USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 374 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 15 THR OG1 : rot 180:sc= -0.0502 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.33! C(o=-5.3!,f=-5.6!) USER MOD Single : A 23 GLN : amide:sc= -2.48! C(o=-2.5!,f=-4!) USER MOD Single : A 29 ASN : amide:sc= -2.5 K(o=-2.5,f=-0.7) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.3!) USER MOD Single : A 41 SER OG : rot -52:sc= 0.767 USER MOD Single : A 42 ASN : amide:sc= 1.07 K(o=1.1,f=-0.018) USER MOD Single : A 45 ASN : amide:sc= -0.64 K(o=-0.64,f=-2.2) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00325 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 1.18 K(o=1.2,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.230 -2.545 -10.750 1.00 0.00 N ATOM 175 CA PHE A 14 -5.649 -3.133 -9.483 1.00 0.00 C ATOM 176 C PHE A 14 -6.789 -2.331 -8.862 1.00 0.00 C ATOM 177 O PHE A 14 -6.943 -1.139 -9.130 1.00 0.00 O ATOM 178 CB PHE A 14 -4.468 -3.199 -8.512 1.00 0.00 C ATOM 179 CG PHE A 14 -3.173 -3.581 -9.168 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.420 -2.637 -9.847 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.708 -4.885 -9.106 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.227 -2.985 -10.453 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.515 -5.239 -9.709 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.775 -4.288 -10.384 1.00 0.00 C ATOM 0 HA PHE A 14 -6.005 -4.144 -9.680 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.349 -2.228 -8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.694 -3.919 -7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.769 -1.617 -9.904 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.284 -5.633 -8.581 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.650 -2.239 -10.979 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.162 -6.258 -9.652 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.156 -4.563 -10.857 1.00 0.00 H new ATOM 194 N THR A 15 -7.586 -2.994 -8.030 1.00 0.00 N ATOM 195 CA THR A 15 -8.713 -2.345 -7.371 1.00 0.00 C ATOM 196 C THR A 15 -8.443 -2.151 -5.883 1.00 0.00 C ATOM 197 O THR A 15 -7.594 -2.828 -5.304 1.00 0.00 O ATOM 198 CB THR A 15 -10.009 -3.158 -7.545 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.115 -2.444 -6.981 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.886 -4.520 -6.879 1.00 0.00 C ATOM 0 H THR A 15 -7.472 -3.980 -7.796 1.00 0.00 H new ATOM 0 HA THR A 15 -8.838 -1.371 -7.844 1.00 0.00 H new ATOM 0 HB THR A 15 -10.179 -3.306 -8.611 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.936 -2.967 -7.097 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.813 -5.077 -7.015 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.062 -5.073 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.695 -4.388 -5.814 1.00 0.00 H new ATOM 208 N ASP A 16 -9.171 -1.224 -5.271 1.00 0.00 N ATOM 209 CA ASP A 16 -9.011 -0.942 -3.849 1.00 0.00 C ATOM 210 C ASP A 16 -8.693 -2.217 -3.075 1.00 0.00 C ATOM 211 O ASP A 16 -7.804 -2.233 -2.223 1.00 0.00 O ATOM 212 CB ASP A 16 -10.279 -0.294 -3.290 1.00 0.00 C ATOM 213 CG ASP A 16 -10.762 0.863 -4.142 1.00 0.00 C ATOM 214 OD1 ASP A 16 -10.061 1.895 -4.194 1.00 0.00 O ATOM 215 OD2 ASP A 16 -11.841 0.736 -4.758 1.00 0.00 O ATOM 0 H ASP A 16 -9.878 -0.655 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.177 -0.250 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.067 -1.044 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.086 0.060 -2.277 1.00 0.00 H new ATOM 220 N TYR A 17 -9.424 -3.284 -3.376 1.00 0.00 N ATOM 221 CA TYR A 17 -9.222 -4.563 -2.707 1.00 0.00 C ATOM 222 C TYR A 17 -7.785 -5.046 -2.875 1.00 0.00 C ATOM 223 O TYR A 17 -7.111 -5.374 -1.899 1.00 0.00 O ATOM 224 CB TYR A 17 -10.191 -5.611 -3.258 1.00 0.00 C ATOM 225 CG TYR A 17 -9.765 -7.035 -2.982 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.361 -7.426 -1.711 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.766 -7.989 -3.991 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.970 -8.726 -1.454 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.378 -9.292 -3.743 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.981 -9.655 -2.473 1.00 0.00 C ATOM 231 OH TYR A 17 -8.593 -10.951 -2.222 1.00 0.00 O ATOM 0 H TYR A 17 -10.162 -3.288 -4.080 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.417 -4.421 -1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.177 -5.445 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.289 -5.472 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.353 -6.701 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.075 -7.708 -4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.658 -9.013 -0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.386 -10.022 -4.539 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.660 -11.478 -3.046 1.00 0.00 H new ATOM 241 N GLN A 18 -7.323 -5.084 -4.121 1.00 0.00 N ATOM 242 CA GLN A 18 -5.965 -5.526 -4.419 1.00 0.00 C ATOM 243 C GLN A 18 -4.940 -4.527 -3.893 1.00 0.00 C ATOM 244 O GLN A 18 -4.013 -4.896 -3.170 1.00 0.00 O ATOM 245 CB GLN A 18 -5.786 -5.713 -5.926 1.00 0.00 C ATOM 246 CG GLN A 18 -6.771 -6.697 -6.539 1.00 0.00 C ATOM 247 CD GLN A 18 -6.201 -7.418 -7.744 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.705 -6.791 -8.681 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.269 -8.744 -7.728 1.00 0.00 N ATOM 0 H GLN A 18 -7.868 -4.814 -4.940 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.803 -6.482 -3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.896 -4.747 -6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.771 -6.058 -6.123 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.063 -7.430 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.675 -6.164 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.688 -9.224 -6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.902 -9.283 -8.512 1.00 0.00 H new ATOM 258 N LEU A 19 -5.112 -3.263 -4.260 1.00 0.00 N ATOM 259 CA LEU A 19 -4.201 -2.209 -3.826 1.00 0.00 C ATOM 260 C LEU A 19 -4.067 -2.198 -2.307 1.00 0.00 C ATOM 261 O LEU A 19 -3.023 -1.829 -1.768 1.00 0.00 O ATOM 262 CB LEU A 19 -4.694 -0.847 -4.316 1.00 0.00 C ATOM 263 CG LEU A 19 -4.573 -0.590 -5.819 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.181 0.755 -6.181 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.116 -0.654 -6.255 1.00 0.00 C ATOM 0 H LEU A 19 -5.874 -2.942 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.220 -2.409 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.741 -0.738 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.139 -0.071 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.124 -1.368 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.086 0.920 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.235 0.764 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.659 1.547 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.049 -0.469 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.542 0.102 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.712 -1.641 -6.031 1.00 0.00 H new ATOM 277 N ARG A 20 -5.130 -2.606 -1.621 1.00 0.00 N ATOM 278 CA ARG A 20 -5.130 -2.643 -0.163 1.00 0.00 C ATOM 279 C ARG A 20 -4.093 -3.634 0.356 1.00 0.00 C ATOM 280 O ARG A 20 -3.320 -3.322 1.262 1.00 0.00 O ATOM 281 CB ARG A 20 -6.518 -3.022 0.357 1.00 0.00 C ATOM 282 CG ARG A 20 -6.655 -2.906 1.867 1.00 0.00 C ATOM 283 CD ARG A 20 -5.991 -4.075 2.578 1.00 0.00 C ATOM 284 NE ARG A 20 -6.556 -4.301 3.905 1.00 0.00 N ATOM 285 CZ ARG A 20 -6.415 -5.436 4.580 1.00 0.00 C ATOM 286 NH1 ARG A 20 -5.730 -6.443 4.056 1.00 0.00 N ATOM 287 NH2 ARG A 20 -6.959 -5.566 5.784 1.00 0.00 N ATOM 0 H ARG A 20 -6.002 -2.915 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.871 -1.649 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.262 -2.382 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.742 -4.046 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.206 -1.972 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.711 -2.867 2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.105 -4.977 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.921 -3.885 2.667 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.088 -3.546 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.309 -6.347 3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.624 -7.313 4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.486 -4.794 6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.850 -6.438 6.301 1.00 0.00 H new ATOM 301 N VAL A 21 -4.081 -4.830 -0.225 1.00 0.00 N ATOM 302 CA VAL A 21 -3.138 -5.866 0.178 1.00 0.00 C ATOM 303 C VAL A 21 -1.731 -5.550 -0.314 1.00 0.00 C ATOM 304 O VAL A 21 -0.754 -5.709 0.420 1.00 0.00 O ATOM 305 CB VAL A 21 -3.560 -7.247 -0.359 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.556 -8.311 0.059 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.958 -7.603 0.125 1.00 0.00 C ATOM 0 H VAL A 21 -4.714 -5.105 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.141 -5.891 1.268 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.577 -7.204 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.870 -9.280 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.573 -8.061 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.504 -8.355 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.240 -8.582 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.970 -7.628 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.667 -6.854 -0.228 1.00 0.00 H new ATOM 317 N LEU A 22 -1.632 -5.102 -1.561 1.00 0.00 N ATOM 318 CA LEU A 22 -0.343 -4.762 -2.152 1.00 0.00 C ATOM 319 C LEU A 22 0.312 -3.606 -1.403 1.00 0.00 C ATOM 320 O LEU A 22 1.504 -3.647 -1.100 1.00 0.00 O ATOM 321 CB LEU A 22 -0.517 -4.395 -3.627 1.00 0.00 C ATOM 322 CG LEU A 22 -0.987 -5.521 -4.548 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.307 -4.981 -5.933 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.065 -6.617 -4.631 1.00 0.00 C ATOM 0 H LEU A 22 -2.429 -4.966 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 22 0.306 -5.635 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.232 -3.575 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.435 -4.020 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.897 -5.950 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.640 -5.797 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.097 -4.233 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.414 -4.525 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.287 -7.410 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.993 -6.202 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.244 -7.025 -3.636 1.00 0.00 H new ATOM 336 N GLN A 23 -0.476 -2.578 -1.106 1.00 0.00 N ATOM 337 CA GLN A 23 0.028 -1.411 -0.390 1.00 0.00 C ATOM 338 C GLN A 23 0.294 -1.744 1.074 1.00 0.00 C ATOM 339 O GLN A 23 1.243 -1.238 1.673 1.00 0.00 O ATOM 340 CB GLN A 23 -0.969 -0.255 -0.490 1.00 0.00 C ATOM 341 CG GLN A 23 -0.328 1.115 -0.346 1.00 0.00 C ATOM 342 CD GLN A 23 0.543 1.225 0.889 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.066 1.079 2.015 1.00 0.00 O ATOM 344 NE2 GLN A 23 1.830 1.484 0.686 1.00 0.00 N ATOM 0 H GLN A 23 -1.465 -2.529 -1.350 1.00 0.00 H new ATOM 0 HA GLN A 23 0.969 -1.111 -0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.480 -0.309 -1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.729 -0.374 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.274 1.325 -1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.109 1.875 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.184 1.598 -0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.465 1.569 1.480 1.00 0.00 H new ATOM 353 N ASP A 24 -0.550 -2.597 1.644 1.00 0.00 N ATOM 354 CA ASP A 24 -0.406 -2.998 3.039 1.00 0.00 C ATOM 355 C ASP A 24 0.880 -3.793 3.246 1.00 0.00 C ATOM 356 O ASP A 24 1.577 -3.616 4.245 