USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 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+ -155:sc= -0.0712 (180deg=-0.419) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0292 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= -0.312 K(o=-0.31,f=-1.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 95:sc= 0.0102 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+ 158:sc= -0.0521 (180deg=-0.398) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ASP A 9 -12.530 -2.630 -5.182 1.00 0.00 N ATOM 126 CA ASP A 9 -13.655 -2.076 -4.438 1.00 0.00 C ATOM 127 C ASP A 9 -13.387 -0.626 -4.046 1.00 0.00 C ATOM 128 O ASP A 9 -14.314 0.170 -3.897 1.00 0.00 O ATOM 129 CB ASP A 9 -13.928 -2.913 -3.187 1.00 0.00 C ATOM 130 CG ASP A 9 -14.865 -4.074 -3.460 1.00 0.00 C ATOM 131 OD1 ASP A 9 -14.500 -4.953 -4.270 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.961 -4.104 -2.864 1.00 0.00 O ATOM 0 HA ASP A 9 -14.533 -2.103 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.985 -3.295 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.359 -2.276 -2.414 1.00 0.00 H new ATOM 137 N LYS A 10 -12.113 -0.290 -3.880 1.00 0.00 N ATOM 138 CA LYS A 10 -11.721 1.064 -3.505 1.00 0.00 C ATOM 139 C LYS A 10 -11.800 2.004 -4.703 1.00 0.00 C ATOM 140 O LYS A 10 -12.412 3.070 -4.628 1.00 0.00 O ATOM 141 CB LYS A 10 -10.300 1.066 -2.935 1.00 0.00 C ATOM 142 CG LYS A 10 -10.244 0.797 -1.441 1.00 0.00 C ATOM 143 CD LYS A 10 -10.781 1.973 -0.642 1.00 0.00 C ATOM 144 CE LYS A 10 -10.798 1.672 0.849 1.00 0.00 C ATOM 145 NZ LYS A 10 -11.013 2.903 1.660 1.00 0.00 N ATOM 0 H LYS A 10 -11.333 -0.937 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.413 1.418 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.708 0.312 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.837 2.031 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.824 -0.096 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.215 0.595 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.166 2.853 -0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.790 2.212 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.587 0.952 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.855 1.207 1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.018 2.657 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.246 3.580 1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.925 3.333 1.404 1.00 0.00 H new ATOM 159 N ILE A 11 -11.180 1.602 -5.808 1.00 0.00 N ATOM 160 CA ILE A 11 -11.184 2.408 -7.022 1.00 0.00 C ATOM 161 C ILE A 11 -12.588 2.512 -7.609 1.00 0.00 C ATOM 162 O ILE A 11 -12.987 3.562 -8.112 1.00 0.00 O ATOM 163 CB ILE A 11 -10.237 1.826 -8.087 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.604 0.372 -8.389 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.791 1.927 -7.623 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.606 0.222 -9.513 1.00 0.00 C ATOM 0 H ILE A 11 -10.669 0.723 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.836 3.402 -6.741 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.346 2.406 -9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.698 -0.177 -8.645 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.010 -0.086 -7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.134 1.511 -8.387 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.535 2.973 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.667 1.369 -6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.819 -0.835 -9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.527 0.743 -9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.194 0.650 -10.427 1.00 0.00 H new ATOM 178 N LYS A 12 -13.335 1.415 -7.539 1.00 0.00 N ATOM 179 CA LYS A 12 -14.696 1.381 -8.060 1.00 0.00 C ATOM 180 C LYS A 12 -15.633 2.211 -7.188 1.00 0.00 C ATOM 181 O LYS A 12 -16.644 2.727 -7.663 1.00 0.00 O ATOM 182 CB LYS A 12 -15.199 -0.062 -8.137 1.00 0.00 C ATOM 183 CG LYS A 12 -16.681 -0.174 -8.452 1.00 0.00 C ATOM 184 CD LYS A 12 -17.511 -0.317 -7.187 1.00 0.00 C ATOM 185 CE LYS A 12 -17.793 -1.778 -6.869 1.00 0.00 C ATOM 186 NZ LYS A 12 -18.677 -2.407 -7.888 1.00 0.00 N ATOM 0 H LYS A 12 -13.020 0.537 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.685 1.809 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.633 -0.595 -8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.999 -0.559 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.005 0.709 -9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.852 -1.034 -9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.985 0.144 -6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.453 0.219 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.852 -2.326 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.261 -1.852 