USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 18 GLN : amide:sc= -0.413 K(o=-0.41,f=-1.2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -110:sc= -3.26! USER MOD Single : A 28 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 29 ASN : amide:sc= -1.63! C(o=-1.6!,f=-6.9!) USER MOD Single : A 42 SER OG : rot 64:sc= 0.119 USER MOD Single : A 44 THR OG1 : rot -63:sc= 0.523 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -177:sc= -0.331 (180deg=-0.406) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : A 53 SER OG : rot 90:sc= 0.591 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= -1.53! (180deg=-2.36!) USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -0.103 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.869 4.430 1.667 1.00 0.00 N ATOM 175 CA ARG A 14 -7.743 3.021 2.018 1.00 0.00 C ATOM 176 C ARG A 14 -8.483 2.715 3.316 1.00 0.00 C ATOM 177 O ARG A 14 -8.978 3.620 3.988 1.00 0.00 O ATOM 178 CB ARG A 14 -6.269 2.638 2.156 1.00 0.00 C ATOM 179 CG ARG A 14 -5.446 2.921 0.910 1.00 0.00 C ATOM 180 CD ARG A 14 -5.753 1.926 -0.198 1.00 0.00 C ATOM 181 NE ARG A 14 -5.525 2.496 -1.524 1.00 0.00 N ATOM 182 CZ ARG A 14 -6.256 3.480 -2.036 1.00 0.00 C ATOM 183 NH1 ARG A 14 -7.255 4.001 -1.337 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.988 3.946 -3.249 1.00 0.00 N ATOM 0 HA ARG A 14 -8.191 2.432 1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.838 3.182 2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.199 1.577 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.651 3.932 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.385 2.878 1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.131 1.040 -0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.790 1.601 -0.116 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.763 2.118 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.464 3.646 -0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.815 4.756 -1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.220 3.549 -3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.550 4.702 -3.641 1.00 0.00 H new ATOM 198 N ALA A 15 -8.555 1.435 3.663 1.00 0.00 N ATOM 199 CA ALA A 15 -9.234 1.010 4.882 1.00 0.00 C ATOM 200 C ALA A 15 -8.321 1.149 6.095 1.00 0.00 C ATOM 201 O ALA A 15 -7.096 1.077 5.992 1.00 0.00 O ATOM 202 CB ALA A 15 -9.717 -0.426 4.744 1.00 0.00 C ATOM 0 H ALA A 15 -8.152 0.673 3.118 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.097 1.659 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.222 -0.730 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.411 -0.497 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.864 -1.081 4.565 1.00 0.00 H new ATOM 208 N PRO A 16 -8.928 1.353 7.273 1.00 0.00 N ATOM 209 CA PRO A 16 -8.188 1.507 8.529 1.00 0.00 C ATOM 210 C PRO A 16 -7.536 0.204 8.981 1.00 0.00 C ATOM 211 O PRO A 16 -6.613 0.212 9.794 1.00 0.00 O ATOM 212 CB PRO A 16 -9.266 1.938 9.526 1.00 0.00 C ATOM 213 CG PRO A 16 -10.537 1.400 8.965 1.00 0.00 C ATOM 214 CD PRO A 16 -10.384 1.450 7.470 1.00 0.00 C ATOM 0 HA PRO A 16 -7.367 2.218 8.434 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.070 1.535 10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.304 3.023 9.624 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.713 0.379 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.390 1.996 9.290 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.911 0.629 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.785 2.375 7.056 1.00 0.00 H new ATOM 222 N GLU A 17 -8.021 -0.912 8.446 1.00 0.00 N ATOM 223 CA GLU A 17 -7.485 -2.222 8.796 1.00 0.00 C ATOM 224 C GLU A 17 -6.344 -2.610 7.859 1.00 0.00 C ATOM 225 O GLU A 17 -5.383 -3.259 8.271 1.00 0.00 O ATOM 226 CB GLU A 17 -8.588 -3.281 8.740 1.00 0.00 C ATOM 227 CG GLU A 17 -9.561 -3.208 9.904 1.00 0.00 C ATOM 228 CD GLU A 17 -8.866 -3.282 11.250 1.00 0.00 C ATOM 229 OE1 GLU A 17 -8.073 -4.225 11.458 1.00 0.00 O ATOM 230 OE2 GLU A 17 -9.115 -2.398 12.096 1.00 0.00 O ATOM 0 H GLU A 17 -8.784 -0.935 7.769 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.096 -2.167 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.141 -3.169 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.130 -4.270 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.127 -2.279 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.279 -4.024 9.824 1.00 0.00 H new ATOM 237 N GLN A 18 -6.459 -2.207 6.598 1.00 0.00 N ATOM 238 CA GLN A 18 -5.438 -2.513 5.603 1.00 0.00 C ATOM 239 C GLN A 18 -4.173 -1.698 5.851 1.00 0.00 C ATOM 240 O GLN A 18 -3.077 -2.250 5.954 1.00 0.00 O ATOM 241 CB GLN A 18 -5.969 -2.237 4.195 1.00 0.00 C ATOM 242 CG GLN A 18 -7.153 -3.108 3.809 1.00 0.00 C ATOM 243 CD GLN A 18 -7.732 -2.741 2.457 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.892 -2.341 2.353 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.924 -2.875 1.411 1.00 0.00 N ATOM 0 H GLN A 18 -7.248 -1.668 6.241 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.189 -3.571 5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.261 -1.189 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.165 -2.392 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.841 -4.152 3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.929 -3.017 4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.970 -3.210 1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.258 -2.643 0.476 1.00 0.00 H new ATOM 254 N LEU A 19 -4.332 -0.383 5.946 1.00 0.00 N ATOM 255 CA LEU A 19 -3.203 0.510 6.183 1.00 0.00 C ATOM 256 C LEU A 19 -2.353 0.015 7.349 1.00 0.00 C ATOM 257 O LEU A 19 -1.130 -0.082 7.242 1.00 0.00 O ATOM 258 CB LEU A 19 -3.699 1.929 6.465 1.00 0.00 C ATOM 259 CG LEU A 19 -4.097 2.756 5.241 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.632 4.114 5.667 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.914 2.917 4.299 1.00 0.00 C ATOM 0 H LEU A 19 -5.232 0.089 5.863 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.585 0.520 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.559 1.866 7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.917 2.466 7.003 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.888 2.227 