USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=9 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= -0.338 K(o=-0.34,f=-4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -110:sc= -2! USER MOD Single : A 28 GLN : amide:sc= -0.0958 X(o=-0.096,f=-0.34) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.416 F(o=-1.5,f=-0.42) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= -0.107 (180deg=-0.107) USER MOD Single : A 47 THR OG1 : rot -120:sc= -1.77 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= -0.0559 (180deg=-0.376) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.842 4.570 1.891 1.00 0.00 N ATOM 175 CA ARG A 14 -7.740 3.155 2.229 1.00 0.00 C ATOM 176 C ARG A 14 -8.402 2.869 3.574 1.00 0.00 C ATOM 177 O ARG A 14 -8.710 3.786 4.333 1.00 0.00 O ATOM 178 CB ARG A 14 -6.273 2.723 2.269 1.00 0.00 C ATOM 179 CG ARG A 14 -5.555 2.883 0.939 1.00 0.00 C ATOM 180 CD ARG A 14 -5.764 1.671 0.044 1.00 0.00 C ATOM 181 NE ARG A 14 -5.334 1.924 -1.329 1.00 0.00 N ATOM 182 CZ ARG A 14 -5.958 2.759 -2.152 1.00 0.00 C ATOM 183 NH1 ARG A 14 -7.034 3.417 -1.744 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.506 2.936 -3.387 1.00 0.00 N ATOM 0 HA ARG A 14 -8.259 2.584 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.751 3.308 3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.219 1.679 2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.919 3.777 0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.489 3.027 1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.210 0.823 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.818 1.394 0.049 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.510 1.433 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.385 3.283 -0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.511 4.058 -2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.679 2.431 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.986 3.577 -4.019 1.00 0.00 H new ATOM 198 N ALA A 15 -8.619 1.589 3.860 1.00 0.00 N ATOM 199 CA ALA A 15 -9.243 1.181 5.112 1.00 0.00 C ATOM 200 C ALA A 15 -8.238 1.203 6.259 1.00 0.00 C ATOM 201 O ALA A 15 -7.025 1.168 6.054 1.00 0.00 O ATOM 202 CB ALA A 15 -9.856 -0.204 4.971 1.00 0.00 C ATOM 0 H ALA A 15 -8.372 0.817 3.241 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.035 1.894 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.318 -0.495 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.612 -0.189 4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.078 -0.922 4.712 1.00 0.00 H new ATOM 208 N PRO A 16 -8.752 1.261 7.497 1.00 0.00 N ATOM 209 CA PRO A 16 -7.916 1.289 8.700 1.00 0.00 C ATOM 210 C PRO A 16 -7.215 -0.042 8.949 1.00 0.00 C ATOM 211 O PRO A 16 -6.127 -0.082 9.523 1.00 0.00 O ATOM 212 CB PRO A 16 -8.917 1.583 9.821 1.00 0.00 C ATOM 213 CG PRO A 16 -10.222 1.085 9.303 1.00 0.00 C ATOM 214 CD PRO A 16 -10.189 1.305 7.816 1.00 0.00 C ATOM 0 HA PRO A 16 -7.114 2.023 8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.638 1.075 10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.960 2.649 10.044 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.358 0.029 9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.053 1.623 9.759 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.743 0.532 7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.633 2.262 7.541 1.00 0.00 H new ATOM 222 N GLU A 17 -7.844 -1.128 8.513 1.00 0.00 N ATOM 223 CA GLU A 17 -7.279 -2.461 8.690 1.00 0.00 C ATOM 224 C GLU A 17 -6.136 -2.702 7.707 1.00 0.00 C ATOM 225 O GLU A 17 -5.072 -3.189 8.085 1.00 0.00 O ATOM 226 CB GLU A 17 -8.360 -3.527 8.503 1.00 0.00 C ATOM 227 CG GLU A 17 -9.466 -3.460 9.543 1.00 0.00 C ATOM 228 CD GLU A 17 -8.940 -3.545 10.962 1.00 0.00 C ATOM 229 OE1 GLU A 17 -8.308 -2.571 11.420 1.00 0.00 O ATOM 230 OE2 GLU A 17 -9.160 -4.587 11.614 1.00 0.00 O ATOM 0 H GLU A 17 -8.745 -1.112 8.035 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.884 -2.529 9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.798 -3.418 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.897 -4.513 8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.019 -2.529 9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.170 -4.274 9.371 1.00 0.00 H new ATOM 237 N GLN A 18 -6.368 -2.357 6.444 1.00 0.00 N ATOM 238 CA GLN A 18 -5.359 -2.537 5.407 1.00 0.00 C ATOM 239 C GLN A 18 -4.133 -1.674 5.684 1.00 0.00 C ATOM 240 O GLN A 18 -3.013 -2.179 5.776 1.00 0.00 O ATOM 241 CB GLN A 18 -5.941 -2.192 4.035 1.00 0.00 C ATOM 242 CG GLN A 18 -7.166 -3.013 3.669 1.00 0.00 C ATOM 243 CD GLN A 18 -7.845 -2.519 2.407 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.859 -1.822 2.466 1.00 0.00 O ATOM 245 NE2 GLN A 18 -7.288 -2.877 1.256 1.00 0.00 N ATOM 0 H GLN A 18 -7.244 -1.952 6.115 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.052 -3.583 5.412 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.204 -1.134 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.173 -2.342 3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.874 -4.055 3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.877 -2.985 4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.448 -3.455 1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.700 -2.573 0.374 1.00 0.00 H new ATOM 254 N LEU A 19 -4.351 -0.370 5.817 1.00 0.00 N ATOM 255 CA LEU A 19 -3.263 0.564 6.084 1.00 0.00 C ATOM 256 C LEU A 19 -2.368 0.052 7.208 1.00 0.00 C ATOM 257 O LEU A 19 -1.149 -0.028 7.056 1.00 0.00 O ATOM 258 CB LEU A 19 -3.824 1.939 6.450 1.00 0.00 C ATOM 259 CG LEU A 19 -4.123 2.876 5.279 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.717 4.184 5.780 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.862 3.136 4.469 1.00 0.00 C ATOM 0 H LEU A 19 -5.271 0.064 5.744 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.663 0.652 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.743 1.795 7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.114 2.434 7.113 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.854 2.394 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.923 4.838 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.644 3.981 