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= -0.905 K(o=-0.9,f=-2.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -114:sc= -2.48! USER MOD Single : A 28 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.08) USER MOD Single : A 29 ASN : amide:sc= -3.09! C(o=-3.1!,f=-2.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -71:sc= 1.12 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc=-0.00448 (180deg=-0.107) USER MOD Single : A 46 MET CE :methyl -146:sc= -3.19! (180deg=-5.38!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00473 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.208 4.614 1.803 1.00 0.00 N ATOM 175 CA ARG A 14 -7.303 3.206 2.169 1.00 0.00 C ATOM 176 C ARG A 14 -8.057 3.036 3.484 1.00 0.00 C ATOM 177 O ARG A 14 -8.538 4.008 4.066 1.00 0.00 O ATOM 178 CB ARG A 14 -5.907 2.592 2.285 1.00 0.00 C ATOM 179 CG ARG A 14 -5.166 2.509 0.961 1.00 0.00 C ATOM 180 CD ARG A 14 -5.629 1.317 0.137 1.00 0.00 C ATOM 181 NE ARG A 14 -5.416 1.524 -1.293 1.00 0.00 N ATOM 182 CZ ARG A 14 -6.028 2.470 -1.998 1.00 0.00 C ATOM 183 NH1 ARG A 14 -6.886 3.290 -1.408 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.782 2.596 -3.296 1.00 0.00 N ATOM 0 HA ARG A 14 -7.855 2.689 1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.317 3.183 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.994 1.591 2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.325 3.427 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.095 2.430 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.092 0.424 0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.688 1.137 0.323 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.762 0.909 -1.777 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.078 3.196 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.354 4.015 -1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.123 1.966 -3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.252 3.322 -3.836 1.00 0.00 H new ATOM 198 N ALA A 15 -8.156 1.794 3.948 1.00 0.00 N ATOM 199 CA ALA A 15 -8.849 1.497 5.195 1.00 0.00 C ATOM 200 C ALA A 15 -7.872 1.432 6.364 1.00 0.00 C ATOM 201 O ALA A 15 -6.657 1.346 6.185 1.00 0.00 O ATOM 202 CB ALA A 15 -9.617 0.189 5.073 1.00 0.00 C ATOM 0 H ALA A 15 -7.765 0.978 3.478 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.555 2.304 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.130 -0.021 6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.349 0.271 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.923 -0.621 4.850 1.00 0.00 H new ATOM 208 N PRO A 16 -8.413 1.474 7.591 1.00 0.00 N ATOM 209 CA PRO A 16 -7.606 1.421 8.813 1.00 0.00 C ATOM 210 C PRO A 16 -6.974 0.051 9.032 1.00 0.00 C ATOM 211 O PRO A 16 -5.868 -0.055 9.562 1.00 0.00 O ATOM 212 CB PRO A 16 -8.618 1.726 9.920 1.00 0.00 C ATOM 213 CG PRO A 16 -9.933 1.308 9.356 1.00 0.00 C ATOM 214 CD PRO A 16 -9.853 1.576 7.879 1.00 0.00 C ATOM 0 HA PRO A 16 -6.768 2.118 8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.385 1.176 10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.616 2.785 10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.124 0.253 9.552 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.749 1.869 9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.430 0.849 7.307 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.244 2.562 7.628 1.00 0.00 H new ATOM 222 N GLU A 17 -7.683 -0.996 8.621 1.00 0.00 N ATOM 223 CA GLU A 17 -7.190 -2.360 8.773 1.00 0.00 C ATOM 224 C GLU A 17 -6.074 -2.649 7.773 1.00 0.00 C ATOM 225 O GLU A 17 -4.993 -3.101 8.149 1.00 0.00 O ATOM 226 CB GLU A 17 -8.331 -3.362 8.586 1.00 0.00 C ATOM 227 CG GLU A 17 -9.436 -3.226 9.620 1.00 0.00 C ATOM 228 CD GLU A 17 -10.436 -4.365 9.558 1.00 0.00 C ATOM 229 OE1 GLU A 17 -11.143 -4.478 8.535 1.00 0.00 O ATOM 230 OE2 GLU A 17 -10.511 -5.142 10.533 1.00 0.00 O ATOM 0 H GLU A 17 -8.600 -0.926 8.180 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.787 -2.464 9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.758 -3.232 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.926 -4.373 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.994 -3.189 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.957 -2.281 9.467 1.00 0.00 H new ATOM 237 N GLN A 18 -6.347 -2.386 6.499 1.00 0.00 N ATOM 238 CA GLN A 18 -5.367 -2.620 5.445 1.00 0.00 C ATOM 239 C GLN A 18 -4.113 -1.781 5.671 1.00 0.00 C ATOM 240 O GLN A 18 -2.995 -2.296 5.639 1.00 0.00 O ATOM 241 CB GLN A 18 -5.971 -2.298 4.077 1.00 0.00 C ATOM 242 CG GLN A 18 -7.308 -2.978 3.827 1.00 0.00 C ATOM 243 CD GLN A 18 -7.969 -2.511 2.546 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.947 -1.763 2.575 1.00 0.00 O ATOM 245 NE2 GLN A 18 -7.437 -2.950 1.411 1.00 0.00 N ATOM 0 H GLN A 18 -7.238 -2.011 6.172 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.087 -3.673 5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.100 -1.219 3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.269 -2.598 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.160 -4.057 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.974 -2.782 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.626 -3.569 1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.839 -2.668 0.517 1.00 0.00 H new ATOM 254 N LEU A 19 -4.307 -0.487 5.899 1.00 0.00 N ATOM 255 CA LEU A 19 -3.192 0.425 6.130 1.00 0.00 C ATOM 256 C LEU A 19 -2.265 -0.113 7.214 1.00 0.00 C ATOM 257 O LEU A 19 -1.049 -0.174 7.031 1.00 0.00 O ATOM 258 CB LEU A 19 -3.712 1.808 6.527 1.00 0.00 C ATOM 259 CG LEU A 19 -4.004 2.771 5.376 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.559 4.084 5.907 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.747 3.015 4.554 1.00 0.00 C ATOM 0 H LEU A 19 -5.226 -0.045 5.929 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.626 0.510 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.626 1.678 7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.980 2.274 7.187 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.755 2.318 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.761 4.757 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.483 3.894 