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.910 4.689 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.508 3.977 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.862 4.651 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.215 3.508 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.101 3.424 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.576 1.935 3.968 1.00 0.00 H new ATOM 273 N ARG A 20 -3.009 -0.299 8.461 1.00 0.00 N ATOM 274 CA ARG A 20 -2.314 -0.785 9.647 1.00 0.00 C ATOM 275 C ARG A 20 -1.217 -1.775 9.267 1.00 0.00 C ATOM 276 O ARG A 20 -0.162 -1.821 9.899 1.00 0.00 O ATOM 277 CB ARG A 20 -3.302 -1.447 10.609 1.00 0.00 C ATOM 278 CG ARG A 20 -2.640 -2.086 11.819 1.00 0.00 C ATOM 279 CD ARG A 20 -3.657 -2.791 12.702 1.00 0.00 C ATOM 280 NE ARG A 20 -3.066 -3.252 13.956 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.611 -4.189 14.724 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.753 -4.761 14.368 1.00 0.00 N ATOM 283 NH2 ARG A 20 -3.013 -4.556 15.850 1.00 0.00 N ATOM 0 H ARG A 20 -4.021 -0.226 8.566 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.853 0.070 10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.019 -0.700 10.950 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.866 -2.208 10.070 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.886 -2.801 11.488 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.122 -1.321 12.398 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.482 -2.112 12.918 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.076 -3.642 12.164 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.187 -2.832 14.258 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.215 -4.482 13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.169 -5.480 14.959 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.134 -4.119 16.127 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.432 -5.276 16.439 1.00 0.00 H new ATOM 297 N ALA A 21 -1.475 -2.566 8.231 1.00 0.00 N ATOM 298 CA ALA A 21 -0.509 -3.554 7.765 1.00 0.00 C ATOM 299 C ALA A 21 0.520 -2.921 6.836 1.00 0.00 C ATOM 300 O ALA A 21 1.711 -3.225 6.912 1.00 0.00 O ATOM 301 CB ALA A 21 -1.223 -4.699 7.063 1.00 0.00 C ATOM 0 H ALA A 21 -2.345 -2.542 7.698 1.00 0.00 H new ATOM 0 HA ALA A 21 0.019 -3.947 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.490 -5.429 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.914 -5.177 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.777 -4.312 6.208 1.00 0.00 H new ATOM 307 N LEU A 22 0.054 -2.038 5.959 1.00 0.00 N ATOM 308 CA LEU A 22 0.935 -1.362 5.013 1.00 0.00 C ATOM 309 C LEU A 22 1.864 -0.390 5.734 1.00 0.00 C ATOM 310 O LEU A 22 3.084 -0.543 5.700 1.00 0.00 O ATOM 311 CB LEU A 22 0.111 -0.614 3.963 1.00 0.00 C ATOM 312 CG LEU A 22 -0.841 -1.468 3.124 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.831 -0.587 2.378 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.059 -2.338 2.151 1.00 0.00 C ATOM 0 H LEU A 22 -0.928 -1.774 5.883 1.00 0.00 H new ATOM 0 HA LEU A 22 1.544 -2.118 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.473 0.155 4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.797 -0.102 3.289 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.401 -2.120 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.500 -1.212 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.414 -0.008 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.289 0.091 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.752 -2.939 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.527 -1.704 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.609 -2.996 2.707 1.00 0.00 H new ATOM 326 N GLU A 23 1.277 0.609 6.386 1.00 0.00 N ATOM 327 CA GLU A 23 2.053 1.604 7.116 1.00 0.00 C ATOM 328 C GLU A 23 3.169 0.943 7.918 1.00 0.00 C ATOM 329 O GLU A 23 4.325 1.360 7.855 1.00 0.00 O ATOM 330 CB GLU A 23 1.144 2.406 8.051 1.00 0.00 C ATOM 331 CG GLU A 23 0.115 3.253 7.321 1.00 0.00 C ATOM 332 CD GLU A 23 0.658 4.609 6.915 1.00 0.00 C ATOM 333 OE1 GLU A 23 1.401 4.674 5.913 1.00 0.00 O ATOM 334 OE2 GLU A 23 0.339 5.605 7.598 1.00 0.00 O ATOM 0 H GLU A 23 0.268 0.750 6.423 1.00 0.00 H new ATOM 0 HA GLU A 23 2.503 2.280 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.627 1.718 8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.760 3.054 8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.224 2.721 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.756 3.391 7.961 1.00 0.00 H new ATOM 341 N SER A 24 2.814 -0.092 8.674 1.00 0.00 N ATOM 342 CA SER A 24 3.785 -0.809 9.492 1.00 0.00 C ATOM 343 C SER A 24 4.900 -1.390 8.629 1.00 0.00 C ATOM 344 O SER A 24 6.071 -1.366 9.009 1.00 0.00 O ATOM 345 CB SER A 24 3.095 -1.929 10.275 1.00 0.00 C ATOM 346 OG SER A 24 3.922 -2.402 11.323 1.00 0.00 O ATOM 0 H SER A 24 1.862 -0.452 8.737 1.00 0.00 H new ATOM 0 HA SER A 24 4.225 -0.101 10.194 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.154 -1.563 10.687 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.850 -2.750 9.602 1.00 0.00 H new ATOM 0 HG SER A 24 3.458 -3.116 11.809 1.00 0.00 H new ATOM 352 N SER A 25 4.528 -1.912 7.464 1.00 0.00 N ATOM 353 CA SER A 25 5.496 -2.503 6.547 1.00 0.00 C ATOM 354 C SER A 25 6.403 -1.431 5.950 1.00 0.00 C ATOM 355 O SER A 25 7.590 -1.664 5.720 1.00 0.00 O ATOM 356 CB SER A 25 4.775 -3.258 5.429 1.00 0.00 C ATOM 357 OG SER A 25 5.691 -3.713 4.448 1.00 0.00 O ATOM 0 H SER A 25 3.564 -1.938 7.133 1.00 0.00 H new ATOM 0 HA SER A 25 6.113 -3.204 7.110 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.235 -4.107 5.849 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.034 -2.607 4.965 1.00 0.00 H new ATOM 0 HG SER A 25 5.563 -3.204 3.620 1.00 0.00 H new ATOM 363 N PHE A 26 5.835 -0.255 5.702 1.00 0.00 N ATOM 364 CA PHE A 26 6.591 0.853 5.131 1.00 0.00 C ATOM 365 C PHE A 26 7.855 1.124 5.942 1.00 0.00 C ATOM 366 O PHE A 26 8.934 1.318 5.383 1.00 0.00 O ATOM 367 CB PHE A 26 5.726 2.114 5.077 1.00 0.00 C ATOM 368 CG PHE A 26 6.379 3.258 4.356 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.853 3.100 3.063 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.518 4.492 4.970 