USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 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+ 169:sc=-0.00471 (180deg=-0.192) USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= -0.151 (180deg=-0.807) 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+ -168:sc= -0.0684 (180deg=-0.319) USER MOD Single : A 24 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.6!) 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+ -173:sc= 0 (180deg=-0.0199) 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 -13.168 -2.946 -5.149 1.00 0.00 N ATOM 126 CA ASP A 9 -14.187 -2.285 -4.341 1.00 0.00 C ATOM 127 C ASP A 9 -13.775 -0.854 -4.012 1.00 0.00 C ATOM 128 O ASP A 9 -14.622 0.019 -3.820 1.00 0.00 O ATOM 129 CB ASP A 9 -14.431 -3.069 -3.051 1.00 0.00 C ATOM 130 CG ASP A 9 -15.474 -4.156 -3.222 1.00 0.00 C ATOM 131 OD1 ASP A 9 -16.492 -3.900 -3.896 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.271 -5.263 -2.681 1.00 0.00 O ATOM 0 HA ASP A 9 -15.111 -2.254 -4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.494 -3.517 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.751 -2.383 -2.267 1.00 0.00 H new ATOM 137 N LYS A 10 -12.469 -0.619 -3.948 1.00 0.00 N ATOM 138 CA LYS A 10 -11.943 0.706 -3.643 1.00 0.00 C ATOM 139 C LYS A 10 -12.035 1.622 -4.859 1.00 0.00 C ATOM 140 O LYS A 10 -12.552 2.736 -4.772 1.00 0.00 O ATOM 141 CB LYS A 10 -10.489 0.606 -3.176 1.00 0.00 C ATOM 142 CG LYS A 10 -9.875 1.945 -2.807 1.00 0.00 C ATOM 143 CD LYS A 10 -8.835 1.797 -1.709 1.00 0.00 C ATOM 144 CE LYS A 10 -8.092 3.103 -1.466 1.00 0.00 C ATOM 145 NZ LYS A 10 -9.027 4.233 -1.209 1.00 0.00 N ATOM 0 H LYS A 10 -11.754 -1.330 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.547 1.133 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.438 -0.058 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.893 0.148 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.414 2.390 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.659 2.627 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.320 1.476 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.124 1.018 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.421 2.986 -0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.472 3.335 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.491 5.056 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.520 4.483 -2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.724 3.951 -0.490 1.00 0.00 H new ATOM 159 N ILE A 11 -11.532 1.144 -5.993 1.00 0.00 N ATOM 160 CA ILE A 11 -11.560 1.919 -7.227 1.00 0.00 C ATOM 161 C ILE A 11 -12.991 2.125 -7.714 1.00 0.00 C ATOM 162 O ILE A 11 -13.340 3.193 -8.218 1.00 0.00 O ATOM 163 CB ILE A 11 -10.744 1.236 -8.340 1.00 0.00 C ATOM 164 CG1 ILE A 11 -11.249 -0.190 -8.570 1.00 0.00 C ATOM 165 CG2 ILE A 11 -9.265 1.228 -7.983 1.00 0.00 C ATOM 166 CD1 ILE A 11 -12.340 -0.283 -9.615 1.00 0.00 C ATOM 0 H ILE A 11 -11.100 0.224 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.112 2.887 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.872 1.801 -9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.412 -0.819 -8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.624 -0.591 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.701 0.742 -8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.914 2.253 -7.863 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.119 0.683 -7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.650 -1.322 -9.726 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.194 0.319 -9.304 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.963 0.087 -10.568 1.00 0.00 H new ATOM 178 N LYS A 12 -13.816 1.096 -7.559 1.00 0.00 N ATOM 179 CA LYS A 12 -15.211 1.163 -7.980 1.00 0.00 C ATOM 180 C LYS A 12 -16.011 2.087 -7.067 1.00 0.00 C ATOM 181 O LYS A 12 -17.009 2.674 -7.483 1.00 0.00 O ATOM 182 CB LYS A 12 -15.833 -0.235 -7.979 1.00 0.00 C ATOM 183 CG LYS A 12 -17.338 -0.232 -8.186 1.00 0.00 C ATOM 184 CD LYS A 12 -18.083 -0.288 -6.863 1.00 0.00 C ATOM 185 CE LYS A 12 -18.476 -1.713 -6.505 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.394 -2.306 -7.516 1.00 0.00 N ATOM 0 H LYS A 12 -13.543 0.205 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.240 1.567 -8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.368 -0.831 -8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.606 -0.724 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.629 0.666 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.623 -1.085 -8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.456 0.127 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.977 0.333 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.579 -2.327 -6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.958 -1.722 -5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.008 -3.009 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.979 -1.556 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.836 -2.769 -8.262 1.00 0.00 H new ATOM 200 N SER A 13 -15.565 2.211 -5.821 1.00 0.00 N ATOM 201 CA SER A 13 -16.241 3.062 -4.848 1.00 0.00 C ATOM 202 C SER A 13 -15.673 4.478 -4.879 1.00 0.00 C ATOM 203 O SER A 13 -16.350 5.440 -4.513 1.00 0.00 O ATOM 204 CB SER A 13 -16.103 2.475 -3.442 1.00 0.00 C ATOM 205 OG SER A 13 -16.748 3.294 -2.482 1.00 0.00 O ATOM 0 H SER A 13 -14.739 1.733 -5.461 1.00 0.00 H new ATOM 0 HA SER A 13 -17.297 3.107 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.533 1.474 -3.419 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.048 2.374 -3.189 1.00 0.00 H new ATOM 0 HG SER A 13 -16.647 2.897 -1.592 1.00 0.00 H new ATOM 211 N LYS A 14 -14.425 4.599 -5.317 1.00 0.00 N ATOM 212 CA LYS A 14 -13.764 5.897 -5.397 1.00 0.00 C ATOM 213 C LYS A 14 -14.497 6.822 -6.363 1.00 0.00 C ATOM 214 O LYS A 14 -15.090 7.820 -5.951 1.00 0.00 O ATOM 215 CB LYS A 14 -12.310 5.725 -5.843 1.00 0.00 C ATOM 216 CG LYS A 14 -11.374 6.783 -5.285 1.00 0.00 C ATOM 217 CD LYS A 14 -11.879 8.185 -5.579 1.00 0.00 C ATOM 218 CE LYS A 14 -11.958 8.447 -7.075 1.00 0.00 C ATOM 219 NZ LYS A 14 -10.995 9.499 -7.505 1.00 0.00 N ATOM 0 H LYS A 14 -13.850 3.814 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.783 6.348 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.958 4.741 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.267 5.752 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.274 6.650 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.381 6.655 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.864 8.319 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.217 8.916 -5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.753 7.524 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.971 8.753 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.079 9.649 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.206 10.387 -7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.026 9.197 -7.278 1.00 0.00 H new ATOM 233 N ILE A 15 -14.453 6.484 -7.647 1.00 0.00 N ATOM 234 CA ILE A 15 -15.115 7.284 -8.670 1.00 0.00 C ATOM 235 C ILE A 15 -16.610 7.402 -8.393 1.00 0.00 C ATOM 236 O ILE A 15 -17.203 8.467 -8.571 1.00 0.00 O ATOM 237 CB ILE A 15 -14.910 6.684 -10.074 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.432 6.365 -10.305 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.424 7.641 -11.139 1.00 0.00 C ATOM 240 CD1 ILE A 15 -13.154 4.891 -10.498 1.00 0.00 C ATOM 0 H ILE A 15 -13.966 5.662 -8.004 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.662 8.275 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.478 5.756 -10.143 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.084 6.910 -11.183 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.854 6.727 -9.455 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.272 7.203 -12.126 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.487 7.823 -10.982 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.881 8.584 -11.073 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.086 4.740 -10.657 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.471 4.342 -9.611 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.705 4.527 -11.366 1.00 0.00 H new ATOM 252 N LEU A 16 -17.213 6.303 -7.955 1.00 0.00 N ATOM 253 CA LEU A 16 -18.640 6.283 -7.651 1.00 0.00 C ATOM 254 C LEU A 16 -18.972 7.264 -6.532 1.00 0.00 C ATOM 255 O LEU A 16 -19.771 8.182 -6.714 1.00 0.00 O ATOM 256 CB LEU A 16 -19.077 4.872 -7.254 1.00 0.00 C ATOM 257 CG LEU A 16 -19.472 3.943 -8.403 1.00 0.00 C ATOM 258 CD1 LEU A 16 -19.867 2.574 -7.872 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.609 4.551 -9.213 1.00 0.00 C ATOM 0 H LEU A 16 -16.737 5.414 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.182 6.586 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.264 4.404 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.923 4.954 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.610 3.820 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.145 1.927 -8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -19.025 2.135 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.714 2.677 -7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.877 3.877 -10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -21.474 4.704 -8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.290 5.508 -9.625 1.00 0.00 H new ATOM 271 N ASP A 17 -18.351 7.065 -5.374 1.00 0.00 N ATOM 272 CA ASP A 17 -18.578 7.934 -4.225 1.00 0.00 C ATOM 273 C ASP A 17 -18.142 9.363 -4.531 1.00 0.00 C ATOM 274 O ASP A 17 -18.782 10.323 -4.101 1.00 0.00 O ATOM 275 CB ASP A 17 -17.823 7.407 -3.004 1.00 0.00 C