USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 382 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= -0.635 USER MOD Single : A 18 GLN : amide:sc= -2.4 K(o=-2.4,f=-11!) USER MOD Single : A 24 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.5!) USER MOD Single : A 27 GLN : amide:sc= -0.0496 K(o=-0.05,f=-0.72) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 0.0525 (180deg=0.0229) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.447 K(o=-0.45,f=-3.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc=-0.00156 (180deg=-0.113) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -0.217 (180deg=-1.3) USER MOD Single : A 57 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 189 N PHE A 14 -11.110 1.889 -1.599 1.00 0.00 N ATOM 190 CA PHE A 14 -11.081 1.264 -0.281 1.00 0.00 C ATOM 191 C PHE A 14 -12.000 1.999 0.689 1.00 0.00 C ATOM 192 O PHE A 14 -12.403 3.137 0.441 1.00 0.00 O ATOM 193 CB PHE A 14 -9.652 1.246 0.266 1.00 0.00 C ATOM 194 CG PHE A 14 -8.675 0.540 -0.630 1.00 0.00 C ATOM 195 CD1 PHE A 14 -8.829 -0.806 -0.921 1.00 0.00 C ATOM 196 CD2 PHE A 14 -7.603 1.223 -1.181 1.00 0.00 C ATOM 197 CE1 PHE A 14 -7.932 -1.458 -1.745 1.00 0.00 C ATOM 198 CE2 PHE A 14 -6.703 0.575 -2.007 1.00 0.00 C ATOM 199 CZ PHE A 14 -6.867 -0.767 -2.288 1.00 0.00 C ATOM 0 HA PHE A 14 -11.436 0.239 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.317 2.272 0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.652 0.762 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.660 -1.352 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.469 2.272 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.064 -2.507 -1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.872 1.118 -2.432 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.164 -1.275 -2.931 1.00 0.00 H new ATOM 209 N THR A 15 -12.330 1.342 1.797 1.00 0.00 N ATOM 210 CA THR A 15 -13.203 1.930 2.804 1.00 0.00 C ATOM 211 C THR A 15 -12.395 2.643 3.883 1.00 0.00 C ATOM 212 O THR A 15 -11.197 2.405 4.034 1.00 0.00 O ATOM 213 CB THR A 15 -14.094 0.863 3.468 1.00 0.00 C ATOM 214 OG1 THR A 15 -13.281 -0.105 4.140 1.00 0.00 O ATOM 215 CG2 THR A 15 -14.968 0.169 2.434 1.00 0.00 C ATOM 0 H THR A 15 -12.005 0.401 2.019 1.00 0.00 H new ATOM 0 HA THR A 15 -13.836 2.653 2.290 1.00 0.00 H new ATOM 0 HB THR A 15 -14.740 1.360 4.192 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.855 -0.779 4.561 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.588 -0.580 2.926 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.607 0.905 1.945 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.336 -0.315 1.690 1.00 0.00 H new ATOM 223 N ASP A 16 -13.059 3.518 4.630 1.00 0.00 N ATOM 224 CA ASP A 16 -12.402 4.265 5.697 1.00 0.00 C ATOM 225 C ASP A 16 -11.552 3.342 6.564 1.00 0.00 C ATOM 226 O ASP A 16 -10.404 3.653 6.877 1.00 0.00 O ATOM 227 CB ASP A 16 -13.441 4.982 6.560 1.00 0.00 C ATOM 228 CG ASP A 16 -14.585 4.073 6.964 1.00 0.00 C ATOM 229 OD1 ASP A 16 -15.531 3.918 6.163 1.00 0.00 O ATOM 230 OD2 ASP A 16 -14.534 3.517 8.081 1.00 0.00 O ATOM 0 H ASP A 16 -14.051 3.728 4.517 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.748 5.006 5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.958 5.373 7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.836 5.837 6.012 1.00 0.00 H new ATOM 235 N GLU A 17 -12.126 2.205 6.948 1.00 0.00 N ATOM 236 CA GLU A 17 -11.420 1.238 7.781 1.00 0.00 C ATOM 237 C GLU A 17 -10.190 0.694 7.060 1.00 0.00 C ATOM 238 O GLU A 17 -9.116 0.577 7.648 1.00 0.00 O ATOM 239 CB GLU A 17 -12.352 0.086 8.163 1.00 0.00 C ATOM 240 CG GLU A 17 -11.777 -0.834 9.227 1.00 0.00 C ATOM 241 CD GLU A 17 -12.851 -1.482 10.080 1.00 0.00 C ATOM 242 OE1 GLU A 17 -13.328 -2.573 9.703 1.00 0.00 O ATOM 243 OE2 GLU A 17 -13.214 -0.898 11.122 1.00 0.00 O ATOM 0 H GLU A 17 -13.076 1.932 6.696 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.092 1.747 8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.296 0.497 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.577 -0.499 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.181 -1.611 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.103 -0.266 9.868 1.00 0.00 H new ATOM 250 N GLN A 18 -10.358 0.364 5.783 1.00 0.00 N ATOM 251 CA GLN A 18 -9.261 -0.168 4.982 1.00 0.00 C ATOM 252 C GLN A 18 -8.115 0.834 4.895 1.00 0.00 C ATOM 253 O GLN A 18 -6.959 0.494 5.151 1.00 