USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=2 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= -0.0465 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= -0.178 K(o=-0.18,f=-1.8!) 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+ 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 -12.455 -2.586 -5.234 1.00 0.00 N ATOM 126 CA ASP A 9 -13.590 -2.045 -4.496 1.00 0.00 C ATOM 127 C ASP A 9 -13.337 -0.595 -4.096 1.00 0.00 C ATOM 128 O ASP A 9 -14.271 0.193 -3.950 1.00 0.00 O ATOM 129 CB ASP A 9 -13.867 -2.890 -3.251 1.00 0.00 C ATOM 130 CG ASP A 9 -14.801 -4.050 -3.534 1.00 0.00 C ATOM 131 OD1 ASP A 9 -15.778 -3.854 -4.287 1.00 0.00 O ATOM 132 OD2 ASP A 9 -14.556 -5.153 -3.003 1.00 0.00 O ATOM 0 HA ASP A 9 -14.463 -2.076 -5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.925 -3.273 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.301 -2.258 -2.476 1.00 0.00 H new ATOM 137 N LYS A 10 -12.066 -0.249 -3.917 1.00 0.00 N ATOM 138 CA LYS A 10 -11.688 1.106 -3.534 1.00 0.00 C ATOM 139 C LYS A 10 -11.767 2.051 -4.728 1.00 0.00 C ATOM 140 O LYS A 10 -12.389 3.112 -4.651 1.00 0.00 O ATOM 141 CB LYS A 10 -10.272 1.117 -2.954 1.00 0.00 C ATOM 142 CG LYS A 10 -9.903 2.424 -2.274 1.00 0.00 C ATOM 143 CD LYS A 10 -8.723 2.250 -1.334 1.00 0.00 C ATOM 144 CE LYS A 10 -8.492 3.497 -0.493 1.00 0.00 C ATOM 145 NZ LYS A 10 -9.409 3.552 0.679 1.00 0.00 N ATOM 0 H LYS A 10 -11.280 -0.889 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.389 1.451 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.177 0.304 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.559 0.920 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.661 3.172 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.761 2.800 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.900 1.396 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.826 2.028 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.459 3.516 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.637 4.384 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.221 4.416 1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.395 3.560 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.253 2.719 1.282 1.00 0.00 H new ATOM 159 N ILE A 11 -11.136 1.660 -5.830 1.00 0.00 N ATOM 160 CA ILE A 11 -11.139 2.472 -7.040 1.00 0.00 C ATOM 161 C ILE A 11 -12.539 2.563 -7.638 1.00 0.00 C ATOM 162 O ILE A 11 -12.943 3.611 -8.144 1.00 0.00 O ATOM 163 CB ILE A 11 -10.176 1.905 -8.101 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.528 0.450 -8.415 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.736 2.016 -7.622 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.521 0.299 -9.546 1.00 0.00 C ATOM 0 H ILE A 11 -10.616 0.786 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.804 3.468 -6.752 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.281 2.490 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.616 -0.089 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.936 -0.018 -7.519 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.068 1.611 -8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.491 3.063 -7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.616 1.453 -6.696 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.724 -0.759 -9.713 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.448 0.810 -9.287 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.107 0.737 -10.454 1.00 0.00 H new ATOM 178 N LYS A 12 -13.276 1.460 -7.575 1.00 0.00 N ATOM 179 CA LYS A 12 -14.633 1.415 -8.107 1.00 0.00 C ATOM 180 C LYS A 12 -15.586 2.230 -7.237 1.00 0.00 C ATOM 181 O LYS A 12 -16.602 2.732 -7.716 1.00 0.00 O ATOM 182 CB LYS A 12 -15.120 -0.033 -8.196 1.00 0.00 C ATOM 183 CG LYS A 12 -16.594 -0.159 -8.539 1.00 0.00 C ATOM 184 CD LYS A 12 -17.429 -0.468 -7.308 1.00 0.00 C ATOM 185 CE LYS A 12 -18.534 0.559 -7.112 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.681 0.001 -6.344 1.00 0.00 N ATOM 0 H LYS A 12 -12.957 0.584 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.619 1.850 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.534 -0.559 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.933 -0.529 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.943 0.768 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.730 -0.947 -9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.867 -1.461 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.787 -0.486 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.134 1.427 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.883 0.907 -8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.412 0.732 -6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.079 -0.812 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.354 -0.308 -5.406 1.00 0.00 H new