USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 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= -0.0986 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.69! C(o=-4.7!,f=-5.3!) USER MOD Single : A 23 GLN : amide:sc= -0.748 X(o=-0.75,f=-0.58) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0217 F(o=-1.4,f=-0.022) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.23 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.48 K(o=-0.48,f=-3.9!) USER MOD Single : A 41 SER OG : rot -54:sc= 0.898 USER MOD Single : A 42 ASN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.36) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.6!) USER MOD Single : A 57 ASN : amide:sc= 1.2 K(o=1.2,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 174 N PHE A 14 -5.260 -2.214 -10.868 1.00 0.00 N ATOM 175 CA PHE A 14 -5.714 -2.979 -9.713 1.00 0.00 C ATOM 176 C PHE A 14 -6.895 -2.291 -9.035 1.00 0.00 C ATOM 177 O PHE A 14 -7.179 -1.121 -9.293 1.00 0.00 O ATOM 178 CB PHE A 14 -4.571 -3.158 -8.711 1.00 0.00 C ATOM 179 CG PHE A 14 -3.270 -3.550 -9.351 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.466 -2.598 -9.957 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.850 -4.870 -9.347 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.268 -2.955 -10.546 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.653 -5.233 -9.934 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.861 -4.274 -10.535 1.00 0.00 C ATOM 0 HA PHE A 14 -6.038 -3.959 -10.063 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.431 -2.227 -8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.852 -3.919 -7.983 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.779 -1.565 -9.969 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.465 -5.624 -8.880 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.651 -2.203 -11.014 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.337 -6.266 -9.923 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.075 -4.556 -10.995 1.00 0.00 H new ATOM 194 N THR A 15 -7.583 -3.027 -8.168 1.00 0.00 N ATOM 195 CA THR A 15 -8.735 -2.490 -7.454 1.00 0.00 C ATOM 196 C THR A 15 -8.417 -2.277 -5.979 1.00 0.00 C ATOM 197 O THR A 15 -7.549 -2.946 -5.418 1.00 0.00 O ATOM 198 CB THR A 15 -9.956 -3.422 -7.576 1.00 0.00 C ATOM 199 OG1 THR A 15 -10.992 -2.990 -6.687 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.573 -4.859 -7.255 1.00 0.00 C ATOM 0 H THR A 15 -7.362 -3.997 -7.943 1.00 0.00 H new ATOM 0 HA THR A 15 -8.973 -1.531 -7.913 1.00 0.00 H new ATOM 0 HB THR A 15 -10.318 -3.379 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.765 -3.586 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.451 -5.499 -7.348 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.804 -5.195 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.189 -4.914 -6.236 1.00 0.00 H new ATOM 208 N ASP A 16 -9.126 -1.342 -5.355 1.00 0.00 N ATOM 209 CA ASP A 16 -8.920 -1.042 -3.943 1.00 0.00 C ATOM 210 C ASP A 16 -8.645 -2.317 -3.151 1.00 0.00 C ATOM 211 O ASP A 16 -7.792 -2.337 -2.264 1.00 0.00 O ATOM 212 CB ASP A 16 -10.143 -0.324 -3.369 1.00 0.00 C ATOM 213 CG ASP A 16 -10.565 0.863 -4.211 1.00 0.00 C ATOM 214 OD1 ASP A 16 -10.956 0.653 -5.378 1.00 0.00 O ATOM 215 OD2 ASP A 16 -10.503 2.003 -3.704 1.00 0.00 O ATOM 0 H ASP A 16 -9.848 -0.779 -5.805 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.052 -0.389 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.973 -1.027 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.921 0.013 -2.356 1.00 0.00 H new ATOM 220 N TYR A 17 -9.374 -3.378 -3.477 1.00 0.00 N ATOM 221 CA TYR A 17 -9.212 -4.656 -2.794 1.00 0.00 C ATOM 222 C TYR A 17 -7.779 -5.165 -2.924 1.00 0.00 C ATOM 223 O TYR A 17 -7.178 -5.614 -1.948 1.00 0.00 O ATOM 224 CB TYR A 17 -10.186 -5.690 -3.362 1.00 0.00 C ATOM 225 CG TYR A 17 -9.691 -7.114 -3.248 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.123 -7.581 -2.069 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.792 -7.993 -4.320 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.670 -8.881 -1.961 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.342 -9.295 -4.220 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.782 -9.735 -3.038 1.00 0.00 C ATOM 231 OH TYR A 17 -8.331 -11.031 -2.935 1.00 0.00 O ATOM 0 H TYR A 17 -10.083 -3.379 -4.210 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.430 -4.504 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.140 -5.603 -2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.374 -5.462 -4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.034 -6.916 -1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.230 -7.652 -5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.230 -9.227 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.428 -9.965 -5.062 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.485 -11.499 -3.782 1.00 0.00 H new ATOM 241 N GLN A 18 -7.240 -5.091 -4.136 1.00 0.00 N ATOM 242 CA GLN A 18 -5.878 -5.544 -4.395 1.00 0.00 C ATOM 243 C GLN A 18 -4.861 -4.523 -3.896 1.00 0.00 C ATOM 244 O GLN A 18 -3.911 -4.870 -3.193 1.00 0.00 O ATOM 245 CB GLN A 18 -5.677 -5.793 -5.891 1.00 0.00 C ATOM 246 CG GLN A 18 -6.691 -6.754 -6.490 1.00 0.00 C ATOM 247 CD GLN A 18 -6.177 -7.441 -7.739 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.769 -6.786 -8.699 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.194 -8.769 -7.734 1.00 0.00 N ATOM 0 H GLN A 18 -7.725 -4.722 -4.954 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.723 -6.478 -3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.734 -4.842 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.674 -6.188 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.954 -7.508 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.604 -6.210 -6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.541 -9.272 -6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.860 -9.286 -8.547 1.00 0.00 H new ATOM 258 N LEU A 19 -5.066 -3.263 -4.264 1.00 0.00 N ATOM 259 CA LEU A 19 -4.166 -2.190 -3.853 1.00 0.00 C ATOM 260 C LEU A 19 -4.024 -2.149 -2.335 1.00 0.00 C ATOM 261 O LEU A 19 -2.969 -1.794 -1.809 1.00 0.00 O ATOM 262 CB LEU A 19 -4.678 -0.844 -4.366 1.00 0.00 C ATOM 263 CG LEU A 19 -4.489 -0.578 -5.860 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.145 0.736 -6.256 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.010 -0.567 -6.217 1.00 0.00 C ATOM 0 H LEU A 19 -5.847 -2.959 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.185 -2.387 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.741 -0.771 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.177 -0.052 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.970 -1.382 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.000 0.908 -7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.212 0.690 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.694 1.552 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.895 -0.376 -7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.505 0.216 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.569 -1.533 -5.971 1.00 0.00 H new ATOM 277 N ARG A 20 -5.094 -2.516 -1.636 1.00 0.00 N ATOM 278 CA ARG A 20 -5.088 -2.522 -0.178 1.00 0.00 C ATOM 279 C ARG A 20 -4.083 -3.537 0.358 1.00 0.00 C ATOM 280 O ARG A 20 -3.318 -3.243 1.277 1.00 0.00 O ATOM 281 CB ARG A 20 -6.486 -2.840 0.357 1.00 0.00 C ATOM 282 CG ARG A 20 -6.598 -2.732 1.868 1.00 0.00 C ATOM 283 CD ARG A 20 -6.464 -1.291 2.335 1.00 0.00 C ATOM 284 NE ARG A 20 -7.647 -0.498 2.011 1.00 0.00 N ATOM 285 CZ ARG A 20 -7.862 0.726 2.479 1.00 0.00 C ATOM 286 NH1 ARG A 20 -6.978 1.295 3.287 1.00 0.00 N ATOM 287 NH2 ARG A 20 -8.962 1.384 2.137 1.00 0.00 N ATOM 0 H ARG A 20 -5.975 -2.813 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.792 -1.530 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.205 -2.161 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.762 -3.849 0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.558 -3.133 2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.824 -3.341 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.300 -1.273 3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.587 -0.840 1.871 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.346 -0.907 1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.130 0.792 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.146 2.235 3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.643 0.950 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.127 2.324 2.497 1.00 0.00 H new ATOM 301 N VAL A 21 -4.091 -4.732 -0.223 1.00 0.00 N ATOM 302 CA VAL A 21 -3.179 -5.791 0.196 1.00 0.00 C ATOM 303 C VAL A 21 -1.759 -5.516 -0.285 1.00 0.00 C ATOM 304 O VAL A 21 -0.792 -5.723 0.449 1.00 0.00 O ATOM 305 CB VAL A 21 -3.633 -7.164 -0.335 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.664 -8.252 0.103 1.00 0.00 C ATOM 307 CG2 VAL A 21 -5.046 -7.476 0.134 1.00 0.00 C ATOM 0 H VAL A 21 -4.718 -4.992 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.193 -5.808 1.286 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.636 -7.130 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.000 -9.215 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.670 -8.033 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.626 -8.289 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.350 -8.449 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.073 -7.492 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.729 -6.711 -0.235 1.00 0.00 H new ATOM 317 N LEU A 22 -1.640 -5.047 -1.522 1.00 0.00 N ATOM 318 CA LEU A 22 -0.337 -4.742 -2.103 1.00 0.00 C ATOM 319 C LEU A 22 0.326 -3.580 -1.371 1.00 0.00 C ATOM 320 O LEU A 22 1.521 -3.619 -1.080 1.00 0.00 O ATOM 321 CB LEU A 22 -0.484 -4.407 -3.588 1.00 0.00 C ATOM 322 CG LEU A 22 -1.075 -5.509 -4.469 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.438 -4.959 -5.839 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.100 -6.669 -4.599 1.00 0.00 C ATOM 0 H LEU A 22 -2.430 -4.870 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 22 0.296 -5.623 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.111 -3.520 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.499 -4.144 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.985 -5.878 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.857 -5.757 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.174 -4.162 -5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.544 -4.563 -6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.538 -7.443 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.828 -6.316 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.110 -7.080 -3.612 1.00 0.00 H new ATOM 336 N GLN A 23 -0.458 -2.548 -1.076 1.00 0.00 N ATOM 337 CA GLN A 23 0.054 -1.375 -0.377 1.00 0.00 C ATOM 338 C GLN A 23 0.333 -1.694 1.089 1.00 0.00 C ATOM 339 O GLN A 23 1.285 -1.179 1.676 1.00 0.00 O ATOM 340 CB GLN A 23 -0.943 -0.219 -0.479 1.00 0.00 C ATOM 341 CG GLN A 23 -0.316 1.146 -0.250 1.00 0.00 C ATOM 342 CD GLN A 23 0.748 1.480 -1.277 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.439 1.895 -2.395 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.009 1.300 -0.904 1.00 0.00 N ATOM 0 H GLN A 23 -1.450 -2.500 -1.310 1.00 0.00 H new ATOM 0 HA GLN A 23 0.991 -1.081 -0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.407 -0.236 -1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.739 -0.371 0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.095 1.908 -0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.124 1.177 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.220 0.954 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.768 1.507 -1.554 1.00 0.00 H new ATOM 353 N ASP A 24 -0.503 -2.545 1.673 1.00 0.00 N ATOM 354 CA ASP A 24 -0.346 -2.933 3.070 1.00 0.00 C ATOM 355 C ASP A 24 0.934 -3.740 3.269 1.00 0.00 C ATOM 356 O ASP A 24 1.650 -3.553 4.253 1.00 0.00 