0.00 O ATOM 254 CB GLN A 18 -9.753 -0.522 3.578 1.00 0.00 C ATOM 255 CG GLN A 18 -10.653 -1.747 3.539 1.00 0.00 C ATOM 256 CD GLN A 18 -11.134 -2.074 2.140 1.00 0.00 C ATOM 257 OE1 GLN A 18 -11.094 -1.230 1.244 1.00 0.00 O ATOM 258 NE2 GLN A 18 -11.594 -3.304 1.943 1.00 0.00 N ATOM 0 H GLN A 18 -11.242 0.455 5.282 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.893 -1.071 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.295 0.330 3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.891 -0.694 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.112 -2.603 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.515 -1.581 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.609 -3.972 2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.932 -3.581 1.021 1.00 0.00 H new ATOM 267 N LEU A 19 -8.441 2.069 4.531 1.00 0.00 N ATOM 268 CA LEU A 19 -7.438 3.121 4.409 1.00 0.00 C ATOM 269 C LEU A 19 -6.831 3.454 5.767 1.00 0.00 C ATOM 270 O LEU A 19 -5.625 3.674 5.881 1.00 0.00 O ATOM 271 CB LEU A 19 -8.060 4.376 3.794 1.00 0.00 C ATOM 272 CG LEU A 19 -8.227 4.367 2.274 1.00 0.00 C ATOM 273 CD1 LEU A 19 -8.971 5.610 1.811 1.00 0.00 C ATOM 274 CD2 LEU A 19 -6.872 4.269 1.589 1.00 0.00 C ATOM 0 H LEU A 19 -9.392 2.367 4.315 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.644 2.759 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.040 4.530 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.444 5.233 4.067 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.816 3.492 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.080 5.586 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.957 5.638 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.410 6.499 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.010 4.264 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.258 5.124 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.375 3.349 1.896 1.00 0.00 H new ATOM 286 N GLU A 20 -7.673 3.487 6.795 1.00 0.00 N ATOM 287 CA GLU A 20 -7.217 3.792 8.146 1.00 0.00 C ATOM 288 C GLU A 20 -6.052 2.891 8.543 1.00 0.00 C ATOM 289 O GLU A 20 -5.014 3.367 9.003 1.00 0.00 O ATOM 290 CB GLU A 20 -8.366 3.629 9.145 1.00 0.00 C ATOM 291 CG GLU A 20 -7.936 3.775 10.595 1.00 0.00 C ATOM 292 CD GLU A 20 -9.111 3.968 11.534 1.00 0.00 C ATOM 293 OE1 GLU A 20 -9.996 3.087 11.566 1.00 0.00 O ATOM 294 OE2 GLU A 20 -9.146 5.000 12.236 1.00 0.00 O ATOM 0 H GLU A 20 -8.674 3.306 6.718 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.875 4.827 8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.135 4.370 8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.821 2.648 9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.377 2.889 10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.259 4.625 10.686 1.00 0.00 H new ATOM 301 N ALA A 21 -6.231 1.587 8.363 1.00 0.00 N ATOM 302 CA ALA A 21 -5.195 0.619 8.701 1.00 0.00 C ATOM 303 C ALA A 21 -3.966 0.799 7.816 1.00 0.00 C ATOM 304 O ALA A 21 -2.874 1.091 8.304 1.00 0.00 O ATOM 305 CB ALA A 21 -5.735 -0.798 8.575 1.00 0.00 C ATOM 0 H ALA A 21 -7.084 1.176 7.985 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.895 0.791 9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.951 -1.510 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.578 -0.928 9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.064 -0.972 7.551 1.00 0.00 H new ATOM 311 N LEU A 22 -4.151 0.623 6.512 1.00 0.00 N ATOM 312 CA LEU A 22 -3.056 0.765 5.558 1.00 0.00 C ATOM 313 C LEU A 22 -2.232 2.013 5.858 1.00 0.00 C ATOM 314 O LEU A 22 -1.002 1.971 5.856 1.00 0.00 O ATOM 315 CB LEU A 22 -3.603 0.832 4.131 1.00 0.00 C ATOM 316 CG LEU A 22 -4.392 -0.389 3.657 1.00 0.00 C ATOM 317 CD1 LEU A 22 -5.102 -0.090 2.346 1.00 0.00 C ATOM 318 CD2 LEU A 22 -3.473 -1.593 3.506 1.00 0.00 C ATOM 0 H LEU A 22 -5.048 0.382 6.091 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.409 -0.107 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.246 1.709 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.766 0.986 3.449 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.145 -0.625 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.658 -0.971 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.791 0.743 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.367 0.172 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.052 -2.452 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.696 -1.368 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.012 -1.821 4.467 1.00 0.00 H new ATOM 330 N GLU A 23 -2.919 3.122 6.117 1.00 0.00 N ATOM 331 CA GLU A 23 -2.249 4.381 6.420 1.00 0.00 C ATOM 332 C GLU A 23 -1.549 4.313 7.774 1.00 0.00 C ATOM 333 O GLU A 23 -0.453 4.845 7.945 1.00 0.00 O ATOM 334 CB GLU A 23 -3.255 5.534 6.410 1.00 0.00 C ATOM 335 CG GLU A 23 -3.420 6.187 5.048 1.00 0.00 C ATOM 336 CD GLU A 23 -4.055 7.561 5.133 1.00 0.00 C ATOM 337 OE1 GLU A 23 -3.316 8.542 5.365 1.00 0.00 O ATOM 338 OE2 GLU A 23 -5.289 7.657 4.967 1.00 0.00 O ATOM 0 H GLU A 23 -3.938 3.174 6.123 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.497 4.558 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.223 5.163 6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.937 6.289 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.445 6.271 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.033 5.546 4.414 1.00 0.00 H new ATOM 345 N ASN A 24 -2.193 3.656 8.733 1.00 0.00 N ATOM 346 CA ASN A 24 -1.633 3.519 10.073 1.00 0.00 C ATOM 347 C ASN A 24 -0.355 2.687 10.047 1.00 0.00 C ATOM 348 O ASN A 24 0.548 2.889 10.860 1.00 0.00 O ATOM 349 CB ASN A 24 -2.655 2.874 11.012 1.00 0.00 C ATOM 350 CG ASN A 24 -3.626 3.885 11.591 1.00 0.00 C ATOM 351 OD1 ASN A 24 -3.263 5.031 11.854 1.00 0.00 O ATOM 352 ND2 ASN A 24 -4.869 3.463 11.794 1.00 0.00 N ATOM 0 H ASN A 24 -3.102 3.211 8.608 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.389 4.516 10.441 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.211 2.109 10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.131 2.371 11.825 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.566 4.098 12.183 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.126 2.504 11.561 1.00 0.00 H new ATOM 359 N LEU A 25 -0.284 1.751 9.107 1.00 0.00 N ATOM 360 CA LEU A 25 0.884 0.887 8.973 1.00 0.00 C ATOM 361 C LEU A 25 1.956 1.551 8.114 1.00 0.00 C ATOM 362 O LEU A 25 3.118 1.638 8.511 1.00 0.00 O ATOM 363 CB LEU A 25 0.482 -0.456 8.360 1.00 0.00 C ATOM 364 CG LEU A 25 1.629 -1.406 8.016 1.00 0.00 C ATOM 365 CD1 LEU A 25 2.283 -1.935 9.283 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.129 -2.555 7.153 1.00 0.00 C ATOM 0 H LEU A 25 -1.022 1.571 8.426 1.00 0.00 H new ATOM 0 HA LEU A 25 1.296 0.716 9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.188 -0.964 9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.088 -0.262 7.451 1.00 0.00 H new ATOM 0 HG LEU A 25 2.377 -0.851 7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.097 -2.610 9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.677 -1.101 9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.544 -2.474 9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.959 -3.221 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.361 -3.109 7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.708 -2.159 6.229 1.00 0.00 H new ATOM 378 N PHE A 26 1.557 2.019 6.936 1.00 0.00 N ATOM 379 CA PHE A 26 2.483 2.676 6.021 1.00 0.00 C ATOM 380 C PHE A 26 3.135 3.886 6.684 1.00 0.00 C ATOM 381 O PHE A 26 4.311 4.170 6.460 1.00 0.00 O ATOM 382 CB PHE A 26 1.754 3.109 4.747 1.00 0.00 C ATOM 383 CG PHE A 26 2.609 3.914 3.812 1.00 0.00 C ATOM 384 CD1 PHE A 26 3.586 3.301 3.043 1.00 0.00 C ATOM 385 CD2 PHE A 26 2.437 5.285 3.701 1.00 0.00 C ATOM 386 CE1 PHE A 26 4.374 4.041 2.182 1.00 0.00 C ATOM 387 CE2 PHE A 26 3.222 6.029 2.841 1.00 0.00 C ATOM 388 CZ PHE A 26 4.192 5.406 2.080 1.00 0.00 C ATOM 0 H PHE A 26 0.599 1.955 6.593 1.00 0.00 H new ATOM 0 HA PHE A 26 3.264 1.962 5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.394 2.223 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.877 3.696 5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.733 2.234 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.680 5.778 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.132 3.552 1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.077 7.096 2.764 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.807 5.985 1.407 1.00 0.00 H new ATOM 398 N GLN A 27 2.361 4.595 7.499 1.00 0.00 N ATOM 399 CA GLN A 27 2.862 5.776 8.193 1.00 0.00 C ATOM 400 C GLN A 27 3.986 5.405 9.155 1.00 0.00 C ATOM 401 O GLN A 27 5.054 6.016 9.140 1.00 0.00 O ATOM 402 CB GLN A 27 1.729 6.464 8.956 1.00 0.00 C ATOM 403 CG GLN A 27 0.844 7.334 8.077 1.00 0.00 C ATOM 404 CD GLN A 27 1.513 8.636 7.683 1.00 0.00 