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.831 4.543 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.973 3.703 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.975 3.447 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.392 2.070 4.143 1.00 0.00 H new ATOM 273 N ARG A 20 -2.847 -0.505 8.343 1.00 0.00 N ATOM 274 CA ARG A 20 -2.073 -1.039 9.457 1.00 0.00 C ATOM 275 C ARG A 20 -0.935 -1.923 8.954 1.00 0.00 C ATOM 276 O ARG A 20 0.191 -1.841 9.443 1.00 0.00 O ATOM 277 CB ARG A 20 -2.977 -1.839 10.397 1.00 0.00 C ATOM 278 CG ARG A 20 -2.228 -2.513 11.535 1.00 0.00 C ATOM 279 CD ARG A 20 -3.174 -3.270 12.453 1.00 0.00 C ATOM 280 NE ARG A 20 -2.458 -4.155 13.368 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.005 -5.224 13.936 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.268 -5.538 13.685 1.00 0.00 N ATOM 283 NH2 ARG A 20 -2.289 -5.980 14.758 1.00 0.00 N ATOM 0 H ARG A 20 -3.852 -0.463 8.510 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.644 -0.199 10.004 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.733 -1.173 10.814 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.505 -2.599 9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.487 -3.201 11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.685 -1.763 12.109 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.768 -2.559 13.027 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.870 -3.856 11.853 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.484 -3.940 13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.822 -4.958 13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.686 -6.359 14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.317 -5.741 14.955 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.710 -6.801 15.193 1.00 0.00 H new ATOM 297 N ALA A 21 -1.239 -2.769 7.974 1.00 0.00 N ATOM 298 CA ALA A 21 -0.242 -3.666 7.404 1.00 0.00 C ATOM 299 C ALA A 21 0.726 -2.910 6.500 1.00 0.00 C ATOM 300 O ALA A 21 1.929 -3.173 6.502 1.00 0.00 O ATOM 301 CB ALA A 21 -0.921 -4.787 6.632 1.00 0.00 C ATOM 0 H ALA A 21 -2.167 -2.851 7.559 1.00 0.00 H new ATOM 0 HA ALA A 21 0.331 -4.099 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.164 -5.449 6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.566 -5.353 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.520 -4.363 5.826 1.00 0.00 H new ATOM 307 N LEU A 22 0.193 -1.969 5.728 1.00 0.00 N ATOM 308 CA LEU A 22 1.010 -1.174 4.817 1.00 0.00 C ATOM 309 C LEU A 22 1.951 -0.256 5.591 1.00 0.00 C ATOM 310 O LEU A 22 3.171 -0.406 5.525 1.00 0.00 O ATOM 311 CB LEU A 22 0.117 -0.344 3.892 1.00 0.00 C ATOM 312 CG LEU A 22 -0.817 -1.134 2.975 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.610 -0.193 2.082 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.026 -2.128 2.137 1.00 0.00 C ATOM 0 H LEU A 22 -0.800 -1.738 5.715 1.00 0.00 H new ATOM 0 HA LEU A 22 1.610 -1.857 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.488 0.323 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.756 0.285 3.272 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.519 -1.690 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.269 -0.773 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.206 0.479 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.924 0.391 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.707 -2.682 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.700 -1.592 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.496 -2.823 2.794 1.00 0.00 H new ATOM 326 N GLU A 23 1.376 0.691 6.325 1.00 0.00 N ATOM 327 CA GLU A 23 2.165 1.631 7.112 1.00 0.00 C ATOM 328 C GLU A 23 3.240 0.902 7.913 1.00 0.00 C ATOM 329 O GLU A 23 4.410 1.284 7.894 1.00 0.00 O ATOM 330 CB GLU A 23 1.260 2.426 8.056 1.00 0.00 C ATOM 331 CG GLU A 23 0.323 3.382 7.338 1.00 0.00 C ATOM 332 CD GLU A 23 -0.250 4.440 8.262 1.00 0.00 C ATOM 333 OE1 GLU A 23 0.537 5.080 8.991 1.00 0.00 O ATOM 334 OE2 GLU A 23 -1.484 4.628 8.256 1.00 0.00 O ATOM 0 H GLU A 23 0.367 0.828 6.391 1.00 0.00 H new ATOM 0 HA GLU A 23 2.654 2.320 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.669 1.730 8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.881 2.992 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.860 3.868 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.493 2.816 6.889 1.00 0.00 H new ATOM 341 N SER A 24 2.833 -0.149 8.618 1.00 0.00 N ATOM 342 CA SER A 24 3.759 -0.929 9.430 1.00 0.00 C ATOM 343 C SER A 24 4.896 -1.483 8.577 1.00 0.00 C ATOM 344 O SER A 24 6.049 -1.517 9.006 1.00 0.00 O ATOM 345 CB SER A 24 3.020 -2.076 10.123 1.00 0.00 C ATOM 346 OG SER A 24 3.932 -2.992 10.705 1.00 0.00 O ATOM 0 H SER A 24 1.868 -0.480 8.643 1.00 0.00 H new ATOM 0 HA SER A 24 4.184 -0.270 10.187 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.361 -1.675 10.893 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.389 -2.595 9.401 1.00 0.00 H new ATOM 0 HG SER A 24 3.435 -3.715 11.143 1.00 0.00 H new ATOM 352 N SER A 25 4.561 -1.917 7.366 1.00 0.00 N ATOM 353 CA SER A 25 5.552 -2.473 6.453 1.00 0.00 C ATOM 354 C SER A 25 6.416 -1.369 5.850 1.00 0.00 C ATOM 355 O SER A 25 7.581 -1.589 5.518 1.00 0.00 O ATOM 356 CB SER A 25 4.863 -3.263 5.338 1.00 0.00 C ATOM 357 OG SER A 25 5.779 -4.121 4.680 1.00 0.00 O ATOM 0 H SER A 25 3.611 -1.894 6.995 1.00 0.00 H new ATOM 0 HA SER A 25 6.196 -3.145 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.046 -3.850 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.424 -2.573 4.617 1.00 0.00 H new ATOM 0 HG SER A 25 5.896 -3.825 3.753 1.00 0.00 H new ATOM 363 N PHE A 26 5.836 -0.182 5.713 1.00 0.00 N ATOM 364 CA PHE A 26 6.551 0.958 5.150 1.00 0.00 C ATOM 365 C PHE A 26 7.741 1.340 6.025 1.00 0.00 C ATOM 366 O PHE A 26 8.877 1.399 5.557 1.00 0.00 O ATOM 367 CB PHE A 26 5.609 2.154 4.998 1.00 0.00 C ATOM 368 CG PHE A 26 6.213 3.300 4.239 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.793 3.097 2.997 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.201 4.581 4.766 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.350 4.150 2.296 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.756 5.639 4.070 1.00 