O ATOM 357 CB ASP A 24 -1.554 -3.748 3.534 1.00 0.00 C ATOM 358 CG ASP A 24 -1.438 -4.181 4.982 1.00 0.00 C ATOM 359 OD1 ASP A 24 -1.850 -3.404 5.869 1.00 0.00 O ATOM 360 OD2 ASP A 24 -0.937 -5.298 5.229 1.00 0.00 O ATOM 0 H ASP A 24 -1.296 -2.979 1.201 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.279 -2.024 3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.460 -3.155 3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.659 -4.629 2.901 1.00 0.00 H new ATOM 365 N PHE A 25 1.215 -4.636 2.330 1.00 0.00 N ATOM 366 CA PHE A 25 2.407 -5.473 2.404 1.00 0.00 C ATOM 367 C PHE A 25 3.667 -4.646 2.165 1.00 0.00 C ATOM 368 O PHE A 25 4.735 -4.956 2.693 1.00 0.00 O ATOM 369 CB PHE A 25 2.325 -6.606 1.378 1.00 0.00 C ATOM 370 CG PHE A 25 3.330 -7.698 1.610 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.679 -7.475 1.385 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.925 -8.947 2.051 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.606 -8.478 1.598 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.848 -9.954 2.265 1.00 0.00 C ATOM 375 CZ PHE A 25 5.190 -9.719 2.037 1.00 0.00 C ATOM 0 H PHE A 25 0.634 -4.802 1.508 1.00 0.00 H new ATOM 0 HA PHE A 25 2.459 -5.901 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.323 -7.034 1.401 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.473 -6.193 0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.010 -6.507 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.877 -9.136 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.655 -8.291 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.520 -10.923 2.610 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.912 -10.505 2.202 1.00 0.00 H new ATOM 385 N PHE A 26 3.534 -3.593 1.366 1.00 0.00 N ATOM 386 CA PHE A 26 4.661 -2.721 1.056 1.00 0.00 C ATOM 387 C PHE A 26 5.023 -1.851 2.256 1.00 0.00 C ATOM 388 O PHE A 26 6.182 -1.792 2.667 1.00 0.00 O ATOM 389 CB PHE A 26 4.333 -1.837 -0.149 1.00 0.00 C ATOM 390 CG PHE A 26 5.428 -0.871 -0.500 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.620 0.280 0.247 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.267 -1.115 -1.576 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.627 1.171 -0.075 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.276 -0.228 -1.902 1.00 0.00 C ATOM 395 CZ PHE A 26 7.456 0.916 -1.149 1.00 0.00 C ATOM 0 H PHE A 26 2.657 -3.323 0.921 1.00 0.00 H new ATOM 0 HA PHE A 26 5.518 -3.350 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.130 -2.472 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.420 -1.279 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.976 0.483 1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.131 -2.009 -2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.765 2.066 0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.922 -0.429 -2.744 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.244 1.610 -1.400 1.00 0.00 H new ATOM 405 N ASP A 27 4.022 -1.177 2.813 1.00 0.00 N ATOM 406 CA ASP A 27 4.233 -0.310 3.966 1.00 0.00 C ATOM 407 C ASP A 27 4.993 -1.045 5.066 1.00 0.00 C ATOM 408 O ASP A 27 5.775 -0.443 5.802 1.00 0.00 O ATOM 409 CB ASP A 27 2.893 0.194 4.504 1.00 0.00 C ATOM 410 CG ASP A 27 3.060 1.170 5.652 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.851 0.873 6.572 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.400 2.229 5.632 1.00 0.00 O ATOM 0 H ASP A 27 3.057 -1.215 2.484 1.00 0.00 H new ATOM 0 HA ASP A 27 4.830 0.543 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.340 0.677 3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.296 -0.655 4.837 1.00 0.00 H new ATOM 417 N ALA A 28 4.756 -2.348 5.173 1.00 0.00 N ATOM 418 CA ALA A 28 5.419 -3.164 6.183 1.00 0.00 C ATOM 419 C ALA A 28 6.712 -3.764 5.642 1.00 0.00 C ATOM 420 O ALA A 28 7.730 -3.795 6.332 1.00 0.00 O ATOM 421 CB ALA A 28 4.486 -4.265 6.667 1.00 0.00 C ATOM 0 H ALA A 28 4.110 -2.861 4.573 1.00 0.00 H new ATOM 0 HA ALA A 28 5.673 -2.521 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.994 -4.867 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.591 -3.819 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.204 -4.899 5.826 1.00 0.00 H new ATOM 427 N ASN A 29 6.665 -4.241 4.402 1.00 0.00 N ATOM 428 CA ASN A 29 7.833 -4.841 3.769 1.00 0.00 C ATOM 429 C ASN A 29 7.832 -4.580 2.265 1.00 0.00 C ATOM 430 O ASN A 29 6.865 -4.894 1.571 1.00 0.00 O ATOM 431 CB ASN A 29 7.866 -6.348 4.035 1.00 0.00 C ATOM 432 CG ASN A 29 9.191 -6.975 3.648 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.140 -7.974 2.775 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.248 -6.565 4.128 1.00 0.00 N flip ATOM 0 H ASN A 29 5.830 -4.223 3.816 1.00 0.00 H new ATOM 0 HA ASN A 29 8.723 -4.382 4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.675 -6.532 5.092 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.063 -6.830 3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.240 -5.794 4.796 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.132 -6.996 3.858 1.00 0.00 H new ATOM 441 N ALA A 30 8.921 -4.003 1.770 1.00 0.00 N ATOM 442 CA ALA A 30 9.047 -3.701 0.349 1.00 0.00 C ATOM 443 C ALA A 30 10.247 -4.419 -0.260 1.00 0.00 C ATOM 444 O ALA A 30 10.646 -4.134 -1.389 1.00 0.00 O ATOM 445 CB ALA A 30 9.165 -2.199 0.137 1.00 0.00 C ATOM 0 H ALA A 30 9.729 -3.735 2.331 1.00 0.00 H new ATOM 0 HA ALA A 30 8.149 -4.058 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.258 -1.988 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.275 -1.705 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.046 -1.826 0.659 1.00 0.00 H new ATOM 451 N TYR A 31 10.820 -5.350 0.495 1.00 0.00 N ATOM 452 CA TYR A 31 11.976 -6.106 0.031 1.00 0.00 C ATOM 453 C TYR A 31 11.787 -7.599 0.279 1.00 0.00 C ATOM 454 O TYR A 31 12.705 -8.307 0.693 1.00 0.00 O ATOM 455 CB TYR A 31 13.246 -5.618 0.731 1.00 0.00 C ATOM 456 CG TYR A 31 13.666 -4.225 0.320 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.835 -3.134 