ATOM 200 N SER A 13 -15.249 2.358 -5.958 1.00 0.00 N ATOM 201 CA SER A 13 -16.076 3.110 -5.022 1.00 0.00 C ATOM 202 C SER A 13 -15.638 4.571 -4.964 1.00 0.00 C ATOM 203 O SER A 13 -16.427 5.455 -4.625 1.00 0.00 O ATOM 204 CB SER A 13 -15.999 2.487 -3.627 1.00 0.00 C ATOM 205 OG SER A 13 -16.747 3.243 -2.689 1.00 0.00 O ATOM 0 H SER A 13 -14.409 1.951 -5.546 1.00 0.00 H new ATOM 0 HA SER A 13 -17.107 3.071 -5.373 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.378 1.465 -3.660 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.959 2.431 -3.307 1.00 0.00 H new ATOM 0 HG SER A 13 -16.683 2.824 -1.806 1.00 0.00 H new ATOM 211 N LYS A 14 -14.376 4.818 -5.296 1.00 0.00 N ATOM 212 CA LYS A 14 -13.831 6.170 -5.283 1.00 0.00 C ATOM 213 C LYS A 14 -14.568 7.063 -6.277 1.00 0.00 C ATOM 214 O LYS A 14 -15.288 7.982 -5.884 1.00 0.00 O ATOM 215 CB LYS A 14 -12.338 6.144 -5.616 1.00 0.00 C ATOM 216 CG LYS A 14 -11.547 7.260 -4.955 1.00 0.00 C ATOM 217 CD LYS A 14 -12.152 8.622 -5.250 1.00 0.00 C ATOM 218 CE LYS A 14 -12.138 8.926 -6.741 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.258 10.084 -7.062 1.00 0.00 N ATOM 0 H LYS A 14 -13.710 4.098 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.967 6.580 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.923 5.184 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.214 6.213 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.519 7.099 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.516 7.235 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.177 8.654 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.596 9.392 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.796 8.047 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.153 9.136 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.275 10.260 -8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.599 10.929 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.284 9.873 -6.763 1.00 0.00 H new ATOM 233 N ILE A 15 -14.386 6.785 -7.563 1.00 0.00 N ATOM 234 CA ILE A 15 -15.036 7.562 -8.612 1.00 0.00 C ATOM 235 C ILE A 15 -16.552 7.544 -8.449 1.00 0.00 C ATOM 236 O ILE A 15 -17.220 8.560 -8.644 1.00 0.00 O ATOM 237 CB ILE A 15 -14.674 7.031 -10.012 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.161 6.847 -10.136 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.189 7.977 -11.086 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.741 5.409 -10.344 1.00 0.00 C ATOM 0 H ILE A 15 -13.794 6.028 -7.904 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.675 8.586 -8.517 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.151 6.061 -10.151 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.798 7.447 -10.970 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.682 7.230 -9.235 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.926 7.589 -12.070 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.273 8.061 -11.007 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.738 8.960 -10.952 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.655 5.355 -10.423 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.074 4.807 -9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.191 5.027 -11.260 1.00 0.00 H new ATOM 252 N LEU A 16 -17.089 6.383 -8.090 1.00 0.00 N ATOM 253 CA LEU A 16 -18.527 6.232 -7.898 1.00 0.00 C ATOM 254 C LEU A 16 -19.026 7.139 -6.778 1.00 0.00 C ATOM 255 O LEU A 16 -19.874 8.004 -6.997 1.00 0.00 O ATOM 256 CB LEU A 16 -18.870 4.776 -7.581 1.00 0.00 C ATOM 257 CG LEU A 16 -19.167 3.879 -8.783 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.530 4.209 -9.372 1.00 0.00 C ATOM 259 CD2 LEU A 16 -18.079 4.023 -9.838 1.00 0.00 C ATOM 0 H LEU A 16 -16.550 5.533 -7.926 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.024 6.522 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.040 4.341 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.737 4.764 -6.921 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.182 2.843 -8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.724 3.561 -10.226 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.300 4.054 -8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.544 5.250 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.307 3.377 -10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.032 5.059 -10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -17.118 3.736 -9.411 1.00 0.00 H new ATOM 271 N ASP A 17 -18.491 6.937 -5.578 1.00 0.00 N ATOM 272 CA ASP A 17 -18.879 7.739 -4.424 1.00 0.00 C ATOM 273 C ASP A 17 -18.549 9.211 -4.648 1.00 0.00 C ATOM 274 O ASP A 17 -19.299 10.096 -4.235 1.00 0.00 O ATOM 275 CB ASP A 17 -18.175 7.232 -3.164 1.00 0.00 C ATOM 276 CG ASP A 17 -18.608 5.830 -2.784 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.364 5.210 -3.561 