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.010 4.671 6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.094 3.805 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.108 3.597 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.479 2.193 4.079 1.00 0.00 H new ATOM 273 N ARG A 20 -2.982 -0.297 8.334 1.00 0.00 N ATOM 274 CA ARG A 20 -2.241 -0.803 9.483 1.00 0.00 C ATOM 275 C ARG A 20 -1.095 -1.707 9.036 1.00 0.00 C ATOM 276 O ARG A 20 0.026 -1.594 9.529 1.00 0.00 O ATOM 277 CB ARG A 20 -3.174 -1.571 10.420 1.00 0.00 C ATOM 278 CG ARG A 20 -2.448 -2.303 11.537 1.00 0.00 C ATOM 279 CD ARG A 20 -3.295 -3.430 12.107 1.00 0.00 C ATOM 280 NE ARG A 20 -2.651 -4.076 13.248 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.284 -4.891 14.084 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.571 -5.159 13.908 1.00 0.00 N ATOM 283 NH2 ARG A 20 -2.630 -5.440 15.100 1.00 0.00 N ATOM 0 H ARG A 20 -3.991 -0.239 8.475 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.822 0.050 10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.889 -0.875 10.858 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.747 -2.292 9.837 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.509 -2.708 11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.195 -1.600 12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.264 -3.036 12.413 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.483 -4.171 11.330 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.661 -3.891 13.412 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.078 -4.739 13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.054 -5.785 14.552 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.640 -5.236 15.239 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.117 -6.066 15.742 1.00 0.00 H new ATOM 297 N ALA A 21 -1.387 -2.603 8.098 1.00 0.00 N ATOM 298 CA ALA A 21 -0.381 -3.524 7.584 1.00 0.00 C ATOM 299 C ALA A 21 0.587 -2.812 6.646 1.00 0.00 C ATOM 300 O ALA A 21 1.792 -3.070 6.668 1.00 0.00 O ATOM 301 CB ALA A 21 -1.050 -4.690 6.870 1.00 0.00 C ATOM 0 H ALA A 21 -2.311 -2.710 7.679 1.00 0.00 H new ATOM 0 HA ALA A 21 0.190 -3.908 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.287 -5.370 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.696 -5.222 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.646 -4.314 6.039 1.00 0.00 H new ATOM 307 N LEU A 22 0.055 -1.917 5.822 1.00 0.00 N ATOM 308 CA LEU A 22 0.873 -1.167 4.875 1.00 0.00 C ATOM 309 C LEU A 22 1.838 -0.238 5.604 1.00 0.00 C ATOM 310 O LEU A 22 3.054 -0.400 5.518 1.00 0.00 O ATOM 311 CB LEU A 22 -0.018 -0.357 3.931 1.00 0.00 C ATOM 312 CG LEU A 22 -0.836 -1.164 2.922 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.841 -0.269 2.213 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.079 -1.844 1.915 1.00 0.00 C ATOM 0 H LEU A 22 -0.939 -1.693 5.790 1.00 0.00 H new ATOM 0 HA LEU A 22 1.456 -1.880 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.705 0.237 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.611 0.343 3.381 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.385 -1.936 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.414 -0.860 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.518 0.170 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.312 0.525 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.521 -2.414 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.656 -1.090 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.759 -2.517 2.438 1.00 0.00 H new ATOM 326 N GLU A 23 1.286 0.734 6.324 1.00 0.00 N ATOM 327 CA GLU A 23 2.099 1.687 7.070 1.00 0.00 C ATOM 328 C GLU A 23 3.160 0.967 7.897 1.00 0.00 C ATOM 329 O GLU A 23 4.346 1.285 7.816 1.00 0.00 O ATOM 330 CB GLU A 23 1.215 2.539 7.983 1.00 0.00 C ATOM 331 CG GLU A 23 0.398 3.582 7.240 1.00 0.00 C ATOM 332 CD GLU A 23 0.001 4.750 8.122 1.00 0.00 C ATOM 333 OE1 GLU A 23 -0.651 4.515 9.161 1.00 0.00 O ATOM 334 OE2 GLU A 23 0.342 5.899 7.773 1.00 0.00 O ATOM 0 H GLU A 23 0.280 0.882 6.406 1.00 0.00 H new ATOM 0 HA GLU A 23 2.602 2.337 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.539 1.885 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.844 3.039 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.973 3.952 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.500 3.115 6.837 1.00 0.00 H new ATOM 341 N SER A 24 2.723 -0.004 8.693 1.00 0.00 N ATOM 342 CA SER A 24 3.634 -0.766 9.539 1.00 0.00 C ATOM 343 C SER A 24 4.807 -1.306 8.726 1.00 0.00 C ATOM 344 O SER A 24 5.963 -1.195 9.134 1.00 0.00 O ATOM 345 CB SER A 24 2.891 -1.921 10.213 1.00 0.00 C ATOM 346 OG SER A 24 3.703 -2.547 11.192 1.00 0.00 O ATOM 0 H SER A 24 1.744 -0.281 8.770 1.00 0.00 H new ATOM 0 HA SER A 24 4.024 -0.097 10.306 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.978 -1.549 10.677 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.592 -2.652 9.462 1.00 0.00 H new ATOM 0 HG SER A 24 3.205 -3.281 11.609 1.00 0.00 H new ATOM 352 N SER A 25 4.499 -1.892 7.573 1.00 0.00 N ATOM 353 CA SER A 25 5.526 -2.454 6.703 1.00 0.00 C ATOM 354 C SER A 25 6.408 -1.353 6.123 1.00 0.00 C ATOM 355 O SER A 25 7.626 -1.504 6.024 1.00 0.00 O ATOM 356 CB SER A 25 4.882 -3.257 5.571 1.00 0.00 C ATOM 357 OG SER A 25 5.866 -3.822 4.723 1.00 0.00 O ATOM 0 H SER A 25 3.547 -1.990 7.220 1.00 0.00 H new ATOM 0 HA SER A 25 6.150 -3.119 7.301 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.261 -4.048 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.225 -2.610 4.990 1.00 0.00 H new ATOM 0 HG SER A 25 5.847 -3.370 3.854 1.00 0.00 H new ATOM 363 N PHE A 26 5.784 -0.244 5.740 1.00 0.00 N ATOM 364 CA PHE A 26 6.511 0.884 5.168 1.00 0.00 C ATOM 365 C PHE A 26 7.753 1.206 5.994 1.00 0.00 C ATOM 366 O PHE A 26 8.833 1.428 5.449 1.00 0.00 O ATOM 367 CB PHE A 26 5.605 2.114 5.088 1.00 0.00 C ATOM 368 CG PHE A 26 6.215 3.260 4.333 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.690 3.083 3.043 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.315 4.514 4.912 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.252 4.135 2.346 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.876 5.571 4.220 1.00 