0.539 1.00 0.00 C ATOM 458 CD2 TYR A 31 14.896 -4.000 -0.286 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.215 -1.860 0.165 1.00 0.00 C ATOM 460 CE2 TYR A 31 15.285 -2.729 -0.662 1.00 0.00 C ATOM 461 CZ TYR A 31 14.441 -1.662 -0.435 1.00 0.00 C ATOM 462 OH TYR A 31 14.824 -0.394 -0.808 1.00 0.00 O ATOM 0 H TYR A 31 10.502 -5.599 1.432 1.00 0.00 H new ATOM 0 HA TYR A 31 12.076 -5.945 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.087 -5.637 1.809 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.059 -6.312 0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.875 -3.284 1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 31 15.559 -4.833 -0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.556 -1.023 0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 31 16.245 -2.572 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 31 15.715 -0.428 -1.215 1.00 0.00 H new ATOM 472 N PRO A 32 10.566 -8.091 0.021 1.00 0.00 N ATOM 473 CA PRO A 32 10.226 -9.504 0.207 1.00 0.00 C ATOM 474 C PRO A 32 10.912 -10.406 -0.813 1.00 0.00 C ATOM 475 O PRO A 32 11.491 -9.928 -1.790 1.00 0.00 O ATOM 476 CB PRO A 32 8.708 -9.533 0.011 1.00 0.00 C ATOM 477 CG PRO A 32 8.415 -8.354 -0.852 1.00 0.00 C ATOM 478 CD PRO A 32 9.424 -7.304 -0.475 1.00 0.00 C ATOM 0 HA PRO A 32 10.552 -9.876 1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.388 -10.460 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.184 -9.466 0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.497 -8.613 -1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.399 -7.995 -0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.702 -6.688 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.037 -6.631 0.290 1.00 0.00 H new ATOM 486 N LYS A 33 10.844 -11.712 -0.583 1.00 0.00 N ATOM 487 CA LYS A 33 11.457 -12.682 -1.483 1.00 0.00 C ATOM 488 C LYS A 33 10.394 -13.435 -2.277 1.00 0.00 C ATOM 489 O LYS A 33 9.201 -13.320 -1.998 1.00 0.00 O ATOM 490 CB LYS A 33 12.315 -13.672 -0.692 1.00 0.00 C ATOM 491 CG LYS A 33 13.337 -13.004 0.212 1.00 0.00 C ATOM 492 CD LYS A 33 14.575 -12.583 -0.563 1.00 0.00 C ATOM 493 CE LYS A 33 15.284 -11.418 0.111 1.00 0.00 C ATOM 494 NZ LYS A 33 16.067 -11.858 1.299 1.00 0.00 N ATOM 0 H LYS A 33 10.370 -12.124 0.220 1.00 0.00 H new ATOM 0 HA LYS A 33 12.092 -12.139 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.663 -14.302 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.834 -14.329 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.889 -12.131 0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.622 -13.690 1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.259 -13.428 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.292 -12.301 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.950 -10.935 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.549 -10.673 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.535 -11.036 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.428 -12.296 1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.785 -12.550 1.004 1.00 0.00 H new ATOM 508 N ASP A 34 10.836 -14.205 -3.265 1.00 0.00 N ATOM 509 CA ASP A 34 9.923 -14.979 -4.097 1.00 0.00 C ATOM 510 C ASP A 34 8.881 -15.695 -3.242 1.00 0.00 C ATOM 511 O ASP A 34 7.683 -15.619 -3.513 1.00 0.00 O ATOM 512 CB ASP A 34 10.700 -15.997 -4.934 1.00 0.00 C ATOM 513 CG ASP A 34 11.230 -15.401 -6.223 1.00 0.00 C ATOM 514 OD1 ASP A 34 10.416 -14.890 -7.020 1.00 0.00 O ATOM 515 OD2 ASP A 34 12.460 -15.447 -6.437 1.00 0.00 O ATOM 0 H ASP A 34 11.821 -14.310 -3.509 1.00 0.00 H new ATOM 0 HA ASP A 34 9.407 -14.289 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.532 -16.386 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.052 -16.842 -5.167 1.00 0.00 H new ATOM 520 N ASP A 35 9.347 -16.389 -2.210 1.00 0.00 N ATOM 521 CA ASP A 35 8.457 -17.119 -1.315 1.00 0.00 C ATOM 522 C ASP A 35 7.332 -16.218 -0.815 1.00 0.00 C ATOM 523 O ASP A 35 6.163 -16.600 -0.836 1.00 0.00 O ATOM 524 CB ASP A 35 9.241 -17.683 -0.129 1.00 0.00 C ATOM 525 CG ASP A 35 8.638 -18.967 0.405 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.971 -20.046 -0.128 1.00 0.00 O ATOM 527 OD2 ASP A 35 7.834 -18.893 1.358 1.00 0.00 O ATOM 0 H ASP A 35 10.336 -16.462 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 35 8.016 -17.944 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.271 -17.868 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.272 -16.940 0.668 1.00 0.00 H new ATOM 532 N GLU A 36 7.695 -15.021 -0.364 1.00 0.00 N ATOM 533 CA GLU A 36 6.716 -14.067 0.144 1.00 0.00 C ATOM 534 C GLU A 36 5.771 -13.616 -0.966 1.00 0.00 C ATOM 535 O GLU A 36 4.550 -13.660 -0.812 1.00 0.00 O ATOM 536 CB GLU A 36 7.422 -12.854 0.753 1.00 0.00 C ATOM 537 CG GLU A 36 8.375 -13.207 1.882 1.00 0.00 C ATOM 538 CD GLU A 36 7.658 -13.462 3.193 1.00 0.00 C ATOM 539 OE1 GLU A 36 7.052 -12.512 3.732 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.703 -14.611 3.681 1.00 0.00 O ATOM 0 H GLU A 36 8.659 -14.689 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 36 6.130 -14.563 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.976 -12.336 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.672 -12.157 1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.946 -14.093 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.090 -12.396 2.015 1.00 0.00 H new ATOM 547 N PHE A 37 6.344 -13.181 -2.083 1.00 0.00 N ATOM 548 CA PHE A 37 5.553 -12.720 -3.218 1.00 0.00 C ATOM 549 C PHE A 37 4.439 -13.710 -3.544 1.00 0.00 C ATOM 550 O PHE A 37 3.332 -13.316 -3.907 1.00 0.00 O ATOM 551 CB PHE A 37 6.449 -12.521 -4.443 1.00 0.00 C ATOM 552 CG PHE A 37 7.044 -11.145 -4.534 1.00 0.00 C ATOM 553 CD1 PHE A 37 8.257 -10.859 -3.930 1.00 0.00 C ATOM 554 CD2 PHE A 37 6.389 -10.137 -5.223 1.00 0.00 C ATOM 555 CE1 PHE A 37 8.808 -9.594 -4.012 1.00 0.00 C ATOM 556 CE2 PHE A 37 6.934 -8.870 -5.309 1.00 0.00 C ATOM 557 CZ PHE A 37 8.145 -8.598 -4.702 1.00 0.00 C ATOM 0 H PHE