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.455 4.151 2.398 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.118 5.548 4.309 1.00 0.00 C ATOM 373 CZ PHE A 26 7.587 5.377 3.021 1.00 0.00 C ATOM 0 H PHE A 26 4.854 -0.045 5.888 1.00 0.00 H new ATOM 0 HA PHE A 26 6.883 0.577 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.782 1.877 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.487 2.425 6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.751 2.145 2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.153 4.631 5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.822 4.014 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.220 6.505 4.799 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.056 6.200 2.502 1.00 0.00 H new ATOM 383 N ALA A 27 7.712 1.137 7.263 1.00 0.00 N ATOM 384 CA ALA A 27 8.841 1.383 8.151 1.00 0.00 C ATOM 385 C ALA A 27 10.045 0.533 7.757 1.00 0.00 C ATOM 386 O ALA A 27 11.181 1.004 7.779 1.00 0.00 O ATOM 387 CB ALA A 27 8.447 1.106 9.595 1.00 0.00 C ATOM 0 H ALA A 27 6.825 0.980 7.742 1.00 0.00 H new ATOM 0 HA ALA A 27 9.123 2.432 8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.300 1.294 10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.622 1.760 9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.136 0.066 9.694 1.00 0.00 H new ATOM 393 N GLN A 28 9.786 -0.720 7.399 1.00 0.00 N ATOM 394 CA GLN A 28 10.850 -1.635 7.002 1.00 0.00 C ATOM 395 C GLN A 28 11.463 -1.213 5.671 1.00 0.00 C ATOM 396 O GLN A 28 12.675 -1.033 5.564 1.00 0.00 O ATOM 397 CB GLN A 28 10.311 -3.063 6.898 1.00 0.00 C ATOM 398 CG GLN A 28 9.876 -3.648 8.232 1.00 0.00 C ATOM 399 CD GLN A 28 11.022 -3.770 9.217 1.00 0.00 C ATOM 400 OE1 GLN A 28 12.024 -4.431 8.943 1.00 0.00 O ATOM 401 NE2 GLN A 28 10.881 -3.131 10.373 1.00 0.00 N ATOM 0 H GLN A 28 8.850 -1.125 7.376 1.00 0.00 H new ATOM 0 HA GLN A 28 11.627 -1.602 7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.464 -3.074 6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.080 -3.702 6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.097 -3.020 8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.437 -4.632 8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.034 -2.594 10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.620 -3.177 11.075 1.00 0.00 H new ATOM 410 N ASN A 29 10.616 -1.057 4.658 1.00 0.00 N ATOM 411 CA ASN A 29 11.075 -0.656 3.333 1.00 0.00 C ATOM 412 C ASN A 29 9.947 -0.001 2.541 1.00 0.00 C ATOM 413 O ASN A 29 8.784 -0.394 2.630 1.00 0.00 O ATOM 414 CB ASN A 29 11.613 -1.868 2.569 1.00 0.00 C ATOM 415 CG ASN A 29 10.751 -3.101 2.759 1.00 0.00 C ATOM 416 OD1 ASN A 29 9.775 -3.080 3.509 1.00 0.00 O ATOM 417 ND2 ASN A 29 11.108 -4.183 2.078 1.00 0.00 N ATOM 0 H ASN A 29 9.609 -1.202 4.730 1.00 0.00 H new ATOM 0 HA ASN A 29 11.877 0.072 3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.670 -1.628 1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.628 -2.083 2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.566 -5.042 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.925 -4.155 1.468 1.00 0.00 H new ATOM 424 N PRO A 30 10.297 1.022 1.748 1.00 0.00 N ATOM 425 CA PRO A 30 9.329 1.752 0.924 1.00 0.00 C ATOM 426 C PRO A 30 8.799 0.910 -0.231 1.00 0.00 C ATOM 427 O PRO A 30 7.612 0.964 -0.558 1.00 0.00 O ATOM 428 CB PRO A 30 10.139 2.938 0.393 1.00 0.00 C ATOM 429 CG PRO A 30 11.553 2.471 0.415 1.00 0.00 C ATOM 430 CD PRO A 30 11.665 1.544 1.593 1.00 0.00 C ATOM 0 HA PRO A 30 8.446 2.041 1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.828 3.210 -0.615 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.004 3.821 1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.809 1.957 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.240 3.312 0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.382 0.744 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.998 2.070 2.488 1.00 0.00 H new ATOM 438 N LEU A 31 9.683 0.132 -0.845 1.00 0.00 N ATOM 439 CA LEU A 31 9.303 -0.723 -1.964 1.00 0.00 C ATOM 440 C LEU A 31 9.716 -2.170 -1.709 1.00 0.00 C ATOM 441 O LEU A 31 10.752 -2.638 -2.181 1.00 0.00 O ATOM 442 CB LEU A 31 9.945 -0.219 -3.258 1.00 0.00 C ATOM 443 CG LEU A 31 9.334 1.047 -3.860 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.000 1.383 -5.185 1.00 0.00 C ATOM 445 CD2 LEU A 31 7.832 0.879 -4.044 1.00 0.00 C ATOM 0 H LEU A 31 10.668 0.075 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 31 8.218 -0.686 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.002 -0.033 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.890 -1.014 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 31 9.506 1.873 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.552 2.287 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.066 1.546 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.860 0.557 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.414 1.789 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.639 0.040 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.366 0.687 -3.077 1.00 0.00 H new ATOM 457 N PRO A 32 8.886 -2.896 -0.946 1.00 0.00 N ATOM 458 CA PRO A 32 9.143 -4.301 -0.613 1.00 0.00 C ATOM 459 C PRO A 32 8.994 -5.219 -1.822 1.00 0.00 C ATOM 460 O PRO A 32 8.215 -4.940 -2.734 1.00 0.00 O ATOM 461 CB PRO A 32 8.073 -4.618 0.435 1.00 0.00 C ATOM 462 CG PRO A 32 6.971 -3.655 0.155 1.00 0.00 C ATOM 463 CD PRO A 32 7.633 -2.403 -0.350 1.00 0.00 C ATOM 0 HA PRO A 32 10.163 -4.457 -0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.729 -5.649 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.460 -4.493 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.280 -4.057 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.391 -3.454 1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.013 -1.889 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.823 -1.695 0.457 1.00 0.00 H new ATOM 471 N LEU A 33 9.745 -6.315 -1.822 1.00 0.00 N ATOM 472 CA LEU A 33 9.696 -7.276 -2.918 1.00 0.00 C ATOM 473 C LEU A 33 8.444 -8.142 -2.828 1.00 0.00 C ATOM 474 O LEU A 33 7.617 -7.964 -1.933 1.00 0.00 O ATOM 475 CB LEU A 33 10.944 -8.160 -2.904 1.00 0.00 C ATOM 476 CG LEU A 33 