1.00 0.00 O ATOM 357 CB ASP A 24 -1.611 -3.830 3.480 1.00 0.00 C ATOM 358 CG ASP A 24 -1.497 -4.297 4.918 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.600 -5.116 5.206 1.00 0.00 O ATOM 360 OD2 ASP A 24 -2.306 -3.844 5.755 1.00 0.00 O ATOM 0 H ASP A 24 -1.341 -3.024 1.162 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.356 -2.095 3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.519 -3.239 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.709 -4.697 2.826 1.00 0.00 H new ATOM 365 N PHE A 25 1.187 -4.669 2.295 1.00 0.00 N ATOM 366 CA PHE A 25 2.388 -5.493 2.374 1.00 0.00 C ATOM 367 C PHE A 25 3.638 -4.660 2.104 1.00 0.00 C ATOM 368 O PHE A 25 4.720 -4.964 2.605 1.00 0.00 O ATOM 369 CB PHE A 25 2.306 -6.648 1.374 1.00 0.00 C ATOM 370 CG PHE A 25 3.345 -7.710 1.598 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.683 -7.450 1.353 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.982 -8.967 2.054 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.642 -8.425 1.558 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.936 -9.945 2.261 1.00 0.00 C ATOM 375 CZ PHE A 25 5.268 -9.674 2.012 1.00 0.00 C ATOM 0 H PHE A 25 0.621 -4.827 1.461 1.00 0.00 H new ATOM 0 HA PHE A 25 2.454 -5.899 3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.316 -7.101 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.414 -6.252 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.981 -6.475 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.942 -9.185 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.682 -8.210 1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.641 -10.921 2.617 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.015 -10.438 2.172 1.00 0.00 H new ATOM 385 N PHE A 26 3.479 -3.607 1.309 1.00 0.00 N ATOM 386 CA PHE A 26 4.594 -2.730 0.970 1.00 0.00 C ATOM 387 C PHE A 26 4.967 -1.843 2.154 1.00 0.00 C ATOM 388 O PHE A 26 6.130 -1.780 2.554 1.00 0.00 O ATOM 389 CB PHE A 26 4.240 -1.863 -0.239 1.00 0.00 C ATOM 390 CG PHE A 26 5.291 -0.845 -0.576 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.371 0.347 0.126 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.201 -1.080 -1.595 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.337 1.286 -0.182 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.170 -0.145 -1.907 1.00 0.00 C ATOM 395 CZ PHE A 26 7.238 1.039 -1.199 1.00 0.00 C ATOM 0 H PHE A 26 2.589 -3.340 0.888 1.00 0.00 H new ATOM 0 HA PHE A 26 5.452 -3.355 0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.080 -2.507 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.298 -1.350 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.670 0.545 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.152 -2.004 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.387 2.212 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.873 -0.340 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.995 1.771 -1.440 1.00 0.00 H new ATOM 405 N ASP A 27 3.973 -1.160 2.710 1.00 0.00 N ATOM 406 CA ASP A 27 4.195 -0.276 3.849 1.00 0.00 C ATOM 407 C ASP A 27 4.971 -0.993 4.949 1.00 0.00 C ATOM 408 O ASP A 27 5.742 -0.374 5.682 1.00 0.00 O ATOM 409 CB ASP A 27 2.860 0.231 4.396 1.00 0.00 C ATOM 410 CG ASP A 27 3.021 1.464 5.263 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.482 1.323 6.415 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.686 2.571 4.790 1.00 0.00 O ATOM 0 H ASP A 27 3.005 -1.201 2.391 1.00 0.00 H new ATOM 0 HA ASP A 27 4.785 0.575 3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.193 0.459 3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.385 -0.559 4.978 1.00 0.00 H new ATOM 417 N ALA A 28 4.760 -2.300 5.060 1.00 0.00 N ATOM 418 CA ALA A 28 5.440 -3.101 6.070 1.00 0.00 C ATOM 419 C ALA A 28 6.725 -3.708 5.517 1.00 0.00 C ATOM 420 O ALA A 28 7.756 -3.717 6.187 1.00 0.00 O ATOM 421 CB ALA A 28 4.517 -4.196 6.585 1.00 0.00 C ATOM 0 H ALA A 28 4.123 -2.827 4.462 1.00 0.00 H new ATOM 0 HA ALA A 28 5.706 -2.445 6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.038 -4.786 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.629 -3.745 7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.222 -4.842 5.758 1.00 0.00 H new ATOM 427 N ASN A 29 6.654 -4.214 4.290 1.00 0.00 N ATOM 428 CA ASN A 29 7.813 -4.824 3.647 1.00 0.00 C ATOM 429 C ASN A 29 7.797 -4.568 2.143 1.00 0.00 C ATOM 430 O ASN A 29 6.825 -4.887 1.459 1.00 0.00 O ATOM 431 CB ASN A 29 7.839 -6.329 3.919 1.00 0.00 C ATOM 432 CG ASN A 29 9.126 -6.979 3.449 1.00 0.00 C ATOM 433 OD1 ASN A 29 10.219 -6.469 3.696 1.00 0.00 O ATOM 434 ND2 ASN A 29 9.002 -8.111 2.766 1.00 0.00 N ATOM 0 H ASN A 29 5.807 -4.214 3.721 1.00 0.00 H new ATOM 0 HA ASN A 29 8.711 -4.370 4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.716 -6.505 4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.993 -6.801 3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.833 -8.593 2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.076 -8.498 2.584 1.00 0.00 H new ATOM 441 N ALA A 30 8.882 -3.992 1.635 1.00 0.00 N ATOM 442 CA ALA A 30 8.994 -3.695 0.212 1.00 0.00 C ATOM 443 C ALA A 30 10.199 -4.401 -0.401 1.00 0.00 C ATOM 444 O ALA A 30 10.583 -4.120 -1.537 1.00 0.00 O ATOM 445 CB ALA A 30 9.091 -2.193 -0.008 1.00 0.00 C ATOM 0 H ALA A 30 9.696 -3.722 2.188 1.00 0.00 H new ATOM 0 HA ALA A 30 8.097 -4.065 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.174 -1.986 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.198 -1.709 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.971 -1.806 0.506 1.00 0.00 H new ATOM 451 N TYR A 31 10.793 -5.316 0.357 1.00 0.00 N ATOM 452 CA TYR A 31 11.957 -6.059 -0.111 1.00 0.00 C ATOM 453 C TYR A 31 11.812 -7.546 0.193 1.00 0.00 C ATOM 454 O TYR A 31 12.756 -8.215 0.615 1.00 0.00 O ATOM 455 CB TYR A 31 13.230 -5.515 0.539 1.00 0.00 C ATOM 456 CG TYR A 31 13.425 -4.029 0.339 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.840 -3.110 1.200 1.00 0.00 C ATOM 458 CD2 