A 37 7.353 -13.138 -2.227 1.00 0.00 H new ATOM 0 HA PHE A 37 5.099 -11.766 -2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.254 -13.255 -4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.868 -12.717 -5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.779 -11.634 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.442 -10.344 -5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.755 -9.385 -3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.414 -8.093 -5.850 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.572 -7.608 -4.767 1.00 0.00 H new ATOM 567 N GLU A 38 4.743 -14.998 -3.411 1.00 0.00 N ATOM 568 CA GLU A 38 3.767 -16.045 -3.692 1.00 0.00 C ATOM 569 C GLU A 38 2.517 -15.867 -2.836 1.00 0.00 C ATOM 570 O GLU A 38 1.395 -15.995 -3.326 1.00 0.00 O ATOM 571 CB GLU A 38 4.380 -17.424 -3.440 1.00 0.00 C ATOM 572 CG GLU A 38 5.107 -17.997 -4.646 1.00 0.00 C ATOM 573 CD GLU A 38 4.175 -18.283 -5.807 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.346 -19.210 -5.688 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.275 -17.581 -6.835 1.00 0.00 O ATOM 0 H GLU A 38 5.656 -15.341 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 38 3.481 -15.969 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.077 -17.355 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.591 -18.114 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.878 -17.296 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.614 -18.918 -4.356 1.00 0.00 H new ATOM 582 N GLN A 39 2.720 -15.573 -1.556 1.00 0.00 N ATOM 583 CA GLN A 39 1.609 -15.379 -0.632 1.00 0.00 C ATOM 584 C GLN A 39 0.584 -14.408 -1.208 1.00 0.00 C ATOM 585 O GLN A 39 -0.618 -14.678 -1.197 1.00 0.00 O ATOM 586 CB GLN A 39 2.121 -14.860 0.713 1.00 0.00 C ATOM 587 CG GLN A 39 2.937 -15.881 1.489 1.00 0.00 C ATOM 588 CD GLN A 39 2.072 -16.924 2.169 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.163 -17.487 1.559 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.351 -17.188 3.440 1.00 0.00 N ATOM 0 H GLN A 39 3.643 -15.464 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 39 1.124 -16.343 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.732 -13.973 0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.271 -14.549 1.320 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.632 -16.377 0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.537 -15.366 2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.114 -16.698 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.803 -17.881 3.949 1.00 0.00 H new ATOM 599 N LEU A 40 1.065 -13.277 -1.712 1.00 0.00 N ATOM 600 CA LEU A 40 0.191 -12.265 -2.293 1.00 0.00 C ATOM 601 C LEU A 40 -0.355 -12.726 -3.641 1.00 0.00 C ATOM 602 O LEU A 40 -1.528 -12.518 -3.951 1.00 0.00 O ATOM 603 CB LEU A 40 0.946 -10.945 -2.460 1.00 0.00 C ATOM 604 CG LEU A 40 1.466 -10.303 -1.174 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.702 -9.464 -1.459 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.382 -9.455 -0.525 1.00 0.00 C ATOM 0 H LEU A 40 2.056 -13.038 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.648 -12.113 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.792 -11.115 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.287 -10.233 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 40 1.742 -11.097 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.058 -9.015 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.483 -10.098 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.452 -8.677 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.770 -9.006 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.074 -8.668 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.476 -10.083 -0.285 1.00 0.00 H new ATOM 618 N SER A 41 0.504 -13.354 -4.438 1.00 0.00 N ATOM 619 CA SER A 41 0.109 -13.843 -5.753 1.00 0.00 C ATOM 620 C SER A 41 -1.039 -14.842 -5.639 1.00 0.00 C ATOM 621 O SER A 41 -1.860 -14.967 -6.547 1.00 0.00 O ATOM 622 CB SER A 41 1.300 -14.497 -6.457 1.00 0.00 C ATOM 623 OG SER A 41 1.365 -15.882 -6.169 1.00 0.00 O ATOM 0 H SER A 41 1.478 -13.536 -4.195 1.00 0.00 H new ATOM 0 HA SER A 41 -0.230 -12.991 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.215 -14.350 -7.534 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.224 -14.013 -6.141 1.00 0.00 H new ATOM 0 HG SER A 41 1.365 -16.015 -5.198 1.00 0.00 H new ATOM 629 N ASN A 42 -1.089 -15.552 -4.517 1.00 0.00 N ATOM 630 CA ASN A 42 -2.135 -16.540 -4.282 1.00 0.00 C ATOM 631 C ASN A 42 -3.400 -15.877 -3.746 1.00 0.00 C ATOM 632 O ASN A 42 -4.515 -16.304 -4.049 1.00 0.00 O ATOM 633 CB ASN A 42 -1.648 -17.606 -3.299 1.00 0.00 C ATOM 634 CG ASN A 42 -0.892 -18.726 -3.987 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.482 -19.548 -4.690 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.420 -18.764 -3.789 1.00 0.00 N ATOM 0 H ASN A 42 -0.416 -15.461 -3.755 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.371 -17.015 -5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.003 -17.141 -2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.503 -18.022 -2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.981 -19.495 -4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.867 -18.063 -3.199 1.00 0.00 H new ATOM 643 N LEU A 43 -3.219 -14.830 -2.948 1.00 0.00 N ATOM 644 CA LEU A 43 -4.346 -14.107 -2.368 1.00 0.00 C ATOM 645 C LEU A 43 -5.059 -13.272 -3.427 1.00 0.00 C ATOM 646 O LEU A 43 -6.254 -13.445 -3.669 1.00 0.00 O ATOM 647 CB LEU A 43 -3.866 -13.205 -1.229 1.00 0.00 C ATOM 648 CG LEU A 43 -4.829 -12.098 -0.799 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.161 -12.688 -0.363 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.220 -11.267 0.321 1.00 0.00 C ATOM 0 H LEU A 43 -2.304 -14.463 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.051 -14.838 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.653 -13.830 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.925 -12.744 