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.182 -3.210 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.366 -1.707 -8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.102 -2.744 -8.686 1.00 0.00 H new ATOM 200 N SER A 13 -15.289 2.336 -5.910 1.00 0.00 N ATOM 201 CA SER A 13 -16.101 3.102 -4.971 1.00 0.00 C ATOM 202 C SER A 13 -15.651 4.559 -4.927 1.00 0.00 C ATOM 203 O SER A 13 -16.430 5.452 -4.592 1.00 0.00 O ATOM 204 CB SER A 13 -16.016 2.487 -3.572 1.00 0.00 C ATOM 205 OG SER A 13 -16.686 3.295 -2.619 1.00 0.00 O ATOM 0 H SER A 13 -14.454 1.917 -5.501 1.00 0.00 H new ATOM 0 HA SER A 13 -17.136 3.070 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.456 1.490 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.971 2.371 -3.285 1.00 0.00 H new ATOM 0 HG SER A 13 -16.619 2.880 -1.734 1.00 0.00 H new ATOM 211 N LYS A 14 -14.388 4.792 -5.266 1.00 0.00 N ATOM 212 CA LYS A 14 -13.832 6.140 -5.267 1.00 0.00 C ATOM 213 C LYS A 14 -14.568 7.031 -6.263 1.00 0.00 C ATOM 214 O LYS A 14 -15.269 7.966 -5.873 1.00 0.00 O ATOM 215 CB LYS A 14 -12.341 6.099 -5.609 1.00 0.00 C ATOM 216 CG LYS A 14 -11.537 7.212 -4.960 1.00 0.00 C ATOM 217 CD LYS A 14 -12.134 8.577 -5.257 1.00 0.00 C ATOM 218 CE LYS A 14 -12.127 8.876 -6.748 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.226 10.013 -7.082 1.00 0.00 N ATOM 0 H LYS A 14 -13.729 4.064 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.958 6.559 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.932 5.138 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.223 6.160 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.502 7.056 -3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.509 7.177 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.156 8.618 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.570 9.345 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.809 7.988 -7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.140 9.107 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.250 10.185 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.544 10.867 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.254 9.783 -6.792 1.00 0.00 H new ATOM 233 N ILE A 15 -14.405 6.736 -7.548 1.00 0.00 N ATOM 234 CA ILE A 15 -15.056 7.509 -8.598 1.00 0.00 C ATOM 235 C ILE A 15 -16.571 7.499 -8.429 1.00 0.00 C ATOM 236 O ILE A 15 -17.236 8.517 -8.625 1.00 0.00 O ATOM 237 CB ILE A 15 -14.702 6.969 -9.996 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.190 6.776 -10.126 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.216 7.912 -11.074 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.780 5.335 -10.332 1.00 0.00 C ATOM 0 H ILE A 15 -13.827 5.967 -7.887 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.690 8.532 -8.510 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.185 6.001 -10.127 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.827 7.372 -10.963 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.705 7.159 -9.228 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.958 7.517 -12.056 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.299 8.002 -10.992 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.759 8.894 -10.947 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.695 5.274 -10.416 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.113 4.737 -9.483 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.236 4.954 -11.245 1.00 0.00 H new ATOM 252 N LEU A 16 -17.112 6.342 -8.063 1.00 0.00 N ATOM 253 CA LEU A 16 -18.550 6.198 -7.865 1.00 0.00 C ATOM 254 C LEU A 16 -19.041 7.118 -6.752 1.00 0.00 C ATOM 255 O LEU A 16 -19.899 7.974 -6.973 1.00 0.00 O ATOM 256 CB LEU A 16 -18.897 4.746 -7.532 1.00 0.00 C ATOM 257 CG LEU A 16 -19.138 3.823 -8.727 1.00 0.00 C ATOM 258 CD1 LEU A 16 -19.451 2.411 -8.256 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.266 4.359 -9.597 1.00 0.00 C ATOM 0 H LEU A 16 -16.576 5.490 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.049 6.480 -8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.088 4.328 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.791 4.741 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.228 3.791 -9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -19.620 1.768 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -18.612 2.027 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.346 2.425 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.423 3.689 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -21.181 4.421 -9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.002 5.351 -9.964 1.00 0.00 H new ATOM 271 N ASP A 17 -18.491 6.938 -5.557 1.00 0.00 N ATOM 272 CA ASP A 17 -18.870 7.754 -4.409 1.00 0.00 C ATOM 273 C ASP A 17 -18.532 9.221 -4.650 1.00 0.00 C ATOM 274 O ASP A 17 -19.279 10.115 -4.250 1.00 0.00 O