TYR A 31 14.196 -3.545 -0.711 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.015 -1.751 1.021 1.00 0.00 C ATOM 460 CE2 TYR A 31 14.378 -2.188 -0.897 1.00 0.00 C ATOM 461 CZ TYR A 31 13.785 -1.295 -0.029 1.00 0.00 C ATOM 462 OH TYR A 31 13.963 0.057 -0.210 1.00 0.00 O ATOM 0 H TYR A 31 10.487 -5.561 1.299 1.00 0.00 H new ATOM 0 HA TYR A 31 12.027 -5.933 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.202 -5.729 1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.091 -6.044 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.238 -3.463 2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.661 -4.241 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.552 -1.050 1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.981 -1.829 -1.718 1.00 0.00 H new ATOM 0 HH TYR A 31 14.532 0.210 -0.993 1.00 0.00 H new ATOM 472 N PRO A 32 10.600 -8.079 -0.026 1.00 0.00 N ATOM 473 CA PRO A 32 10.302 -9.494 0.216 1.00 0.00 C ATOM 474 C PRO A 32 10.994 -10.412 -0.784 1.00 0.00 C ATOM 475 O PRO A 32 11.676 -9.949 -1.699 1.00 0.00 O ATOM 476 CB PRO A 32 8.782 -9.569 0.048 1.00 0.00 C ATOM 477 CG PRO A 32 8.443 -8.430 -0.850 1.00 0.00 C ATOM 478 CD PRO A 32 9.429 -7.341 -0.528 1.00 0.00 C ATOM 0 HA PRO A 32 10.654 -9.823 1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.479 -10.521 -0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.273 -9.481 1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.515 -8.724 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.420 -8.092 -0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.675 -6.748 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.037 -6.652 0.220 1.00 0.00 H new ATOM 486 N LYS A 33 10.816 -11.716 -0.605 1.00 0.00 N ATOM 487 CA LYS A 33 11.422 -12.701 -1.493 1.00 0.00 C ATOM 488 C LYS A 33 10.353 -13.481 -2.252 1.00 0.00 C ATOM 489 O LYS A 33 9.166 -13.391 -1.938 1.00 0.00 O ATOM 490 CB LYS A 33 12.301 -13.666 -0.694 1.00 0.00 C ATOM 491 CG LYS A 33 13.017 -13.011 0.474 1.00 0.00 C ATOM 492 CD LYS A 33 12.130 -12.945 1.706 1.00 0.00 C ATOM 493 CE LYS A 33 12.951 -12.786 2.976 1.00 0.00 C ATOM 494 NZ LYS A 33 13.525 -11.417 3.097 1.00 0.00 N ATOM 0 H LYS A 33 10.256 -12.116 0.148 1.00 0.00 H new ATOM 0 HA LYS A 33 12.040 -12.169 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.683 -14.482 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.041 -14.108 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.923 -13.571 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.327 -12.004 0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.437 -12.109 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.528 -13.852 1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.324 -12.995 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.757 -13.520 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.078 -11.349 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.144 -11.227 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.755 -10.718 3.117 1.00 0.00 H new ATOM 508 N ASP A 34 10.781 -14.245 -3.250 1.00 0.00 N ATOM 509 CA ASP A 34 9.860 -15.043 -4.052 1.00 0.00 C ATOM 510 C ASP A 34 8.813 -15.715 -3.170 1.00 0.00 C ATOM 511 O ASP A 34 7.611 -15.565 -3.392 1.00 0.00 O ATOM 512 CB ASP A 34 10.628 -16.099 -4.849 1.00 0.00 C ATOM 513 CG ASP A 34 9.889 -16.531 -6.100 1.00 0.00 C ATOM 514 OD1 ASP A 34 8.832 -17.183 -5.969 1.00 0.00 O ATOM 515 OD2 ASP A 34 10.367 -16.217 -7.210 1.00 0.00 O ATOM 0 H ASP A 34 11.760 -14.329 -3.524 1.00 0.00 H new ATOM 0 HA ASP A 34 9.349 -14.375 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.604 -15.702 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.806 -16.969 -4.217 1.00 0.00 H new ATOM 520 N ASP A 35 9.277 -16.455 -2.169 1.00 0.00 N ATOM 521 CA ASP A 35 8.380 -17.151 -1.253 1.00 0.00 C ATOM 522 C ASP A 35 7.266 -16.224 -0.776 1.00 0.00 C ATOM 523 O ASP A 35 6.090 -16.588 -0.804 1.00 0.00 O ATOM 524 CB ASP A 35 9.161 -17.690 -0.053 1.00 0.00 C ATOM 525 CG ASP A 35 8.545 -18.952 0.518 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.090 -19.802 -0.276 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.518 -19.089 1.759 1.00 0.00 O ATOM 0 H ASP A 35 10.269 -16.589 -1.971 1.00 0.00 H new ATOM 0 HA ASP A 35 7.929 -17.987 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.188 -17.895 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.202 -16.926 0.723 1.00 0.00 H new ATOM 532 N GLU A 36 7.644 -15.027 -0.339 1.00 0.00 N ATOM 533 CA GLU A 36 6.676 -14.051 0.146 1.00 0.00 C ATOM 534 C GLU A 36 5.735 -13.615 -0.974 1.00 0.00 C ATOM 535 O GLU A 36 4.514 -13.644 -0.821 1.00 0.00 O ATOM 536 CB GLU A 36 7.395 -12.831 0.726 1.00 0.00 C ATOM 537 CG GLU A 36 8.221 -13.143 1.962 1.00 0.00 C ATOM 538 CD GLU A 36 7.367 -13.351 3.197 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.909 -12.345 3.778 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.156 -14.520 3.584 1.00 0.00 O ATOM 0 H GLU A 36 8.613 -14.710 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 36 6.085 -14.523 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.046 -12.406 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.657 -12.069 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.815 -14.039 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.921 -12.327 2.142 1.00 0.00 H new ATOM 547 N PHE A 37 6.313 -13.212 -2.101 1.00 0.00 N ATOM 548 CA PHE A 37 5.527 -12.769 -3.247 1.00 0.00 C ATOM 549 C PHE A 37 4.430 -13.776 -3.576 1.00 0.00 C ATOM 550 O PHE A 37 3.326 -13.400 -3.969 1.00 0.00 O ATOM 551 CB PHE A 37 6.432 -12.566 -4.464 1.00 0.00 C ATOM 552 CG PHE A 37 7.042 -11.196 -4.536 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.388 -10.165 -5.192 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.270 -10.938 -3.948 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.948 -8.903 -5.260 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.835 -9.678 -4.013 1.00 0.00 C ATOM 557 CZ PHE A 37 8.172 -8.659 -4.669 