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.007 -11.446 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.833 -11.885 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.604 -13.239 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.002 -13.364 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.919 -10.484 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.012 -11.908 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.292 -10.813 -0.026 1.00 0.00 H new ATOM 662 N LEU A 44 -4.318 -12.367 -4.057 1.00 0.00 N ATOM 663 CA LEU A 44 -4.878 -11.506 -5.093 1.00 0.00 C ATOM 664 C LEU A 44 -5.078 -12.277 -6.394 1.00 0.00 C ATOM 665 O LEU A 44 -5.758 -11.810 -7.305 1.00 0.00 O ATOM 666 CB LEU A 44 -3.963 -10.304 -5.335 1.00 0.00 C ATOM 667 CG LEU A 44 -3.619 -9.464 -4.104 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.501 -8.483 -4.423 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.851 -8.726 -3.600 1.00 0.00 C ATOM 0 H LEU A 44 -3.328 -12.210 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.850 -11.152 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.033 -10.663 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.436 -9.655 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.274 -10.133 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.270 -7.894 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.613 -9.032 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.818 -7.819 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.587 -8.134 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.227 -8.068 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.623 -9.447 -3.331 1.00 0.00 H new ATOM 681 N ASN A 45 -4.481 -13.462 -6.470 1.00 0.00 N ATOM 682 CA ASN A 45 -4.594 -14.300 -7.659 1.00 0.00 C ATOM 683 C ASN A 45 -3.914 -13.641 -8.855 1.00 0.00 C ATOM 684 O ASN A 45 -4.310 -13.853 -10.002 1.00 0.00 O ATOM 685 CB ASN A 45 -6.065 -14.570 -7.979 1.00 0.00 C ATOM 686 CG ASN A 45 -6.241 -15.677 -9.001 1.00 0.00 C ATOM 687 OD1 ASN A 45 -6.861 -15.480 -10.046 1.00 0.00 O ATOM 688 ND2 ASN A 45 -5.694 -16.850 -8.702 1.00 0.00 N ATOM 0 H ASN A 45 -3.914 -13.864 -5.723 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.094 -15.247 -7.456 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.590 -14.839 -7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.526 -13.656 -8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.779 -17.633 -9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.189 -16.968 -7.824 1.00 0.00 H new ATOM 695 N LEU A 46 -2.890 -12.842 -8.580 1.00 0.00 N ATOM 696 CA LEU A 46 -2.153 -12.152 -9.634 1.00 0.00 C ATOM 697 C LEU A 46 -0.743 -12.717 -9.773 1.00 0.00 C ATOM 698 O LEU A 46 -0.163 -13.244 -8.824 1.00 0.00 O ATOM 699 CB LEU A 46 -2.087 -10.652 -9.339 1.00 0.00 C ATOM 700 CG LEU A 46 -3.430 -9.927 -9.244 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.242 -8.528 -8.679 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.101 -9.867 -10.608 1.00 0.00 C ATOM 0 H LEU A 46 -2.550 -12.655 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.681 -12.309 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.553 -10.510 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.493 -10.174 -10.119 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.076 -10.486 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.208 -8.027 -8.619 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.804 -8.594 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.578 -7.959 -9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.055 -9.348 -10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.458 -9.331 -11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.271 -10.879 -10.975 1.00 0.00 H new ATOM 714 N PRO A 47 -0.177 -12.604 -10.983 1.00 0.00 N ATOM 715 CA PRO A 47 1.173 -13.095 -11.275 1.00 0.00 C ATOM 716 C PRO A 47 2.253 -12.268 -10.584 1.00 0.00 C ATOM 717 O PRO A 47 2.234 -11.038 -10.633 1.00 0.00 O ATOM 718 CB PRO A 47 1.282 -12.953 -12.795 1.00 0.00 C ATOM 719 CG PRO A 47 0.322 -11.869 -13.144 1.00 0.00 C ATOM 720 CD PRO A 47 -0.810 -11.987 -12.161 1.00 0.00 C ATOM 0 HA PRO A 47 1.322 -14.114 -10.917 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.297 -12.695 -13.097 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.027 -13.885 -13.299 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.797 -10.890 -13.077 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.037 -11.980 -14.167 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.238 -11.013 -11.923 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.619 -12.604 -12.552 1.00 0.00 H new ATOM 728 N THR A 48 3.194 -12.952 -9.940 1.00 0.00 N ATOM 729 CA THR A 48 4.281 -12.281 -9.239 1.00 0.00 C ATOM 730 C THR A 48 4.893 -11.180 -10.098 1.00 0.00 C ATOM 731 O THR A 48 5.310 -10.140 -9.586 1.00 0.00 O ATOM 732 CB THR A 48 5.386 -13.274 -8.834 1.00 0.00 C ATOM 733 OG1 THR A 48 5.621 -14.205 -9.897 1.00 0.00 O ATOM 734 CG2 THR A 48 5.001 -14.027 -7.569 1.00 0.00 C ATOM 0 H THR A 48 3.225 -13.970 -9.890 1.00 0.00 H new ATOM 0 HA THR A 48 3.852 -11.840 -8.339 1.00 0.00 H new ATOM 0 HB THR A 48 6.297 -12.709 -8.638 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.326 -14.832 -9.633 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.797 -14.722 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.851 -13.318 -6.755 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.078 -14.581 -7.742 1.00 0.00 H new ATOM 742 N ARG A 49 4.942 -11.414 -11.405 1.00 0.00 N ATOM 743 CA ARG A 49 5.504 -10.442 -12.335 1.00 0.00 C ATOM 744 C ARG A 49 4.771 -9.107 -12.234 1.00 0.00 C ATOM 745 O ARG A 49 5.375 -8.043 -12.370 1.00 0.00 O ATOM 746 CB ARG A 49 5.426 -10.971 -13.768 1.00 0.00 C ATOM 747 CG ARG A 49 4.114 -10.652 -14.465 1.00 0.00 C ATOM 748 CD ARG A 49 4.184 -9.324 -15.203 1.00 0.00 C ATOM 749 NE ARG A 49 4.663 -9.484 -16.573 1.00 0.00 N ATOM 750 CZ ARG A 49 5.233 -8.508 -17.271 1.00 0.00 C ATOM 751 