12.263 -7.465 -3.243 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.440 -8.383 -2.953 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.274 -7.024 -4.699 1.00 0.00 C ATOM 0 H LEU A 33 10.395 -6.560 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 33 9.663 -6.720 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.036 -8.608 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.794 -8.976 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 33 12.357 -6.579 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.370 -7.871 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.442 -8.649 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.353 -9.288 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.220 -6.531 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.157 -7.895 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.453 -6.329 -4.875 1.00 0.00 H new ATOM 490 N ASP A 34 8.312 -9.081 -3.758 1.00 0.00 N ATOM 491 CA ASP A 34 7.162 -9.978 -3.782 1.00 0.00 C ATOM 492 C ASP A 34 7.031 -10.728 -2.460 1.00 0.00 C ATOM 493 O ASP A 34 5.940 -10.832 -1.901 1.00 0.00 O ATOM 494 CB ASP A 34 7.289 -10.973 -4.937 1.00 0.00 C ATOM 495 CG ASP A 34 8.731 -11.323 -5.245 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.329 -12.107 -4.478 1.00 0.00 O ATOM 497 OD2 ASP A 34 9.263 -10.813 -6.253 1.00 0.00 O ATOM 0 H ASP A 34 8.987 -9.241 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 34 6.265 -9.376 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.742 -11.883 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.822 -10.552 -5.828 1.00 0.00 H new ATOM 502 N GLU A 35 8.150 -11.249 -1.967 1.00 0.00 N ATOM 503 CA GLU A 35 8.159 -11.992 -0.712 1.00 0.00 C ATOM 504 C GLU A 35 7.461 -11.202 0.391 1.00 0.00 C ATOM 505 O GLU A 35 6.388 -11.584 0.857 1.00 0.00 O ATOM 506 CB GLU A 35 9.595 -12.313 -0.294 1.00 0.00 C ATOM 507 CG GLU A 35 10.371 -13.099 -1.337 1.00 0.00 C ATOM 508 CD GLU A 35 11.534 -13.869 -0.742 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.198 -13.332 0.170 1.00 0.00 O ATOM 510 OE2 GLU A 35 11.780 -15.009 -1.188 1.00 0.00 O ATOM 0 H GLU A 35 9.062 -11.170 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 35 7.617 -12.925 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.121 -11.381 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.575 -12.881 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.698 -13.795 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.745 -12.414 -2.098 1.00 0.00 H new ATOM 517 N GLU A 36 8.079 -10.100 0.804 1.00 0.00 N ATOM 518 CA GLU A 36 7.517 -9.257 1.854 1.00 0.00 C ATOM 519 C GLU A 36 6.088 -8.845 1.514 1.00 0.00 C ATOM 520 O GLU A 36 5.274 -8.592 2.404 1.00 0.00 O ATOM 521 CB GLU A 36 8.384 -8.013 2.058 1.00 0.00 C ATOM 522 CG GLU A 36 7.747 -6.969 2.959 1.00 0.00 C ATOM 523 CD GLU A 36 7.451 -7.499 4.348 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.244 -8.321 4.852 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.425 -7.091 4.932 1.00 0.00 O ATOM 0 H GLU A 36 8.968 -9.770 0.428 1.00 0.00 H new ATOM 0 HA GLU A 36 7.500 -9.834 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.341 -8.313 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.594 -7.564 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.411 -6.108 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.821 -6.618 2.503 1.00 0.00 H new ATOM 532 N LEU A 37 5.789 -8.778 0.222 1.00 0.00 N ATOM 533 CA LEU A 37 4.459 -8.396 -0.237 1.00 0.00 C ATOM 534 C LEU A 37 3.459 -9.525 -0.010 1.00 0.00 C ATOM 535 O LEU A 37 2.301 -9.283 0.333 1.00 0.00 O ATOM 536 CB LEU A 37 4.496 -8.024 -1.721 1.00 0.00 C ATOM 537 CG LEU A 37 5.115 -6.666 -2.057 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.512 -6.609 -3.524 1.00 0.00 C ATOM 539 CD2 LEU A 37 4.147 -5.542 -1.720 1.00 0.00 C ATOM 0 H LEU A 37 6.450 -8.983 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 37 4.138 -7.529 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.050 -8.796 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.476 -8.041 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 37 6.014 -6.538 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.950 -5.636 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.241 -7.392 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.629 -6.759 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.603 -4.583 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.231 -5.666 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.912 -5.571 -0.656 1.00 0.00 H new ATOM 551 N ASP A 38 3.914 -10.758 -0.201 1.00 0.00 N ATOM 552 CA ASP A 38 3.060 -11.926 -0.013 1.00 0.00 C ATOM 553 C ASP A 38 2.457 -11.938 1.388 1.00 0.00 C ATOM 554 O ASP A 38 1.325 -12.380 1.583 1.00 0.00 O ATOM 555 CB ASP A 38 3.857 -13.210 -0.251 1.00 0.00 C ATOM 556 CG ASP A 38 2.962 -14.414 -0.470 1.00 0.00 C ATOM 557 OD1 ASP A 38 1.793 -14.371 -0.033 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.431 -15.399 -1.077 1.00 0.00 O ATOM 0 H ASP A 38 4.869 -10.975 -0.486 1.00 0.00 H new ATOM 0 HA ASP A 38 2.248 -11.873 -0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.503 -13.078 -1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.507 -13.395 0.604 1.00 0.00 H new ATOM 563 N ARG A 39 3.222 -11.452 2.360 1.00 0.00 N ATOM 564 CA ARG A 39 2.763 -11.409 3.743 1.00 0.00 C ATOM 565 C ARG A 39 1.672 -10.358 3.923 1.00 0.00 C ATOM 566 O ARG A 39 0.576 -10.660 4.398 1.00 0.00 O ATOM 567 CB ARG A 39 3.934 -11.110 4.682 1.00 0.00 C ATOM 568 CG ARG A 39 3.664 -11.482 6.130 1.00 0.00 C ATOM 569 CD ARG A 39 3.413 -12.973 6.285 1.00 0.00 C ATOM 570 NE ARG A 39 3.585 -13.417 7.666 1.00 0.00 N ATOM 571 CZ ARG A 39 3.787 -14.684 8.012 1.00 0.00 C ATOM 572 NH1 ARG A 39 3.843 -15.627 7.082 1.00 0.00 N ATOM 573 NH2 ARG A 39 3.935 -15.009 9.290 1.00 0.00 N ATOM 0 H ARG A 39 4.162 -11.083 2.215 1.00 0.00 H new ATOM 0 HA ARG A 39 2.346 -12.385 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.814 -11.651 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.171 -10.047 4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.514 -11.189 6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.800 -10.927 