1.00 0.00 C ATOM 0 H PHE A 37 7.322 -13.183 -2.245 1.00 0.00 H new ATOM 0 HA PHE A 37 5.058 -11.820 -2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.229 -13.309 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.854 -12.746 -5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.430 -10.350 -5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.792 -11.731 -3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.429 -8.108 -5.775 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.793 -9.491 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.610 -7.673 -4.720 1.00 0.00 H new ATOM 567 N GLU A 38 4.743 -15.058 -3.413 1.00 0.00 N ATOM 568 CA GLU A 38 3.784 -16.120 -3.695 1.00 0.00 C ATOM 569 C GLU A 38 2.522 -15.950 -2.854 1.00 0.00 C ATOM 570 O GLU A 38 1.408 -16.126 -3.346 1.00 0.00 O ATOM 571 CB GLU A 38 4.411 -17.489 -3.423 1.00 0.00 C ATOM 572 CG GLU A 38 5.449 -17.898 -4.454 1.00 0.00 C ATOM 573 CD GLU A 38 6.430 -18.923 -3.919 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.977 -19.981 -3.435 1.00 0.00 O ATOM 575 OE2 GLU A 38 7.650 -18.667 -3.985 1.00 0.00 O ATOM 0 H GLU A 38 5.652 -15.386 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 38 3.510 -16.057 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.875 -17.477 -2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.623 -18.241 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.945 -18.306 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.996 -17.015 -4.784 1.00 0.00 H new ATOM 582 N GLN A 39 2.707 -15.608 -1.583 1.00 0.00 N ATOM 583 CA GLN A 39 1.583 -15.415 -0.673 1.00 0.00 C ATOM 584 C GLN A 39 0.567 -14.442 -1.261 1.00 0.00 C ATOM 585 O GLN A 39 -0.630 -14.729 -1.305 1.00 0.00 O ATOM 586 CB GLN A 39 2.078 -14.900 0.680 1.00 0.00 C ATOM 587 CG GLN A 39 2.858 -15.934 1.476 1.00 0.00 C ATOM 588 CD GLN A 39 1.968 -16.773 2.372 1.00 0.00 C ATOM 589 OE1 GLN A 39 0.800 -16.449 2.586 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.518 -17.860 2.902 1.00 0.00 N ATOM 0 H GLN A 39 3.623 -15.459 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 39 1.094 -16.379 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.709 -14.026 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.222 -14.570 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.394 -16.588 0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.607 -15.429 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.490 -18.091 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.968 -18.464 3.513 1.00 0.00 H new ATOM 599 N LEU A 40 1.051 -13.289 -1.710 1.00 0.00 N ATOM 600 CA LEU A 40 0.185 -12.272 -2.295 1.00 0.00 C ATOM 601 C LEU A 40 -0.347 -12.724 -3.652 1.00 0.00 C ATOM 602 O LEU A 40 -1.526 -12.548 -3.957 1.00 0.00 O ATOM 603 CB LEU A 40 0.945 -10.953 -2.446 1.00 0.00 C ATOM 604 CG LEU A 40 1.512 -10.354 -1.159 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.777 -9.562 -1.451 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.475 -9.473 -0.478 1.00 0.00 C ATOM 0 H LEU A 40 2.039 -13.035 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.662 -12.122 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.768 -11.109 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.276 -10.221 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 40 1.766 -11.170 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.166 -9.143 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.524 -10.220 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.548 -8.754 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.896 -9.055 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.189 -8.663 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.404 -10.069 -0.233 1.00 0.00 H new ATOM 618 N SER A 41 0.531 -13.309 -4.461 1.00 0.00 N ATOM 619 CA SER A 41 0.151 -13.785 -5.785 1.00 0.00 C ATOM 620 C SER A 41 -0.989 -14.795 -5.693 1.00 0.00 C ATOM 621 O SER A 41 -1.802 -14.916 -6.608 1.00 0.00 O ATOM 622 CB SER A 41 1.353 -14.418 -6.488 1.00 0.00 C ATOM 623 OG SER A 41 1.428 -15.807 -6.218 1.00 0.00 O ATOM 0 H SER A 41 1.510 -13.464 -4.222 1.00 0.00 H new ATOM 0 HA SER A 41 -0.191 -12.929 -6.367 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.276 -14.257 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.270 -13.930 -6.158 1.00 0.00 H new ATOM 0 HG SER A 41 1.393 -15.954 -5.250 1.00 0.00 H new ATOM 629 N ASN A 42 -1.040 -15.519 -4.579 1.00 0.00 N ATOM 630 CA ASN A 42 -2.079 -16.520 -4.366 1.00 0.00 C ATOM 631 C ASN A 42 -3.344 -15.880 -3.803 1.00 0.00 C ATOM 632 O ASN A 42 -4.458 -16.318 -4.095 1.00 0.00 O ATOM 633 CB ASN A 42 -1.579 -17.610 -3.415 1.00 0.00 C ATOM 634 CG ASN A 42 -0.809 -18.699 -4.137 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.398 -19.583 -4.759 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.515 -18.638 -4.059 1.00 0.00 N ATOM 0 H ASN A 42 -0.375 -15.431 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.318 -16.969 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.940 -17.160 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.429 -18.053 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.086 -19.342 -4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.961 -17.887 -3.532 1.00 0.00 H new ATOM 643 N LEU A 43 -3.165 -14.841 -2.995 1.00 0.00 N ATOM 644 CA LEU A 43 -4.292 -14.138 -2.391 1.00 0.00 C ATOM 645 C LEU A 43 -5.040 -13.311 -3.432 1.00 0.00 C ATOM 646 O LEU A 43 -6.236 -13.506 -3.653 1.00 0.00 O ATOM 647 CB LEU A 43 -3.806 -13.234 -1.257 1.00 0.00 C ATOM 648 CG LEU A 43 -4.780 -12.147 -0.801 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.096 -12.763 -0.352 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.168 -11.317 0.318 1.00 0.00 C ATOM 0 H LEU A 43 -2.250 -14.466 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.977 -14.882 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.564 -13.860 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.880 -12.754 