ATOM 275 CB ASP A 17 -18.165 7.255 -3.147 1.00 0.00 C ATOM 276 CG ASP A 17 -18.604 5.860 -2.750 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.363 5.236 -3.521 1.00 0.00 O ATOM 278 OD2 ASP A 17 -18.189 5.391 -1.669 1.00 0.00 O ATOM 0 H ASP A 17 -17.781 6.234 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.948 7.667 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.087 7.260 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.366 7.943 -2.326 1.00 0.00 H new ATOM 283 N ASP A 18 -17.402 9.463 -5.305 1.00 0.00 N ATOM 284 CA ASP A 18 -16.964 10.822 -5.600 1.00 0.00 C ATOM 285 C ASP A 18 -17.943 11.517 -6.541 1.00 0.00 C ATOM 286 O ASP A 18 -18.484 12.575 -6.220 1.00 0.00 O ATOM 287 CB ASP A 18 -15.566 10.808 -6.219 1.00 0.00 C ATOM 288 CG ASP A 18 -15.181 12.149 -6.813 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.088 13.132 -6.048 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.974 12.215 -8.042 1.00 0.00 O ATOM 0 H ASP A 18 -16.772 8.735 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.932 11.378 -4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.838 10.529 -5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.524 10.044 -6.996 1.00 0.00 H new ATOM 295 N ALA A 19 -18.166 10.914 -7.704 1.00 0.00 N ATOM 296 CA ALA A 19 -19.081 11.474 -8.692 1.00 0.00 C ATOM 297 C ALA A 19 -20.469 11.684 -8.097 1.00 0.00 C ATOM 298 O ALA A 19 -21.039 12.771 -8.194 1.00 0.00 O ATOM 299 CB ALA A 19 -19.158 10.568 -9.912 1.00 0.00 C ATOM 0 H ALA A 19 -17.726 10.038 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.696 12.446 -8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.844 10.998 -10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.168 10.473 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.517 9.584 -9.612 1.00 0.00 H new ATOM 305 N LYS A 20 -21.009 10.637 -7.482 1.00 0.00 N ATOM 306 CA LYS A 20 -22.331 10.706 -6.871 1.00 0.00 C ATOM 307 C LYS A 20 -22.379 11.792 -5.801 1.00 0.00 C ATOM 308 O LYS A 20 -23.377 12.499 -5.665 1.00 0.00 O ATOM 309 CB LYS A 20 -22.703 9.354 -6.258 1.00 0.00 C ATOM 310 CG LYS A 20 -23.519 8.470 -7.186 1.00 0.00 C ATOM 311 CD LYS A 20 -22.709 7.283 -7.680 1.00 0.00 C ATOM 312 CE LYS A 20 -21.971 7.610 -8.969 1.00 0.00 C ATOM 313 NZ LYS A 20 -22.616 6.978 -10.153 1.00 0.00 N ATOM 0 H LYS A 20 -20.551 9.730 -7.394 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.052 10.955 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.790 8.828 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.268 9.523 -5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -24.407 8.114 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -23.864 9.056 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.992 6.986 -6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -23.371 6.432 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.941 8.691 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.938 7.269 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.083 7.225 -11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.622 5.945 -10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -23.593 7.322 -10.241 1.00 0.00 H new ATOM 327 N ALA A 21 -21.295 11.919 -5.043 1.00 0.00 N ATOM 328 CA ALA A 21 -21.213 12.921 -3.988 1.00 0.00 C ATOM 329 C ALA A 21 -21.250 14.332 -4.566 1.00 0.00 C ATOM 330 O ALA A 21 -21.888 15.223 -4.008 1.00 0.00 O ATOM 331 CB ALA A 21 -19.949 12.719 -3.165 1.00 0.00 C ATOM 0 H ALA A 21 -20.461 11.340 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.080 12.800 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.901 13.474 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.964 11.727 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.076 12.810 -3.811 1.00 0.00 H new ATOM 337 N GLU A 22 -20.562 14.525 -5.687 1.00 0.00 N ATOM 338 CA GLU A 22 -20.516 15.829 -6.339 1.00 0.00 C ATOM 339 C GLU A 22 -21.915 16.281 -6.750 1.00 0.00 C ATOM 340 O GLU A 22 -22.272 17.449 -6.595 1.00 0.00 O ATOM 341 CB GLU A 22 -19.603 15.779 -7.565 1.00 0.00 C ATOM 342 CG GLU A 22 -18.683 16.982 -7.689 1.00 0.00 C ATOM 343 CD GLU A 22 -17.691 16.843 -8.827 1.00 0.00 C ATOM 344 OE1 GLU A 22 -17.493 15.707 -9.307 1.00 0.00 O ATOM 345 OE2 GLU A 22 -17.113 17.871 -9.238 1.00 0.00 O ATOM 0 H GLU A 22 -20.030 13.796 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.115 16.550 -5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.998 14.873 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.218 15.708 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.283 17.879 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.140 17.118 -6.753 1.00 0.00 H new ATOM 352 N ALA A 23 -22.701 15.347 -7.275 1.00 0.00 N ATOM 353 CA ALA A 23 -24.061 15.648 -7.707 1.00 0.00 C ATOM 354 C ALA A 23 -25.020 15.675 -6.522 1.00 0.00 C