0.00 C ATOM 373 CZ PHE A 26 7.331 5.422 2.833 1.00 0.00 C ATOM 0 H PHE A 26 4.873 0.016 5.984 1.00 0.00 H new ATOM 0 HA PHE A 26 6.924 0.672 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.702 1.829 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.312 2.501 5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.810 2.104 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.752 4.756 5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.800 3.978 1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.740 6.633 4.493 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.765 6.246 2.286 1.00 0.00 H new ATOM 383 N ALA A 27 7.470 1.601 7.300 1.00 0.00 N ATOM 384 CA ALA A 27 8.517 1.976 8.242 1.00 0.00 C ATOM 385 C ALA A 27 9.764 1.121 8.047 1.00 0.00 C ATOM 386 O ALA A 27 10.887 1.615 8.144 1.00 0.00 O ATOM 387 CB ALA A 27 8.009 1.853 9.672 1.00 0.00 C ATOM 0 H ALA A 27 6.534 1.560 7.704 1.00 0.00 H new ATOM 0 HA ALA A 27 8.787 3.015 8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.801 2.136 10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.152 2.512 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.710 0.823 9.864 1.00 0.00 H new ATOM 393 N GLN A 28 9.559 -0.163 7.771 1.00 0.00 N ATOM 394 CA GLN A 28 10.668 -1.086 7.563 1.00 0.00 C ATOM 395 C GLN A 28 11.323 -0.853 6.206 1.00 0.00 C ATOM 396 O GLN A 28 12.538 -0.687 6.113 1.00 0.00 O ATOM 397 CB GLN A 28 10.181 -2.532 7.666 1.00 0.00 C ATOM 398 CG GLN A 28 10.002 -3.013 9.097 1.00 0.00 C ATOM 399 CD GLN A 28 11.322 -3.225 9.812 1.00 0.00 C ATOM 400 OE1 GLN A 28 11.692 -2.454 10.697 1.00 0.00 O ATOM 401 NE2 GLN A 28 12.040 -4.275 9.430 1.00 0.00 N ATOM 0 H GLN A 28 8.635 -0.587 7.686 1.00 0.00 H new ATOM 0 HA GLN A 28 11.410 -0.904 8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.232 -2.625 7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.893 -3.183 7.159 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.407 -2.285 9.649 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.441 -3.947 9.094 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.694 -4.888 8.692 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.937 -4.468 9.875 1.00 0.00 H new ATOM 410 N ASN A 29 10.509 -0.842 5.155 1.00 0.00 N ATOM 411 CA ASN A 29 11.010 -0.630 3.802 1.00 0.00 C ATOM 412 C ASN A 29 9.935 -0.010 2.915 1.00 0.00 C ATOM 413 O ASN A 29 8.756 -0.358 2.989 1.00 0.00 O ATOM 414 CB ASN A 29 11.484 -1.953 3.198 1.00 0.00 C ATOM 415 CG ASN A 29 12.536 -1.755 2.124 1.00 0.00 C ATOM 416 OD1 ASN A 29 13.653 -1.322 2.406 1.00 0.00 O ATOM 417 ND2 ASN A 29 12.182 -2.071 0.884 1.00 0.00 N ATOM 0 H ASN A 29 9.500 -0.977 5.215 1.00 0.00 H new ATOM 0 HA ASN A 29 11.853 0.059 3.857 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.890 -2.585 3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.631 -2.482 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.847 -1.958 0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.245 -2.427 0.696 1.00 0.00 H new ATOM 424 N PRO A 30 10.349 0.932 2.054 1.00 0.00 N ATOM 425 CA PRO A 30 9.437 1.621 1.135 1.00 0.00 C ATOM 426 C PRO A 30 8.922 0.701 0.033 1.00 0.00 C ATOM 427 O PRO A 30 7.717 0.624 -0.213 1.00 0.00 O ATOM 428 CB PRO A 30 10.305 2.733 0.541 1.00 0.00 C ATOM 429 CG PRO A 30 11.701 2.226 0.658 1.00 0.00 C ATOM 430 CD PRO A 30 11.738 1.398 1.912 1.00 0.00 C ATOM 0 HA PRO A 30 8.544 1.985 1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.041 2.929 -0.498 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.177 3.669 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.973 1.629 -0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.412 3.050 0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.434 0.564 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.054 1.987 2.773 1.00 0.00 H new ATOM 438 N LEU A 31 9.840 0.005 -0.627 1.00 0.00 N ATOM 439 CA LEU A 31 9.479 -0.911 -1.704 1.00 0.00 C ATOM 440 C LEU A 31 9.919 -2.335 -1.379 1.00 0.00 C ATOM 441 O LEU A 31 10.965 -2.805 -1.826 1.00 0.00 O ATOM 442 CB LEU A 31 10.112 -0.457 -3.020 1.00 0.00 C ATOM 443 CG LEU A 31 9.549 0.827 -3.629 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.249 1.149 -4.939 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.047 0.703 -3.841 1.00 0.00 C ATOM 0 H LEU A 31 10.841 0.057 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 31 8.394 -0.901 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.181 -0.320 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.001 -1.260 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 31 9.731 1.646 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.834 2.066 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.316 1.282 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.100 0.330 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.663 1.626 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.842 -0.128 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.558 0.522 -2.884 1.00 0.00 H new ATOM 457 N PRO A 32 9.101 -3.040 -0.583 1.00 0.00 N ATOM 458 CA PRO A 32 9.384 -4.421 -0.182 1.00 0.00 C ATOM 459 C PRO A 32 9.256 -5.400 -1.345 1.00 0.00 C ATOM 460 O PRO A 32 8.351 -5.282 -2.172 1.00 0.00 O ATOM 461 CB PRO A 32 8.318 -4.709 0.878 1.00 0.00 C ATOM 462 CG PRO A 32 7.198 -3.782 0.550 1.00 0.00 C ATOM 463 CD PRO A 32 7.837 -2.543 -0.013 1.00 0.00 C ATOM 0 HA PRO A 32 10.406 -4.539 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.995 -5.749 0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.700 -4.529 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.517 -4.233 -0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.611 -3.549 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.209 -2.077 -0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.012 -1.794 0.760 1.00 0.00 H new ATOM 471 N LEU A 33 10.167 -6.365 -1.402 1.00 0.00 N ATOM 472 CA LEU A 33 10.156 -7.365 -2.464 1.00 0.00 C ATOM 473 C LEU A 33 8.805 -8.070 -2.534 1.00 0.00 C ATOM 474 O LEU A 33 7.881 -7.737 -1.792 1.00 0.00 O ATOM 475 CB LEU A 33 11.268 -8.391 -2.237 1.00 0.00 C ATOM 476 CG LEU A 33 12.699 -7.868 -2.364 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.696 -8.930 -1.927 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.981 -7.425 -3.792 1.00 0.00 C ATOM 0 H LEU A 33 10.922 -6.476 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 33 10.329 -6.855 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.145 -8.816 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.135 -9.205 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 33 12.809 -7.004 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.709 -8.540 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.509 -9.199 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.586 -9.813 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.004 -7.056 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.853 -8.271 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.288 -6.630 -4.070 1.00 0.00 H new ATOM 490 N ASP A 34 8.699 -9.046 -3.429 1.00 0.00 N ATOM 491 CA ASP A 34 7.462 -9.801 -3.594 1.00 0.00 C ATOM 492 C ASP A 34 7.119 -10.568 -2.321 1.00 0.00 C ATOM 493 O ASP A 34 6.042 -10.394 -1.752 1.00 0.00 O ATOM 494 CB ASP A 34 7.584 -10.771 -4.771 1.00 0.00 C ATOM 495 CG ASP A 34 9.007 -11.249 -4.981 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.415 -12.215 -4.301 1.00 0.00 O ATOM 497 OD2 ASP A 34 9.712 -10.660 -5.826 1.00 0.00 O ATOM 0 H ASP A 34 9.454 -9.333 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 34 6.659 -9.093 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.937 -11.631 -4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.230 -10.283 -5.679 1.00 0.00 H new ATOM 502 N GLU A 35 8.043 -11.416 -1.880 1.00 0.00 N ATOM 503 CA GLU A 35 7.837 -12.210 -0.675 1.00 0.00 C ATOM 504 C GLU A 35 7.180 -11.376 0.421 1.00 0.00 C ATOM 505 O GLU A 35 6.032 -11.615 0.793 1.00 0.00 O ATOM 506 CB GLU A 35 9.169 -12.773 -0.174 1.00 0.00 C ATOM 507 CG GLU A 35 9.881 -13.648 -1.191 1.00 0.00 C ATOM 508 CD GLU A 35 9.469 -15.104 -1.098 1.00 0.00 C ATOM 509 OE1 GLU A 35 8.284 -15.367 -0.806 1.00 0.00 O ATOM 510 OE2 GLU A 35 10.331 -15.980 -1.317 1.00 0.00 O ATOM 0 H GLU A 35 8.941 -11.570 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 35 7.173 -13.037 -0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.823 -11.946 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.991 -13.354 0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.670 -13.278 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.958 -13.569 -1.042 1.00 0.00 H new ATOM 517 N GLU A 36 7.918 -10.397 0.934 1.00 0.00 N ATOM 518 CA GLU A 36 7.408 -9.528 1.988 1.00 0.00 C ATOM 519 C GLU A 36 6.028 -8.987 1.627 1.00 0.00 C ATOM 520 O GLU A 36 5.192 -8.752 2.501 1.00 0.00 O ATOM 521 CB GLU A 36 8.374 -8.367 2.235 1.00 0.00 C ATOM 522 CG GLU A 36 7.885 -7.381 3.282 1.00 0.00 C ATOM 523 CD GLU A 36 7.383 -8.065 4.539 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.057 -9.002 5.014 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.315 -7.662 5.046 1.00 0.00 O ATOM 0 H GLU A 36 8.871 -10.186 0.637 1.00 0.00 H new ATOM 0 HA GLU A 36 7.321 -10.119 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.338 -8.768 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.539 -7.836 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.696 -6.701 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.084 -6.775 2.859 1.00 0.00 H new ATOM 532 N LEU A 37 5.796 -8.791 0.334 1.00 0.00 N ATOM 533 CA LEU A 37 4.517 -8.277 -0.145 1.00 0.00 C ATOM 534 C LEU A 37 3.455 -9.373 -0.143 1.00 0.00 C ATOM 535 O LEU A 37 2.265 -9.096 0.006 1.00 0.00 O ATOM 536 CB LEU A 37 4.671 -7.703 -1.554 1.00 0.00 C ATOM 537 CG LEU A 37 5.087 -6.234 -1.638 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.312 -5.825 -3.086 1.00 0.00 C ATOM 539 CD2 LEU A 37 4.039 -5.344 -0.987 1.00 0.00 C ATOM 0 H LEU A 37 6.477 -8.980 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 37 4.196 -7.484 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.409 -8.300 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.723 -7.822 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 37 6.025 -6.111 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.607 -4.777 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.100 -6.441 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.390 -5.964 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.352 -4.302 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.085 -5.471 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.928 -5.620 0.062 1.00 0.00 H new ATOM 551 N ASP A 38 3.894 -10.615 -0.307 1.00 0.00 N ATOM 552 CA ASP A 38 2.982 -11.753 -0.321 1.00 0.00 C ATOM 553 C ASP A 38 2.296 -11.917 1.031 1.00 0.00 C ATOM 554 O ASP A 38 1.123 -12.281 1.104 1.00 0.00 O ATOM 555 CB ASP A 38 3.736 -13.034 -0.684 1.00 0.00 C ATOM 556 CG ASP A 38 2.806 -14.214 -0.889 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.370 -14.807 0.119 1.00 0.00 O ATOM 558 OD2 ASP A 38 2.517 -14.545 -2.058 1.00 0.00 O ATOM 0 H ASP A 38 4.876 -10.860 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 38 2.218 -11.565 -1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.313 -12.867 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.448 -13.269 0.107 1.00 0.00 H new ATOM 563 N ARG A 39 3.037 -11.646 2.101 1.00 0.00 N ATOM 564 CA ARG A 39 2.502 -11.765 3.452 1.00 0.00 C ATOM 565 C ARG A 39 1.462 -10.682 3.722 1.00 0.00 C ATOM 566 O ARG A 39 0.378 -10.960 4.237 1.00 0.00 O ATOM 567 CB ARG A 39 3.630 -11.673 4.481 1.00 0.00 C ATOM 568 CG ARG A 39 3.163 -11.862 5.915 1.00 0.00 C ATOM 569 CD ARG A 39 4.302 -12.313 6.817 1.00 0.00 C ATOM 570 NE ARG A 39 3.817 -13.019 7.999 1.00 0.00 N ATOM 571 CZ ARG A 39 4.544 -13.202 9.095 1.00 0.00 C ATOM 572 NH1 ARG A 39 5.783 -12.733 9.159 1.00 0.00 N ATOM 573 NH2 ARG A 39 4.033 -13.855 10.131 1.00 0.00 N ATOM 0 H ARG A 39 4.010 -11.342 2.058 1.00 0.00 H new ATOM 0 HA ARG A 39 2.019 -12.738 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.383 -12.427 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.114 -10.701 4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.749 -10.926 6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.361 -12.600 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.973 -12.964 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.885 -11.445 7.127 1.00 0.00 H new ATOM 0 HE ARG A 39 2.868 -13.392 7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.180 -12.230 8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.339 -12.875 10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.081 -14.217 10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.593 -13.995 10.972 1.00 0.00 H new ATOM 587 N LEU A 40 1.799 -9.445 3.372 1.00 0.00 N ATOM 588 CA LEU A 40 0.895 -8.319 3.577 1.00 0.00 C ATOM 589 C LEU A 40 -0.410 -8.522 2.814 1.00 0.00 C ATOM 590 O LEU A 40 -1.478 -8.118 3.273 1.00 0.00 O ATOM 591 CB LEU A 40 1.563 -7.017 3.131 1.00 0.00 C ATOM 592 CG LEU A 40 2.807 -6.598 3.914 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.644 -5.620 3.104 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.416 -5.987 5.252 1.00 0.00 C ATOM 0 H LEU A 40 2.691 -9.197 2.945 1.00 0.00 H new ATOM 0 HA LEU A 40 0.666 -8.257 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.835 -7.113 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.829 -6.214 3.198 1.00 0.00 H new ATOM 0 HG LEU A 40 3.408 -7.487 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.525 -5.333 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.956 -6.092 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.052 -4.733 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.315 -5.695 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.793 -5.109 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.860 -6.719 5.838 1.00 0.00 H new ATOM 606 N ARG A 41 -0.315 -9.151 1.647 1.00 0.00 N ATOM 607 CA ARG A 41 -1.488 -9.409 0.821 1.00 0.00 C ATOM 608 C ARG A 41 -2.522 -10.232 1.585 1.00 0.00 C ATOM 609 O ARG A 41 -3.666 -10.367 1.151 1.00 0.00 O ATOM 610 CB ARG A 41 -1.085 -10.140 -0.461 1.00 0.00 C ATOM 611 CG ARG A 41 -0.533 -9.222 -1.539 1.00 0.00 C ATOM 612 CD ARG A 41 -0.575 -9.881 -2.908 1.00 0.00 C ATOM 613 NE ARG A 41 -1.937 -10.224 -3.309 1.00 0.00 N ATOM 614 CZ ARG A 41 -2.233 -10.857 -4.439 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.268 -11.214 -5.275 1.00 0.00 N ATOM 616 NH2 ARG A 41 -3.496 -11.135 -4.734 1.00 0.00 N ATOM 0 H ARG A 41 0.562 -9.491 1.253 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.934 -8.450 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.336 -10.894 -0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.953 -10.669 -0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.110 -8.298 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.494 -8.951 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.138 -9.210 -3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.037 -10.783 -2.895 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.703 -9.963 -2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.295 -11.003 -5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.498 -11.700 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.241 -10.863 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.722 -11.621 -5.602 1.00 0.00 H new ATOM 630 N SER A 42 -2.110 -10.779 2.724 1.00 0.00 N ATOM 631 CA SER A 42 -2.998 -11.592 3.547 1.00 0.00 C ATOM 632 C SER A 42 -3.789 -10.720 4.517 1.00 0.00 C ATOM 633 O SER A 42 -4.962 -10.979 4.786 1.00 0.00 O ATOM 634 CB SER A 42 -2.195 -12.638 4.322 1.00 0.00 C ATOM 635 OG SER A 42 -3.007 -13.743 4.678 1.00 0.00 O ATOM 0 H SER A 42 -1.167 -10.674 3.098 1.00 0.00 H new ATOM 0 HA SER A 42 -3.701 -12.100 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.356 -12.980 3.716 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.776 -12.186 5.221 1.00 0.00 H new ATOM 0 HG SER A 42 -2.470 -14.398 5.171 1.00 0.00 H new ATOM 641 N GLU A 43 -3.138 -9.685 5.039 1.00 0.00 N ATOM 642 CA GLU A 43 -3.781 -8.775 5.980 1.00 0.00 C ATOM 643 C GLU A 43 -4.531 -7.669 5.242 1.00 0.00 C ATOM 644 O GLU A 43 -5.651 -7.312 5.607 1.00 0.00 O ATOM 645 CB GLU A 43 -2.741 -8.161 6.920 1.00 0.00 C ATOM 646 CG GLU A 43 -1.788 -9.180 7.522 1.00 0.00 C ATOM 647 CD GLU A 43 -2.366 -9.867 8.745 1.00 0.00 C ATOM 648 OE1 GLU A 43 -2.255 -9.300 9.852 1.00 0.00 O ATOM 649 OE2 GLU A 43 -2.929 -10.971 8.594 1.00 0.00 O ATOM 0 H GLU A 43 -2.167 -9.456 4.827 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.499 -9.348 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.164 -7.416 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.256 -7.637 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.542 -9.930 6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.856 -8.684 7.794 1.00 0.00 H new ATOM 656 N THR A 44 -3.904 -7.130 4.201 1.00 0.00 N ATOM 657 CA THR A 44 -4.510 -6.064 3.412 1.00 0.00 C ATOM 658 C THR A 44 -5.527 -6.622 2.424 1.00 0.00 C ATOM 659 O THR A 44 -6.394 -5.899 1.933 1.00 0.00 O ATOM 660 CB THR A 44 -3.446 -5.263 2.639 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.598 -6.154 1.906 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.606 -4.422 3.589 1.00 0.00 C ATOM 0 H THR A 44 -2.977 -7.414 3.885 1.00 0.00 H new ATOM 0 HA THR A 44 -5.015 -5.400 4.113 1.00 0.00 H new ATOM 0 HB THR A 44 -3.958 -4.597 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.024 -6.646 2.529 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.861 -3.865 3.020 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.250 -3.724 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.104 -5.073 4.304 1.00 0.00 H new ATOM 670 N LYS A 45 -5.417 -7.915 2.134 1.00 0.00 N ATOM 671 CA LYS A 45 -6.328 -8.572 1.205 1.00 0.00 C ATOM 672 C LYS A 45 -6.359 -7.842 -0.134 1.00 0.00 C ATOM 673 O LYS A 45 -7.379 -7.831 -0.822 1.00 0.00 O ATOM 674 CB LYS A 45 -7.738 -8.632 1.798 1.00 0.00 C ATOM 675 CG LYS A 45 -7.874 -9.621 2.942 1.00 0.00 C ATOM 676 CD LYS A 45 -7.451 -9.006 4.265 1.00 0.00 C ATOM 677 CE LYS A 45 -8.089 -9.724 5.444 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.538 -9.403 5.571 1.00 0.00 N ATOM 0 H LYS A 45 -4.705 -8.528 2.530 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.967 -9.587 1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.017 -7.639 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.443 -8.900 