C ATOM 405 OE1 GLN A 27 2.205 9.260 8.489 1.00 0.00 O ATOM 406 NE2 GLN A 27 1.310 9.053 6.439 1.00 0.00 N ATOM 0 H GLN A 27 1.385 4.373 7.695 1.00 0.00 H new ATOM 0 HA GLN A 27 3.259 6.464 7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.114 5.705 9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.156 7.079 9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.576 6.781 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.084 7.552 8.605 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.729 8.504 5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.735 9.923 6.117 1.00 0.00 H new ATOM 415 N GLU A 28 3.738 4.401 9.990 1.00 0.00 N ATOM 416 CA GLU A 28 4.730 3.951 10.959 1.00 0.00 C ATOM 417 C GLU A 28 5.935 3.331 10.256 1.00 0.00 C ATOM 418 O GLU A 28 7.077 3.516 10.678 1.00 0.00 O ATOM 419 CB GLU A 28 4.111 2.936 11.923 1.00 0.00 C ATOM 420 CG GLU A 28 3.569 1.695 11.234 1.00 0.00 C ATOM 421 CD GLU A 28 3.220 0.590 12.213 1.00 0.00 C ATOM 422 OE1 GLU A 28 3.993 0.379 13.171 1.00 0.00 O ATOM 423 OE2 GLU A 28 2.173 -0.063 12.021 1.00 0.00 O ATOM 0 H GLU A 28 2.859 3.884 10.015 1.00 0.00 H new ATOM 0 HA GLU A 28 5.067 4.820 11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.862 2.637 12.654 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.303 3.417 12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.681 1.961 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.309 1.326 10.524 1.00 0.00 H new ATOM 430 N THR A 29 5.671 2.594 9.182 1.00 0.00 N ATOM 431 CA THR A 29 6.732 1.945 8.422 1.00 0.00 C ATOM 432 C THR A 29 6.477 2.051 6.922 1.00 0.00 C ATOM 433 O THR A 29 5.368 1.800 6.451 1.00 0.00 O ATOM 434 CB THR A 29 6.869 0.459 8.804 1.00 0.00 C ATOM 435 OG1 THR A 29 8.131 -0.048 8.353 1.00 0.00 O ATOM 436 CG2 THR A 29 5.741 -0.362 8.198 1.00 0.00 C ATOM 0 H THR A 29 4.732 2.432 8.819 1.00 0.00 H new ATOM 0 HA THR A 29 7.659 2.462 8.668 1.00 0.00 H new ATOM 0 HB THR A 29 6.812 0.379 9.890 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.212 -0.993 8.601 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.859 -1.408 8.482 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.784 0.008 8.566 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.771 -0.275 7.112 1.00 0.00 H new ATOM 444 N LYS A 30 7.511 2.423 6.176 1.00 0.00 N ATOM 445 CA LYS A 30 7.401 2.561 4.728 1.00 0.00 C ATOM 446 C LYS A 30 7.177 1.204 4.069 1.00 0.00 C ATOM 447 O LYS A 30 6.322 1.061 3.195 1.00 0.00 O ATOM 448 CB LYS A 30 8.662 3.214 4.160 1.00 0.00 C ATOM 449 CG LYS A 30 8.720 4.716 4.378 1.00 0.00 C ATOM 450 CD LYS A 30 7.888 5.462 3.348 1.00 0.00 C ATOM 451 CE LYS A 30 7.397 6.796 3.888 1.00 0.00 C ATOM 452 NZ LYS A 30 6.246 6.628 4.818 1.00 0.00 N ATOM 0 H LYS A 30 8.436 2.635 6.550 1.00 0.00 H new ATOM 0 HA LYS A 30 6.542 3.197 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.537 2.755 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.718 3.008 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.360 4.953 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.755 5.053 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.483 5.629 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.034 4.850 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.212 7.300 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.102 7.438 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.092 7.512 5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.391 6.395 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.450 5.859 5.488 1.00 0.00 H new ATOM 466 N TYR A 31 7.950 0.210 4.494 1.00 0.00 N ATOM 467 CA TYR A 31 7.836 -1.135 3.943 1.00 0.00 C ATOM 468 C TYR A 31 7.644 -2.164 5.053 1.00 0.00 C ATOM 469 O TYR A 31 8.587 -2.555 5.742 1.00 0.00 O ATOM 470 CB TYR A 31 9.081 -1.480 3.123 1.00 0.00 C ATOM 471 CG TYR A 31 9.177 -0.720 1.820 1.00 0.00 C ATOM 472 CD1 TYR A 31 9.346 0.659 1.808 1.00 0.00 C ATOM 473 CD2 TYR A 31 9.100 -1.381 0.600 1.00 0.00 C ATOM 474 CE1 TYR A 31 9.434 1.358 0.619 1.00 0.00 C ATOM 475 CE2 TYR A 31 9.188 -0.691 -0.594 1.00 0.00 C ATOM 476 CZ TYR A 31 9.354 0.679 -0.579 1.00 0.00 C ATOM 477 OH TYR A 31 9.442 1.371 -1.765 1.00 0.00 O ATOM 0 H TYR A 31 8.662 0.311 5.218 1.00 0.00 H new ATOM 0 HA TYR A 31 6.962 -1.161 3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.969 -1.273 3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.082 -2.549 2.911 