ATOM 355 O ALA A 23 -26.094 16.272 -6.594 1.00 0.00 O ATOM 356 CB ALA A 23 -24.523 14.632 -8.740 1.00 0.00 C ATOM 0 H ALA A 23 -22.420 14.376 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.061 16.638 -8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.540 14.869 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.860 14.665 -9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.501 13.634 -8.303 1.00 0.00 H new ATOM 362 N ASN A 24 -24.626 15.025 -5.432 1.00 0.00 N ATOM 363 CA ASN A 24 -25.452 14.974 -4.231 1.00 0.00 C ATOM 364 C ASN A 24 -25.243 16.218 -3.374 1.00 0.00 C ATOM 365 O ASN A 24 -26.128 16.621 -2.618 1.00 0.00 O ATOM 366 CB ASN A 24 -25.129 13.719 -3.418 1.00 0.00 C ATOM 367 CG ASN A 24 -25.798 12.478 -3.977 1.00 0.00 C ATOM 368 OD1 ASN A 24 -26.832 12.563 -4.640 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.209 11.318 -3.712 1.00 0.00 N ATOM 0 H ASN A 24 -23.740 14.526 -5.355 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.497 14.939 -4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.049 13.569 -3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.448 13.866 -2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.613 10.449 -4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.353 11.296 -3.158 1.00 0.00 H new ATOM 376 N LYS A 25 -24.066 16.823 -3.496 1.00 0.00 N ATOM 377 CA LYS A 25 -23.740 18.022 -2.734 1.00 0.00 C ATOM 378 C LYS A 25 -24.135 19.279 -3.502 1.00 0.00 C ATOM 379 O LYS A 25 -24.298 20.350 -2.917 1.00 0.00 O ATOM 380 CB LYS A 25 -22.243 18.057 -2.414 1.00 0.00 C ATOM 381 CG LYS A 25 -21.940 18.303 -0.947 1.00 0.00 C ATOM 382 CD LYS A 25 -22.404 17.144 -0.080 1.00 0.00 C ATOM 383 CE LYS A 25 -21.332 16.730 0.917 1.00 0.00 C ATOM 384 NZ LYS A 25 -20.569 15.541 0.447 1.00 0.00 N ATOM 0 H LYS A 25 -23.322 16.502 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.304 17.994 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.793 17.111 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.771 18.838 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.868 18.451 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.430 19.221 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.310 17.428 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.661 16.295 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.646 17.561 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.796 16.508 1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.848 15.290 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.220 14.740 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.105 15.761 -0.458 1.00 0.00 H new ATOM 398 N ILE A 26 -24.290 19.141 -4.815 1.00 0.00 N ATOM 399 CA ILE A 26 -24.669 20.265 -5.662 1.00 0.00 C ATOM 400 C ILE A 26 -26.183 20.438 -5.701 1.00 0.00 C ATOM 401 O ILE A 26 -26.687 21.540 -5.920 1.00 0.00 O ATOM 402 CB ILE A 26 -24.146 20.088 -7.099 1.00 0.00 C ATOM 403 CG1 ILE A 26 -24.083 21.441 -7.812 1.00 0.00 C ATOM 404 CG2 ILE A 26 -25.030 19.118 -7.869 1.00 0.00 C ATOM 405 CD1 ILE A 26 -23.065 22.390 -7.220 1.00 0.00 C ATOM 0 H ILE A 26 -24.159 18.262 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.216 21.155 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.139 19.674 -7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.847 21.278 -8.863 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -25.067 21.908 -7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.647 19.003 -8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -25.029 18.149 -7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -26.048 19.505 -7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -23.076 23.328 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -23.312 22.584 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -22.073 21.943 -7.281 1.00 0.00 H new ATOM 417 N ILE A 27 -26.904 19.342 -5.486 1.00 0.00 N ATOM 418 CA ILE A 27 -28.361 19.373 -5.494 1.00 0.00 C ATOM 419 C ILE A 27 -28.906 19.919 -4.179 1.00 0.00 C ATOM 420 O ILE A 27 -29.956 20.561 -4.149 1.00 0.00 O ATOM 421 CB ILE A 27 -28.952 17.972 -5.739 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.397 16.974 -4.721 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.652 17.512 -7.158 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.448 16.417 -3.787 1.00 0.00 C ATOM 0 H ILE A 27 -26.503 18.422 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.658 20.032 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 27 -30.034 18.024 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.922 16.150 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.621 17.462 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -29.076 16.520 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -29.092 18.212 -7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.573 