ATOM 276 CG ASP A 17 -18.241 8.101 -1.722 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.403 8.550 -1.641 1.00 0.00 O ATOM 278 OD2 ASP A 17 -17.404 8.195 -0.799 1.00 0.00 O ATOM 0 H ASP A 17 -17.687 6.309 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.646 7.938 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.997 6.335 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.752 7.544 -3.155 1.00 0.00 H new ATOM 283 N ASP A 18 -17.050 9.497 -5.275 1.00 0.00 N ATOM 284 CA ASP A 18 -16.528 10.809 -5.638 1.00 0.00 C ATOM 285 C ASP A 18 -17.515 11.560 -6.526 1.00 0.00 C ATOM 286 O ASP A 18 -17.951 12.661 -6.194 1.00 0.00 O ATOM 287 CB ASP A 18 -15.184 10.667 -6.355 1.00 0.00 C ATOM 288 CG ASP A 18 -14.686 11.983 -6.917 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.186 12.402 -7.982 1.00 0.00 O ATOM 290 OD2 ASP A 18 -13.796 12.596 -6.292 1.00 0.00 O ATOM 0 H ASP A 18 -16.509 8.713 -5.639 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.383 11.381 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.445 10.269 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.282 9.943 -7.164 1.00 0.00 H new ATOM 295 N ALA A 19 -17.863 10.956 -7.658 1.00 0.00 N ATOM 296 CA ALA A 19 -18.799 11.566 -8.594 1.00 0.00 C ATOM 297 C ALA A 19 -20.168 11.763 -7.951 1.00 0.00 C ATOM 298 O ALA A 19 -20.810 12.796 -8.137 1.00 0.00 O ATOM 299 CB ALA A 19 -18.920 10.716 -9.850 1.00 0.00 C ATOM 0 H ALA A 19 -17.510 10.044 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.412 12.547 -8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.622 11.184 -10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -17.944 10.632 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.281 9.722 -9.584 1.00 0.00 H new ATOM 305 N LYS A 20 -20.610 10.764 -7.195 1.00 0.00 N ATOM 306 CA LYS A 20 -21.903 10.826 -6.524 1.00 0.00 C ATOM 307 C LYS A 20 -21.961 12.009 -5.563 1.00 0.00 C ATOM 308 O LYS A 20 -22.922 12.778 -5.569 1.00 0.00 O ATOM 309 CB LYS A 20 -22.169 9.524 -5.764 1.00 0.00 C ATOM 310 CG LYS A 20 -22.662 8.393 -6.649 1.00 0.00 C ATOM 311 CD LYS A 20 -24.037 8.691 -7.222 1.00 0.00 C ATOM 312 CE LYS A 20 -25.070 8.883 -6.121 1.00 0.00 C ATOM 313 NZ LYS A 20 -25.104 7.726 -5.185 1.00 0.00 N ATOM 0 H LYS A 20 -20.091 9.901 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 20 -22.673 10.960 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.252 9.210 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -22.907 9.712 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -21.955 8.232 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.700 7.469 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -23.989 9.589 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -24.346 7.874 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -24.844 9.793 -5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -26.055 9.018 -6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -25.945 7.795 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -25.142 6.840 -5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -24.249 7.733 -4.593 1.00 0.00 H new ATOM 327 N ALA A 21 -20.927 12.149 -4.741 1.00 0.00 N ATOM 328 CA ALA A 21 -20.859 13.241 -3.777 1.00 0.00 C ATOM 329 C ALA A 21 -20.893 14.595 -4.479 1.00 0.00 C ATOM 330 O ALA A 21 -21.519 15.538 -3.997 1.00 0.00 O ATOM 331 CB ALA A 21 -19.605 13.117 -2.926 1.00 0.00 C ATOM 0 H ALA A 21 -20.124 11.520 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.732 13.175 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.568 13.939 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.622 12.169 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.725 13.154 -3.568 1.00 0.00 H new ATOM 337 N GLU A 22 -20.214 14.683 -5.618 1.00 0.00 N ATOM 338 CA GLU A 22 -20.166 15.923 -6.384 1.00 0.00 C ATOM 339 C GLU A 22 -21.569 16.371 -6.783 1.00 0.00 C ATOM 340 O GLU A 22 -21.922 17.542 -6.640 1.00 0.00 O ATOM 341 CB GLU A 22 -19.302 15.743 -7.634 1.00 0.00 C ATOM 342 CG GLU A 22 -18.331 16.887 -7.873 1.00 0.00 C ATOM 343 CD GLU A 22 -16.882 16.450 -7.787 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.541 15.705 -6.846 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.088 16.854 -8.663 1.00 0.00 O ATOM 0 H GLU A 22 -19.690 13.911 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.723 16.693 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.740 14.813 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.952 15.642 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.519 17.318 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.514 17.673 -7.140 1.00 0.00 H new ATOM 352 N ALA A 23 -22.364 15.431 -7.283 1.00 0.00 N ATOM 353 CA ALA A 23 -23.729 15.728 -7.701 1.00 0.00 C ATOM 354 C ALA A 23 -24.668 15.794 -6.501 1.00 0.00 C ATOM 355 O ALA A 23 -25.751 16.373 -6.580 1.00 0.00 O ATOM 356 CB ALA A 23 -24.214 14.686 -8.697 1.00 0.00 C ATOM 0 H ALA A 23 -22.087 14.457 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.731 16.705 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.234 14.920 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.565 14.690 -9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.191 13.700 -8.233 1.00 0.00 H new ATOM 362 N ASN A 24 -24.247 15.195 -5.392 1.00 0.00 N ATOM 363 CA ASN A 24 -25.052 15.185 -4.176 1.00 0.00 C ATOM 364 C ASN A 24 -24.865 16.479 -3.389 1.00 0.00 C ATOM 365 O ASN A 24 -25.707 16.847 -2.570 1.00 0.00 O ATOM 366 CB ASN A 24 -24.679 13.985 -3.303 1.00 0.00 C ATOM 367 CG ASN A 24 -25.600 12.801 -3.523 1.00 0.00 C ATOM 368 OD1 ASN A 24 -26.774 12.967 -3.853 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.070 11.597 -3.341 1.00 0.00 N ATOM 0 H ASN A 24 -23.353 14.710 -5.310 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.100 15.104 -4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.652 13.688 -3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.713 14.278 -2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.641 10.763 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.092 11.507 -3.067 1.00 0.00 H new ATOM 376 N LYS A 25 -23.757 17.165 -3.644 1.00 0.00 N ATOM 377 CA LYS A 25 -23.459 18.419 -2.962 1.00 0.00 C ATOM 378 C LYS A 25 -24.026 19.606 -3.733 1.00 0.00 C ATOM 379 O LYS A 25 -24.482 20.583 -3.139 1.00 0.00 O ATOM 380 CB LYS A 25 -21.947 18.583 -2.791 1.00 0.00 C ATOM 381 CG LYS A 25 -21.521 18.834 -1.354 1.00 0.00 C ATOM 382 CD LYS A 25 -21.913 17.681 -0.447 1.00 0.00 C ATOM 383 CE LYS A 25 -21.124 17.701 0.853 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.460 16.540 1.724 1.00 0.00 N ATOM 0 H LYS A 25 -23.050 16.874 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.929 18.390 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.449 17.685 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.607 19.412 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.441 18.979 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.980 19.754 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.979 17.736 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.742 16.736 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.057 17.691 0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.329 18.628 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.902 16.590 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.473 16.563 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.240 15.655 1.223 1.00 0.00 H new ATOM 398 N ILE A 26 -23.995 19.513 -5.059 1.00 0.00 N ATOM 399 CA ILE A 26 -24.509 20.579 -5.910 1.00 0.00 C ATOM 400 C ILE A 26 -26.029 20.663 -5.829 1.00 0.00 C ATOM 401 O ILE A 26 -26.609 21.741 -5.965 1.00 0.00 O ATOM 402 CB ILE A 26 -24.095 20.374 -7.379 1.00 0.00 C ATOM 403 CG1 ILE A 26 -24.782 19.136 -7.958 1.00 0.00 C ATOM 404 CG2 ILE A 26 -22.582 20.248 -7.491 1.00 0.00 C ATOM 405 CD1 ILE A 26 -26.016 19.454 -8.773 1.00 0.00 C ATOM 0 H ILE A 26 -23.620 18.711 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.077 21.511 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.411 21.244 -7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -24.072 18.596 -8.585 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -25.058 18.469 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -22.305 20.104 -8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.112 21.156 -7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.244 19.394 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.450 18.529 -9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -26.745 19.967 -8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.743 20.096 -9.610 1.00 0.00 H new ATOM 417 N ILE A 27 -26.668 19.520 -5.606 1.00 0.00 N ATOM 418 CA ILE A 27 -28.121 19.465 -5.504 1.00 0.00 C ATOM 419 C ILE A 27 -28.600 20.025 -4.169 1.00 0.00 C ATOM 420 O ILE A 27 -29.676 20.616 -4.082 1.00 0.00 O ATOM 421 CB ILE A 27 -28.642 18.024 -5.660 1.00 0.00 C ATOM 422 CG1 ILE A 27 -27.965 17.101 -4.644 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.406 17.525 -7.077 1.00 0.00 C ATOM 424 CD1 ILE A 27 -28.904 16.586 -3.575 1.00 0.00 C ATOM 0 H ILE A 27 -26.203 18.619 -5.492 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.518 20.076 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.715 18.019 -5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.527 16.253 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.145 17.638 -4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.780 16.505 -7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.931 18.170 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.338 17.542 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.356 15.939 -2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.322 17.427 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -29.711 16.021 -4.041 1.00 0.00 H new ATOM 436 N SER A 28 -27.792 19.836 -3.130 1.00 0.00 N ATOM 437 CA SER A 28 -28.134 20.321 -1.798 1.00 0.00 C ATOM 438 C SER A 28 -27.717 21.778 -1.627 1.00 0.00 C ATOM 439 O SER A 28 -28.507 22.612 -1.185 1.00 0.00 O ATOM 440 CB SER A 28 -27.461 19.457 -0.730 1.00 0.00 C ATOM 441 OG SER A 28 -27.928 19.792 0.566 1.00 0.00 O ATOM 0 H SER A 28 -26.897 19.351 -3.185 1.00 0.00 H new ATOM 0 HA SER A 28 -29.216 20.255 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 28 -27.660 18.404 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 28 -26.380 19.592 -0.777 1.00 0.00 H new ATOM 0 HG SER A 28 -27.484 19.225 1.230 1.00 0.00 H new ATOM 447 N GLU A 29 -26.471 22.076 -1.981 1.00 0.00 N ATOM 448 CA GLU A 29 -25.949 23.433 -1.866 1.00 0.00 C ATOM 449 C GLU A 29 -26.759 24.402 -2.721 1.00 0.00 C ATOM 450 O GLU A 29 -26.746 25.611 -2.490 1.00 0.00 O ATOM 451 CB GLU A 29 -24.477 23.474 -2.284 1.00 0.00 C ATOM 452 CG GLU A 29 -23.690 24.598 -1.630 1.00 0.00 C ATOM 453 CD GLU A 29 -23.307 24.285 -0.197 1.00 0.00 C ATOM 454 OE1 GLU A 29 -23.325 23.093 0.175 1.00 0.00 O ATOM 455 OE2 GLU A 29 -22.990 25.231 0.553 1.00 0.00 O ATOM 0 H GLU A 29 -25.805 21.397 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.032 23.740 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.010 22.521 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.418 23.583 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -22.787 24.789 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -24.283 25.512 -1.652 1.00 0.00 H new ATOM 462 N ALA A 30 -27.463 23.863 -3.711 1.00 0.00 N ATOM 463 CA ALA A 30 -28.281 24.678 -4.600 1.00 0.00 C ATOM 464 C ALA A 30 -29.658 24.935 -3.998 1.00 0.00 C ATOM 465 O ALA A 30 -29.987 26.065 -3.639 1.00 0.00 O ATOM 466 CB ALA A 30 -28.413 24.007 -5.959 1.00 0.00 C ATOM 0 H ALA A 30 -27.483 22.864 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.785 25.640 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -29.027 24.627 -6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.424 23.882 -6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.883 23.031 -5.839 1.00 0.00 H new ATOM 472 N GLU A 31 -30.459 23.879 -3.893 1.00 0.00 N ATOM 473 CA GLU A 31 -31.802 23.992 -3.336 1.00 0.00 C ATOM 474 C GLU A 31 -31.776 24.723 -1.997 1.00 0.00 C ATOM 475 O GLU A 31 -32.731 25.408 -1.633 1.00 0.00 O ATOM 476 CB GLU A 31 -32.424 22.606 -3.161 1.00 0.00 C ATOM 477 CG GLU A 31 -31.632 21.696 -2.237 1.00 0.00 C ATOM 478 CD GLU A 31 -32.240 21.600 -0.851 1.00 0.00 C ATOM 479 OE1 GLU A 31 -32.328 22.643 -0.169 1.00 0.00 O ATOM 480 OE2 GLU A 31 -32.627 20.484 -0.447 1.00 0.00 O ATOM 0 H GLU A 31 -30.201 22.937 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.409 24.569 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.435 22.717 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -32.512 22.130 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.576 20.699 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -30.610 22.067 -2.157 1.00 0.00 H new ATOM 487 N ALA A 32 -30.675 24.571 -1.268 1.00 0.00 N ATOM 488 CA ALA A 32 -30.522 25.217 0.030 1.00 0.00 C ATOM 489 C ALA A 32 -30.380 26.727 -0.122 1.00 0.00 C ATOM 490 O ALA A 32 -31.290 27.483 0.216 1.00 0.00 O ATOM 491 CB ALA A 32 -29.322 24.643 0.767 1.00 0.00 C ATOM 0 H ALA A 32 -29.876 24.006 -1.554 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.421 25.020 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.220 25.135 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.465 23.573 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.420 24.810 0.178 1.00 0.00 H new ATOM 497 N GLU A 33 -29.231 27.160 -0.632 1.00 0.00 N ATOM 498 CA GLU A 33 -28.970 28.582 -0.827 1.00 0.00 C ATOM 499 C GLU A 33 -30.099 29.239 -1.615 1.00 0.00 C ATOM 500 O GLU A 33 -30.533 30.346 -1.294 1.00 0.00 O ATOM 501 CB GLU A 33 -27.640 28.784 -1.556 1.00 0.00 C ATOM 502 CG GLU A 33 -26.428 28.711 -0.642 1.00 0.00 C ATOM 503 CD GLU A 33 -25.218 29.420 -1.220 1.00 0.00 C ATOM 504 OE1 GLU A 33 -25.308 29.910 -2.365 1.00 0.00 O ATOM 505 OE2 GLU A 33 -24.182 29.486 -0.526 1.00 0.00 O ATOM 0 H GLU A 33 -28.467 26.547 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 33 -28.913 29.053 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.543 28.027 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.652 29.754 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.678 29.154 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.179 27.666 -0.458 1.00 0.00 H new ATOM 512 N LYS A 34 -30.570 28.551 -2.649 1.00 0.00 N ATOM 513 CA LYS A 34 -31.649 29.065 -3.484 1.00 0.00 C ATOM 514 C LYS A 34 -32.887 29.371 -2.646 