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.410 1.194 2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.969 -2.453 0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.565 2.430 0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.127 -1.221 -1.533 1.00 0.00 H new ATOM 0 HH TYR A 31 9.368 0.745 -2.515 1.00 0.00 H new ATOM 487 N PRO A 32 6.393 -2.613 5.232 1.00 0.00 N ATOM 488 CA PRO A 32 6.046 -3.603 6.256 1.00 0.00 C ATOM 489 C PRO A 32 6.603 -4.987 5.937 1.00 0.00 C ATOM 490 O PRO A 32 6.980 -5.267 4.799 1.00 0.00 O ATOM 491 CB PRO A 32 4.516 -3.622 6.227 1.00 0.00 C ATOM 492 CG PRO A 32 4.158 -3.173 4.852 1.00 0.00 C ATOM 493 CD PRO A 32 5.221 -2.190 4.447 1.00 0.00 C ATOM 0 HA PRO A 32 6.464 -3.346 7.229 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.128 -4.620 6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.097 -2.957 6.982 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.124 -4.017 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.172 -2.709 4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.419 -2.230 3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.930 -1.165 4.679 1.00 0.00 H new ATOM 501 N ASP A 33 6.650 -5.848 6.948 1.00 0.00 N ATOM 502 CA ASP A 33 7.159 -7.203 6.774 1.00 0.00 C ATOM 503 C ASP A 33 6.048 -8.147 6.322 1.00 0.00 C ATOM 504 O ASP A 33 4.873 -7.922 6.609 1.00 0.00 O ATOM 505 CB ASP A 33 7.776 -7.710 8.079 1.00 0.00 C ATOM 506 CG ASP A 33 8.689 -6.686 8.723 1.00 0.00 C ATOM 507 OD1 ASP A 33 9.801 -6.468 8.198 1.00 0.00 O ATOM 508 OD2 ASP A 33 8.291 -6.101 9.752 1.00 0.00 O ATOM 0 H ASP A 33 6.342 -5.631 7.896 1.00 0.00 H new ATOM 0 HA ASP A 33 7.928 -7.180 6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.980 -7.972 8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.340 -8.622 7.881 1.00 0.00 H new ATOM 513 N VAL A 34 6.430 -9.204 5.612 1.00 0.00 N ATOM 514 CA VAL A 34 5.467 -10.182 5.120 1.00 0.00 C ATOM 515 C VAL A 34 4.497 -10.600 6.220 1.00 0.00 C ATOM 516 O VAL A 34 3.292 -10.696 5.995 1.00 0.00 O ATOM 517 CB VAL A 34 6.172 -11.435 4.568 1.00 0.00 C ATOM 518 CG1 VAL A 34 7.003 -12.102 5.654 1.00 0.00 C ATOM 519 CG2 VAL A 34 5.155 -12.408 3.992 1.00 0.00 C ATOM 0 H VAL A 34 7.399 -9.405 5.365 1.00 0.00 H new ATOM 0 HA VAL A 34 4.912 -9.702 4.314 1.00 0.00 H new ATOM 0 HB VAL A 34 6.843 -11.129 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.494 -12.985 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.757 -11.403 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.355 -12.396 6.479 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.671 -13.287 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.457 -12.710 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.607 -11.925 3.183 1.00 0.00 H new ATOM 529 N GLY A 35 5.033 -10.847 7.411 1.00 0.00 N ATOM 530 CA GLY A 35 4.202 -11.252 8.529 1.00 0.00 C ATOM 531 C GLY A 35 3.130 -10.230 8.855 1.00 0.00 C ATOM 532 O GLY A 35 1.995 -10.588 9.171 1.00 0.00 O ATOM 0 H GLY A 35 6.028 -10.774 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.731 -12.208 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.830 -11.408 9.406 1.00 0.00 H new ATOM 536 N THR A 36 3.491 -8.953 8.779 1.00 0.00 N ATOM 537 CA THR A 36 2.554 -7.876 9.071 1.00 0.00 C ATOM 538 C THR A 36 1.537 -7.712 7.948 1.00 0.00 C ATOM 539 O THR A 36 0.346 -7.525 8.198 1.00 0.00 O ATOM 540 CB THR A 36 3.285 -6.537 9.285 1.00 0.00 C ATOM 541 OG1 THR A 36 4.225 -6.659 10.358 1.00 0.00 O ATOM 542 CG2 THR A 36 2.296 -5.423 9.594 1.00 0.00 C ATOM 0 H THR A 36 4.426 -8.640 8.518 1.00 0.00 H new ATOM 0 HA THR A 36 2.036 -8.150 9.990 1.00 0.00 H new ATOM 0 HB THR A 36 3.814 -6.286 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.687 -5.804 10.487 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.836 -4.488 9.741 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.600 -5.313 8.762 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.743 -5.669 10.500 1.00 0.00 H new ATOM 550 N ARG A 37 2.014 -7.784 6.709 1.00 0.00 N ATOM 551 CA ARG A 37 1.145 -7.643 5.547 1.00 0.00 C ATOM 552 C ARG A 37 0.003 -8.654 5.596 1.00 0.00 C ATOM 553 O ARG A 37 -1.165 -8.292 5.457 1.00 0.00 O ATOM 554 CB ARG A 37 1.948 -7.828 4.258 1.00 0.00 C ATOM 555 CG ARG A 37 2.734 -6.592 3.848 1.00 0.00 C ATOM 556 CD ARG A 37 3.265 -6.716 2.429 1.00 0.00 C ATOM 557 NE ARG A 37 4.567 -7.376 2.387 1.00 0.00 N ATOM 558 CZ ARG A 37 