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.908 -9.959 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.264 -10.501 2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.366 -9.048 4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.732 -7.953 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.965 -10.800 5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.573 -9.444 6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.877 -9.695 6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.678 -8.379 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.072 -9.910 4.837 1.00 0.00 H new ATOM 692 N MET A 46 -5.234 -7.235 -0.499 1.00 0.00 N ATOM 693 CA MET A 46 -5.133 -6.506 -1.757 1.00 0.00 C ATOM 694 C MET A 46 -4.254 -7.257 -2.752 1.00 0.00 C ATOM 695 O MET A 46 -3.737 -8.333 -2.450 1.00 0.00 O ATOM 696 CB MET A 46 -4.566 -5.105 -1.516 1.00 0.00 C ATOM 697 CG MET A 46 -5.525 -4.180 -0.785 1.00 0.00 C ATOM 698 SD MET A 46 -4.680 -2.826 0.054 1.00 0.00 S ATOM 699 CE MET A 46 -3.429 -2.406 -1.157 1.00 0.00 C ATOM 0 H MET A 46 -4.380 -7.234 0.059 1.00 0.00 H new ATOM 0 HA MET A 46 -6.135 -6.418 -2.177 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.645 -5.189 -0.940 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.303 -4.658 -2.475 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.242 -3.770 -1.497 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.094 -4.756 -0.055 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.522 -2.083 -0.646 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.209 -3.280 -1.771 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.794 -1.599 -1.792 1.00 0.00 H new ATOM 709 N THR A 47 -4.090 -6.685 -3.941 1.00 0.00 N ATOM 710 CA THR A 47 -3.276 -7.301 -4.980 1.00 0.00 C ATOM 711 C THR A 47 -1.943 -6.577 -5.137 1.00 0.00 C ATOM 712 O THR A 47 -1.852 -5.371 -4.911 1.00 0.00 O ATOM 713 CB THR A 47 -4.006 -7.307 -6.336 1.00 0.00 C ATOM 714 OG1 THR A 47 -4.742 -6.090 -6.502 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.951 -8.495 -6.437 1.00 0.00 C ATOM 0 H THR A 47 -4.511 -5.795 -4.208 1.00 0.00 H new ATOM 0 HA THR A 47 -3.093 -8.330 -4.669 1.00 0.00 H new ATOM 0 HB THR A 47 -3.259 -7.389 -7.125 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.202 -6.101 -7.367 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.455 -8.478 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.384 -9.421 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.692 -8.439 -5.640 1.00 0.00 H new ATOM 723 N ARG A 48 -0.913 -7.321 -5.525 1.00 0.00 N ATOM 724 CA ARG A 48 0.415 -6.750 -5.712 1.00 0.00 C ATOM 725 C ARG A 48 0.330 -5.387 -6.393 1.00 0.00 C ATOM 726 O ARG A 48 1.102 -4.479 -6.086 1.00 0.00 O ATOM 727 CB ARG A 48 1.288 -7.693 -6.541 1.00 0.00 C ATOM 728 CG ARG A 48 2.070 -8.693 -5.705 1.00 0.00 C ATOM 729 CD ARG A 48 3.432 -8.144 -5.310 1.00 0.00 C ATOM 730 NE ARG A 48 4.364 -8.131 -6.434 1.00 0.00 N ATOM 731 CZ ARG A 48 5.084 -9.184 -6.804 1.00 0.00 C ATOM 732 NH1 ARG A 48 4.978 -10.329 -6.142 1.00 0.00 N ATOM 733 NH2 ARG A 48 5.911 -9.094 -7.838 1.00 0.00 N ATOM 0 H ARG A 48 -0.973 -8.321 -5.716 1.00 0.00 H new ATOM 0 HA ARG A 48 0.867 -6.618 -4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.656 -8.236 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.987 -7.101 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.503 -8.942 -4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.198 -9.618 -6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.316 -7.131 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.846 -8.748 -4.503 1.00 0.00 H new ATOM 0 HE ARG A 48 4.468 -7.266 -6.964 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.343 -10.402 -5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.532 -11.136 -6.428 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.994 -8.215 -8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.463 -9.903 -8.121 1.00 0.00 H new ATOM 747 N ARG A 49 -0.614 -5.253 -7.320 1.00 0.00 N ATOM 748 CA ARG A 49 -0.798 -4.002 -8.046 1.00 0.00 C ATOM 749 C ARG A 49 -1.332 -2.911 -7.123 1.00 0.00 C ATOM 750 O ARG A 49 -0.850 -1.779 -7.141 1.00 0.00 O ATOM 751 CB ARG A 49 -1.759 -4.207 -9.220 1.00 0.00 C ATOM 752 CG ARG A 49 -2.372 -2.915 -9.737 1.00 0.00 C ATOM 753 CD ARG A 49 -2.687 -3.004 -11.221 1.00 0.00 C ATOM 754 NE ARG A 49 -3.755 -3.962 -11.498 1.00 0.00 N ATOM 755 CZ ARG A 49 -5.046 -3.685 -11.355 1.00 0.00 C ATOM 756 NH1 ARG A 49 -5.428 -2.485 -10.942 1.00 0.00 N ATOM 757 NH2 ARG A 49 -5.958 -4.610 -11.627 1.00 0.00 N ATOM 0 H ARG A 49 -1.262 -5.995 -7.585 1.00 0.00 H new ATOM 0 HA ARG A 49 0.173 -3.687 -8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.225 -4.698 -10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.558 -4.881 -8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.285 -2.696 -9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.685 -2.088 -9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.978 -2.020 -11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.789 -3.295 -11.765 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.495 -4.895 -11.819 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.730 -1.771 -10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.420 -2.275 -10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.668 -5.534 -11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.949 -4.397 -11.517 1.00 0.00 H new ATOM 771 N GLU A 50 -2.330 -3.260 -6.317 1.00 0.00 N ATOM 772 CA GLU A 50 -2.929 -2.310 -5.387 1.00 0.00 C ATOM 773 C GLU A 50 -1.930 -1.901 -4.308 1.00 0.00 C ATOM 774 O GLU A 50 -1.961 -0.774 -3.814 1.00 0.00 O ATOM 775 CB GLU A 50 -4.178 -2.913 -4.741 1.00 0.00 C ATOM 776 CG GLU A 50 -5.376 -2.975 -5.673 1.00 0.00 C ATOM 777 CD GLU A 50 -6.137 -1.665 -5.734 1.00 0.00 C ATOM 778 OE1 GLU A 50 -6.736 -1.278 -4.709 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.132 -1.026 -6.807 1.00 0.00 O ATOM 0 H GLU A 50 -2.741 -4.193 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.214 -1.421 -5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.947 -3.920 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.442 -2.325 