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.981 -11.489 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.776 -11.974 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.542 -13.312 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.914 -13.445 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.875 -10.549 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.937 -11.963 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.253 -10.844 -0.038 1.00 0.00 H new ATOM 662 N LEU A 44 -4.327 -12.390 -4.071 1.00 0.00 N ATOM 663 CA LEU A 44 -4.922 -11.534 -5.091 1.00 0.00 C ATOM 664 C LEU A 44 -5.084 -12.288 -6.407 1.00 0.00 C ATOM 665 O LEU A 44 -5.697 -11.787 -7.349 1.00 0.00 O ATOM 666 CB LEU A 44 -4.061 -10.288 -5.306 1.00 0.00 C ATOM 667 CG LEU A 44 -3.702 -9.495 -4.049 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.594 -8.497 -4.346 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.930 -8.784 -3.498 1.00 0.00 C ATOM 0 H LEU A 44 -3.336 -12.217 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.909 -11.229 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.136 -10.590 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.584 -9.623 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.341 -10.193 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.352 -7.942 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.708 -9.029 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.926 -7.803 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.656 -8.225 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.321 -8.098 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.694 -9.520 -3.246 1.00 0.00 H new ATOM 681 N ASN A 45 -4.532 -13.495 -6.464 1.00 0.00 N ATOM 682 CA ASN A 45 -4.616 -14.319 -7.664 1.00 0.00 C ATOM 683 C ASN A 45 -3.953 -13.624 -8.849 1.00 0.00 C ATOM 684 O ASN A 45 -4.378 -13.782 -9.994 1.00 0.00 O ATOM 685 CB ASN A 45 -6.078 -14.629 -7.993 1.00 0.00 C ATOM 686 CG ASN A 45 -6.693 -15.617 -7.021 1.00 0.00 C ATOM 687 OD1 ASN A 45 -6.046 -16.050 -6.066 1.00 0.00 O ATOM 688 ND2 ASN A 45 -7.948 -15.978 -7.259 1.00 0.00 N ATOM 0 H ASN A 45 -4.021 -13.925 -5.693 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.088 -15.253 -7.471 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.654 -13.704 -7.980 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.143 -15.030 -9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.415 -16.640 -6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.446 -15.594 -8.062 1.00 0.00 H new ATOM 695 N LEU A 46 -2.908 -12.854 -8.566 1.00 0.00 N ATOM 696 CA LEU A 46 -2.184 -12.134 -9.608 1.00 0.00 C ATOM 697 C LEU A 46 -0.774 -12.692 -9.777 1.00 0.00 C ATOM 698 O LEU A 46 -0.184 -13.245 -8.849 1.00 0.00 O ATOM 699 CB LEU A 46 -2.117 -10.643 -9.274 1.00 0.00 C ATOM 700 CG LEU A 46 -3.460 -9.923 -9.148 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.268 -8.535 -8.555 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.148 -9.836 -10.502 1.00 0.00 C ATOM 0 H LEU A 46 -2.543 -12.712 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.723 -12.266 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.575 -10.525 -8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.531 -10.144 -10.046 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.097 -10.498 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.234 -8.038 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.819 -8.621 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.613 -7.951 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.102 -9.321 -10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.515 -9.284 -11.197 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.320 -10.841 -10.888 1.00 0.00 H new ATOM 714 N PRO A 47 -0.220 -12.544 -10.989 1.00 0.00 N ATOM 715 CA PRO A 47 1.128 -13.025 -11.308 1.00 0.00 C ATOM 716 C PRO A 47 2.213 -12.216 -10.605 1.00 0.00 C ATOM 717 O PRO A 47 2.220 -10.985 -10.662 1.00 0.00 O ATOM 718 CB PRO A 47 1.221 -12.840 -12.824 1.00 0.00 C ATOM 719 CG PRO A 47 0.256 -11.749 -13.134 1.00 0.00 C ATOM 720 CD PRO A 47 -0.866 -11.896 -12.143 1.00 0.00 C ATOM 0 HA PRO A 47 1.282 -14.053 -10.980 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.233 -12.572 -13.128 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.963 -13.758 -13.351 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.730 -10.772 -13.045 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.113 -11.833 -14.156 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.294 -10.930 -11.874 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.678 -12.504 -12.543 1.00 0.00 H new ATOM 728 N THR A 48 3.129 -12.914 -9.941 1.00 0.00 N ATOM 729 CA THR A 48 4.218 -12.260 -9.227 1.00 0.00 C ATOM 730 C THR A 48 4.837 -11.148 -10.066 1.00 0.00 C ATOM 731 O THR A 48 5.151 -10.073 -9.554 1.00 0.00 O ATOM 732 CB THR A 48 5.318 -13.266 -8.837 1.00 0.00 C ATOM 733 OG1 THR A 48 5.450 -14.266 -9.853 1.00 0.00 O ATOM 734 CG2 THR A 48 4.998 -13.929 -7.505 1.00 0.00 C ATOM 0 H THR A 48 3.138 -13.932 -9.883 1.00 0.00 H new ATOM 0 HA THR A 48 3.789 -11.832 -8.321 1.00 0.00 H new ATOM 0 HB THR A 48 6.258 -12.722 -8.738 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.152 -14.900 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.789 -14.635 -7.251 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.927 -13.168 -6.728 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.049 -14.459 -7.581 1.00 0.00 H new ATOM 742 N ARG A 49 5.009 -11.413 -11.357 1.00 0.00 N ATOM 743 CA ARG A 49 5.592 -10.434 -12.267 1.00 0.00 C ATOM 744 C ARG A 49 4.877 -9.091 -12.150 1.00 0.00 C ATOM 745 O ARG A 49 5.500 -8.034 -12.246 1.00 0.00 O ATOM 746 CB ARG A 49 5.518 -10.940 -13.709 1.00 0.00 C ATOM 747 CG ARG A 49 4.188 -10.655 -14.387 1.00 0.00 C ATOM 748 CD ARG A 49 4.200 -9.309 -15.095 1.00 0.00 C ATOM 749 NE ARG A 49 4.999 -9.341 -16.317 1.00 0.00 N ATOM 750 CZ ARG A 49 5.521 -8.259 -16.883 1.00 0.00 C ATOM 751 NH1 ARG A 49 5.330 -7.065 -16.339 1.00 0.00 N ATOM 752 NH2 ARG A 49 6.237 -8.369 -17.994 1.00 0.00 N ATOM 0 H ARG A 49 4.753 -12.297 -11.796 1.00 0.00 H new ATOM 0 HA ARG A 49 6.637 -10.295 -11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.318 -10.479 -14.288 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.697 -12.015 -13.718 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.969 -11.444 -15.107 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.390 -10.670 -13.645 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.178 -9.018 -15.338 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.597 -8.549 -14.422 1.00 0.00 H new ATOM 0 HE ARG A 49 5.165 -10.244 -16.760 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.781 -6.976 -15.484 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.732 -6.235 -16.776 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.387 -9.286 -18.415 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.637 -7.537 -18.427 1.00 0.00 H new ATOM 766 N VAL A 50 3.565 -9.141 -11.943 1.00 0.00 N ATOM 767 CA VAL A 50 2.765 -7.929 -11.813 1.00 0.00 C ATOM 768 C VAL A 50 2.971 -7.278 -10.450 1.00 0.00 C ATOM 769 O VAL A 50 2.988 -6.052 -10.332 1.00 0.00 O ATOM 770 CB VAL A 50 1.265 -8.222 -12.007 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.422 -7.090 -11.442 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.953 -8.447 -13.479 1.00 0.00 C ATOM 0 H VAL A 50 3.034 -10.008 -11.862 1.00 0.00 H new ATOM 0 HA VAL A 50 3.098 -7.245 -12.594 1.00 0.00 H new ATOM 0 HB VAL A 50 1.017 -9.133 -11.463 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.634 -7.315 -11.588 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.626 -6.981 -10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.670 -6.161 -11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.111 -8.653 -13.598 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.216 -7.555 -14.047 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.530 -9.295 -13.848 1.00 0.00 H new ATOM 782 N ILE A 51 3.129 -8.106 -9.423 1.00 0.00 N ATOM 783 CA ILE A 51 3.336 -7.611 -8.067 1.00 0.00 C ATOM 784 C ILE A 51 4.743 -7.048 -7.897 1.00 0.00 C ATOM 785 O ILE A 51 4.966 -6.132 -7.105 1.00 0.00 O ATOM 786 CB ILE A 51 3.108 -8.719 -7.022 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.821 -9.485 -7.332 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.054 -8.123 -5.623 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.612 -10.697 -6.450 1.00 0.00 C ATOM 0 H ILE A 51 3.118 -9.123 -9.504 1.00 0.00 H new ATOM 0 HA ILE A 51 2.607 -6.817 -7.906 1.00 0.00 H new ATOM 0 HB ILE A 51 3.943 -9.418 -7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.971 -8.812 -7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.839 -9.803 -8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.892 -8.918 -4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.995 -7.618 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.236 -7.405 -5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.681 -11.191 -6.726 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.443 -11.390 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.562 -10.384 -5.407 1.00 0.00 H new ATOM 801 N VAL A 52 5.691 -7.601 -8.648 1.00 0.00 N ATOM 802 CA VAL A 52 7.077 -7.152 -8.583 1.00 0.00 C ATOM 803 C VAL A 52 7.226 -5.745 -9.150 1.00 0.00 C ATOM 804 O VAL A 52 7.709 -4.839 -8.471 1.00 0.00 O ATOM 805 CB VAL A 52 8.012 -8.106 -9.350 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.388 -7.481 -9.521 1.00 0.00 C ATOM 807 CG2 VAL A 52 8.110 -9.445 -8.635 1.00 0.00 C ATOM 0 H VAL A 52 5.524 -8.360 -9.308 1.00 0.00 H new ATOM 0 HA VAL A 52 7.360 -7.147 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 52 7.593 -8.280 -10.341 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.035 -8.169 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.298 -6.549 -10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.819 -7.276 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.775 -10.106 -9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.506 -9.293 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.120 -9.896 -8.570 1.00 0.00 H new ATOM 817 N VAL A 53 6.808 -5.569 -10.400 1.00 0.00 N ATOM 818 CA VAL A 53 6.894 -4.272 -11.059 1.00 0.00 C ATOM 819 C VAL A 53 6.244 -3.182 -10.214 1.00 0.00 C ATOM 820 O VAL A 53 6.736 -2.056 -10.150 1.00 0.00 O ATOM 821 CB VAL A 53 6.222 -4.301 -12.445 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.236 -2.916 -13.074 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.909 -5.314 -13.348 1.00 0.00 C ATOM 0 H VAL A 53 6.407 -6.309 -10.976 1.00 0.00 H new ATOM 0 HA VAL A 53 7.954 -4.049 -11.182 1.00 0.00 H new ATOM 0 HB VAL A 53 5.183 -4.606 -12.320 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.757 -2.956 -14.052 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.695 -2.220 -12.433 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.266 -2.578 -13.188 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.422 -5.322 -14.323 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.958 -5.042 -13.468 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.841 -6.306 -12.901 1.00 0.00 H new ATOM 833 N TRP A 54 5.137 -3.525 -9.566 1.00 0.00 N ATOM 834 CA TRP A 54 4.419 -2.575 -8.723 1.00 0.00 C ATOM 835 C TRP A 54 5.229 -2.233 -7.478 1.00 0.00 C ATOM 836 O TRP A 54 5.356 -1.065 -7.110 1.00 0.00 O ATOM 837 CB TRP A 54 3.058 -3.146 -8.321 1.00 0.00 C ATOM 838 CG TRP A 54 2.217 -2.182 -7.540 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.155 -1.460 -8.002 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.371 -1.835 -6.159 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.638 -0.684 -6.992 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.366 -0.897 -5.852 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.258 -2.226 -5.153 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.227 -0.345 -4.581 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.119 -1.677 -3.892 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.110 -0.746 -3.615 1.00 0.00 C ATOM 0 H TRP A 54 4.717 -4.453 -9.608 1.00 0.00 H new ATOM 0 HA TRP A 54 4.266 -1.661 -9.296 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.517 -3.444 -9.219 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.211 -4.047 -7.727 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.776 -1.493 -9.013 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.158 -0.052 -7.078 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.038 -2.944 -5.