0.00 C ATOM 373 CZ PHE A 26 7.345 5.381 2.935 1.00 0.00 C ATOM 0 H PHE A 26 4.777 -0.102 5.815 1.00 0.00 H new ATOM 0 HA PHE A 26 6.827 0.608 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.666 1.833 4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.363 2.443 6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.620 2.111 2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.950 4.668 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.618 3.983 1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.947 6.544 4.684 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.784 6.205 2.392 1.00 0.00 H new ATOM 383 N ALA A 27 7.589 1.229 7.313 1.00 0.00 N ATOM 384 CA ALA A 27 8.696 1.522 8.215 1.00 0.00 C ATOM 385 C ALA A 27 9.932 0.709 7.849 1.00 0.00 C ATOM 386 O ALA A 27 11.009 1.264 7.630 1.00 0.00 O ATOM 387 CB ALA A 27 8.289 1.250 9.656 1.00 0.00 C ATOM 0 H ALA A 27 6.700 1.048 7.780 1.00 0.00 H new ATOM 0 HA ALA A 27 8.946 2.578 8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.125 1.473 10.319 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.439 1.880 9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.010 0.202 9.764 1.00 0.00 H new ATOM 393 N GLN A 28 9.771 -0.609 7.786 1.00 0.00 N ATOM 394 CA GLN A 28 10.875 -1.499 7.448 1.00 0.00 C ATOM 395 C GLN A 28 11.461 -1.146 6.085 1.00 0.00 C ATOM 396 O GLN A 28 12.668 -0.955 5.948 1.00 0.00 O ATOM 397 CB GLN A 28 10.406 -2.954 7.454 1.00 0.00 C ATOM 398 CG GLN A 28 9.930 -3.435 8.815 1.00 0.00 C ATOM 399 CD GLN A 28 11.024 -3.396 9.864 1.00 0.00 C ATOM 400 OE1 GLN A 28 12.175 -3.737 9.589 1.00 0.00 O ATOM 401 NE2 GLN A 28 10.670 -2.978 11.073 1.00 0.00 N ATOM 0 H GLN A 28 8.886 -1.084 7.965 1.00 0.00 H new ATOM 0 HA GLN A 28 11.653 -1.373 8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.596 -3.069 6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.224 -3.592 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.095 -2.816 9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.555 -4.454 8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.704 -2.705 11.256 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.364 -2.930 11.819 1.00 0.00 H new ATOM 410 N ASN A 29 10.597 -1.062 5.079 1.00 0.00 N ATOM 411 CA ASN A 29 11.029 -0.733 3.726 1.00 0.00 C ATOM 412 C ASN A 29 9.901 -0.069 2.941 1.00 0.00 C ATOM 413 O ASN A 29 8.729 -0.424 3.069 1.00 0.00 O ATOM 414 CB ASN A 29 11.498 -1.994 2.997 1.00 0.00 C ATOM 415 CG ASN A 29 10.752 -3.234 3.449 1.00 0.00 C ATOM 416 OD1 ASN A 29 9.527 -3.397 2.964 1.00 0.00 O flip ATOM 417 ND2 ASN A 29 11.272 -4.036 4.225 1.00 0.00 N flip ATOM 0 H ASN A 29 9.593 -1.217 5.175 1.00 0.00 H new ATOM 0 HA ASN A 29 11.860 -0.032 3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.361 -1.862 1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.566 -2.133 3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.216 -3.870 4.573 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.758 -4.866 4.520 1.00 0.00 H new ATOM 424 N PRO A 30 10.262 0.919 2.108 1.00 0.00 N ATOM 425 CA PRO A 30 9.296 1.652 1.285 1.00 0.00 C ATOM 426 C PRO A 30 8.713 0.791 0.169 1.00 0.00 C ATOM 427 O PRO A 30 7.512 0.838 -0.102 1.00 0.00 O ATOM 428 CB PRO A 30 10.126 2.797 0.699 1.00 0.00 C ATOM 429 CG PRO A 30 11.526 2.289 0.701 1.00 0.00 C ATOM 430 CD PRO A 30 11.640 1.395 1.905 1.00 0.00 C ATOM 0 HA PRO A 30 8.436 1.985 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.797 3.048 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.032 3.702 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.743 1.740 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.239 3.111 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.329 0.569 1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.010 1.938 2.775 1.00 0.00 H new ATOM 438 N LEU A 31 9.569 0.006 -0.474 1.00 0.00 N ATOM 439 CA LEU A 31 9.139 -0.867 -1.561 1.00 0.00 C ATOM 440 C LEU A 31 9.502 -2.320 -1.269 1.00 0.00 C ATOM 441 O LEU A 31 10.570 -2.805 -1.643 1.00 0.00 O ATOM 442 CB LEU A 31 9.776 -0.425 -2.879 1.00 0.00 C ATOM 443 CG LEU A 31 9.407 0.977 -3.367 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.246 1.360 -4.576 1.00 0.00 C ATOM 445 CD2 LEU A 31 7.923 1.052 -3.699 1.00 0.00 C ATOM 0 H LEU A 31 10.565 -0.044 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 31 8.055 -0.793 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.859 -0.477 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.498 -1.142 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 31 9.617 1.687 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.969 2.360 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.302 1.347 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.069 0.648 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.678 2.056 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.689 0.331 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.339 0.822 -2.808 1.00 0.00 H new ATOM 457 N PRO A 32 8.593 -3.032 -0.587 1.00 0.00 N ATOM 458 CA PRO A 32 8.794 -4.440 -0.233 1.00 0.00 C ATOM 459 C PRO A 32 8.743 -5.357 -1.450 1.00 0.00 C ATOM 460 O PRO A 32 7.908 -5.181 -2.339 1.00 0.00 O ATOM 461 CB PRO A 32 7.626 -4.739 0.710 1.00 0.00 C ATOM 462 CG PRO A 32 6.571 -3.758 0.330 1.00 0.00 C ATOM 463 CD PRO A 32 7.298 -2.517 -0.110 1.00 0.00 C ATOM 0 HA PRO A 32 9.774 -4.612 0.212 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.274 -5.764 0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.919 -4.621 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.946 -4.149 -0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.913 -3.547 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.758 -1.993 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.424 -1.812 0.712 1.00 0.00 H new ATOM 471 N LEU A 33 9.641 -6.336 -1.485 1.00 0.00 N ATOM 472 CA LEU A 33 9.698 -7.282 -2.594 1.00 0.00 C ATOM 473 C LEU A 33 8.487 -8.209 -2.582 1.00 0.00 C ATOM 474 O LEU A 33 7.739 -8.257 -1.606 1.00 0.00 O ATOM 475 CB LEU A 33 10.985 -8.105 -2.522 1.00 0.00 C ATOM 476 CG LEU A 33 12.292 -7.313 -2.572 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.454 -8.169 -2.092 