NH1 ARG A 49 5.396 -7.309 -16.729 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.643 -8.731 -18.513 1.00 0.00 N ATOM 0 H ARG A 49 4.599 -12.268 -11.844 1.00 0.00 H new ATOM 0 HA ARG A 49 6.549 -10.285 -12.069 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.247 -10.549 -14.347 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.567 -12.052 -13.755 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.872 -11.448 -15.169 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.309 -10.620 -13.731 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.196 -8.864 -15.216 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.845 -8.645 -14.665 1.00 0.00 H new ATOM 0 HE ARG A 49 4.554 -10.395 -17.018 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.083 -7.134 -15.774 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.834 -6.561 -17.267 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.521 -9.653 -18.933 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.081 -7.981 -19.048 1.00 0.00 H new ATOM 766 N VAL A 50 3.465 -9.172 -11.994 1.00 0.00 N ATOM 767 CA VAL A 50 2.649 -7.969 -11.875 1.00 0.00 C ATOM 768 C VAL A 50 2.854 -7.299 -10.521 1.00 0.00 C ATOM 769 O VAL A 50 2.865 -6.072 -10.419 1.00 0.00 O ATOM 770 CB VAL A 50 1.153 -8.285 -12.058 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.297 -7.146 -11.526 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.842 -8.557 -13.522 1.00 0.00 C ATOM 0 H VAL A 50 2.950 -10.045 -11.878 1.00 0.00 H new ATOM 0 HA VAL A 50 2.968 -7.290 -12.666 1.00 0.00 H new ATOM 0 HB VAL A 50 0.917 -9.182 -11.486 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.757 -7.388 -11.664 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.500 -7.003 -10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.533 -6.230 -12.067 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.219 -8.779 -13.633 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.094 -7.679 -14.117 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.429 -9.409 -13.866 1.00 0.00 H new ATOM 782 N ILE A 51 3.016 -8.113 -9.483 1.00 0.00 N ATOM 783 CA ILE A 51 3.222 -7.598 -8.134 1.00 0.00 C ATOM 784 C ILE A 51 4.631 -7.040 -7.968 1.00 0.00 C ATOM 785 O ILE A 51 4.851 -6.099 -7.206 1.00 0.00 O ATOM 786 CB ILE A 51 2.986 -8.689 -7.073 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.692 -9.450 -7.371 1.00 0.00 C ATOM 788 CG2 ILE A 51 2.937 -8.074 -5.683 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.549 -10.732 -6.581 1.00 0.00 C ATOM 0 H ILE A 51 3.009 -9.131 -9.550 1.00 0.00 H new ATOM 0 HA ILE A 51 2.497 -6.797 -7.988 1.00 0.00 H new ATOM 0 HB ILE A 51 3.816 -9.394 -7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.842 -8.803 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.654 -9.682 -8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.770 -8.858 -4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.882 -7.573 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.124 -7.350 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.609 -11.218 -6.843 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.380 -11.398 -6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.555 -10.505 -5.515 1.00 0.00 H new ATOM 801 N VAL A 52 5.582 -7.625 -8.689 1.00 0.00 N ATOM 802 CA VAL A 52 6.970 -7.184 -8.624 1.00 0.00 C ATOM 803 C VAL A 52 7.128 -5.779 -9.195 1.00 0.00 C ATOM 804 O VAL A 52 7.629 -4.877 -8.523 1.00 0.00 O ATOM 805 CB VAL A 52 7.900 -8.144 -9.390 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.331 -7.628 -9.372 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.822 -9.544 -8.800 1.00 0.00 C ATOM 0 H VAL A 52 5.417 -8.405 -9.325 1.00 0.00 H new ATOM 0 HA VAL A 52 7.251 -7.179 -7.571 1.00 0.00 H new ATOM 0 HB VAL A 52 7.570 -8.193 -10.428 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.974 -8.319 -9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.370 -6.646 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.676 -7.549 -8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.485 -10.209 -9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.127 -9.515 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.798 -9.912 -8.870 1.00 0.00 H new ATOM 817 N VAL A 53 6.696 -5.599 -10.439 1.00 0.00 N ATOM 818 CA VAL A 53 6.788 -4.303 -11.101 1.00 0.00 C ATOM 819 C VAL A 53 6.166 -3.205 -10.246 1.00 0.00 C ATOM 820 O VAL A 53 6.688 -2.093 -10.170 1.00 0.00 O ATOM 821 CB VAL A 53 6.093 -4.324 -12.475 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.136 -2.946 -13.117 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.736 -5.363 -13.381 1.00 0.00 C ATOM 0 H VAL A 53 6.279 -6.335 -11.009 1.00 0.00 H new ATOM 0 HA VAL A 53 7.848 -4.094 -11.242 1.00 0.00 H new ATOM 0 HB VAL A 53 5.048 -4.598 -12.330 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.640 -2.981 -14.087 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.626 -2.229 -12.474 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.173 -2.639 -13.251 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.232 -5.364 -14.348 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.790 -5.122 -13.521 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.647 -6.349 -12.924 1.00 0.00 H new ATOM 833 N TRP A 54 5.048 -3.524 -9.603 1.00 0.00 N ATOM 834 CA TRP A 54 4.355 -2.564 -8.752 1.00 0.00 C ATOM 835 C TRP A 54 5.187 -2.229 -7.519 1.00 0.00 C ATOM 836 O TRP A 54 5.321 -1.064 -7.147 1.00 0.00 O ATOM 837 CB TRP A 54 2.993 -3.117 -8.329 1.00 0.00 C ATOM 838 CG TRP A 54 2.176 -2.142 -7.536 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.126 -1.395 -7.987 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.345 -1.809 -6.154 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.632 -0.616 -6.968 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.361 -0.853 -5.833 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.229 -2.226 -5.155 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.241 -0.308 -4.557 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.108 -1.685 -3.890 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.120 -0.735 -3.599 1.00 0.00 C ATOM 0 H TRP A 54 4.602 -4.440 -9.655 1.00 0.00 H new ATOM 0 HA TRP A 54 4.206 -1.649 -9.325 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.435 -3.408 -9.219 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.143 -4.020 -7.737 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.740 -1.413 -8.996 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.151 0.033 -7.045 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.993 -2.958 -5.