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.039 -3.242 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.049 -3.766 -5.342 1.00 0.00 H new ATOM 786 N ILE A 51 -1.047 -2.826 -3.947 1.00 0.00 N ATOM 787 CA ILE A 51 -0.040 -2.563 -2.927 1.00 0.00 C ATOM 788 C ILE A 51 1.168 -1.845 -3.520 1.00 0.00 C ATOM 789 O ILE A 51 1.479 -0.715 -3.142 1.00 0.00 O ATOM 790 CB ILE A 51 0.431 -3.864 -2.251 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.754 -4.587 -1.606 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.504 -3.565 -1.215 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.394 -5.937 -1.025 1.00 0.00 C ATOM 0 H ILE A 51 -1.009 -3.764 -4.346 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.509 -1.924 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 51 0.860 -4.516 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.167 -3.959 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.538 -4.719 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.826 -4.495 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.356 -3.089 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.100 -2.897 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.281 -6.392 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.009 -6.582 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.368 -5.811 -0.256 1.00 0.00 H new ATOM 805 N ASP A 52 1.844 -2.508 -4.451 1.00 0.00 N ATOM 806 CA ASP A 52 3.017 -1.933 -5.099 1.00 0.00 C ATOM 807 C ASP A 52 2.796 -0.456 -5.412 1.00 0.00 C ATOM 808 O ASP A 52 3.682 0.372 -5.203 1.00 0.00 O ATOM 809 CB ASP A 52 3.342 -2.696 -6.384 1.00 0.00 C ATOM 810 CG ASP A 52 4.774 -2.487 -6.836 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.174 -1.318 -7.015 1.00 0.00 O ATOM 812 OD2 ASP A 52 5.495 -3.492 -7.011 1.00 0.00 O ATOM 0 H ASP A 52 1.600 -3.444 -4.774 1.00 0.00 H new ATOM 0 HA ASP A 52 3.859 -2.018 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.166 -3.760 -6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.664 -2.375 -7.175 1.00 0.00 H new ATOM 817 N SER A 53 1.608 -0.135 -5.916 1.00 0.00 N ATOM 818 CA SER A 53 1.272 1.241 -6.263 1.00 0.00 C ATOM 819 C SER A 53 1.144 2.101 -5.009 1.00 0.00 C ATOM 820 O SER A 53 1.699 3.197 -4.936 1.00 0.00 O ATOM 821 CB SER A 53 -0.032 1.284 -7.060 1.00 0.00 C ATOM 822 OG SER A 53 -0.377 2.615 -7.404 1.00 0.00 O ATOM 0 H SER A 53 0.863 -0.809 -6.093 1.00 0.00 H new ATOM 0 HA SER A 53 2.078 1.642 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.072 0.687 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.835 0.837 -6.474 1.00 0.00 H new ATOM 0 HG SER A 53 -1.214 2.615 -7.914 1.00 0.00 H new ATOM 828 N TRP A 54 0.407 1.596 -4.026 1.00 0.00 N ATOM 829 CA TRP A 54 0.205 2.317 -2.775 1.00 0.00 C ATOM 830 C TRP A 54 1.512 2.926 -2.280 1.00 0.00 C ATOM 831 O TRP A 54 1.574 4.114 -1.962 1.00 0.00 O ATOM 832 CB TRP A 54 -0.372 1.382 -1.711 1.00 0.00 C ATOM 833 CG TRP A 54 -0.592 2.052 -0.388 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.763 2.577 0.081 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.385 2.269 0.635 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.571 3.108 1.333 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.263 2.931 1.697 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.744 1.968 0.759 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.404 3.296 2.864 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.404 2.331 1.918 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.734 2.988 2.958 1.00 0.00 C ATOM 0 H TRP A 54 -0.060 0.690 -4.071 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.503 3.125 -2.961 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.319 0.978 -2.068 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.303 0.537 -1.575 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.701 2.575 -0.454 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.287 3.561 1.900 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.269 1.461 -0.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.110 3.804 3.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.455 2.104 2.024 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.278 3.257 3.852 1.00 0.00 H new ATOM 852 N PHE A 55 2.555 2.105 -2.216 1.00 0.00 N ATOM 853 CA PHE A 55 3.862 2.563 -1.758 1.00 0.00 C ATOM 854 C PHE A 55 4.397 3.670 -2.661 1.00 0.00 C ATOM 855 O PHE A 55 4.555 4.813 -2.234 1.00 0.00 O ATOM 856 CB PHE A 55 4.851 1.396 -1.721 1.00 0.00 C ATOM 857 CG PHE A 55 4.724 0.541 -0.493 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.188 0.991 0.732 1.00 0.00 C ATOM 859 CD2 PHE A 55 4.140 -0.714 -0.564 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.073 0.207 1.864 1.00 0.00 C ATOM 861 CE2 PHE A 55 4.021 -1.502 0.565 1.00 0.00 C ATOM 862 CZ PHE A 55 4.489 -1.042 1.780 1.00 0.00 C ATOM 0 H PHE A 55 2.521 1.119 -2.475 1.00 0.00 H new ATOM 0 HA PHE A 55 3.747 2.964 -0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.700 0.775 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.866 1.789 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.645 1.967 0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.774 -1.080 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.439 0.570 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.562 -2.477 0.497 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.399 -1.658 2.663 1.00 0.00 H new ATOM 872 N SER A 56 4.675 3.321 -3.913 1.00 0.00 N ATOM 873 CA SER A 56 5.197 4.283 -4.877 1.00 0.00 C ATOM 874 C SER A 56 4.410 5.589 -4.822 1.00 0.00 C ATOM 875 O SER A 56 4.952 6.663 -5.079 1.00 0.00 O ATOM 876 CB SER A 56 5.144 3.701 -6.291 1.00 0.00 C ATOM 877 OG SER A 56 6.024 2.598 -6.422 1.00 0.00 O ATOM 0 H SER A 56 4.548 2.379 -4.284 1.00 0.00 H new ATOM 0 HA SER A 56 6.235 4.493 -4.617 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.126 3.387 -6.520 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.411 4.471 -7.015 1.00 0.00 H new ATOM 0 HG SER A 56 5.970 2.243 -7.334 1.00 0.00 H new ATOM 883 N GLU A 57 3.128 5.486 -4.485 1.00 0.00 N ATOM 884 CA GLU A 57 2.266 6.658 -4.397 1.00 0.00 C ATOM 885 C GLU A 57 2.310 7.262 -2.996 1.00 0.00 C ATOM 886 