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.552 -6.799 -3.980 1.00 0.00 C ATOM 0 H LEU A 33 10.339 -6.495 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 33 9.688 -6.714 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.970 -8.685 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.984 -8.818 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 33 12.200 -6.455 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.376 -7.588 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.272 -8.486 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.548 -9.047 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.486 -6.238 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.623 -7.642 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.733 -6.149 -4.287 1.00 0.00 H new ATOM 490 N ASP A 34 8.301 -8.945 -3.673 1.00 0.00 N ATOM 491 CA ASP A 34 7.182 -9.873 -3.787 1.00 0.00 C ATOM 492 C ASP A 34 7.043 -10.714 -2.522 1.00 0.00 C ATOM 493 O ASP A 34 5.956 -10.824 -1.955 1.00 0.00 O ATOM 494 CB ASP A 34 7.369 -10.784 -5.001 1.00 0.00 C ATOM 495 CG ASP A 34 6.154 -11.650 -5.269 1.00 0.00 C ATOM 496 OD1 ASP A 34 5.040 -11.094 -5.373 1.00 0.00 O ATOM 497 OD2 ASP A 34 6.316 -12.883 -5.374 1.00 0.00 O ATOM 0 H ASP A 34 8.911 -8.917 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 34 6.270 -9.290 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.578 -10.174 -5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.238 -11.422 -4.842 1.00 0.00 H new ATOM 502 N GLU A 35 8.150 -11.307 -2.086 1.00 0.00 N ATOM 503 CA GLU A 35 8.150 -12.140 -0.889 1.00 0.00 C ATOM 504 C GLU A 35 7.505 -11.407 0.284 1.00 0.00 C ATOM 505 O GLU A 35 6.554 -11.900 0.889 1.00 0.00 O ATOM 506 CB GLU A 35 9.579 -12.548 -0.525 1.00 0.00 C ATOM 507 CG GLU A 35 10.507 -11.369 -0.286 1.00 0.00 C ATOM 508 CD GLU A 35 11.972 -11.750 -0.389 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.470 -12.443 0.522 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.619 -11.353 -1.381 1.00 0.00 O ATOM 0 H GLU A 35 9.058 -11.226 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 35 7.566 -13.036 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.554 -13.167 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.987 -13.164 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.287 -10.585 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.312 -10.952 0.702 1.00 0.00 H new ATOM 517 N GLU A 36 8.030 -10.226 0.598 1.00 0.00 N ATOM 518 CA GLU A 36 7.506 -9.426 1.698 1.00 0.00 C ATOM 519 C GLU A 36 6.073 -8.985 1.416 1.00 0.00 C ATOM 520 O GLU A 36 5.284 -8.772 2.338 1.00 0.00 O ATOM 521 CB GLU A 36 8.391 -8.201 1.934 1.00 0.00 C ATOM 522 CG GLU A 36 7.863 -7.265 3.008 1.00 0.00 C ATOM 523 CD GLU A 36 8.306 -7.667 4.401 1.00 0.00 C ATOM 524 OE1 GLU A 36 7.715 -8.614 4.961 1.00 0.00 O ATOM 525 OE2 GLU A 36 9.244 -7.034 4.931 1.00 0.00 O ATOM 0 H GLU A 36 8.817 -9.803 0.106 1.00 0.00 H new ATOM 0 HA GLU A 36 7.507 -10.044 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.390 -8.534 2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.489 -7.649 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.204 -6.251 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.774 -7.249 2.968 1.00 0.00 H new ATOM 532 N LEU A 37 5.743 -8.851 0.137 1.00 0.00 N ATOM 533 CA LEU A 37 4.404 -8.435 -0.268 1.00 0.00 C ATOM 534 C LEU A 37 3.403 -9.573 -0.091 1.00 0.00 C ATOM 535 O LEU A 37 2.241 -9.343 0.244 1.00 0.00 O ATOM 536 CB LEU A 37 4.412 -7.971 -1.726 1.00 0.00 C ATOM 537 CG LEU A 37 4.893 -6.540 -1.972 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.225 -6.334 -3.441 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.842 -5.539 -1.516 1.00 0.00 C ATOM 0 H LEU A 37 6.383 -9.024 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 37 4.100 -7.605 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.044 -8.649 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.401 -8.067 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 37 5.799 -6.376 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.565 -5.310 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.012 -7.027 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.336 -6.516 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.201 -4.526 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.919 -5.702 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.652 -5.670 -0.451 1.00 0.00 H new ATOM 551 N ASP A 38 3.863 -10.798 -0.315 1.00 0.00 N ATOM 552 CA ASP A 38 3.009 -11.973 -0.176 1.00 0.00 C ATOM 553 C ASP A 38 2.422 -12.055 1.229 1.00 0.00 C ATOM 554 O ASP A 38 1.300 -12.526 1.417 1.00 0.00 O ATOM 555 CB ASP A 38 3.800 -13.244 -0.487 1.00 0.00 C ATOM 556 CG ASP A 38 2.903 -14.453 -0.673 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.572 -15.106 0.338 1.00 0.00 O ATOM 558 OD2 ASP A 38 2.534 -14.745 -1.830 1.00 0.00 O ATOM 0 H ASP A 38 4.822 -11.004 -0.594 1.00 0.00 H new ATOM 0 HA ASP A 38 2.189 -11.882 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.389 -13.090 -1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.503 -13.438 0.323 1.00 0.00 H new ATOM 563 N ARG A 39 3.188 -11.594 2.213 1.00 0.00 N ATOM 564 CA ARG A 39 2.745 -11.618 3.601 1.00 0.00 C ATOM 565 C ARG A 39 1.673 -10.560 3.848 1.00 0.00 C ATOM 566 O ARG A 39 0.579 -10.867 4.322 1.00 0.00 O ATOM 567 CB ARG A 39 3.930 -11.388 4.541 1.00 0.00 C ATOM 568 CG ARG A 39 4.699 -12.656 4.873 1.00 0.00 C ATOM 569 CD ARG A 39 3.891 -13.579 5.772 1.00 0.00 C ATOM 570 NE ARG A 39 3.713 -13.021 7.110 1.00 0.00 N ATOM 571 CZ ARG A 39 2.703 -12.228 7.448 1.00 0.00 C ATOM 572 NH1 ARG A 39 1.784 -11.901 6.550 1.00 0.00 N ATOM 573 NH2 ARG A 39 2.610 -11.761 8.686 1.00 0.00 N ATOM 0 H ARG A 39 4.118 -11.200 2.074 1.00 0.00 H new ATOM 0 HA ARG A 39 2.316 -12.599 3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.611 -10.669 4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.567 -10.940 5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.957 -13.178 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.636 -12.396 5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.915 -13.760 