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.481 0.426 -4.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.787 -2.000 -3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.051 -0.332 -2.599 1.00 0.00 H new ATOM 857 N PHE A 55 5.743 -3.259 -6.889 1.00 0.00 N ATOM 858 CA PHE A 55 6.562 -3.073 -5.697 1.00 0.00 C ATOM 859 C PHE A 55 7.841 -2.310 -6.028 1.00 0.00 C ATOM 860 O PHE A 55 8.288 -1.462 -5.256 1.00 0.00 O ATOM 861 CB PHE A 55 6.909 -4.427 -5.075 1.00 0.00 C ATOM 862 CG PHE A 55 5.915 -4.887 -4.047 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.592 -5.108 -4.394 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.304 -5.098 -2.734 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.675 -5.532 -3.450 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.392 -5.522 -1.786 1.00 0.00 C ATOM 867 CZ PHE A 55 4.075 -5.738 -2.145 1.00 0.00 C ATOM 0 H PHE A 55 5.641 -4.230 -7.184 1.00 0.00 H new ATOM 0 HA PHE A 55 5.987 -2.488 -4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.975 -5.175 -5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.894 -4.364 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.273 -4.947 -5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.332 -4.929 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.647 -5.702 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.708 -5.684 -0.766 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.360 -6.067 -1.406 1.00 0.00 H new ATOM 877 N GLN A 56 8.425 -2.619 -7.182 1.00 0.00 N ATOM 878 CA GLN A 56 9.653 -1.963 -7.615 1.00 0.00 C ATOM 879 C GLN A 56 9.463 -0.453 -7.702 1.00 0.00 C ATOM 880 O GLN A 56 10.246 0.314 -7.144 1.00 0.00 O ATOM 881 CB GLN A 56 10.097 -2.512 -8.972 1.00 0.00 C ATOM 882 CG GLN A 56 10.866 -3.820 -8.878 1.00 0.00 C ATOM 883 CD GLN A 56 11.852 -4.001 -10.015 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.396 -3.029 -10.541 1.00 0.00 O ATOM 885 NE2 GLN A 56 12.089 -5.249 -10.401 1.00 0.00 N ATOM 0 H GLN A 56 8.068 -3.319 -7.833 1.00 0.00 H new ATOM 0 HA GLN A 56 10.426 -2.171 -6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.218 -2.661 -9.599 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.721 -1.769 -9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.401 -3.855 -7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.162 -4.652 -8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.616 -6.025 -9.937 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.744 -5.432 -11.161 1.00 0.00 H new ATOM 894 N ASN A 57 8.417 -0.032 -8.406 1.00 0.00 N ATOM 895 CA ASN A 57 8.124 1.387 -8.567 1.00 0.00 C ATOM 896 C ASN A 57 7.878 2.048 -7.214 1.00 0.00 C ATOM 897 O ASN A 57 8.511 3.048 -6.876 1.00 0.00 O ATOM 898 CB ASN A 57 6.904 1.579 -9.471 1.00 0.00 C ATOM 899 CG ASN A 57 7.242 1.417 -10.940 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.745 2.341 -11.579 1.00 0.00 O ATOM 901 ND2 ASN A 57 6.966 0.237 -11.484 1.00 0.00 N ATOM 0 H ASN A 57 7.758 -0.654 -8.874 1.00 0.00 H new ATOM 0 HA ASN A 57 8.989 1.861 -9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.135 0.858 -9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.485 2.571 -9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.171 0.069 -12.469 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.549 -0.501 -10.917 1.00 0.00 H new ATOM 908 N ALA A 58 6.954 1.482 -6.445 1.00 0.00 N ATOM 909 CA ALA A 58 6.626 2.014 -5.128 1.00 0.00 C ATOM 910 C ALA A 58 7.883 2.449 -4.383 1.00 0.00 C ATOM 911 O ALA A 58 7.886 3.470 -3.695 1.00 0.00 O ATOM 912 CB ALA A 58 5.860 0.980 -4.317 1.00 0.00 C ATOM 0 H ALA A 58 6.419 0.655 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 58 5.995 2.892 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.622 1.391 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.937 0.721 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.472 0.086 -4.197 1.00 0.00 H new ATOM 918 N ARG A 59 8.949 1.668 -4.523 1.00 0.00 N ATOM 919 CA ARG A 59 10.212 1.972 -3.861 1.00 0.00 C ATOM 920 C ARG A 59 10.842 3.233 -4.445 1.00 0.00 C ATOM 921 O ARG A 59 11.308 4.103 -3.710 1.00 0.00 O ATOM 922 CB ARG A 59 11.180 0.796 -3.997 1.00 0.00 C ATOM 923 CG ARG A 59 10.803 -0.404 -3.143 1.00 0.00 C ATOM 924 CD ARG A 59 11.833 -1.517 -3.262 1.00 0.00 C ATOM 925 NE ARG A 59 13.196 -0.997 -3.325 1.00 0.00 N ATOM 926 CZ ARG A 59 13.783 -0.608 -4.451 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.129 -0.679 -5.602 1.00 0.00 N ATOM 928 NH2 ARG A 59 15.027 -0.145 -4.428 1.00 0.00 N ATOM 0 H ARG A 59 8.963 0.820 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 59 10.007 2.144 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.221 0.489 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.182 1.127 -3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.716 -0.097 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.825 -0.777 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.741 -2.189 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.628 -2.106 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 59 13.726 -0.929 -2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.173 -1.033 -5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.582 -0.380 -6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.534 -0.088 -3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.476 0.153 -5.294 1.00 0.00 H new