1.00 0.00 C ATOM 515 O LYS A 34 -33.324 30.519 -2.564 1.00 0.00 O ATOM 516 CB LYS A 34 -31.999 28.056 -4.580 1.00 0.00 C ATOM 517 CG LYS A 34 -33.271 28.397 -5.336 1.00 0.00 C ATOM 518 CD LYS A 34 -33.650 27.297 -6.313 1.00 0.00 C ATOM 519 CE LYS A 34 -33.088 27.565 -7.701 1.00 0.00 C ATOM 520 NZ LYS A 34 -33.915 26.933 -8.766 1.00 0.00 N ATOM 0 H LYS A 34 -30.221 27.635 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.307 29.991 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -31.171 27.998 -5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -32.106 27.068 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -34.085 28.553 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -33.134 29.334 -5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -33.278 26.340 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -34.736 27.216 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -33.037 28.641 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -32.068 27.185 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -33.499 27.139 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -33.943 25.904 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -34.882 27.314 -8.727 1.00 0.00 H new ATOM 534 N ALA A 35 -33.445 28.338 -2.025 1.00 0.00 N ATOM 535 CA ALA A 35 -34.630 28.498 -1.190 1.00 0.00 C ATOM 536 C ALA A 35 -34.380 29.499 -0.067 1.00 0.00 C ATOM 537 O ALA A 35 -35.319 30.015 0.539 1.00 0.00 O ATOM 538 CB ALA A 35 -35.057 27.154 -0.618 1.00 0.00 C ATOM 0 H ALA A 35 -33.096 27.381 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.435 28.887 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -35.943 27.288 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.286 26.468 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.249 26.742 -0.014 1.00 0.00 H new ATOM 544 N LYS A 36 -33.108 29.768 0.206 1.00 0.00 N ATOM 545 CA LYS A 36 -32.733 30.708 1.256 1.00 0.00 C ATOM 546 C LYS A 36 -32.793 32.145 0.747 1.00 0.00 C ATOM 547 O LYS A 36 -33.457 32.995 1.340 1.00 0.00 O ATOM 548 CB LYS A 36 -31.325 30.396 1.769 1.00 0.00 C ATOM 549 CG LYS A 36 -31.209 30.429 3.283 1.00 0.00 C ATOM 550 CD LYS A 36 -32.035 29.329 3.930 1.00 0.00 C ATOM 551 CE LYS A 36 -31.569 27.950 3.490 1.00 0.00 C ATOM 552 NZ LYS A 36 -32.279 26.865 4.221 1.00 0.00 N ATOM 0 H LYS A 36 -32.319 29.348 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.444 30.601 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.027 29.410 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.625 31.115 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.164 30.318 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.540 31.399 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -31.964 29.409 5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -33.085 29.460 3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -31.735 27.835 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -30.496 27.859 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -31.933 25.941 3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -32.100 26.959 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -33.301 26.936 4.041 1.00 0.00 H new ATOM 566 N ILE A 37 -32.097 32.407 -0.354 1.00 0.00 N ATOM 567 CA ILE A 37 -32.073 33.740 -0.943 1.00 0.00 C ATOM 568 C ILE A 37 -33.413 34.079 -1.588 1.00 0.00 C ATOM 569 O ILE A 37 -33.809 35.244 -1.647 1.00 0.00 O ATOM 570 CB ILE A 37 -30.960 33.870 -1.999 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.077 32.750 -3.035 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.592 33.842 -1.333 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.889 33.222 -4.460 1.00 0.00 C ATOM 0 H ILE A 37 -31.542 31.714 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.875 34.440 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 37 -31.074 34.826 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.335 31.983 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.057 32.281 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.816 33.935 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.513 34.671 -0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.466 32.900 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.985 32.375 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.647 33.967 -4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.899 33.664 -4.569 1.00 0.00 H new ATOM 585 N LEU A 38 -34.108 33.054 -2.069 1.00 0.00 N ATOM 586 CA LEU A 38 -35.405 33.243 -2.709 1.00 0.00 C ATOM 587 C LEU A 38 -36.445 33.723 -1.702 1.00 0.00 C ATOM 588 O LEU A 38 -37.305 34.541 -2.026 1.00 0.00 O ATOM 589 CB LEU A 38 -35.871 31.938 -3.357 1.00 0.00 C ATOM 590 CG LEU A 38 -35.510 31.753 -4.831 1.00 0.00 C ATOM 591 CD1 LEU A 38 -36.204 32.803 -5.685 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.002 