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.392 -14.544 5.845 1.00 0.00 H new ATOM 0 HE ARG A 39 4.403 -13.253 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.852 -12.259 5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.009 -11.292 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.315 -12.011 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.834 -11.152 8.944 1.00 0.00 H new ATOM 587 N LEU A 40 1.995 -9.312 3.524 1.00 0.00 N ATOM 588 CA LEU A 40 1.061 -8.208 3.710 1.00 0.00 C ATOM 589 C LEU A 40 -0.257 -8.482 2.993 1.00 0.00 C ATOM 590 O LEU A 40 -1.333 -8.212 3.526 1.00 0.00 O ATOM 591 CB LEU A 40 1.673 -6.904 3.195 1.00 0.00 C ATOM 592 CG LEU A 40 2.875 -6.372 3.976 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.642 -5.354 3.147 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.426 -5.760 5.295 1.00 0.00 C ATOM 0 H LEU A 40 2.896 -9.040 3.131 1.00 0.00 H new ATOM 0 HA LEU A 40 0.859 -8.112 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.976 -7.053 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.898 -6.138 3.194 1.00 0.00 H new ATOM 0 HG LEU A 40 3.541 -7.207 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.494 -4.986 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.997 -5.825 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.986 -4.520 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.295 -5.387 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.739 -4.937 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.922 -6.518 5.895 1.00 0.00 H new ATOM 606 N ARG A 41 -0.165 -9.022 1.782 1.00 0.00 N ATOM 607 CA ARG A 41 -1.350 -9.335 0.992 1.00 0.00 C ATOM 608 C ARG A 41 -2.387 -10.070 1.836 1.00 0.00 C ATOM 609 O ARG A 41 -3.588 -9.975 1.583 1.00 0.00 O ATOM 610 CB ARG A 41 -0.970 -10.184 -0.222 1.00 0.00 C ATOM 611 CG ARG A 41 -0.625 -9.364 -1.455 1.00 0.00 C ATOM 612 CD ARG A 41 -0.926 -10.128 -2.734 1.00 0.00 C ATOM 613 NE ARG A 41 -2.282 -10.671 -2.741 1.00 0.00 N ATOM 614 CZ ARG A 41 -2.756 -11.451 -3.706 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.988 -11.778 -4.737 1.00 0.00 N ATOM 616 NH2 ARG A 41 -4.001 -11.906 -3.642 1.00 0.00 N ATOM 0 H ARG A 41 0.718 -9.252 1.326 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.785 -8.397 0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.117 -10.812 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.797 -10.853 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.192 -8.433 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.431 -9.095 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.796 -9.466 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.209 -10.941 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.899 -10.439 -1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.031 -11.430 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.355 -12.377 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.595 -11.657 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.364 -12.505 -4.384 1.00 0.00 H new ATOM 630 N SER A 42 -1.915 -10.803 2.839 1.00 0.00 N ATOM 631 CA SER A 42 -2.800 -11.558 3.718 1.00 0.00 C ATOM 632 C SER A 42 -3.649 -10.619 4.571 1.00 0.00 C ATOM 633 O SER A 42 -4.834 -10.866 4.791 1.00 0.00 O ATOM 634 CB SER A 42 -1.987 -12.489 4.619 1.00 0.00 C ATOM 635 OG SER A 42 -1.359 -13.510 3.862 1.00 0.00 O ATOM 0 H SER A 42 -0.924 -10.890 3.063 1.00 0.00 H new ATOM 0 HA SER A 42 -3.465 -12.157 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.233 -11.914 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.640 -12.937 5.368 1.00 0.00 H new ATOM 0 HG SER A 42 -0.844 -14.091 4.460 1.00 0.00 H new ATOM 641 N GLU A 43 -3.031 -9.543 5.047 1.00 0.00 N ATOM 642 CA GLU A 43 -3.729 -8.567 5.877 1.00 0.00 C ATOM 643 C GLU A 43 -4.474 -7.553 5.014 1.00 0.00 C ATOM 644 O GLU A 43 -5.668 -7.319 5.200 1.00 0.00 O ATOM 645 CB GLU A 43 -2.741 -7.845 6.795 1.00 0.00 C ATOM 646 CG GLU A 43 -1.901 -8.784 7.644 1.00 0.00 C ATOM 647 CD GLU A 43 -1.389 -8.125 8.910 1.00 0.00 C ATOM 648 OE1 GLU A 43 -0.398 -7.370 8.828 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.981 -8.366 9.984 1.00 0.00 O ATOM 0 H GLU A 43 -2.050 -9.325 4.873 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.456 -9.102 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.079 -7.227 6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.293 -7.172 7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.496 -9.658 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.055 -9.140 7.056 1.00 0.00 H new ATOM 656 N THR A 44 -3.759 -6.951 4.069 1.00 0.00 N ATOM 657 CA THR A 44 -4.349 -5.960 3.178 1.00 0.00 C ATOM 658 C THR A 44 -5.369 -6.600 2.243 1.00 0.00 C ATOM 659 O THR A 44 -6.335 -5.959 1.828 1.00 0.00 O ATOM 660 CB THR A 44 -3.273 -5.249 2.336 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.383 -6.213 1.764 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.484 -4.264 3.186 1.00 0.00 C ATOM 0 H THR A 44 -2.769 -7.133 3.901 1.00 0.00 H new ATOM 0 HA THR A 44 -4.849 -5.226 3.809 1.00 0.00 H new ATOM 0 HB THR A 44 -3.772 -4.698 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.703 -5.753 1.229 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.730 -3.774 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.160 -3.514 3.596 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.996 -4.797 4.002 1.00 0.00 H new ATOM 670 N LYS A 45 -5.149 -7.868 1.914 1.00 0.00 N ATOM 671 CA LYS A 45 -6.050 -8.597 1.029 1.00 0.00 C ATOM 672 C LYS A 45 -6.107 -7.943 -0.348 1.00 0.00 C ATOM 673 O LYS A 45 -7.164 -7.890 -0.977 1.00 0.00 O ATOM 674 CB LYS A 45 -7.454 -8.658 1.635 1.00 0.00 C ATOM 675 CG LYS A 45 -7.551 -9.556 2.856 1.00 0.00 C ATOM 676 CD LYS A 45 -7.358 -11.018 2.490 1.00 0.00 C ATOM 677 CE LYS A 45 -7.813 -11.939 3.612 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.508 -13.366 3.317 1.00 0.00 N ATOM 0 H LYS A 45 -4.354 -8.413 2.247 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.666 -9.611 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.766 -7.650 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.153 -9.013 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.798 -9.261 