1.00 0.00 O ATOM 278 OD2 ASP A 17 -18.189 5.351 -1.709 1.00 0.00 O ATOM 0 H ASP A 17 -17.788 6.225 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.957 7.643 -4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.097 7.246 -3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.384 7.910 -2.337 1.00 0.00 H new ATOM 283 N ASP A 18 -17.422 9.466 -5.305 1.00 0.00 N ATOM 284 CA ASP A 18 -16.992 10.831 -5.584 1.00 0.00 C ATOM 285 C ASP A 18 -17.970 11.527 -6.526 1.00 0.00 C ATOM 286 O ASP A 18 -18.528 12.573 -6.195 1.00 0.00 O ATOM 287 CB ASP A 18 -15.590 10.831 -6.194 1.00 0.00 C ATOM 288 CG ASP A 18 -15.080 12.232 -6.473 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.059 13.053 -5.533 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.702 12.507 -7.631 1.00 0.00 O ATOM 0 H ASP A 18 -16.790 8.745 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.970 11.379 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.902 10.325 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.601 10.260 -7.122 1.00 0.00 H new ATOM 295 N ALA A 19 -18.172 10.939 -7.701 1.00 0.00 N ATOM 296 CA ALA A 19 -19.083 11.501 -8.690 1.00 0.00 C ATOM 297 C ALA A 19 -20.478 11.694 -8.105 1.00 0.00 C ATOM 298 O ALA A 19 -21.088 12.752 -8.261 1.00 0.00 O ATOM 299 CB ALA A 19 -19.143 10.608 -9.920 1.00 0.00 C ATOM 0 H ALA A 19 -17.717 10.073 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.702 12.479 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.827 11.040 -10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.149 10.526 -10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.496 9.617 -9.634 1.00 0.00 H new ATOM 305 N LYS A 20 -20.979 10.664 -7.430 1.00 0.00 N ATOM 306 CA LYS A 20 -22.302 10.719 -6.821 1.00 0.00 C ATOM 307 C LYS A 20 -22.357 11.788 -5.735 1.00 0.00 C ATOM 308 O LYS A 20 -23.355 12.497 -5.598 1.00 0.00 O ATOM 309 CB LYS A 20 -22.670 9.356 -6.229 1.00 0.00 C ATOM 310 CG LYS A 20 -23.486 8.485 -7.168 1.00 0.00 C ATOM 311 CD LYS A 20 -22.687 7.285 -7.649 1.00 0.00 C ATOM 312 CE LYS A 20 -21.969 7.582 -8.957 1.00 0.00 C ATOM 313 NZ LYS A 20 -22.643 6.938 -10.118 1.00 0.00 N ATOM 0 H LYS A 20 -20.488 9.781 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.022 10.978 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.756 8.828 -5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.233 9.509 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -24.387 8.143 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -23.809 9.076 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.959 7.003 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -23.353 6.433 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.929 8.660 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.939 7.230 -8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.124 7.164 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.659 5.907 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -23.618 7.292 -10.194 1.00 0.00 H new ATOM 327 N ALA A 21 -21.279 11.901 -4.966 1.00 0.00 N ATOM 328 CA ALA A 21 -21.204 12.887 -3.895 1.00 0.00 C ATOM 329 C ALA A 21 -21.229 14.306 -4.452 1.00 0.00 C ATOM 330 O ALA A 21 -21.882 15.189 -3.897 1.00 0.00 O ATOM 331 CB ALA A 21 -19.950 12.667 -3.062 1.00 0.00 C ATOM 0 H ALA A 21 -20.445 11.322 -5.065 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.078 12.760 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.907 13.410 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.974 11.669 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.070 12.764 -3.697 1.00 0.00 H new ATOM 337 N GLU A 22 -20.514 14.518 -5.553 1.00 0.00 N ATOM 338 CA GLU A 22 -20.454 15.831 -6.183 1.00 0.00 C ATOM 339 C GLU A 22 -21.843 16.287 -6.623 1.00 0.00 C ATOM 340 O GLU A 22 -22.196 17.457 -6.483 1.00 0.00 O ATOM 341 CB GLU A 22 -19.510 15.801 -7.387 1.00 0.00 C ATOM 342 CG GLU A 22 -18.627 17.032 -7.499 1.00 0.00 C ATOM 343 CD GLU A 22 -17.178 16.687 -7.785 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.880 16.284 -8.929 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.343 16.820 -6.867 1.00 0.00 O ATOM 0 H GLU A 22 -19.969 13.797 -6.026 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.073 16.541 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.878 14.916 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.100 15.703 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.007 17.676 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.685 17.601 -6.571 1.00 0.00 H new ATOM 352 N ALA A 23 -22.624 15.354 -7.156 1.00 0.00 N ATOM 353 CA ALA A 23 -23.974 15.658 -7.614 1.00 0.00 C ATOM 354 C ALA A 23 -24.956 15.692 -6.448 1.00 0.00 C ATOM 355 O ALA A 23 -26.020 16.302 -6.539 1.00 0.00 O ATOM 356 CB ALA A 23 -24.420 14.640 -8.653 1.00 0.00 C ATOM 0 H ALA A 23 -22.345 