A 39 -38.343 31.290 0.838 1.00 0.00 C ATOM 610 CD GLU A 39 -39.683 31.225 1.544 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.128 32.265 2.072 1.00 0.00 O ATOM 612 OE2 GLU A 39 -40.288 30.132 1.568 1.00 0.00 O ATOM 0 H GLU A 39 -35.493 32.541 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.110 33.818 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -36.454 31.852 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.827 32.662 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -38.502 31.524 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -37.868 30.310 0.878 1.00 0.00 H new ATOM 619 N LYS A 40 -35.366 34.860 1.482 1.00 0.00 N ATOM 620 CA LYS A 40 -34.769 35.945 2.252 1.00 0.00 C ATOM 621 C LYS A 40 -34.843 37.261 1.484 1.00 0.00 C ATOM 622 O LYS A 40 -35.228 38.292 2.036 1.00 0.00 O ATOM 623 CB LYS A 40 -33.312 35.619 2.587 1.00 0.00 C ATOM 624 CG LYS A 40 -32.641 36.662 3.464 1.00 0.00 C ATOM 625 CD LYS A 40 -31.986 36.029 4.681 1.00 0.00 C ATOM 626 CE LYS A 40 -31.782 37.044 5.795 1.00 0.00 C ATOM 627 NZ LYS A 40 -30.526 37.823 5.613 1.00 0.00 N ATOM 0 H LYS A 40 -34.691 34.238 1.038 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.333 36.053 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.271 34.653 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.748 35.519 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -31.891 37.199 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.379 37.396 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -32.606 35.209 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -31.025 35.601 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -32.631 37.726 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -31.754 36.529 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -30.424 38.504 6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -29.713 37.175 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -30.563 38.335 4.709 1.00 0.00 H new ATOM 641 N ALA A 41 -34.473 37.219 0.208 1.00 0.00 N ATOM 642 CA ALA A 41 -34.501 38.407 -0.635 1.00 0.00 C ATOM 643 C ALA A 41 -35.934 38.836 -0.932 1.00 0.00 C ATOM 644 O ALA A 41 -36.311 39.984 -0.696 1.00 0.00 O ATOM 645 CB ALA A 41 -33.745 38.152 -1.931 1.00 0.00 C ATOM 0 H ALA A 41 -34.150 36.374 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 41 -34.012 39.217 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.774 39.048 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.709 37.901 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.210 37.325 -2.467 1.00 0.00 H new ATOM 651 N LYS A 42 -36.729 37.907 -1.452 1.00 0.00 N ATOM 652 CA LYS A 42 -38.121 38.188 -1.781 1.00 0.00 C ATOM 653 C LYS A 42 -38.865 38.744 -0.571 1.00 0.00 C ATOM 654 O LYS A 42 -39.823 39.502 -0.715 1.00 0.00 O ATOM 655 CB LYS A 42 -38.815 36.918 -2.280 1.00 0.00 C ATOM 656 CG LYS A 42 -40.195 37.168 -2.863 1.00 0.00 C ATOM 657 CD LYS A 42 -40.566 36.112 -3.890 1.00 0.00 C ATOM 658 CE LYS A 42 -39.839 36.336 -5.208 1.00 0.00 C ATOM 659 NZ LYS A 42 -40.771 36.296 -6.369 1.00 0.00 N ATOM 0 H LYS A 42 -36.433 36.952 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 42 -38.137 38.938 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.190 36.446 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.901 36.213 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.934 37.173 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -40.222 38.154 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -40.321 35.123 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -41.643 36.130 -4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -39.331 37.300 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -39.070 35.573 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -40.238 36.453 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -41.237 35.367 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -41.490 37.040 -6.263 1.00 0.00 H new ATOM 673 N GLU A 43 -38.415 38.364 0.621 1.00 0.00 N ATOM 674 CA GLU A 43 -39.039 38.826 1.855 1.00 0.00 C ATOM 675 C GLU A 43 -38.449 40.163 2.295 1.00 0.00 C ATOM 676 O GLU A 43 -39.152 41.171 2.361 1.00 0.00 O ATOM 677 CB GLU A 43 -38.858 37.787 2.964 1.00 0.00 C ATOM 678 CG GLU A 43 -39.400 38.235 4.311 1.00 0.00 C ATOM 679 CD GLU A 43 -40.184 37.145 