17.473 -7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.984 15.717 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.906 17.232 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.213 15.900 -4.367 1.00 0.00 H new ATOM 436 N SER A 28 -28.185 19.661 -3.092 1.00 0.00 N ATOM 437 CA SER A 28 -28.597 20.125 -1.773 1.00 0.00 C ATOM 438 C SER A 28 -28.122 21.554 -1.527 1.00 0.00 C ATOM 439 O SER A 28 -28.907 22.424 -1.149 1.00 0.00 O ATOM 440 CB SER A 28 -28.047 19.198 -0.688 1.00 0.00 C ATOM 441 OG SER A 28 -28.578 17.891 -0.816 1.00 0.00 O ATOM 0 H SER A 28 -27.312 19.133 -3.099 1.00 0.00 H new ATOM 0 HA SER A 28 -29.686 20.111 -1.734 1.00 0.00 H new ATOM 0 HB2 SER A 28 -26.960 19.160 -0.755 1.00 0.00 H new ATOM 0 HB3 SER A 28 -28.292 19.599 0.296 1.00 0.00 H new ATOM 0 HG SER A 28 -27.958 17.335 -1.332 1.00 0.00 H new ATOM 447 N GLU A 29 -26.831 21.787 -1.744 1.00 0.00 N ATOM 448 CA GLU A 29 -26.251 23.110 -1.545 1.00 0.00 C ATOM 449 C GLU A 29 -26.938 24.145 -2.431 1.00 0.00 C ATOM 450 O GLU A 29 -26.897 25.343 -2.152 1.00 0.00 O ATOM 451 CB GLU A 29 -24.750 23.083 -1.843 1.00 0.00 C ATOM 452 CG GLU A 29 -23.939 22.313 -0.815 1.00 0.00 C ATOM 453 CD GLU A 29 -23.164 23.224 0.118 1.00 0.00 C ATOM 454 OE1 GLU A 29 -23.795 23.846 0.998 1.00 0.00 O ATOM 455 OE2 GLU A 29 -21.928 23.315 -0.033 1.00 0.00 O ATOM 0 H GLU A 29 -26.168 21.078 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.403 23.392 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.591 22.639 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.380 24.107 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.607 21.682 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -23.244 21.649 -1.329 1.00 0.00 H new ATOM 462 N ALA A 30 -27.569 23.673 -3.501 1.00 0.00 N ATOM 463 CA ALA A 30 -28.267 24.556 -4.428 1.00 0.00 C ATOM 464 C ALA A 30 -29.678 24.862 -3.938 1.00 0.00 C ATOM 465 O ALA A 30 -29.983 25.993 -3.564 1.00 0.00 O ATOM 466 CB ALA A 30 -28.311 23.935 -5.816 1.00 0.00 C ATOM 0 H ALA A 30 -27.611 22.684 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.717 25.496 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.835 24.605 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.294 23.774 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.835 22.980 -5.771 1.00 0.00 H new ATOM 472 N GLU A 31 -30.535 23.845 -3.944 1.00 0.00 N ATOM 473 CA GLU A 31 -31.915 24.008 -3.501 1.00 0.00 C ATOM 474 C GLU A 31 -31.972 24.680 -2.133 1.00 0.00 C ATOM 475 O GLU A 31 -32.920 25.400 -1.822 1.00 0.00 O ATOM 476 CB GLU A 31 -32.619 22.650 -3.444 1.00 0.00 C ATOM 477 CG GLU A 31 -32.200 21.797 -2.259 1.00 0.00 C ATOM 478 CD GLU A 31 -32.749 20.386 -2.333 1.00 0.00 C ATOM 479 OE1 GLU A 31 -33.232 19.992 -3.415 1.00 0.00 O ATOM 480 OE2 GLU A 31 -32.696 19.674 -1.308 1.00 0.00 O ATOM 0 H GLU A 31 -30.298 22.901 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.428 24.646 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.696 22.810 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -32.413 22.104 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.112 21.757 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -32.542 22.268 -1.338 1.00 0.00 H new ATOM 487 N ALA A 32 -30.949 24.440 -1.319 1.00 0.00 N ATOM 488 CA ALA A 32 -30.881 25.022 0.015 1.00 0.00 C ATOM 489 C ALA A 32 -30.657 26.529 -0.055 1.00 0.00 C ATOM 490 O ALA A 32 -31.554 27.313 0.252 1.00 0.00 O ATOM 491 CB ALA A 32 -29.776 24.360 0.825 1.00 0.00 C ATOM 0 H ALA A 32 -30.156 23.846 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.835 24.845 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.737 24.805 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.979 23.293 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.819 24.507 0.324 1.00 0.00 H new ATOM 497 N GLU A 33 -29.455 26.926 -0.459 1.00 0.00 N ATOM 498 CA GLU A 33 -29.114 28.340 -0.567 1.00 0.00 C ATOM 499 C GLU A 33 -30.139 29.083 -1.419 1.00 0.00 C ATOM 500 O GLU A 33 -30.559 30.190 -1.081 1.00 0.00 O ATOM 501 CB GLU A 33 -27.718 28.507 -1.170 1.00 0.00 C ATOM 502 CG GLU A 33 -26.597 28.401 -0.149 1.00 0.00 C ATOM 503 CD GLU A 33 -25.229 28.639 -0.758 1.00 0.00 C ATOM 504 OE1 GLU A 33 -24.831 29.816 -0.882 1.00 0.00 O ATOM 505 OE2 GLU A 33 -24.556 27.647 -1.109 1.00 0.00 O ATOM 0 H GLU A 33 -28.701 26.289 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.122 28.766 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.571 27.749 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.658 29.477 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.767 29.125 0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.620 27.412 0.309 1.00 0.00 H new ATOM 512 N LYS A 34 -30.539 28.466 -2.526 1.00 0.00 N ATOM 513 CA LYS A 34 -31.515 29.067 -3.427 1.00 0.00 C ATOM 