14.381 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.961 16.647 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.430 14.879 -8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.740 14.668 -9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.410 13.643 -8.213 1.00 0.00 H new ATOM 362 N ASN A 24 -24.591 15.032 -5.354 1.00 0.00 N ATOM 363 CA ASN A 24 -25.441 14.986 -4.170 1.00 0.00 C ATOM 364 C ASN A 24 -25.229 16.221 -3.299 1.00 0.00 C ATOM 365 O ASN A 24 -26.118 16.628 -2.552 1.00 0.00 O ATOM 366 CB ASN A 24 -25.153 13.721 -3.359 1.00 0.00 C ATOM 367 CG ASN A 24 -25.950 12.527 -3.848 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.038 12.679 -4.405 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.412 11.331 -3.640 1.00 0.00 N ATOM 0 H ASN A 24 -23.713 14.522 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.480 14.970 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.089 13.491 -3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.385 13.904 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.903 10.491 -3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.508 11.252 -3.174 1.00 0.00 H new ATOM 376 N LYS A 25 -24.044 16.814 -3.402 1.00 0.00 N ATOM 377 CA LYS A 25 -23.714 18.003 -2.627 1.00 0.00 C ATOM 378 C LYS A 25 -24.087 19.271 -3.389 1.00 0.00 C ATOM 379 O LYS A 25 -24.236 20.341 -2.798 1.00 0.00 O ATOM 380 CB LYS A 25 -22.221 18.020 -2.290 1.00 0.00 C ATOM 381 CG LYS A 25 -21.932 18.241 -0.815 1.00 0.00 C ATOM 382 CD LYS A 25 -22.470 17.102 0.035 1.00 0.00 C ATOM 383 CE LYS A 25 -21.534 16.778 1.189 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.948 15.541 1.908 1.00 0.00 N ATOM 0 H LYS A 25 -23.296 16.490 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.289 17.973 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.776 17.075 -2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.736 18.806 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.856 18.333 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.380 19.181 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.452 17.370 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.605 16.216 -0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.519 16.656 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.515 17.615 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.285 15.354 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.907 15.667 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.942 14.737 1.248 1.00 0.00 H new ATOM 398 N ILE A 26 -24.238 19.143 -4.703 1.00 0.00 N ATOM 399 CA ILE A 26 -24.597 20.277 -5.544 1.00 0.00 C ATOM 400 C ILE A 26 -26.110 20.457 -5.609 1.00 0.00 C ATOM 401 O ILE A 26 -26.605 21.563 -5.829 1.00 0.00 O ATOM 402 CB ILE A 26 -24.050 20.113 -6.975 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.966 21.473 -7.671 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.926 19.157 -7.771 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.952 22.408 -7.050 1.00 0.00 C ATOM 0 H ILE A 26 -24.117 18.265 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.147 21.160 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.046 19.692 -6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.713 21.320 -8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.948 21.946 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.526 19.052 -8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.939 18.183 -7.282 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.941 19.551 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.947 23.352 -7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -23.216 22.591 -6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.962 21.955 -7.099 1.00 0.00 H new ATOM 417 N ILE A 27 -26.839 19.364 -5.414 1.00 0.00 N ATOM 418 CA ILE A 27 -28.296 19.402 -5.447 1.00 0.00 C ATOM 419 C ILE A 27 -28.861 19.946 -4.139 1.00 0.00 C ATOM 420 O ILE A 27 -29.914 20.584 -4.124 1.00 0.00 O ATOM 421 CB ILE A 27 -28.890 18.005 -5.708 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.354 17.000 -4.685 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.570 17.550 -7.124 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.425 16.426 -3.784 1.00 0.00 C ATOM 0 H ILE A 27 -26.445 18.441 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.576 20.065 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.973 18.061 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.860 16.185 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.597 17.488 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.996 16.561 -7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.995 18.256 -7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.489 17.507 -7.257 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.974 15.722 -3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.904 17.232 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.171 15.909 -4.388 1.00 0.00 H new ATOM 436 N SER A 28 -28.154 19.690 -3.043 1.00 0.00 N ATOM 437 CA SER A 28 -28.586 20.153 -1.729 1.00 0.00 C ATOM 438 C SER A 28 -28.152 21.596 -1.492 1.00 0.00 C ATOM 439 O SER A 28 -28.970 22.454 -1.162 1.00 0.00 O ATOM 440 CB SER A 28 -28.015 19.250 -0.634 1.00 0.00 C ATOM 441 OG SER A 28 -28.988 18.974 0.358 1.00 0.00 O ATOM 0 H SER A 28 -27.280 19.165 -3.039 1.00 0.00 H new ATOM 0 HA SER A 28 -29.675 20.109 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.665 18.316 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.150 19.731 -0.176 1.00 0.00 H new ATOM 0 HG SER A 28 -28.599 18.394 1.045 1.00 0.00 H new ATOM 447 N GLU A 29 -26.859 21.854 -1.662 1.00 0.00 N ATOM 448 CA GLU A 29 -26.316 23.193 -1.465 1.00 0.00 C ATOM 449 C GLU A 29 -27.010 24.201 -2.377 1.00 0.00 C ATOM 450 O GLU A 29 -27.025 25.400 -2.097 1.00 0.00 O ATOM 451 CB GLU A 29 -24.810 23.201 -1.732 1.00 0.00 C ATOM 452 CG GLU A 29 -24.051 24.228 -0.909 1.00 0.00 C ATOM 453 CD GLU A 29 -22.564 23.937 -0.838 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.184 22.758 -0.995 1.00 0.00 O ATOM 455 OE2 GLU A 29 -21.782 24.887 -0.626 1.00 0.00 O ATOM 0 H GLU A 29 -26.169 21.154 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.496 23.481 -0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.407 22.210 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.638 23.397 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.203 25.218 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -24.461 24.253 0.101 1.00 0.00 H new ATOM 462 N ALA A 30 -27.584 23.706 -3.469 1.00 0.00 N ATOM 463 CA ALA A 30 -28.281 24.562 -4.421 1.00 0.00 C ATOM 464 C ALA A 30 -29.713 24.830 -3.971 1.00 0.00 C ATOM 465 O ALA A 30 -30.061 25.957 -3.620 1.00 0.00 O ATOM 466 CB ALA A 30 -28.270 23.930 -5.805 1.00 0.00 C ATOM 0 H ALA A 30 -27.580 22.716 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.757 25.517 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.794 24.580 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.240 23.795 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.768 22.961 -5.767 1.00 0.00 H new ATOM 472 N GLU A 31 -30.539 23.788 -3.986 1.00 0.00 N ATOM 473 CA GLU A 31 -31.934 23.914 -3.581 1.00 0.00 C ATOM 474 C GLU A 31 -32.046 24.593 -2.219 1.00 0.00 C ATOM 475 O GLU A 31 -33.033 25.267 -1.929 1.00 0.00 O ATOM 476 CB GLU A 31 -32.600 22.537 -3.533 1.00 0.00 C ATOM 477 CG GLU A 31 -32.471 21.753 -4.828 1.00 0.00 C ATOM 478 CD GLU A 31 -33.773 21.687 -5.603 1.00 0.00 C ATOM 479 OE1 GLU A 31 -34.787 21.247 -5.021 1.00 0.00 O ATOM 480 OE2 GLU A 31 -33.778 22.075 -6.790 1.00 0.00 O ATOM 0 H GLU A 31 -30.266 22.848 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.446 24.532 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -32.159 21.958 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -33.657 22.662 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.704 22.213 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -32.135 20.741 -4.603 1.00 0.00 H new ATOM 487 N ALA A 32 -31.026 24.408 -1.387 1.00 0.00 N ATOM 488 CA ALA A 32 -31.008 25.003 -0.056 1.00 0.00 C ATOM 489 C ALA A 32 -30.830 26.515 -0.133 1.00 0.00 C ATOM 490 O ALA A 32 -31.759 27.273 0.142 1.00 0.00 O ATOM 491 CB ALA A 32 -29.904 24.381 0.785 1.00 0.00 C ATOM 0 H ALA A 32 -30.202 23.851 -1.611 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.968 24.801 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.902 24.835 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -30.077 23.309 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.940 24.553 0.305 1.00 0.00 H new ATOM 497 N GLU A 33 -29.630 26.947 -0.508 1.00 0.00 N ATOM 498 CA GLU A 33 -29.331 28.370 -0.619 1.00 0.00 C ATOM 499 C GLU A 33 -30.345 29.070 -1.519 1.00 0.00 C ATOM 500 O GLU A 33 -30.675 30.238 -1.310 1.00 0.00 O ATOM 501 CB GLU A 33 -27.918 28.575 -1.170 1.00 0.00 C ATOM 502 CG GLU A 33 -27.769 28.175 -2.628 1.00 0.00 C ATOM 503 CD GLU A 33 -26.319 28.038 -3.050 1.00 0.00 C ATOM 504 OE1 GLU A 33 -25.433 28.181 -2.181 1.00 0.00 O ATOM 505 OE2 GLU A 33 -26.070 27.788 -4.248 1.00 0.00 O ATOM 0 H GLU A 33 -28.850 26.332 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.392 28.807 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.643 29.624 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.216 27.997 -0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -28.283 27.229 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -28.258 28.919 -3.257 1.00 0.00 H new ATOM 512 N LYS A 34 -30.836 28.349 -2.521 1.00 0.00 N ATOM 513 CA LYS A 34 -31.814 28.899 -3.452 1.00 0.00 C ATOM 514 C LYS A 34 -33.105 29.269 -2.730 