5.016 1.00 0.00 C ATOM 680 OE1 GLU A 43 -41.077 36.549 4.378 1.00 0.00 O ATOM 681 OE2 GLU A 43 -39.904 36.888 6.206 1.00 0.00 O ATOM 0 H GLU A 43 -37.621 37.738 0.758 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.104 38.963 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.357 36.863 2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.797 37.558 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.571 38.550 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.041 39.105 4.169 1.00 0.00 H new ATOM 688 N GLU A 44 -37.154 40.163 2.594 1.00 0.00 N ATOM 689 CA GLU A 44 -36.470 41.375 3.028 1.00 0.00 C ATOM 690 C GLU A 44 -36.739 42.527 2.064 1.00 0.00 C ATOM 691 O GLU A 44 -36.847 43.682 2.474 1.00 0.00 O ATOM 692 CB GLU A 44 -34.964 41.127 3.137 1.00 0.00 C ATOM 693 CG GLU A 44 -34.267 41.016 1.792 1.00 0.00 C ATOM 694 CD GLU A 44 -32.944 40.280 1.879 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.723 39.574 2.885 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.130 40.411 0.941 1.00 0.00 O ATOM 0 H GLU A 44 -36.558 39.337 2.544 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.857 41.648 4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.511 41.939 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.795 40.210 3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.921 40.499 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.097 42.015 1.392 1.00 0.00 H new ATOM 703 N ALA A 45 -36.844 42.202 0.779 1.00 0.00 N ATOM 704 CA ALA A 45 -37.101 43.208 -0.244 1.00 0.00 C ATOM 705 C ALA A 45 -38.473 43.846 -0.055 1.00 0.00 C ATOM 706 O ALA A 45 -38.579 45.035 0.244 1.00 0.00 O ATOM 707 CB ALA A 45 -36.991 42.591 -1.630 1.00 0.00 C ATOM 0 H ALA A 45 -36.755 41.251 0.422 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.349 43.991 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -37.185 43.354 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.988 42.189 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -37.721 41.788 -1.730 1.00 0.00 H new ATOM 713 N GLU A 46 -39.521 43.047 -0.232 1.00 0.00 N ATOM 714 CA GLU A 46 -40.887 43.536 -0.082 1.00 0.00 C ATOM 715 C GLU A 46 -41.089 44.173 1.290 1.00 0.00 C ATOM 716 O GLU A 46 -41.810 45.161 1.429 1.00 0.00 O ATOM 717 CB GLU A 46 -41.886 42.394 -0.278 1.00 0.00 C ATOM 718 CG GLU A 46 -41.813 41.329 0.803 1.00 0.00 C ATOM 719 CD GLU A 46 -42.817 40.212 0.591 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.361 40.110 -0.529 1.00 0.00 O ATOM 721 OE2 GLU A 46 -43.058 39.442 1.543 1.00 0.00 O ATOM 0 H GLU A 46 -39.450 42.060 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 46 -41.060 44.295 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -42.895 42.806 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.707 41.929 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -40.807 40.909 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -41.988 41.790 1.775 1.00 0.00 H new ATOM 728 N LYS A 47 -40.449 43.598 2.302 1.00 0.00 N ATOM 729 CA LYS A 47 -40.556 44.108 3.664 1.00 0.00 C ATOM 730 C LYS A 47 -39.895 45.477 3.787 1.00 0.00 C ATOM 731 O LYS A 47 -40.506 46.431 4.268 1.00 0.00 O ATOM 732 CB LYS A 47 -39.912 43.129 4.649 1.00 0.00 C ATOM 733 CG LYS A 47 -40.527 43.170 6.037 1.00 0.00 C ATOM 734 CD LYS A 47 -41.988 42.752 6.013 1.00 0.00 C ATOM 735 CE LYS A 47 -42.914 43.953 6.128 1.00 0.00 C ATOM 736 NZ LYS A 47 -43.149 44.337 7.547 1.00 0.00 N ATOM 0 H LYS A 47 -39.850 42.778 2.205 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.614 44.213 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -39.999 42.118 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -38.848 43.351 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -39.970 42.510 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.443 44.178 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -42.199 42.216 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -42.183 42.061 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -42.483 44.797 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -43.867 43.724 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -43.785 45.159 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.584 43.540 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -42.243 44.580 7.996 1.00 0.00 H new