5.723 -6.729 2.487 1.00 0.00 C ATOM 559 NH1 ARG A 37 5.738 -5.411 2.634 1.00 0.00 N ATOM 560 NH2 ARG A 37 6.867 -7.400 2.441 1.00 0.00 N ATOM 0 H ARG A 37 2.997 -7.939 6.485 1.00 0.00 H new ATOM 0 HA ARG A 37 0.720 -6.639 5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.639 -8.662 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.267 -8.100 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.096 -5.712 3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.565 -6.443 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.554 -7.278 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.347 -5.724 1.985 1.00 0.00 H new ATOM 0 HE ARG A 37 4.590 -8.390 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.861 -4.892 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.627 -4.916 2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.859 -8.414 2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.754 -6.902 2.518 1.00 0.00 H new ATOM 574 N GLU A 38 0.350 -9.922 5.793 1.00 0.00 N ATOM 575 CA GLU A 38 -0.646 -10.985 5.859 1.00 0.00 C ATOM 576 C GLU A 38 -1.737 -10.646 6.871 1.00 0.00 C ATOM 577 O GLU A 38 -2.925 -10.671 6.550 1.00 0.00 O ATOM 578 CB GLU A 38 0.016 -12.313 6.231 1.00 0.00 C ATOM 579 CG GLU A 38 0.573 -13.071 5.038 1.00 0.00 C ATOM 580 CD GLU A 38 0.615 -14.570 5.266 1.00 0.00 C ATOM 581 OE1 GLU A 38 0.919 -14.987 6.403 1.00 0.00 O ATOM 582 OE2 GLU A 38 0.343 -15.324 4.309 1.00 0.00 O ATOM 0 H GLU A 38 1.313 -10.238 5.910 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.104 -11.080 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.823 -12.121 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.713 -12.942 6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.037 -12.858 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.579 -12.712 4.822 1.00 0.00 H new ATOM 589 N GLN A 39 -1.323 -10.331 8.094 1.00 0.00 N ATOM 590 CA GLN A 39 -2.265 -9.989 9.154 1.00 0.00 C ATOM 591 C GLN A 39 -3.106 -8.778 8.765 1.00 0.00 C ATOM 592 O GLN A 39 -4.336 -8.834 8.775 1.00 0.00 O ATOM 593 CB GLN A 39 -1.517 -9.708 10.458 1.00 0.00 C ATOM 594 CG GLN A 39 -1.270 -10.951 11.298 1.00 0.00 C ATOM 595 CD GLN A 39 -2.524 -11.445 11.992 1.00 0.00 C ATOM 596 OE1 GLN A 39 -3.637 -11.249 11.502 1.00 0.00 O ATOM 597 NE2 GLN A 39 -2.351 -12.092 13.139 1.00 0.00 N ATOM 0 H GLN A 39 -0.343 -10.305 8.376 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.932 -10.839 9.302 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.560 -9.241 10.225 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.087 -8.989 11.047 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.876 -11.743 10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.507 -10.734 12.046 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.411 -12.232 13.509 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.158 -12.449 13.650 1.00 0.00 H new ATOM 606 N LEU A 40 -2.435 -7.683 8.423 1.00 0.00 N ATOM 607 CA LEU A 40 -3.120 -6.457 8.031 1.00 0.00 C ATOM 608 C LEU A 40 -4.180 -6.741 6.971 1.00 0.00 C ATOM 609 O LEU A 40 -5.298 -6.230 7.045 1.00 0.00 O ATOM 610 CB LEU A 40 -2.114 -5.434 7.500 1.00 0.00 C ATOM 611 CG LEU A 40 -2.645 -4.015 7.293 1.00 0.00 C ATOM 612 CD1 LEU A 40 -2.480 -3.193 8.562 1.00 0.00 C ATOM 613 CD2 LEU A 40 -1.935 -3.345 6.126 1.00 0.00 C ATOM 0 H LEU A 40 -1.417 -7.620 8.409 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.613 -6.048 8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.273 -5.388 8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.725 -5.797 6.549 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.708 -4.076 7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.863 -2.186 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.034 -3.663 9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.424 -3.140 8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.326 -2.336 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.865 -3.296 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.105 -3.922 5.217 1.00 0.00 H new ATOM 625 N ALA A 41 -3.823 -7.560 5.988 1.00 0.00 N ATOM 626 CA ALA A 41 -4.744 -7.916 4.917 1.00 0.00 C ATOM 627 C ALA A 41 -6.068 -8.424 5.477 1.00 0.00 C ATOM 628 O ALA A 41 -7.109 -7.789 5.309 1.00 0.00 O ATOM 629 CB ALA A 41 -4.118 -8.962 4.007 1.00 0.00 C ATOM 0 H ALA A 41 -2.901 -7.990 5.911 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.947 -7.018 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.818 -9.218 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.202 -8.563 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.884 -9.855 4.586 1.00 0.00 H new ATOM 635 N ARG A 42 -6.021 -9.574 6.143 1.00 0.00 N ATOM 636 CA ARG A 42 -7.218 -10.168 6.727 1.00 0.00 C ATOM 637 C ARG A 42 -7.932 -9.172 7.635 1.00 0.00 C ATOM 638 O ARG A 42 -9.160 -9.171 7.730 1.00 0.00 O ATOM 639 CB ARG A 42 -6.854 -11.426 7.518 1.00 0.00 C ATOM 640 CG ARG A 42 -6.746 -12.675 6.659 1.00 0.00 C ATOM 641 CD ARG A 42 -7.108 -13.925 7.446 1.00 0.00 C ATOM 642 NE ARG A 42 -6.402 -15.105 6.954 1.00 0.00 N ATOM 643 CZ ARG A 42 -6.771 -16.351 7.230 1.00 0.00 C ATOM 644 NH1 ARG A 42 -7.834 -16.578 7.989 1.00 0.00 N ATOM 645 NH2 ARG A 42 -6.077 -17.373 6.746 1.00 0.00 N ATOM 0 H ARG A 42 -5.167 -10.112 6.291 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.892 -10.440 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.904 -11.262 8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.606 -11.590 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.406 -12.583 5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.730 -12.767 6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.869 -13.772 8.499 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.183 -14.094 7.384 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.580 -14.965 6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.371 -15.795 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.115 -17.536 8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.259 -17.203 6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.362 -18.329 6.959 1.00 0.00 H new ATOM 659 N LYS A 43 -7.156 -8.325 8.302 1.00 0.00 N ATOM 660 CA LYS A 43 -7.712 -7.322 9.202 1.00 0.00 C ATOM 661 C LYS A 43 -8.556 -6.310 8.435 1.00 0.00 C ATOM 662 O LYS A 43 -9.592 -5.854 8.920 1.00 0.00 O ATOM 663 CB LYS A 43 -6.590 -6.602 9.953 1.00 0.00 C ATOM 664 CG LYS A 43 -7.055 -5.363 10.699 1.00 0.00 C ATOM 665 CD LYS A 43 -7.993 -5.718 11.841 1.00 0.00 C ATOM 666 CE LYS A 43 -8.071 -4.598 12.867 1.00 0.00 C ATOM 667 NZ LYS A 43 -6.934 -4.646 13.828 1.00 0.00 N ATOM 0 H LYS A 43 -6.138 -8.313 8.236 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.353 -7.832 9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.137 -7.294 10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.813 -6.318 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.190 -4.827 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.561 -4.689 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.988 -5.921 11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.649 -6.633 12.325 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.073 -3.636 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.011 -4.671 13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.023 -3.867 14.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.946 -5.554 14.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.037 -4.551 13.310 1.00 0.00 H new ATOM 681 N VAL A 44 -8.107 -5.963 7.233 1.00 0.00 N ATOM 682 CA VAL A 44 -8.822 -5.006 6.396 1.00 0.00 C ATOM 683 C VAL A 44 -9.650 -5.717 5.332 1.00 0.00 C ATOM 684 O VAL A 44 -10.245 -5.079 4.463 1.00 0.00 O ATOM 685 CB VAL A 44 -7.853 -4.027 5.708 1.00 0.00 C ATOM 686 CG1 VAL A 44 -7.084 -3.220 6.743 1.00 0.00 C ATOM 687 CG2 VAL A 44 -6.900 -4.779 4.791 1.00 0.00 C ATOM 0 H VAL A 44 -7.251 -6.330 6.817 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.486 -4.445 7.054 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.435 -3.333 5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.404 -2.534 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.784 -2.652 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.511 -3.895 7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.222 -4.072 4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.324 -5.497 5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.471 -5.308 4.028 1.00 0.00 H new ATOM 697 N HIS A 45 -9.684 -7.044 5.405 1.00 0.00 N ATOM 698 CA HIS A 45 -10.440 -7.844 4.448 1.00 0.00 C ATOM 699 C HIS A 45 -9.904 -7.647 3.033 1.00 0.00 C ATOM 700 O HIS A 45 -10.670 -7.430 2.093 1.00 0.00 O ATOM 701 CB HIS A 45 -11.922 -7.474 4.501 1.00 0.00 C ATOM 702 CG HIS A 45 -12.617 -7.960 5.736 1.00 0.00 C ATOM 703 ND1 HIS A 45 -13.128 -9.235 5.859 1.00 0.00 N ATOM 704 CD2 