1.00 0.00 C ATOM 515 O LYS A 34 -33.461 30.443 -2.638 1.00 0.00 O ATOM 516 CB LYS A 34 -32.110 27.891 -4.566 1.00 0.00 C ATOM 517 CG LYS A 34 -33.307 28.266 -5.422 1.00 0.00 C ATOM 518 CD LYS A 34 -33.621 27.187 -6.445 1.00 0.00 C ATOM 519 CE LYS A 34 -33.778 27.771 -7.841 1.00 0.00 C ATOM 520 NZ LYS A 34 -32.483 27.809 -8.575 1.00 0.00 N ATOM 0 H LYS A 34 -30.572 27.382 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.393 29.804 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -31.231 27.799 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -32.284 26.911 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -34.176 28.427 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -33.109 29.208 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -32.824 26.444 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -34.537 26.670 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -34.497 27.177 -8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -34.184 28.780 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -32.632 28.213 -9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -31.804 28.397 -8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -32.107 26.844 -8.666 1.00 0.00 H new ATOM 534 N ALA A 35 -33.803 28.259 -2.219 1.00 0.00 N ATOM 535 CA ALA A 35 -35.053 28.480 -1.503 1.00 0.00 C ATOM 536 C ALA A 35 -34.843 29.396 -0.302 1.00 0.00 C ATOM 537 O ALA A 35 -35.794 29.968 0.230 1.00 0.00 O ATOM 538 CB ALA A 35 -35.647 27.152 -1.058 1.00 0.00 C ATOM 0 H ALA A 35 -33.524 27.280 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.751 28.969 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.580 27.331 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.842 26.530 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.945 26.642 -0.399 1.00 0.00 H new ATOM 544 N LYS A 36 -33.590 29.531 0.122 1.00 0.00 N ATOM 545 CA LYS A 36 -33.254 30.379 1.259 1.00 0.00 C ATOM 546 C LYS A 36 -33.149 31.840 0.837 1.00 0.00 C ATOM 547 O LYS A 36 -33.746 32.720 1.458 1.00 0.00 O ATOM 548 CB LYS A 36 -31.936 29.922 1.890 1.00 0.00 C ATOM 549 CG LYS A 36 -31.717 30.457 3.294 1.00 0.00 C ATOM 550 CD LYS A 36 -30.319 30.139 3.800 1.00 0.00 C ATOM 551 CE LYS A 36 -29.346 31.268 3.493 1.00 0.00 C ATOM 552 NZ LYS A 36 -28.092 31.150 4.287 1.00 0.00 N ATOM 0 H LYS A 36 -32.791 29.063 -0.306 1.00 0.00 H new ATOM 0 HA LYS A 36 -34.053 30.290 1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.915 28.833 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.109 30.241 1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -31.871 31.536 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -32.456 30.025 3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.351 29.967 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -29.965 29.217 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.105 31.261 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -29.822 32.225 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.455 31.937 4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -28.319 31.182 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -27.624 30.248 4.066 1.00 0.00 H new ATOM 566 N ILE A 37 -32.388 32.092 -0.223 1.00 0.00 N ATOM 567 CA ILE A 37 -32.208 33.447 -0.729 1.00 0.00 C ATOM 568 C ILE A 37 -33.445 33.921 -1.483 1.00 0.00 C ATOM 569 O ILE A 37 -33.741 35.116 -1.524 1.00 0.00 O ATOM 570 CB ILE A 37 -30.985 33.542 -1.660 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.262 32.813 -2.977 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.753 32.965 -0.978 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.084 32.813 -3.927 1.00 0.00 C ATOM 0 H ILE A 37 -31.886 31.376 -0.748 1.00 0.00 H new ATOM 0 HA ILE A 37 -32.046 34.088 0.137 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.795 34.593 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -31.544 31.783 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.115 33.280 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.897 33.040 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.548 33.523 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.930 31.918 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.352 32.279 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -29.815 33.840 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.235 32.320 -3.454 1.00 0.00 H new ATOM 585 N LEU A 38 -34.167 32.978 -2.078 1.00 0.00 N ATOM 586 CA LEU A 38 -35.375 33.298 -2.830 1.00 0.00 C ATOM 587 C LEU A 38 -36.447 33.882 -1.915 1.00 0.00 C ATOM 588 O LEU A 38 -37.158 34.812 -2.293 1.00 0.00 O ATOM 589 CB LEU A 38 -35.911 32.048 -3.529 1.00 0.00 C ATOM 590 CG LEU A 38 -35.518 31.879 -4.997 1.00 0.00 C ATOM 591 CD1 LEU A 38 -35.999 33.065 -5.818 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.011 31.712 -5.130 1.00 0.00 C ATOM 0 H LEU A 38 -33.937 31.985 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.118 34.045 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.567 31.173 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.999 32.058 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.998 30.979 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.710 32.927 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.084 33.139 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.548 33.980 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.750 31.593 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.510 32.593 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.692 30.830 -4.575 1.00 0.00 H new ATOM 604 N GLU A 39 -36.554 33.331 -0.710 1.00 0.00 N ATOM 605 CA GLU A 39 -37.538 33.800 0.258 1.00 0.00 C ATOM 606 C GLU A 39 -36.961 34.915 1.125 1.00 0.00 C ATOM 607 O GLU A 39 -37.678 35.820 1.553 1.00 0.00 O ATOM 608 CB GLU A 39 -38.007 32.642 1.142 1.00 0.00 C ATOM 609 CG GLU A 39 -38.852 31.617 0.405 1.00 0.00 C ATOM 610 CD GLU A 39 -40.105 32.220 -0.201 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.998 32.633 0.569 1.00 0.00 O ATOM 612 OE2 GLU A 39 -40.191 32.281 -1.445 1.00 0.00 O ATOM 0 H GLU A 39 -35.972 32.560 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.391 34.197 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -37.135 32.144 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -38.583 33.043 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -38.255 31.160 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -39.133 30.821 1.094 1.00 0.00 H new ATOM 619 N LYS A 40 -35.659 34.843 1.382 1.00 0.00 N ATOM 620 CA LYS A 40 -34.983 35.845 2.196 1.00 0.00 C ATOM 621 C LYS A 40 -34.849 37.162 1.439 1.00 0.00 C ATOM 622 O LYS A 40 -35.131 38.231 1.980 1.00 0.00 O ATOM 623 CB LYS A 40 -33.599 35.343 2.615 1.00 0.00 C ATOM 624 CG LYS A 40 -32.776 36.379 3.361 1.00 0.00 C ATOM 625 CD LYS A 40 -31.893 35.735 4.416 1.00 0.00 C ATOM 626 CE LYS A 40 -32.513 35.840 5.801 1.00 0.00 C ATOM 627 NZ LYS A 40 -31.606 36.524 6.764 1.00 0.00 N ATOM 0 H LYS A 40 -35.051 34.100 1.038 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.586 36.018 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.717 34.462 3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -33.052 35.028 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.156 36.931 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.441 37.102 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -31.732 34.686 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -30.915 36.216 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -33.454 36.387 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -32.749 34.842 6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -32.065 36.576 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -30.718 35.989 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -31.401 37.486 6.425 1.00 0.00 H new ATOM 641 N ALA A 41 -34.419 37.077 0.185 1.00 0.00 N ATOM 642 CA ALA A 41 -34.252 38.262 -0.648 1.00 0.00 C ATOM 643 C ALA A 41 -35.602 38.861 -1.027 1.00 0.00 C ATOM 644 O ALA A 41 -35.784 40.079 -0.996 1.00 0.00 O ATOM 645 CB ALA A 41 -33.453 37.922 -1.897 1.00 0.00 C ATOM 0 H ALA A 41 -34.180 36.200 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.703 39.006 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.336 38.816 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.470 37.548 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -33.979 37.157 -2.468 1.00 0.00 H new ATOM 651 N LYS A 42 -36.546 37.999 -1.387 1.00 0.00 N ATOM 652 CA LYS A 42 -37.881 38.442 -1.773 1.00 0.00 C ATOM 653 C LYS A 42 -38.622 39.039 -0.581 1.00 0.00 C ATOM 654 O LYS A 42 -39.532 39.850 -0.748 1.00 0.00 O ATOM 655 CB LYS A 42 -38.682 37.272 -2.351 1.00 0.00 C ATOM 656 CG LYS A 42 -40.108 37.637 -2.722 1.00 0.00 C ATOM 657 CD LYS A 42 -40.505 37.040 -4.062 1.00 0.00 C ATOM 658 CE LYS A 42 -40.852 35.565 -3.935 1.00 0.00 C ATOM 659 NZ LYS A 42 -40.749 34.856 -5.241 1.00 0.00 N ATOM 0 H LYS A 42 -36.412 36.988 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.774 39.213 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.170 36.894 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.701 36.461 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -40.789 37.282 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -40.209 38.722 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -41.361 37.583 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -39.687 37.163 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -40.183 35.096 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -41.865 35.462 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -40.993 33.853 