514 C LYS A 34 -32.809 29.394 -2.688 1.00 0.00 C ATOM 515 O LYS A 34 -33.202 30.556 -2.590 1.00 0.00 O ATOM 516 CB LYS A 34 -31.808 28.124 -4.596 1.00 0.00 C ATOM 517 CG LYS A 34 -32.993 28.555 -5.443 1.00 0.00 C ATOM 518 CD LYS A 34 -33.330 27.517 -6.501 1.00 0.00 C ATOM 519 CE LYS A 34 -34.659 26.838 -6.211 1.00 0.00 C ATOM 520 NZ LYS A 34 -34.979 25.792 -7.221 1.00 0.00 N ATOM 0 H LYS A 34 -30.202 27.550 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.093 29.995 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.924 28.059 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.995 27.123 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -33.860 28.717 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.770 29.507 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -33.370 27.994 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -32.539 26.768 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -34.628 26.388 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -35.453 27.585 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -35.892 25.353 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -35.034 26.226 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -34.234 25.066 -7.217 1.00 0.00 H new ATOM 534 N ALA A 35 -33.465 28.363 -2.168 1.00 0.00 N ATOM 535 CA ALA A 35 -34.712 28.542 -1.434 1.00 0.00 C ATOM 536 C ALA A 35 -34.517 29.466 -0.237 1.00 0.00 C ATOM 537 O ALA A 35 -35.481 29.993 0.318 1.00 0.00 O ATOM 538 CB ALA A 35 -35.256 27.195 -0.981 1.00 0.00 C ATOM 0 H ALA A 35 -33.154 27.394 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.435 29.007 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.187 27.344 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.443 26.567 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.528 26.708 -0.332 1.00 0.00 H new ATOM 544 N LYS A 36 -33.263 29.658 0.158 1.00 0.00 N ATOM 545 CA LYS A 36 -32.940 30.519 1.289 1.00 0.00 C ATOM 546 C LYS A 36 -32.893 31.983 0.863 1.00 0.00 C ATOM 547 O LYS A 36 -33.545 32.835 1.467 1.00 0.00 O ATOM 548 CB LYS A 36 -31.597 30.111 1.900 1.00 0.00 C ATOM 549 CG LYS A 36 -31.730 29.197 3.106 1.00 0.00 C ATOM 550 CD LYS A 36 -30.564 29.369 4.066 1.00 0.00 C ATOM 551 CE LYS A 36 -30.599 30.727 4.749 1.00 0.00 C ATOM 552 NZ LYS A 36 -29.257 31.373 4.769 1.00 0.00 N ATOM 0 H LYS A 36 -32.453 29.228 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.723 30.402 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -30.998 29.610 1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.053 31.009 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -32.664 29.411 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.780 28.160 2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.592 28.581 4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -29.625 29.258 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -31.306 31.375 4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -30.961 30.611 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -29.323 32.296 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -28.587 30.767 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -28.922 31.508 3.794 1.00 0.00 H new ATOM 566 N ILE A 37 -32.120 32.266 -0.180 1.00 0.00 N ATOM 567 CA ILE A 37 -31.992 33.626 -0.687 1.00 0.00 C ATOM 568 C ILE A 37 -33.250 34.056 -1.434 1.00 0.00 C ATOM 569 O ILE A 37 -33.586 35.240 -1.477 1.00 0.00 O ATOM 570 CB ILE A 37 -30.778 33.765 -1.626 1.00 0.00 C ATOM 571 CG1 ILE A 37 -30.843 32.714 -2.737 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.483 33.633 -0.839 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.478 33.255 -4.101 1.00 0.00 C ATOM 0 H ILE A 37 -31.573 31.572 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.848 34.273 0.179 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.802 34.753 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.171 31.893 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.851 32.300 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.634 33.733 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.437 34.415 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.449 32.656 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.546 32.456 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.165 34.057 -4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.459 33.643 -4.078 1.00 0.00 H new ATOM 585 N LEU A 38 -33.943 33.086 -2.021 1.00 0.00 N ATOM 586 CA LEU A 38 -35.166 33.362 -2.766 1.00 0.00 C ATOM 587 C LEU A 38 -36.269 33.859 -1.836 1.00 0.00 C ATOM 588 O LEU A 38 -37.054 34.733 -2.201 1.00 0.00 O ATOM 589 CB LEU A 38 -35.633 32.106 -3.503 1.00 0.00 C ATOM 590 CG LEU A 38 -35.163 31.965 -4.952 1.00 0.00 C ATOM 591 CD1 LEU A 38 -35.751 33.072 -5.813 1.00 0.00 C ATOM 592 CD2 LEU A 38 -33.643 31.981 -5.024 1.00 0.00 C ATOM 0 H LEU A 38 -33.678 32.101 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 38 -34.950 34.143 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.293 31.234 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.723 32.086 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.514 31.008 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.406 32.956 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -36.839 33.014 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.430 34.041 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.327 31.880 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.270 32.922 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.242 31.152 -4.440 1.00 0.00 H new ATOM 604 N GLU A 39 -36.320 33.296 -0.633 1.00 0.00 N ATOM 605 CA GLU A 39 -37.326 33.683 0.349 1.00 0.00 C ATOM 606 C GLU A 39 -36.817 34.820 1.231 1.00 0.00 C ATOM 607 O GLU A 39 -37.594 35.644 1.712 1.00 0.00 O ATOM 608 CB GLU A 39 -37.712 32.483 1.217 1.00 0.00 C ATOM 609 CG GLU A 39 -36.706 32.176 2.313 1.00 0.00 C ATOM 610 CD GLU A 39 -37.021 32.894 3.612 1.00 0.00 C ATOM 611 OE1 GLU A 39 -37.904 32.417 4.354 1.00 0.00 O ATOM 612 OE2 GLU A 39 -36.383 33.932 3.885 1.00 0.00 O ATOM 0 H GLU A 39 -35.677 32.571 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.207 34.031 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -38.685 32.672 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.822 31.605 0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -36.686 31.101 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -35.709 32.462 1.977 1.00 0.00 H new ATOM 619 N LYS A 40 -35.505 34.856 1.439 1.00 0.00 N ATOM 620 CA LYS A 40 -34.889 35.891 2.262 1.00 0.00 C ATOM 621 C LYS A 40 -34.819 37.215 1.508 1.00 0.00 C ATOM 622 O LYS A 40 -35.172 38.265 2.045 1.00 0.00 O ATOM 623 CB LYS A 40 -33.485 35.461 2.691 1.00 0.00 C ATOM 624 CG LYS A 40 -33.477 34.469 3.841 1.00 0.00 C ATOM 625 CD LYS A 40 -33.978 35.103 5.128 1.00 0.00 C ATOM 626 CE LYS A 40 -33.902 34.130 6.295 1.00 0.00 C ATOM 627 NZ LYS A 40 -34.877 34.473 7.367 1.00 0.00 N ATOM 0 H LYS A 40 -34.848 34.181 1.049 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.506 36.031 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -32.973 35.018 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.916 36.345 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -34.103 33.613 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -32.465 34.092 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -33.385 35.990 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -35.008 35.434 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -34.096 33.119 5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -32.893 34.135 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -34.794 33.787 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -34.677 35.428 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -35.842 34.444 6.981 1.00 0.00 H new ATOM 641 N ALA A 41 -34.362 37.158 0.262 1.00 0.00 N ATOM 642 CA ALA A 41 -34.249 38.352 -0.566 1.00 0.00 C ATOM 643 C ALA A 41 -35.625 38.888 -0.948 1.00 0.00 C ATOM 644 O ALA A 41 -35.919 40.067 -0.753 1.00 0.00 O ATOM 645 CB ALA A 41 -33.432 38.054 -1.814 1.00 0.00 C ATOM 0 H ALA A 41 -34.064 36.297 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.737 39.119 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.356 38.955 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.433 37.726 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -33.920 37.267 -2.389 1.00 0.00 H new ATOM 651 N LYS A 42 -36.464 38.014 -1.493 1.00 0.00 N ATOM 652 CA LYS A 42 -37.810 38.398 -1.902 1.00 0.00 C ATOM 653 C LYS A 42 -38.571 39.033 -0.743 1.00 0.00 C ATOM 654 O LYS A 42 -39.432 39.888 -0.948 1.00 0.00 O ATOM 655 CB LYS A 42 -38.575 37.178 -2.421 1.00 0.00 C ATOM 656 CG LYS A 42 -39.934 37.517 -3.008 1.00 0.00 C ATOM 657 CD LYS A 42 -39.847 37.783 -4.501 1.00 0.00 C ATOM 658 CE LYS A 42 -39.883 36.489 -5.300 1.00 0.00 C ATOM 659 NZ LYS A 42 -41.210 35.820 -5.212 1.00 0.00 N ATOM 0 H LYS A 42 -36.236 37.034 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.724 39.133 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -37.974 36.679 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.708 36.469 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.626 36.695 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -40.340 38.394 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -40.674 38.424 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -38.927 38.323 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -39.651 36.700 -6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -39.111 35.813 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -41.331 35.181 