O GLU A 57 2.107 8.464 -2.820 1.00 0.00 O ATOM 887 CB GLU A 57 0.826 6.288 -4.760 1.00 0.00 C ATOM 888 CG GLU A 57 0.554 6.294 -6.255 1.00 0.00 C ATOM 889 CD GLU A 57 1.029 7.566 -6.929 1.00 0.00 C ATOM 890 OE1 GLU A 57 1.014 8.628 -6.272 1.00 0.00 O ATOM 891 OE2 GLU A 57 1.415 7.500 -8.115 1.00 0.00 O ATOM 0 H GLU A 57 2.664 4.604 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 57 2.632 7.401 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.603 5.298 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.146 6.987 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.048 5.438 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.516 6.174 -6.426 1.00 0.00 H new ATOM 898 N ARG A 58 2.576 6.420 -2.003 1.00 0.00 N ATOM 899 CA ARG A 58 2.645 6.869 -0.618 1.00 0.00 C ATOM 900 C ARG A 58 4.007 7.485 -0.313 1.00 0.00 C ATOM 901 O ARG A 58 4.110 8.678 -0.028 1.00 0.00 O ATOM 902 CB ARG A 58 2.376 5.702 0.333 1.00 0.00 C ATOM 903 CG ARG A 58 2.391 6.097 1.801 1.00 0.00 C ATOM 904 CD ARG A 58 1.025 6.584 2.260 1.00 0.00 C ATOM 905 NE ARG A 58 1.011 6.913 3.683 1.00 0.00 N ATOM 906 CZ ARG A 58 -0.102 7.072 4.390 1.00 0.00 C ATOM 907 NH1 ARG A 58 -1.286 6.931 3.809 1.00 0.00 N ATOM 908 NH2 ARG A 58 -0.033 7.371 5.681 1.00 0.00 N ATOM 0 H ARG A 58 2.747 5.423 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 58 1.880 7.632 -0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.407 5.265 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.125 4.928 0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.696 5.243 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.131 6.881 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.741 7.463 1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.279 5.815 2.058 1.00 0.00 H new ATOM 0 HE ARG A 58 1.905 7.027 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.343 6.700 2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.139 7.054 4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.876 7.479 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.889 7.493 6.223 1.00 0.00 H new ATOM 922 N ARG A 59 5.049 6.663 -0.376 1.00 0.00 N ATOM 923 CA ARG A 59 6.405 7.126 -0.105 1.00 0.00 C ATOM 924 C ARG A 59 6.679 8.450 -0.812 1.00 0.00 C ATOM 925 O ARG A 59 7.391 9.309 -0.292 1.00 0.00 O ATOM 926 CB ARG A 59 7.424 6.077 -0.552 1.00 0.00 C ATOM 927 CG ARG A 59 7.564 5.968 -2.062 1.00 0.00 C ATOM 928 CD ARG A 59 8.795 5.165 -2.451 1.00 0.00 C ATOM 929 NE ARG A 59 10.023 5.943 -2.311 1.00 0.00 N ATOM 930 CZ ARG A 59 11.239 5.434 -2.475 1.00 0.00 C ATOM 931 NH1 ARG A 59 11.389 4.153 -2.784 1.00 0.00 N ATOM 932 NH2 ARG A 59 12.308 6.206 -2.331 1.00 0.00 N ATOM 0 H ARG A 59 4.981 5.673 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 59 6.501 7.281 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.396 6.320 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.133 5.106 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.674 5.496 -2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.627 6.966 -2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.858 4.273 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.696 4.827 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 59 9.943 6.932 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.570 3.556 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.324 3.765 -2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.197 7.192 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.241 5.814 -2.457 1.00 0.00 H new ATOM 946 N LYS A 60 6.109 8.608 -2.002 1.00 0.00 N ATOM 947 CA LYS A 60 6.289 9.827 -2.782 1.00 0.00 C ATOM 948 C LYS A 60 5.470 10.973 -2.197 1.00 0.00 C ATOM 949 O LYS A 60 5.850 12.140 -2.306 1.00 0.00 O ATOM 950 CB LYS A 60 5.886 9.589 -4.239 1.00 0.00 C ATOM 951 CG LYS A 60 4.384 9.519 -4.451 1.00 0.00 C ATOM 952 CD LYS A 60 4.004 9.875 -5.878 1.00 0.00 C ATOM 953 CE LYS A 60 4.348 8.751 -6.843 1.00 0.00 C ATOM 954 NZ LYS A 60 4.473 9.242 -8.244 1.00 0.00 N ATOM 0 H LYS A 60 5.518 7.906 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 60 7.343 10.101 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.295 10.390 -4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.337 8.659 -4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.030 8.515 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.886 10.200 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.936 10.086 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.523 10.785 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.284 8.283 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.577 7.982 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.708 8.446 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.572 9.666 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.226 9.957 -8.295 1.00 0.00 H new ATOM 968 N LYS A 61 4.346 10.634 -1.576 1.00 0.00 N ATOM 969 CA LYS A 61 3.474 11.634 -0.971 1.00 0.00 C ATOM 970 C LYS A 61 4.164 12.317 0.207 1.00 0.00 C ATOM 971 O LYS A 61 4.109 13.539 0.348 1.00 0.00 O ATOM 972 CB LYS A 61 2.168 10.987 -0.505 1.00 0.00 C ATOM 973 CG LYS A 61 1.121 11.990 -0.051 1.00 0.00 C ATOM 974 CD LYS A 61 -0.256 11.354 0.042 1.00 0.00 C ATOM 975 CE LYS A 61 -1.320 12.380 0.400 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.757 13.163 -0.789 1.00 0.00 N ATOM 0 H LYS A 61 4.017 9.674 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 61 3.250 12.388 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.758 10.389 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.384 10.303 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.402 12.396 0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.090 12.827 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.507 10.885 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.243 10.564 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.180 11.874 0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.930 13.059 1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.482 13.851 -0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.941 13.667 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.153 12.518 -1.503 1.00 0.00 H new