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.402 -13.207 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.096 -13.525 5.639 1.00 0.00 H new ATOM 0 HE ARG A 39 3.548 -12.716 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.731 -15.381 6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.998 -16.599 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.894 -14.286 10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.090 -15.982 9.554 1.00 0.00 H new ATOM 587 N LEU A 40 1.978 -9.124 3.540 1.00 0.00 N ATOM 588 CA LEU A 40 1.024 -8.027 3.658 1.00 0.00 C ATOM 589 C LEU A 40 -0.257 -8.334 2.889 1.00 0.00 C ATOM 590 O LEU A 40 -1.358 -8.045 3.357 1.00 0.00 O ATOM 591 CB LEU A 40 1.644 -6.727 3.142 1.00 0.00 C ATOM 592 CG LEU A 40 2.759 -6.128 4.000 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.506 -5.051 3.229 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.190 -5.563 5.294 1.00 0.00 C ATOM 0 H LEU A 40 2.880 -8.858 3.145 1.00 0.00 H new ATOM 0 HA LEU A 40 0.773 -7.909 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.040 -6.908 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.852 -5.985 3.042 1.00 0.00 H new ATOM 0 HG LEU A 40 3.464 -6.920 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.296 -4.636 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.946 -5.485 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.813 -4.258 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.997 -5.141 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.464 -4.784 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.701 -6.360 5.855 1.00 0.00 H new ATOM 606 N ARG A 41 -0.104 -8.922 1.707 1.00 0.00 N ATOM 607 CA ARG A 41 -1.248 -9.269 0.873 1.00 0.00 C ATOM 608 C ARG A 41 -2.254 -10.111 1.652 1.00 0.00 C ATOM 609 O ARG A 41 -3.453 -10.076 1.378 1.00 0.00 O ATOM 610 CB ARG A 41 -0.787 -10.029 -0.372 1.00 0.00 C ATOM 611 CG ARG A 41 -0.432 -9.124 -1.541 1.00 0.00 C ATOM 612 CD ARG A 41 -0.115 -9.929 -2.792 1.00 0.00 C ATOM 613 NE ARG A 41 -1.238 -10.767 -3.203 1.00 0.00 N ATOM 614 CZ ARG A 41 -1.470 -11.979 -2.710 1.00 0.00 C ATOM 615 NH1 ARG A 41 -0.661 -12.490 -1.792 1.00 0.00 N ATOM 616 NH2 ARG A 41 -2.513 -12.680 -3.135 1.00 0.00 N ATOM 0 H ARG A 41 0.801 -9.168 1.306 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.735 -8.344 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.082 -10.636 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.575 -10.715 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.262 -8.447 -1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.427 -8.506 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.146 -9.250 -3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.757 -10.556 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.879 -10.402 -3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.141 -11.953 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.841 -13.420 -1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.137 -12.289 -3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.691 -13.610 -2.756 1.00 0.00 H new ATOM 630 N SER A 42 -1.756 -10.868 2.625 1.00 0.00 N ATOM 631 CA SER A 42 -2.610 -11.723 3.441 1.00 0.00 C ATOM 632 C SER A 42 -3.513 -10.886 4.343 1.00 0.00 C ATOM 633 O SER A 42 -4.642 -11.275 4.640 1.00 0.00 O ATOM 634 CB SER A 42 -1.758 -12.669 4.290 1.00 0.00 C ATOM 635 OG SER A 42 -0.929 -13.479 3.475 1.00 0.00 O ATOM 0 H SER A 42 -0.766 -10.906 2.867 1.00 0.00 H new ATOM 0 HA SER A 42 -3.238 -12.312 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.142 -12.090 4.978 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.406 -13.301 4.897 1.00 0.00 H new ATOM 0 HG SER A 42 -0.295 -12.912 2.988 1.00 0.00 H new ATOM 641 N GLU A 43 -3.005 -9.735 4.774 1.00 0.00 N ATOM 642 CA GLU A 43 -3.766 -8.844 5.643 1.00 0.00 C ATOM 643 C GLU A 43 -4.550 -7.824 4.823 1.00 0.00 C ATOM 644 O GLU A 43 -5.767 -7.698 4.966 1.00 0.00 O ATOM 645 CB GLU A 43 -2.830 -8.122 6.614 1.00 0.00 C ATOM 646 CG GLU A 43 -1.807 -9.036 7.267 1.00 0.00 C ATOM 647 CD GLU A 43 -1.360 -8.535 8.626 1.00 0.00 C ATOM 648 OE1 GLU A 43 -0.451 -7.679 8.675 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.919 -8.999 9.643 1.00 0.00 O ATOM 0 H GLU A 43 -2.072 -9.398 4.536 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.473 -9.448 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.307 -7.329 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.426 -7.643 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.233 -10.034 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.939 -9.128 6.614 1.00 0.00 H new ATOM 656 N THR A 44 -3.845 -7.097 3.962 1.00 0.00 N ATOM 657 CA THR A 44 -4.473 -6.087 3.120 1.00 0.00 C ATOM 658 C THR A 44 -5.417 -6.725 2.107 1.00 0.00 C ATOM 659 O THR A 44 -6.343 -6.081 1.614 1.00 0.00 O ATOM 660 CB THR A 44 -3.422 -5.249 2.368 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.632 -6.095 1.526 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.519 -4.511 3.345 1.00 0.00 C ATOM 0 H THR A 44 -2.838 -7.189 3.830 1.00 0.00 H new ATOM 0 HA THR A 44 -5.042 -5.434 3.782 1.00 0.00 H new ATOM 0 HB THR A 44 -3.945 -4.515 1.756 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.140 -6.738 2.078 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.785 -3.926 2.791 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.120 -3.846 3.965 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.004 -5.232 3.980 1.00 0.00 H new ATOM 670 N LYS A 45 -5.176 -7.995 1.800 1.00 0.00 N ATOM 671 CA LYS A 45 -6.005 -8.723 0.847 1.00 0.00 C ATOM 672 C LYS A 45 -6.051 -8.002 -0.497 1.00 0.00 C ATOM 673 O LYS A 45 -7.096 -7.939 -1.143 1.00 0.00 O ATOM 674 CB LYS A 45 -7.424 -8.889 1.396 1.00 0.00 C ATOM 675 CG LYS A 45 -7.487 -9.694 2.682 1.00 0.00 C ATOM 676 CD LYS A 45 -7.170 -11.160 2.439 1.00 0.00 C ATOM 677 CE LYS A 45 -8.324 -11.874 1.752 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.951 -13.251 1.327 1.00 0.00 N ATOM 0 H LYS A 45 -4.412 -8.542 2.198 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.562 -9.707 0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.854 -7.903 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.042 -9.376 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.781 -9.283 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.481 -9.604 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.273 -11.242 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.952 -11.648 3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.176 -11.922 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.640 -11.299 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.764 -13.703 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.154 -13.205 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.674 -13.808 2.160 1.00 0.00 H new ATOM 692 N MET A 46 -4.910 -7.459 -0.911 1.00 0.00 N ATOM 693 CA MET A 46 -4.820 -6.745 -2.179 1.00 0.00 C ATOM 694 C MET A 46 -3.821 -7.420 -3.113 1.00 0.00 C ATOM 695 O MET A 46 -3.269 -8.473 -2.793 1.00 0.00 O ATOM 696 CB MET A 46 -4.411 -5.290 -1.941 1.00 0.00 C ATOM 697 CG MET A 46 -5.343 -4.542 -1.001 1.00 0.00 C ATOM 698 SD MET A 46 -5.356 -2.765 -1.305 1.00 0.00 S ATOM 699 CE MET A 46 -3.600 -2.412 -1.328 1.00 0.00 C ATOM 0 H MET A 46 -4.036 -7.500 -0.387 1.00 0.00 H new ATOM 0 HA MET A 46 -5.803 -6.766 -2.650 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.401 -5.268 -1.532 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.379 -4.769 -2.898 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.354 -4.933 -1.111 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.040 -4.728 0.029 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.446 -1.340 -1.453 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.151 -2.736 -0.389 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.133 -2.945 -2.156 1.00 0.00 H new ATOM 709 N THR A 47 -3.593 -6.807 -4.271 1.00 0.00 N ATOM 710 CA THR A 47 -2.663 -7.350 -5.253 1.00 0.00 C ATOM 711 C THR A 47 -1.397 -6.504 -5.336 1.00 0.00 C ATOM 712 O THR A 47 -1.382 -5.349 -4.911 1.00 0.00 O ATOM 713 CB THR A 47 -3.305 -7.432 -6.650 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.650 -6.120 -7.109 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.547 -8.309 -6.624 1.00 0.00 C ATOM 0 H THR A 47 -4.040 -5.934 -4.551 1.00 0.00 H new ATOM 0 HA THR A 47 -2.404 -8.356 -4.922 1.00 0.00 H new ATOM 0 HB THR A 47 -2.581 -7.876 -7.333 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.056 -6.181 -7.999 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.983 -8.352 -7.622 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.276 -9.315 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.274 -7.890 -5.928 1.00 0.00 H new ATOM 723 N ARG A 48 -0.337 -7.087 -5.887 1.00 0.00 N ATOM 724 CA ARG A 48 0.934 -6.386 -6.026 1.00 0.00 C ATOM 725 C ARG A 48 0.736 -5.026 -6.690 1.00 0.00 C ATOM 726 O ARG A 48 1.467 -4.076 -6.411 1.00 0.00 O ATOM 727 CB ARG A 48 1.917 -7.226 -6.843 1.00 0.00 C ATOM 728 CG ARG A 48 2.768 -8.161 -5.998 1.00 0.00 C ATOM 729 CD ARG A 48 1.980 -9.384 -5.556 1.00 0.00 C ATOM 730 NE ARG A 48 2.061 -10.469 -6.529 1.00 0.00 N ATOM 731 CZ ARG A 48 1.381 -11.605 -6.423 1.00 0.00 C ATOM 732 NH1 ARG A 48 0.572 -11.802 -5.391 1.00 0.00 N ATOM 733 NH2 ARG A 48 1.508 -12.546 -7.350 1.00 0.00 N ATOM 0 H ARG A 48 -0.333 -8.042 -6.244 1.00 0.00 H new ATOM 0 HA ARG A 48 1.343 -6.227 -5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.360 -7.815 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.572 -6.560 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.641 -8.476 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.136 -7.628 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.358 -9.731 -4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.936 -9.108 -5.407 1.00 0.00 H new ATOM 0 HE ARG A 48 2.674 -10.348 -7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.471 -11.081 -4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.051 -12.675 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.129 -12.398 -8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.985 -13.418 -7.267 1.00 0.00 H new ATOM 747 N ARG A 49 -0.257 -4.942 -7.569 1.00 0.00 N ATOM 748 CA ARG A 49 -0.550 -3.700 -8.274 1.00 0.00 C ATOM 749 C ARG A 49 -1.235 -2.699 -7.349 1.00 0.00 C ATOM 750 O ARG A 49 -0.924 -1.508 -7.368 1.00 0.00 O ATOM 751 CB ARG A 49 -1.437 -3.976 -9.490 1.00 0.00 C ATOM 752 CG ARG A 49 -2.071 -2.726 -10.077 1.00 0.00 C ATOM 753 CD ARG A 49 -1.076 -1.938 -10.915 1.00 0.00 C ATOM 754 NE ARG A 49 -1.437 -0.526 -11.009 1.00 0.00 N ATOM 755 CZ ARG A 49 -0.682 0.388 -11.609 1.00 0.00 C ATOM 756 NH1 ARG A 49 0.470 0.039 -12.165 1.00 0.00 N ATOM 757 NH2 ARG A 49 -1.079 1.653 -11.653 1.00 0.00 N ATOM 0 H ARG A 49 -0.872 -5.719 -7.810 1.00 0.00 H new ATOM 0 HA ARG A 49 0.394 -3.271 -8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.841 -4.467 -10.260 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.225 -4.673 -9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.926 -3.005 -10.692 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.450 -2.096 -9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.082 -2.030 -10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.025 -2.367 -11.916 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.317 -0.225 -10.591 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.778 -0.933 -12.133 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.048 0.742 -12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.965 1.925 -11.226 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.499 2.354 -12.114 1.00 0.00 H new ATOM 771 N GLU A 50 -2.169 -3.190 -6.540 1.00 0.00 N ATOM 772 CA GLU A 50 -2.898 -2.337 -5.609 1.00 0.00 C ATOM 773 C GLU A 50 -2.007 -1.918 -4.443 1.00 0.00 C ATOM 774 O GLU A 50 -2.195 -0.851 -3.857 1.00 0.00 O ATOM 775 CB GLU A 50 -4.138 -3.063 -5.082 1.00 0.00 C ATOM 776 CG GLU A 50 -5.301 -3.069 -6.059 1.00 0.00 C ATOM 777 CD GLU A 50 -5.930 -1.700 -6.226 1.00 0.00 C ATOM 778 OE1 GLU A 50 -6.222 -1.051 -5.200 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.131 -1.277 -7.384 1.00 0.00 O ATOM 0 H GLU A 50 -2.438 -4.173 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.210 -1.441 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.871 -4.092 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.457 -2.591 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.954 -3.426 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.058 -3.773 -5.713 1.00 0.00 H new ATOM 786 N ILE A 51 -1.038 -2.764 -4.113 1.00 0.00 N ATOM 787 CA ILE A 51 -0.117 -2.482 -3.018 1.00 0.00 C ATOM 788 C ILE A 51 1.016 -1.569 -3.475 1.00 0.00 C ATOM 789 O ILE A 51 1.273 -0.530 -2.867 1.00 0.00 O ATOM 790 CB ILE A 51 0.482 -3.776 -2.438 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.614 -4.629 -1.797 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.568 -3.449 -1.424 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.098 -5.908 -1.174 1.00 0.00 C ATOM 0 H ILE A 51 -0.870 -3.651 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.694 -1.980 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 51 0.931 -4.347 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.120 -4.040 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.359 -4.877 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.982 -4.374 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.359 -2.878 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.142 -2.860 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.930 -6.462 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.383 -6.517 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.625 -5.667 -0.395 1.00 0.00 H new ATOM 805 N ASP A 52 1.690 -1.965 -4.549 1.00 0.00 N ATOM 806 CA ASP A 52 2.795 -1.181 -5.090 1.00 0.00 C ATOM 807 C ASP A 52 2.383 0.275 -5.286 1.00 0.00 C ATOM 808 O ASP A 52 3.069 1.190 -4.832 1.00 0.00 O ATOM 809 CB ASP A 52 3.266 -1.775 -6.418 1.00 0.00 C ATOM 810 CG ASP A 52 4.648 -1.289 -6.811 1.00 0.00 C ATOM 811 OD1 ASP A 52 4.804 -0.072 -7.044 1.00 0.00 O ATOM 812 OD2 ASP A 52 5.572 -2.126 -6.887 1.00 0.00 O ATOM 0 H ASP A 52 1.491 -2.824 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 52 3.617 -1.213 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.274 -2.862 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.555 -1.514 -7.202 1.00 0.00 H new ATOM 817 N SER A 53 1.260 0.480 -5.967 1.00 0.00 N ATOM 818 CA SER A 53 0.760 1.825 -6.227 1.00 0.00 C ATOM 819 C SER A 53 0.734 2.653 -4.946 1.00 0.00 C ATOM 820 O SER A 53 1.197 3.794 -4.922 1.00 0.00 O ATOM 821 CB SER A 53 -0.642 1.762 -6.835 1.00 0.00 C ATOM 822 OG SER A 53 -0.601 1.268 -8.163 1.00 0.00 O ATOM 0 H SER A 53 0.680 -0.267 -6.348 1.00 0.00 H new ATOM 0 HA SER A 53 1.435 2.305 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.278 1.121 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.090 2.756 -6.827 1.00 0.00 H new ATOM 0 HG SER A 53 -0.695 0.293 -8.152 1.00 0.00 H new ATOM 828 N TRP A 54 0.190 2.071 -3.884 1.00 0.00 N ATOM 829 CA TRP A 54 0.103 2.754 -2.598 1.00 0.00 C ATOM 830 C TRP A 54 1.456 3.331 -2.196 1.00 0.00 C ATOM 831 O TRP A 54 1.617 4.547 -2.090 1.00 0.00 O ATOM 832 CB TRP A 54 -0.397 1.793 -1.519 1.00 0.00 C ATOM 833 CG TRP A 54 -0.530 2.431 -0.170 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.637 3.048 0.339 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.481 2.518 0.841 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.375 3.512 1.606 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.084 3.199 1.937 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.806 2.084 0.927 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.634 3.456 3.102 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.517 2.341 2.084 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.930 3.021 3.160 1.00 0.00 C ATOM 0 H TRP A 54 -0.198 1.128 -3.887 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.606 3.576 -2.698 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.365 1.392 -1.820 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.289 0.949 -1.448 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.579 3.155 -0.178 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.036 4.009 2.203 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.266 1.557 0.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.183 3.981 3.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.543 2.012 2.160 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.511 3.205 4.051 1.00 0.00 H new ATOM 852 N PHE A 55 2.427 2.451 -1.973 1.00 0.00 N ATOM 853 CA PHE A 55 3.767 2.873 -1.581 1.00 0.00 C ATOM 854 C PHE A 55 4.257 4.016 -2.466 1.00 0.00 C ATOM 855 O PHE A 55 4.614 5.086 -1.974 1.00 0.00 O ATOM 856 CB PHE A 55 4.740 1.695 -1.664 1.00 0.00 C ATOM 857 CG PHE A 55 4.612 0.731 -0.519 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.132 1.042 0.727 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.973 -0.487 -0.690 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.016 0.157 1.783 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.854 -1.375 0.362 1.00 0.00 C ATOM 862 CZ PHE A 55 4.377 -1.054 1.599 1.00 0.00 C ATOM 0 H PHE A 55 2.311 1.441 -2.057 1.00 0.00 H new ATOM 0 HA PHE A 55 3.723 3.227 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.572 1.161 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.760 2.078 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.634 1.987 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.564 -0.745 -1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.424 0.412 2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.352 -2.320 0.217 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.287 -1.748 2.421 1.00 0.00 H new ATOM 872 N SER A 56 4.272 3.779 -3.774 1.00 0.00 N ATOM 873 CA SER A 56 4.723 4.786 -4.727 1.00 0.00 C ATOM 874 C SER A 56 3.969 6.097 -4.529 1.00 0.00 C ATOM 875 O SER A 56 4.431 7.159 -4.945 1.00 0.00 O ATOM 876 CB SER A 56 4.529 4.285 -6.160 1.00 0.00 C ATOM 877 OG SER A 56 4.798 5.310 -7.100 1.00 0.00 O ATOM 0 H SER A 56 3.977 2.899 -4.197 1.00 0.00 H new ATOM 0 HA SER A 56 5.784 4.967 -4.553 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.188 3.437 -6.344 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.507 3.929 -6.289 1.00 0.00 H new ATOM 0 HG SER A 56 4.668 4.964 -8.008 1.00 0.00 H new ATOM 883 N GLU A 57 2.805 6.014 -3.892 1.00 0.00 N ATOM 884 CA GLU A 57 1.987 7.194 -3.639 1.00 0.00 C ATOM 885 C GLU A 57 2.260 