31.818 -5.023 1.00 0.00 C ATOM 0 H LEU A 38 -33.795 32.084 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.294 34.005 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.450 31.106 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.955 31.874 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.854 30.769 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.936 32.656 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.284 32.709 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.890 33.797 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.763 31.684 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.634 32.788 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.527 31.029 -4.441 1.00 0.00 H new ATOM 604 N GLU A 39 -36.356 33.211 -0.478 1.00 0.00 N ATOM 605 CA GLU A 39 -37.289 33.590 0.577 1.00 0.00 C ATOM 606 C GLU A 39 -36.759 34.781 1.370 1.00 0.00 C ATOM 607 O GLU A 39 -37.530 35.571 1.916 1.00 0.00 O ATOM 608 CB GLU A 39 -37.538 32.408 1.516 1.00 0.00 C ATOM 609 CG GLU A 39 -38.377 31.304 0.896 1.00 0.00 C ATOM 610 CD GLU A 39 -39.541 30.891 1.776 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.270 31.785 2.254 1.00 0.00 O ATOM 612 OE2 GLU A 39 -39.722 29.673 1.987 1.00 0.00 O ATOM 0 H GLU A 39 -35.648 32.534 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.230 33.878 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -36.579 31.993 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -38.035 32.769 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -38.757 31.640 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -37.745 30.437 0.705 1.00 0.00 H new ATOM 619 N LYS A 40 -35.437 34.904 1.429 1.00 0.00 N ATOM 620 CA LYS A 40 -34.802 35.998 2.154 1.00 0.00 C ATOM 621 C LYS A 40 -34.858 37.291 1.346 1.00 0.00 C ATOM 622 O LYS A 40 -35.216 38.345 1.870 1.00 0.00 O ATOM 623 CB LYS A 40 -33.347 35.647 2.475 1.00 0.00 C ATOM 624 CG LYS A 40 -32.636 36.703 3.304 1.00 0.00 C ATOM 625 CD LYS A 40 -31.938 36.091 4.507 1.00 0.00 C ATOM 626 CE LYS A 40 -30.679 36.862 4.873 1.00 0.00 C ATOM 627 NZ LYS A 40 -29.560 36.573 3.934 1.00 0.00 N ATOM 0 H LYS A 40 -34.785 34.259 0.983 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.347 36.149 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.320 34.698 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.803 35.502 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -31.906 37.223 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.356 37.449 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -32.619 36.080 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -31.681 35.054 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -30.893 37.931 4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -30.377 36.604 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -28.689 37.022 4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -29.417 35.545 3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -29.791 36.950 2.993 1.00 0.00 H new ATOM 641 N ALA A 41 -34.504 37.201 0.069 1.00 0.00 N ATOM 642 CA ALA A 41 -34.517 38.363 -0.811 1.00 0.00 C ATOM 643 C ALA A 41 -35.944 38.819 -1.096 1.00 0.00 C ATOM 644 O ALA A 41 -36.284 39.986 -0.902 1.00 0.00 O ATOM 645 CB ALA A 41 -33.792 38.048 -2.112 1.00 0.00 C ATOM 0 H ALA A 41 -34.205 36.335 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.997 39.177 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.809 38.925 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.759 37.777 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.288 37.217 -2.613 1.00 0.00 H new ATOM 651 N LYS A 42 -36.776 37.891 -1.558 1.00 0.00 N ATOM 652 CA LYS A 42 -38.167 38.197 -1.869 1.00 0.00 C ATOM 653 C LYS A 42 -38.874 38.807 -0.663 1.00 0.00 C ATOM 654 O LYS A 42 -39.815 39.585 -0.812 1.00 0.00 O ATOM 655 CB LYS A 42 -38.901 36.931 -2.318 1.00 0.00 C ATOM 656 CG LYS A 42 -40.290 37.198 -2.873 1.00 0.00 C ATOM 657 CD LYS A 42 -40.598 36.299 -4.058 1.00 0.00 C ATOM 658 CE LYS A 42 -40.655 37.089 -5.357 1.00 0.00 C ATOM 659 NZ LYS A 42 -40.144 36.297 -6.510 1.00 0.00 N ATOM 0 H LYS A 42 -36.510 36.920 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 42 -38.180 38.924 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.306 36.426 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.982 36.249 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -41.032 37.038 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -40.367 38.242 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -39.836 35.524 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -41.551 35.795 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -41.683 37.393 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -40.067 38.001 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -40.199 36.870 -7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -39.155 36.028 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -40.721 35.439 -6.625 1.00 0.00 H new ATOM 673 N GLU A 43 -38.412 38.449 0.531 1.00 0.00 N ATOM 674 CA GLU A 43 -39.000 38.962 1.763 1.00 0.00 C ATOM 675 C GLU A 43 -38.381 40.303 2.144 1.00 0.00 C ATOM 676 O GLU A 43 -39.068 41.323 2.197 1.00 0.00 O ATOM 677 CB GLU A 43 -38.810 37.958 2.902 1.00 0.00 C ATOM 678 CG GLU A 43 -39.290 38.470 4.250 1.00 0.00 C ATOM 679 CD GLU A 43 -40.653 39.129 4.172 1.00 0.00 C ATOM 680 OE1 GLU A 43 -41.659 38.400 4.048 1.00 0.00 O ATOM 681 OE2 GLU A 43 -40.713 40.375 4.236 1.00 0.00 O ATOM 0 H GLU A 43 -37.633 37.806 0.671 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.066 39.109 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.346 37.040 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.753 37.700 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -39.332 37.640 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -38.567 39.185 4.641 1.00 0.00 H new ATOM 688 N GLU A 44 -37.078 40.293 2.409 1.00 0.00 N ATOM 689 CA GLU A 44 -36.366 41.509 2.786 1.00 0.00 C ATOM 690 C GLU A 44 -36.635 42.629 1.785 1.00 0.00 C ATOM 691 O GLU A 44 -36.746 43.796 2.159 1.00 0.00 O ATOM 692 CB GLU A 44 -34.863 41.239 2.875 1.00 0.00 C ATOM 693 CG GLU A 44 -34.201 41.029 1.524 1.00 0.00 C ATOM 694 CD GLU A 44 -32.890 40.274 1.628 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.673 39.603 2.658 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.082 40.354 0.679 1.00 0.00 O ATOM 0 H GLU A 44 -36.495 39.457 2.370 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.729 41.824 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.381 42.076 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.697 40.356 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.881 40.481 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.022 41.997 1.057 1.00 0.00 H new ATOM 703 N ALA A 45 -36.737 42.265 0.511 1.00 0.00 N ATOM 704 CA ALA A 45 -36.993 43.238 -0.543 1.00 0.00 C ATOM 705 C ALA A 45 -38.435 43.732 -0.496 1.00 0.00 C ATOM 706 O ALA A 45 -38.697 44.924 -0.653 1.00 0.00 O ATOM 707 CB ALA A 45 -36.685 42.633 -1.905 1.00 0.00 C ATOM 0 H ALA A 45 -36.646 41.303 0.184 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.338 44.094 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.881 43.371 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.637 42.335 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -37.316 41.759 -2.066 1.00 0.00 H new ATOM 713 N GLU A 46 -39.366 42.808 -0.279 1.00 0.00 N ATOM 714 CA GLU A 46 -40.781 43.152 -0.212 1.00 0.00 C ATOM 715 C GLU A 46 -41.081 43.987 1.029 1.00 0.00 C ATOM 716 O GLU A 46 -41.983 44.825 1.025 1.00 0.00 O ATOM 717 CB GLU A 46 -41.637 41.883 -0.206 1.00 0.00 C ATOM 718 CG GLU A 46 -41.967 41.365 -1.595 1.00 0.00 C ATOM 719 CD GLU A 46 -42.808 42.340 -2.397 1.00 0.00 C ATOM 720 OE1 GLU A 46 -43.501 43.174 -1.777 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.774 42.268 -3.643 1.00 0.00 O ATOM 0 H GLU A 46 -39.166 41.817 -0.147 1.00 0.00 H new ATOM 0 HA GLU A 46 -41.027 43.744 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -41.113 41.104 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -42.566 42.084 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -41.041 41.162 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -42.499 40.418 -1.508 1.00 0.00 H new ATOM 728 N LYS A 47 -40.318 43.752 2.091 1.00 0.00 N ATOM 729 CA LYS A 47 -40.499 44.481 3.341 1.00 0.00 C ATOM 730 C LYS A 47 -39.768 45.819 3.300 1.00 0.00 C ATOM 731 O LYS A 47 -40.345 46.862 3.609 1.00 0.00 O ATOM 732 CB LYS A 47 -39.994 43.647 4.520 1.00 0.00 C ATOM 733 CG LYS A 47 -39.772 44.456 5.786 1.00 0.00 C ATOM 734 CD LYS A 47 -38.326 44.905 5.914 1.00 0.00 C ATOM 735 CE LYS A 47 -38.228 46.397 6.195 1.00 0.00 C ATOM 736 NZ LYS A 47 -36.814 46.861 6.241 1.00 0.00 N ATOM 0 H LYS A 47 -39.567 43.062 2.111 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.564 44.672 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.712 42.854 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -39.058 43.164 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -40.426 45.328 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.046 43.857 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -37.841 44.350 6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -37.789 44.671 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -38.766 46.948 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -38.715 46.620 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -36.790 47.883 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -36.307 46.354 6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -36.356 46.671 5.327 1.00 0.00 H new