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -41.405 35.287 -5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -39.776 34.932 -5.601 1.00 0.00 H new ATOM 673 N GLU A 43 -38.224 38.634 0.621 1.00 0.00 N ATOM 674 CA GLU A 43 -38.851 39.131 1.840 1.00 0.00 C ATOM 675 C GLU A 43 -38.173 40.413 2.316 1.00 0.00 C ATOM 676 O GLU A 43 -38.840 41.365 2.722 1.00 0.00 O ATOM 677 CB GLU A 43 -38.790 38.070 2.940 1.00 0.00 C ATOM 678 CG GLU A 43 -39.339 38.545 4.275 1.00 0.00 C ATOM 679 CD GLU A 43 -39.921 37.415 5.102 1.00 0.00 C ATOM 680 OE1 GLU A 43 -40.516 36.491 4.508 1.00 0.00 O ATOM 681 OE2 GLU A 43 -39.781 37.454 6.342 1.00 0.00 O ATOM 0 H GLU A 43 -37.471 37.964 0.777 1.00 0.00 H new ATOM 0 HA GLU A 43 -39.895 39.353 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.350 37.192 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.755 37.756 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.543 39.030 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.109 39.296 4.100 1.00 0.00 H new ATOM 688 N GLU A 44 -36.845 40.428 2.265 1.00 0.00 N ATOM 689 CA GLU A 44 -36.078 41.592 2.692 1.00 0.00 C ATOM 690 C GLU A 44 -36.191 42.722 1.673 1.00 0.00 C ATOM 691 O GLU A 44 -36.206 43.899 2.035 1.00 0.00 O ATOM 692 CB GLU A 44 -34.608 41.216 2.892 1.00 0.00 C ATOM 693 CG GLU A 44 -33.842 41.042 1.592 1.00 0.00 C ATOM 694 CD GLU A 44 -32.573 40.230 1.767 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.338 39.731 2.887 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.814 40.095 0.784 1.00 0.00 O ATOM 0 H GLU A 44 -36.278 39.648 1.932 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.490 41.939 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.122 41.988 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.553 40.289 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.484 40.553 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.589 42.023 1.190 1.00 0.00 H new ATOM 703 N ALA A 45 -36.269 42.356 0.398 1.00 0.00 N ATOM 704 CA ALA A 45 -36.382 43.338 -0.673 1.00 0.00 C ATOM 705 C ALA A 45 -37.789 43.923 -0.735 1.00 0.00 C ATOM 706 O ALA A 45 -37.977 45.067 -1.149 1.00 0.00 O ATOM 707 CB ALA A 45 -36.011 42.708 -2.008 1.00 0.00 C ATOM 0 H ALA A 45 -36.256 41.386 0.082 1.00 0.00 H new ATOM 0 HA ALA A 45 -35.688 44.151 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.100 43.453 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -34.984 42.344 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.683 41.875 -2.217 1.00 0.00 H new ATOM 713 N GLU A 46 -38.773 43.132 -0.321 1.00 0.00 N ATOM 714 CA GLU A 46 -40.163 43.572 -0.332 1.00 0.00 C ATOM 715 C GLU A 46 -40.452 44.489 0.853 1.00 0.00 C ATOM 716 O GLU A 46 -41.102 45.525 0.708 1.00 0.00 O ATOM 717 CB GLU A 46 -41.104 42.366 -0.299 1.00 0.00 C ATOM 718 CG GLU A 46 -41.442 41.820 -1.676 1.00 0.00 C ATOM 719 CD GLU A 46 -42.716 42.415 -2.243 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.765 42.319 -1.572 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.665 42.976 -3.358 1.00 0.00 O ATOM 0 H GLU A 46 -38.634 42.183 0.026 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.333 44.131 -1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -40.646 41.574 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -42.027 42.650 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -40.616 42.025 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -41.546 40.737 -1.618 1.00 0.00 H new ATOM 728 N LYS A 47 -39.965 44.101 2.027 1.00 0.00 N ATOM 729 CA LYS A 47 -40.169 44.886 3.238 1.00 0.00 C ATOM 730 C LYS A 47 -39.189 46.053 3.301 1.00 0.00 C ATOM 731 O LYS A 47 -39.539 47.147 3.745 1.00 0.00 O ATOM 732 CB LYS A 47 -40.007 44.003 4.477 1.00 0.00 C ATOM 733 CG LYS A 47 -38.590 43.493 4.679 1.00 0.00 C ATOM 734 CD LYS A 47 -38.571 42.202 5.481 1.00 0.00 C ATOM 735 CE LYS A 47 -38.242 42.459 6.943 1.00 0.00 C ATOM 736 NZ LYS A 47 -36.888 41.955 7.304 1.00 0.00 N ATOM 0 H LYS A 47 -39.426 43.246 2.165 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.183 45.286 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.310 44.569 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -40.683 43.152 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -38.120 43.327 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -37.999 44.251 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -39.542 41.712 5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -37.835 41.519 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -38.297 43.529 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -38.989 41.977 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -36.702 42.149 8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -36.843 40.930 7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -36.172 42.434 6.720 1.00 0.00 H new