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -41.265 35.273 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -41.962 36.538 -5.222 1.00 0.00 H new ATOM 673 N GLU A 43 -38.246 38.610 0.475 1.00 0.00 N ATOM 674 CA GLU A 43 -38.899 39.139 1.666 1.00 0.00 C ATOM 675 C GLU A 43 -38.272 40.465 2.088 1.00 0.00 C ATOM 676 O GLU A 43 -38.928 41.506 2.074 1.00 0.00 O ATOM 677 CB GLU A 43 -38.809 38.132 2.814 1.00 0.00 C ATOM 678 CG GLU A 43 -39.883 37.058 2.767 1.00 0.00 C ATOM 679 CD GLU A 43 -41.243 37.574 3.194 1.00 0.00 C ATOM 680 OE1 GLU A 43 -41.318 38.725 3.673 1.00 0.00 O ATOM 681 OE2 GLU A 43 -42.233 36.827 3.049 1.00 0.00 O ATOM 0 H GLU A 43 -37.535 37.903 0.662 1.00 0.00 H new ATOM 0 HA GLU A 43 -39.948 39.313 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -37.829 37.655 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -38.882 38.666 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -39.951 36.661 1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -39.593 36.231 3.415 1.00 0.00 H new ATOM 688 N GLU A 44 -36.997 40.417 2.463 1.00 0.00 N ATOM 689 CA GLU A 44 -36.281 41.613 2.890 1.00 0.00 C ATOM 690 C GLU A 44 -36.429 42.731 1.862 1.00 0.00 C ATOM 691 O GLU A 44 -36.565 43.902 2.217 1.00 0.00 O ATOM 692 CB GLU A 44 -34.800 41.298 3.108 1.00 0.00 C ATOM 693 CG GLU A 44 -34.063 40.927 1.832 1.00 0.00 C ATOM 694 CD GLU A 44 -32.814 40.108 2.097 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.788 39.379 3.111 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.864 40.196 1.291 1.00 0.00 O ATOM 0 H GLU A 44 -36.439 39.563 2.480 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.715 41.949 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.315 42.164 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.713 40.477 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.732 40.363 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.790 41.837 1.297 1.00 0.00 H new ATOM 703 N ALA A 45 -36.401 42.361 0.586 1.00 0.00 N ATOM 704 CA ALA A 45 -36.533 43.331 -0.494 1.00 0.00 C ATOM 705 C ALA A 45 -37.953 43.883 -0.566 1.00 0.00 C ATOM 706 O ALA A 45 -38.154 45.073 -0.808 1.00 0.00 O ATOM 707 CB ALA A 45 -36.142 42.700 -1.822 1.00 0.00 C ATOM 0 H ALA A 45 -36.288 41.396 0.275 1.00 0.00 H new ATOM 0 HA ALA A 45 -35.858 44.162 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.246 43.436 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.107 42.361 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.793 41.850 -2.026 1.00 0.00 H new ATOM 713 N GLU A 46 -38.933 43.011 -0.355 1.00 0.00 N ATOM 714 CA GLU A 46 -40.334 43.412 -0.398 1.00 0.00 C ATOM 715 C GLU A 46 -40.671 44.336 0.769 1.00 0.00 C ATOM 716 O GLU A 46 -41.296 45.382 0.588 1.00 0.00 O ATOM 717 CB GLU A 46 -41.242 42.181 -0.366 1.00 0.00 C ATOM 718 CG GLU A 46 -41.594 41.648 -1.745 1.00 0.00 C ATOM 719 CD GLU A 46 -42.973 42.080 -2.202 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.192 43.299 -2.361 1.00 0.00 O ATOM 721 OE2 GLU A 46 -43.835 41.198 -2.402 1.00 0.00 O ATOM 0 H GLU A 46 -38.783 42.023 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.502 43.954 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -40.751 41.393 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -42.161 42.432 0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -40.852 41.994 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -41.544 40.559 -1.733 1.00 0.00 H new ATOM 728 N LYS A 47 -40.254 43.943 1.968 1.00 0.00 N ATOM 729 CA LYS A 47 -40.510 44.734 3.165 1.00 0.00 C ATOM 730 C LYS A 47 -39.649 45.992 3.180 1.00 0.00 C ATOM 731 O LYS A 47 -40.127 47.080 3.503 1.00 0.00 O ATOM 732 CB LYS A 47 -40.237 43.901 4.420 1.00 0.00 C ATOM 733 CG LYS A 47 -38.837 43.314 4.467 1.00 0.00 C ATOM 734 CD LYS A 47 -37.907 44.158 5.323 1.00 0.00 C ATOM 735 CE LYS A 47 -37.968 43.746 6.786 1.00 0.00 C ATOM 736 NZ LYS A 47 -36.616 43.451 7.336 1.00 0.00 N ATOM 0 H LYS A 47 -39.737 43.080 2.136 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.558 45.033 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.390 44.525 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -40.964 43.090 4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -38.880 42.300 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -38.437 43.243 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -36.885 44.058 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -38.178 45.210 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -38.431 44.542 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -38.602 42.865 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -36.700 43.174 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -36.184 42.674 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -36.018 44.299 7.261 1.00 0.00 H new