7.758 -2.248 1.00 0.00 C ATOM 886 O GLU A 57 2.175 8.966 -2.029 1.00 0.00 O ATOM 887 CB GLU A 57 0.502 6.852 -3.780 1.00 0.00 C ATOM 888 CG GLU A 57 -0.030 7.021 -5.194 1.00 0.00 C ATOM 889 CD GLU A 57 -0.297 8.471 -5.547 1.00 0.00 C ATOM 890 OE1 GLU A 57 -0.833 9.202 -4.688 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.030 8.874 -6.682 1.00 0.00 O ATOM 0 H GLU A 57 2.408 5.142 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 57 2.250 7.952 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.343 5.822 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.074 7.486 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.688 6.605 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.951 6.449 -5.302 1.00 0.00 H new ATOM 898 N ARG A 58 2.588 6.874 -1.312 1.00 0.00 N ATOM 899 CA ARG A 58 2.872 7.283 0.059 1.00 0.00 C ATOM 900 C ARG A 58 4.314 7.766 0.195 1.00 0.00 C ATOM 901 O ARG A 58 4.562 8.938 0.478 1.00 0.00 O ATOM 902 CB ARG A 58 2.619 6.122 1.023 1.00 0.00 C ATOM 903 CG ARG A 58 2.996 6.432 2.462 1.00 0.00 C ATOM 904 CD ARG A 58 1.897 7.209 3.170 1.00 0.00 C ATOM 905 NE ARG A 58 2.403 7.941 4.328 1.00 0.00 N ATOM 906 CZ ARG A 58 1.626 8.411 5.298 1.00 0.00 C ATOM 907 NH1 ARG A 58 0.314 8.226 5.249 1.00 0.00 N ATOM 908 NH2 ARG A 58 2.161 9.067 6.319 1.00 0.00 N ATOM 0 H ARG A 58 2.664 5.870 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 58 2.205 8.108 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.564 5.851 0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.184 5.253 0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.189 5.502 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.921 7.008 2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.439 7.909 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.115 6.521 3.490 1.00 0.00 H new ATOM 0 HE ARG A 58 3.408 8.100 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.101 7.722 4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.280 8.588 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.170 9.211 6.360 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.564 9.427 7.063 1.00 0.00 H new ATOM 922 N ARG A 59 5.259 6.854 -0.009 1.00 0.00 N ATOM 923 CA ARG A 59 6.675 7.187 0.093 1.00 0.00 C ATOM 924 C ARG A 59 6.979 8.496 -0.630 1.00 0.00 C ATOM 925 O ARG A 59 7.901 9.223 -0.258 1.00 0.00 O ATOM 926 CB ARG A 59 7.528 6.059 -0.492 1.00 0.00 C ATOM 927 CG ARG A 59 7.625 6.092 -2.008 1.00 0.00 C ATOM 928 CD ARG A 59 8.730 5.179 -2.516 1.00 0.00 C ATOM 929 NE ARG A 59 10.035 5.834 -2.490 1.00 0.00 N ATOM 930 CZ ARG A 59 10.451 6.682 -3.425 1.00 0.00 C ATOM 931 NH1 ARG A 59 9.667 6.977 -4.453 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.652 7.238 -3.331 1.00 0.00 N ATOM 0 H ARG A 59 5.070 5.880 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 59 6.919 7.310 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.532 6.118 -0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.109 5.101 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.672 5.788 -2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.814 7.113 -2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.765 4.277 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.502 4.865 -3.535 1.00 0.00 H new ATOM 0 HE ARG A 59 10.662 5.629 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.742 6.553 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.989 7.628 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.257 7.015 -2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.970 7.889 -4.049 1.00 0.00 H new ATOM 946 N LYS A 60 6.199 8.790 -1.664 1.00 0.00 N ATOM 947 CA LYS A 60 6.383 10.012 -2.438 1.00 0.00 C ATOM 948 C LYS A 60 5.673 11.189 -1.776 1.00 0.00 C ATOM 949 O LYS A 60 6.156 12.320 -1.815 1.00 0.00 O ATOM 950 CB LYS A 60 5.856 9.821 -3.863 1.00 0.00 C ATOM 951 CG LYS A 60 4.346 9.942 -3.974 1.00 0.00 C ATOM 952 CD LYS A 60 3.899 10.045 -5.422 1.00 0.00 C ATOM 953 CE LYS A 60 3.903 11.487 -5.906 1.00 0.00 C ATOM 954 NZ LYS A 60 5.275 12.065 -5.915 1.00 0.00 N ATOM 0 H LYS A 60 5.433 8.199 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 60 7.450 10.230 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.320 10.561 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.161 8.840 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.876 9.076 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.009 10.822 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.559 9.447 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.897 9.628 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.482 11.534 -6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.260 12.088 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.283 12.930 -6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.561 12.295 -4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.940 11.374 -6.317 1.00 0.00 H new ATOM 968 N LYS A 61 4.525 10.914 -1.166 1.00 0.00 N ATOM 969 CA LYS A 61 3.750 11.949 -0.492 1.00 0.00 C ATOM 970 C LYS A 61 4.527 12.531 0.685 1.00 0.00 C ATOM 971 O LYS A 61 4.531 13.743 0.900 1.00 0.00 O ATOM 972 CB LYS A 61 2.416 11.379 -0.004 1.00 0.00 C ATOM 973 CG LYS A 61 1.310 11.445 -1.043 1.00 0.00 C ATOM 974 CD LYS A 61 0.240 10.397 -0.785 1.00 0.00 C ATOM 975 CE LYS A 61 -0.782 10.882 0.231 1.00 0.00 C ATOM 976 NZ LYS A 61 -0.243 10.851 1.619 1.00 0.00 N ATOM 0 H LYS A 61 4.111 9.983 -1.125 1.00 0.00 H new ATOM 0 HA LYS A 61 3.557 12.748 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.561 10.341 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.101 11.925 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.859 12.437 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.733 11.297 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.263 10.152 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.707 9.480 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.087 11.899 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.674 10.259 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.012 10.634 2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.493 10.120 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.166 11.778 1.853 1.00 0.00 H new