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.450 0.374 -4.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.800 -1.971 -3.107 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.027 -0.336 -2.619 1.00 0.00 H new ATOM 857 N PHE A 55 5.775 -3.258 -6.832 1.00 0.00 N ATOM 858 CA PHE A 55 6.573 -3.064 -5.626 1.00 0.00 C ATOM 859 C PHE A 55 7.840 -2.272 -5.934 1.00 0.00 C ATOM 860 O PHE A 55 8.228 -1.384 -5.175 1.00 0.00 O ATOM 861 CB PHE A 55 6.939 -4.415 -5.010 1.00 0.00 C ATOM 862 CG PHE A 55 5.939 -4.906 -4.002 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.618 -5.117 -4.364 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.319 -5.154 -2.693 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.695 -5.569 -3.440 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.400 -5.606 -1.765 1.00 0.00 C ATOM 867 CZ PHE A 55 4.087 -5.813 -2.138 1.00 0.00 C ATOM 0 H PHE A 55 5.680 -4.231 -7.123 1.00 0.00 H new ATOM 0 HA PHE A 55 5.976 -2.496 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.034 -5.154 -5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.915 -4.335 -4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.306 -4.926 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.344 -4.992 -2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.669 -5.731 -3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.709 -5.797 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.368 -6.165 -1.413 1.00 0.00 H new ATOM 877 N GLN A 56 8.480 -2.601 -7.051 1.00 0.00 N ATOM 878 CA GLN A 56 9.704 -1.922 -7.458 1.00 0.00 C ATOM 879 C GLN A 56 9.493 -0.413 -7.524 1.00 0.00 C ATOM 880 O GLN A 56 10.235 0.354 -6.912 1.00 0.00 O ATOM 881 CB GLN A 56 10.174 -2.443 -8.818 1.00 0.00 C ATOM 882 CG GLN A 56 10.976 -3.731 -8.732 1.00 0.00 C ATOM 883 CD GLN A 56 11.993 -3.861 -9.848 1.00 0.00 C ATOM 884 OE1 GLN A 56 13.118 -3.373 -9.738 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.602 -4.522 -10.932 1.00 0.00 N ATOM 0 H GLN A 56 8.171 -3.333 -7.690 1.00 0.00 H new ATOM 0 HA GLN A 56 10.471 -2.131 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.305 -2.608 -9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.782 -1.678 -9.301 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.489 -3.771 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.295 -4.581 -8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.660 -4.910 -10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.244 -4.641 -11.716 1.00 0.00 H new ATOM 894 N ASN A 57 8.476 0.005 -8.271 1.00 0.00 N ATOM 895 CA ASN A 57 8.168 1.423 -8.417 1.00 0.00 C ATOM 896 C ASN A 57 7.855 2.055 -7.064 1.00 0.00 C ATOM 897 O ASN A 57 8.465 3.051 -6.677 1.00 0.00 O ATOM 898 CB ASN A 57 6.985 1.614 -9.367 1.00 0.00 C ATOM 899 CG ASN A 57 7.395 1.536 -10.825 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.665 2.555 -11.461 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.443 0.322 -11.362 1.00 0.00 N ATOM 0 H ASN A 57 7.852 -0.618 -8.784 1.00 0.00 H new ATOM 0 HA ASN A 57 9.045 1.918 -8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.232 0.853 -9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.520 2.581 -9.174 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.712 0.207 -12.339 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.211 -0.495 -10.797 1.00 0.00 H new ATOM 908 N ALA A 58 6.901 1.467 -6.350 1.00 0.00 N ATOM 909 CA ALA A 58 6.509 1.970 -5.039 1.00 0.00 C ATOM 910 C ALA A 58 7.731 2.342 -4.205 1.00 0.00 C ATOM 911 O ALA A 58 7.639 3.143 -3.275 1.00 0.00 O ATOM 912 CB ALA A 58 5.664 0.936 -4.308 1.00 0.00 C ATOM 0 H ALA A 58 6.385 0.642 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 58 5.914 2.871 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.378 1.325 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.767 0.722 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.241 0.020 -4.180 1.00 0.00 H new ATOM 918 N ARG A 59 8.874 1.754 -4.544 1.00 0.00 N ATOM 919 CA ARG A 59 10.113 2.023 -3.826 1.00 0.00 C ATOM 920 C ARG A 59 10.850 3.211 -4.437 1.00 0.00 C ATOM 921 O ARG A 59 11.432 4.026 -3.722 1.00 0.00 O ATOM 922 CB ARG A 59 11.015 0.787 -3.842 1.00 0.00 C ATOM 923 CG ARG A 59 10.492 -0.360 -2.994 1.00 0.00 C ATOM 924 CD ARG A 59 11.586 -1.370 -2.687 1.00 0.00 C ATOM 925 NE ARG A 59 11.750 -2.344 -3.763 1.00 0.00 N ATOM 926 CZ ARG A 59 12.499 -2.130 -4.840 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.148 -0.983 -4.983 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.599 -3.065 -5.776 1.00 0.00 N ATOM 0 H ARG A 59 8.967 1.088 -5.311 1.00 0.00 H new ATOM 0 HA ARG A 59 9.859 2.267 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.129 0.444 -4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.007 1.067 -3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.085 0.032 -2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.674 -0.856 -3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.528 -0.846 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.348 -1.891 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 59 11.263 -3.237 -3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.073 -0.262 -4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.722 -0.822 -5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.101 -3.949 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.174 -2.900 -6.602 1.00 0.00 H new