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.524 -9.424 3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.918 -11.244 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.307 -11.203 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.324 -11.648 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.886 -11.821 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.834 -13.961 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.995 -13.652 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.482 -13.484 3.195 1.00 0.00 H new ATOM 692 N MET A 46 -4.964 -7.448 -0.811 1.00 0.00 N ATOM 693 CA MET A 46 -4.884 -6.800 -2.115 1.00 0.00 C ATOM 694 C MET A 46 -3.839 -7.478 -2.995 1.00 0.00 C ATOM 695 O MET A 46 -3.117 -8.369 -2.547 1.00 0.00 O ATOM 696 CB MET A 46 -4.547 -5.317 -1.951 1.00 0.00 C ATOM 697 CG MET A 46 -5.543 -4.558 -1.091 1.00 0.00 C ATOM 698 SD MET A 46 -5.685 -2.823 -1.559 1.00 0.00 S ATOM 699 CE MET A 46 -3.999 -2.268 -1.318 1.00 0.00 C ATOM 0 H MET A 46 -4.080 -7.483 -0.303 1.00 0.00 H new ATOM 0 HA MET A 46 -5.856 -6.892 -2.600 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.555 -5.225 -1.510 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.502 -4.852 -2.936 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.521 -5.033 -1.170 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.240 -4.625 -0.046 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.925 -1.209 -1.567 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.712 -2.416 -0.277 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.332 -2.840 -1.963 1.00 0.00 H new ATOM 709 N THR A 47 -3.763 -7.050 -4.252 1.00 0.00 N ATOM 710 CA THR A 47 -2.808 -7.616 -5.195 1.00 0.00 C ATOM 711 C THR A 47 -1.542 -6.770 -5.271 1.00 0.00 C ATOM 712 O THR A 47 -1.544 -5.598 -4.894 1.00 0.00 O ATOM 713 CB THR A 47 -3.415 -7.737 -6.606 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.566 -6.437 -7.187 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.766 -8.435 -6.555 1.00 0.00 C ATOM 0 H THR A 47 -4.352 -6.313 -4.640 1.00 0.00 H new ATOM 0 HA THR A 47 -2.556 -8.611 -4.829 1.00 0.00 H new ATOM 0 HB THR A 47 -2.739 -8.332 -7.219 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.511 -6.278 -7.392 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.175 -8.509 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.643 -9.435 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.448 -7.862 -5.927 1.00 0.00 H new ATOM 723 N ARG A 48 -0.462 -7.371 -5.759 1.00 0.00 N ATOM 724 CA ARG A 48 0.811 -6.672 -5.883 1.00 0.00 C ATOM 725 C ARG A 48 0.614 -5.285 -6.488 1.00 0.00 C ATOM 726 O ARG A 48 1.126 -4.293 -5.970 1.00 0.00 O ATOM 727 CB ARG A 48 1.781 -7.483 -6.745 1.00 0.00 C ATOM 728 CG ARG A 48 2.638 -8.454 -5.949 1.00 0.00 C ATOM 729 CD ARG A 48 1.787 -9.498 -5.242 1.00 0.00 C ATOM 730 NE ARG A 48 1.380 -10.573 -6.143 1.00 0.00 N ATOM 731 CZ ARG A 48 1.058 -11.794 -5.730 1.00 0.00 C ATOM 732 NH1 ARG A 48 1.094 -12.093 -4.439 1.00 0.00 N ATOM 733 NH2 ARG A 48 0.698 -12.720 -6.610 1.00 0.00 N ATOM 0 H ARG A 48 -0.443 -8.341 -6.075 1.00 0.00 H new ATOM 0 HA ARG A 48 1.232 -6.557 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.213 -8.040 -7.490 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.432 -6.797 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.344 -8.949 -6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.226 -7.904 -5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.348 -9.918 -4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.901 -9.021 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 48 1.341 -10.376 -7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.370 -11.385 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.846 -13.032 -4.126 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.668 -12.495 -7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.451 -13.657 -6.292 1.00 0.00 H new ATOM 747 N ARG A 49 -0.131 -5.225 -7.586 1.00 0.00 N ATOM 748 CA ARG A 49 -0.395 -3.961 -8.263 1.00 0.00 C ATOM 749 C ARG A 49 -1.126 -2.992 -7.338 1.00 0.00 C ATOM 750 O ARG A 49 -0.828 -1.799 -7.314 1.00 0.00 O ATOM 751 CB ARG A 49 -1.222 -4.198 -9.528 1.00 0.00 C ATOM 752 CG ARG A 49 -2.535 -4.918 -9.271 1.00 0.00 C ATOM 753 CD ARG A 49 -3.474 -4.808 -10.463 1.00 0.00 C ATOM 754 NE ARG A 49 -4.829 -5.242 -10.135 1.00 0.00 N ATOM 755 CZ ARG A 49 -5.906 -4.866 -10.815 1.00 0.00 C ATOM 756 NH1 ARG A 49 -5.787 -4.053 -11.855 1.00 0.00 N ATOM 757 NH2 ARG A 49 -7.106 -5.304 -10.455 1.00 0.00 N ATOM 0 H ARG A 49 -0.563 -6.037 -8.026 1.00 0.00 H new ATOM 0 HA ARG A 49 0.562 -3.519 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.430 -3.238 -10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.631 -4.780 -10.235 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.339 -5.969 -9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.015 -4.497 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.499 -3.775 -10.811 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.089 -5.412 -11.285 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.955 -5.868 -9.340 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.866 -3.714 -12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.616 -3.766 -12.375 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.202 -5.930 -9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.933 -5.015 -10.978 1.00 0.00 H new ATOM 771 N GLU A 50 -2.085 -3.515 -6.579 1.00 0.00 N ATOM 772 CA GLU A 50 -2.859 -2.695 -5.655 1.00 0.00 C ATOM 773 C GLU A 50 -1.965 -2.117 -4.561 1.00 0.00 C ATOM 774 O GLU A 50 -1.951 -0.907 -4.332 1.00 0.00 O ATOM 775 CB GLU A 50 -3.983 -3.521 -5.026 1.00 0.00 C ATOM 776 CG GLU A 50 -5.267 -3.520 -5.839 1.00 0.00 C ATOM 777 CD GLU A 50 -6.025 -2.211 -5.730 1.00 0.00 C ATOM 778 OE1 GLU A 50 -5.532 -1.195 -6.264 1.00 0.00 O ATOM 779 OE2 GLU A 50 -7.110 -2.202 -5.113 1.00 0.00 O ATOM 0 H GLU A 50 -2.344 -4.502 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.295 -1.870 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.642 -4.549 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.194 -3.133 -4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.030 -3.712 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.907 -4.335 -5.502 1.00 0.00 H new ATOM 786 N ILE A 51 -1.221 -2.990 -3.890 1.00 0.00 N ATOM 787 CA ILE A 51 -0.324 -2.566 -2.822 1.00 0.00 C ATOM 788 C ILE A 51 0.774 -1.653 -3.356 1.00 0.00 C ATOM 789 O ILE A 51 0.955 -0.534 -2.874 1.00 0.00 O ATOM 790 CB ILE A 51 0.324 -3.773 -2.119 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.753 -4.693 -1.540 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.271 -3.303 -1.025 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.222 -6.034 -1.085 1.00 0.00 C ATOM 0 H ILE A 51 -1.222 -3.995 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.930 -2.018 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 51 0.900 -4.336 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.229 -4.195 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.525 -4.853 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.721 -4.168 -0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.054 -2.685 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.717 -2.720 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.041 -6.633 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.229 -6.553 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.529 -5.884 -0.309 1.00 0.00 H new ATOM 805 N ASP A 52 1.504 -2.136 -4.355 1.00 0.00 N ATOM 806 CA ASP A 52 2.583 -1.362 -4.958 1.00 0.00 C ATOM 807 C ASP A 52 2.140 0.073 -5.224 1.00 0.00 C ATOM 808 O ASP A 52 2.843 1.024 -4.883 1.00 0.00 O ATOM 809 CB ASP A 52 3.043 -2.018 -6.261 1.00 0.00 C ATOM 810 CG ASP A 52 4.481 -1.679 -6.604 1.00 0.00 C ATOM 811 OD1 ASP A 52 4.761 -0.493 -6.877 1.00 0.00 O ATOM 812 OD2 ASP A 52 5.325 -2.599 -6.600 1.00 0.00 O ATOM 0 H ASP A 52 1.368 -3.060 -4.765 1.00 0.00 H new ATOM 0 HA ASP A 52 3.417 -1.341 -4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.938 -3.100 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.393 -1.697 -7.075 1.00 0.00 H new ATOM 817 N SER A 53 0.970 0.221 -5.837 1.00 0.00 N ATOM 818 CA SER A 53 0.435 1.540 -6.154 1.00 0.00 C ATOM 819 C SER A 53 0.409 2.428 -4.914 1.00 0.00 C ATOM 820 O SER A 53 0.763 3.606 -4.973 1.00 0.00 O ATOM 821 CB SER A 53 -0.975 1.416 -6.735 1.00 0.00 C ATOM 822 OG SER A 53 -1.504 2.688 -7.066 1.00 0.00 O ATOM 0 H SER A 53 0.375 -0.556 -6.124 1.00 0.00 H new ATOM 0 HA SER A 53 1.087 2.000 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.951 0.786 -7.624 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.627 0.924 -6.013 1.00 0.00 H new ATOM 0 HG SER A 53 -2.405 2.581 -7.437 1.00 0.00 H new ATOM 828 N TRP A 54 -0.012 1.855 -3.792 1.00 0.00 N ATOM 829 CA TRP A 54 -0.084 2.594 -2.537 1.00 0.00 C ATOM 830 C TRP A 54 1.273 3.188 -2.176 1.00 0.00 C ATOM 831 O TRP A 54 1.428 4.407 -2.101 1.00 0.00 O ATOM 832 CB TRP A 54 -0.571 1.680 -1.411 1.00 0.00 C ATOM 833 CG TRP A 54 -0.660 2.370 -0.083 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.748 3.009 0.437 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.382 2.490 0.892 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.446 3.520 1.677 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.146 3.215 1.979 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.709 2.055 0.953 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.608 3.513 3.111 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.456 2.353 2.077 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.904 3.075 3.144 1.00 0.00 C ATOM 0 H TRP A 54 -0.309 0.881 -3.726 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.794 3.411 -2.665 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.552 1.284 -1.673 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.104 0.829 -1.326 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.706 3.100 -0.054 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.087 4.042 2.275 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.143 1.496 0.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.185 4.070 3.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.483 2.024 2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.514 3.290 4.009 1.00 0.00 H new ATOM 852 N PHE A 55 2.254 2.319 -1.953 1.00 0.00 N ATOM 853 CA PHE A 55 3.599 2.759 -1.599 1.00 0.00 C ATOM 854 C PHE A 55 4.057 3.895 -2.509 1.00 0.00 C ATOM 855 O PHE A 55 4.319 5.006 -2.049 1.00 0.00 O ATOM 856 CB PHE A 55 4.581 1.589 -1.690 1.00 0.00 C ATOM 857 CG PHE A 55 4.501 0.647 -0.523 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.089 0.973 0.689 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.840 -0.565 -0.638 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.017 0.109 1.765 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.765 -1.433 0.434 1.00 0.00 C ATOM 862 CZ PHE A 55 4.355 -1.097 1.637 1.00 0.00 C ATOM 0 H PHE A 55 2.143 1.307 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 55 3.576 3.126 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.389 1.034 -2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.595 1.981 -1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.610 1.913 0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.378 -0.834 -1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.478 0.376 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.245 -2.374 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.299 -1.775 2.475 1.00 0.00 H new ATOM 872 N SER A 56 4.151 3.607 -3.803 1.00 0.00 N ATOM 873 CA SER A 56 4.581 4.602 -4.778 1.00 0.00 C ATOM 874 C SER A 56 3.765 5.884 -4.644 1.00 0.00 C ATOM 875 O SER A 56 4.181 6.948 -5.099 1.00 0.00 O ATOM 876 CB SER A 56 4.450 4.047 -6.198 1.00 0.00 C ATOM 877 OG SER A 56 5.268 4.765 -7.104 1.00 0.00 O ATOM 0 H SER A 56 3.935 2.693 -4.200 1.00 0.00 H new ATOM 0 HA SER A 56 5.627 4.836 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.730 2.994 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.410 4.103 -6.519 1.00 0.00 H new ATOM 0 HG SER A 56 5.167 4.390 -8.004 1.00 0.00 H new ATOM 883 N GLU A 57 2.599 5.772 -4.014 1.00 0.00 N ATOM 884 CA GLU A 57 1.723 6.921 -3.820 1.00 0.00 C ATOM 885 C GLU A 57 1.880 7.494 -2.415 1.00 0.00 C ATOM 886 O GLU A 57 1.577 8.662 -2.172 1.00 0.00 O ATOM 887 CB GLU A 57 0.264 6.525 -4.061 1.00 0.00 C ATOM 888 CG GLU A 57 -0.165 6.638 -5.514 1.00 0.00 C ATOM 889 CD GLU A 57 -1.640 6.953 -5.664 1.00 0.00 C ATOM 890 OE1 GLU A 57 -2.470 6.071 -5.360 1.00 0.00 O ATOM 891 OE2 GLU A 57 -1.965 8.083 -6.086 1.00 0.00 O ATOM 0 H GLU A 57 2.240 4.898 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 57 2.008 7.688 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.115 5.499 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.381 7.157 -3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.420 7.417 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.057 5.703 -6.028 1.00 0.00 H new ATOM 898 N ARG A 58 2.355 6.663 -1.493 1.00 0.00 N ATOM 899 CA ARG A 58 2.551 7.085 -0.112 1.00 0.00 C ATOM 900 C ARG A 58 3.967 7.615 0.099 1.00 0.00 C ATOM 901 O ARG A 58 4.157 8.767 0.489 1.00 0.00 O ATOM 902 CB ARG A 58 2.284 5.920 0.843 1.00 0.00 C ATOM 903 CG ARG A 58 2.527 6.262 2.304 1.00 0.00 C ATOM 904 CD ARG A 58 1.364 7.044 2.894 1.00 0.00 C ATOM 905 NE ARG A 58 1.634 7.476 4.263 1.00 0.00 N ATOM 906 CZ ARG A 58 0.757 8.137 5.011 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.439 8.439 4.526 1.00 0.00 N ATOM 908 NH2 ARG A 58 1.076 8.497 6.248 1.00 0.00 N ATOM 0 H ARG A 58 2.611 5.693 -1.678 1.00 0.00 H new ATOM 0 HA ARG A 58 1.845 7.888 0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.252 5.592 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.920 5.080 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.676 5.345 2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.443 6.846 2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.161 7.916 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.467 6.426 2.879 1.00 0.00 H new ATOM 0 HE ARG A 58 2.545 7.258 4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.688 8.164 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.110 8.946 5.103 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.995 8.266 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.402 9.004 6.821 1.00 0.00 H new ATOM 922 N ARG A 59 4.956 6.766 -0.161 1.00 0.00 N ATOM 923 CA ARG A 59 6.353 7.148 0.002 1.00 0.00 C ATOM 924 C ARG A 59 6.645 8.462 -0.717 1.00 0.00 C ATOM 925 O ARG A 59 7.548 9.206 -0.333 1.00 0.00 O ATOM 926 CB ARG A 59 7.271 6.047 -0.532 1.00 0.00 C ATOM 927 CG ARG A 59 7.329 5.985 -2.049 1.00 0.00 C ATOM 928 CD ARG A 59 8.527 5.180 -2.529 1.00 0.00 C ATOM 929 NE ARG A 59 9.710 6.017 -2.713 1.00 0.00 N ATOM 930 CZ ARG A 59 10.721 5.693 -3.511 1.00 0.00 C ATOM 931 NH1 ARG A 59 10.693 4.558 -4.196 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.763 6.507 -3.626 1.00 0.00 N ATOM 0 H ARG A 59 4.815 5.809 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 59 6.544 7.286 1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.277 6.205 -0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.930 5.085 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.412 5.537 -2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.383 6.996 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.748 4.393 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.280 4.689 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 59 9.762 6.898 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.893 3.931 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.471 4.312 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.787 7.381 -3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.539 6.258 -4.239 1.00 0.00 H new ATOM 946 N LYS A 60 5.875 8.741 -1.764 1.00 0.00 N ATOM 947 CA LYS A 60 6.049 9.964 -2.538 1.00 0.00 C ATOM 948 C LYS A 60 5.381 11.147 -1.844 1.00 0.00 C ATOM 949 O LYS A 60 5.827 12.287 -1.971 1.00 0.00 O ATOM 950 CB LYS A 60 5.470 9.790 -3.943 1.00 0.00 C ATOM 951 CG LYS A 60 3.953 9.850 -3.988 1.00 0.00 C ATOM 952 CD LYS A 60 3.438 9.893 -5.417 1.00 0.00 C ATOM 953 CE LYS A 60 1.970 10.288 -5.468 1.00 0.00 C ATOM 954 NZ LYS A 60 1.756 11.689 -5.014 1.00 0.00 N ATOM 0 H LYS A 60 5.124 8.136 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 60 7.117 10.166 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.875 10.566 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.799 8.833 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.538 8.981 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.607 10.732 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.028 10.604 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.570 8.916 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.599 10.176 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.390 9.611 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.849 12.039 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.741 11.719 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.528 12.290 -5.366 1.00 0.00 H new ATOM 968 N LYS A 61 4.310 10.867 -1.109 1.00 0.00 N ATOM 969 CA LYS A 61 3.580 11.907 -0.393 1.00 0.00 C ATOM 970 C LYS A 61 4.440 12.509 0.714 1.00 0.00 C ATOM 971 O LYS A 61 4.258 13.666 1.095 1.00 0.00 O ATOM 972 CB LYS A 61 2.291 11.337 0.202 1.00 0.00 C ATOM 973 CG LYS A 61 1.179 12.362 0.340 1.00 0.00 C ATOM 974 CD LYS A 61 0.242 12.018 1.486 1.00 0.00 C ATOM 975 CE LYS A 61 -0.829 11.029 1.052 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.858 10.828 2.109 1.00 0.00 N ATOM 0 H LYS A 61 3.928 9.928 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 61 3.327 12.694 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.942 10.517 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.509 10.916 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.611 13.349 0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.613 12.414 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.815 11.596 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.230 12.928 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.309 11.389 0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.364 10.073 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.570 10.147 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.404 10.460 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.319 11.736 2.321 1.00 0.00 H new