HIS A 45 -12.882 -7.335 6.906 1.00 0.00 C ATOM 705 CE1 HIS A 45 -13.680 -9.372 7.052 1.00 0.00 C ATOM 706 NE2 HIS A 45 -13.543 -8.233 7.707 1.00 0.00 N ATOM 0 H HIS A 45 -9.197 -7.588 6.117 1.00 0.00 H new ATOM 0 HA HIS A 45 -10.326 -8.894 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.020 -6.390 4.442 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.423 -7.888 3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.622 -6.319 7.162 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -14.161 -10.263 7.427 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -13.875 -8.050 8.654 1.00 0.00 H new ATOM 715 N LEU A 46 -8.586 -7.723 2.888 1.00 0.00 N ATOM 716 CA LEU A 46 -7.948 -7.553 1.588 1.00 0.00 C ATOM 717 C LEU A 46 -6.883 -8.620 1.360 1.00 0.00 C ATOM 718 O LEU A 46 -6.562 -9.394 2.262 1.00 0.00 O ATOM 719 CB LEU A 46 -7.322 -6.161 1.484 1.00 0.00 C ATOM 720 CG LEU A 46 -8.284 -4.980 1.619 1.00 0.00 C ATOM 721 CD1 LEU A 46 -7.513 -3.678 1.766 1.00 0.00 C ATOM 722 CD2 LEU A 46 -9.221 -4.916 0.422 1.00 0.00 C ATOM 0 H LEU A 46 -7.938 -7.901 3.655 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.713 -7.660 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.557 -6.070 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.816 -6.083 0.522 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.884 -5.126 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.214 -2.849 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.885 -3.726 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.887 -3.525 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.898 -4.070 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.638 -4.794 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.799 -5.838 0.363 1.00 0.00 H new ATOM 734 N ARG A 47 -6.337 -8.655 0.148 1.00 0.00 N ATOM 735 CA ARG A 47 -5.307 -9.627 -0.198 1.00 0.00 C ATOM 736 C ARG A 47 -3.915 -9.057 0.054 1.00 0.00 C ATOM 737 O ARG A 47 -3.605 -7.942 -0.365 1.00 0.00 O ATOM 738 CB ARG A 47 -5.441 -10.044 -1.664 1.00 0.00 C ATOM 739 CG ARG A 47 -6.534 -11.073 -1.907 1.00 0.00 C ATOM 740 CD ARG A 47 -6.226 -12.388 -1.208 1.00 0.00 C ATOM 741 NE ARG A 47 -7.028 -13.489 -1.736 1.00 0.00 N ATOM 742 CZ ARG A 47 -7.140 -14.669 -1.138 1.00 0.00 C ATOM 743 NH1 ARG A 47 -6.505 -14.901 0.003 1.00 0.00 N ATOM 744 NH2 ARG A 47 -7.888 -15.621 -1.680 1.00 0.00 N ATOM 0 H ARG A 47 -6.591 -8.022 -0.610 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.442 -10.503 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.646 -9.160 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.489 -10.450 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.487 -10.684 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.642 -11.245 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.168 -12.622 -1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.413 -12.283 -0.139 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.529 -13.343 -2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.929 -14.172 0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.593 -15.809 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.378 -15.447 -2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.973 -16.527 -1.219 1.00 0.00 H new ATOM 758 N GLU A 48 -3.080 -9.830 0.742 1.00 0.00 N ATOM 759 CA GLU A 48 -1.721 -9.400 1.051 1.00 0.00 C ATOM 760 C GLU A 48 -1.105 -8.653 -0.129 1.00 0.00 C ATOM 761 O GLU A 48 -0.554 -7.565 0.032 1.00 0.00 O ATOM 762 CB GLU A 48 -0.851 -10.605 1.415 1.00 0.00 C ATOM 763 CG GLU A 48 0.260 -10.279 2.399 1.00 0.00 C ATOM 764 CD GLU A 48 1.528 -9.810 1.712 1.00 0.00 C ATOM 765 OE1 GLU A 48 1.423 -9.145 0.660 1.00 0.00 O ATOM 766 OE2 GLU A 48 2.626 -10.109 2.227 1.00 0.00 O ATOM 0 H GLU A 48 -3.320 -10.756 1.096 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.767 -8.723 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.484 -11.384 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.411 -11.013 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.084 -9.506 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.481 -11.163 2.998 1.00 0.00 H new ATOM 773 N GLU A 49 -1.203 -9.247 -1.314 1.00 0.00 N ATOM 774 CA GLU A 49 -0.654 -8.639 -2.521 1.00 0.00 C ATOM 775 C GLU A 49 -1.093 -7.182 -2.643 1.00 0.00 C ATOM 776 O GLU A 49 -0.266 -6.283 -2.794 1.00 0.00 O ATOM 777 CB GLU A 49 -1.095 -9.422 -3.759 1.00 0.00 C ATOM 778 CG GLU A 49 -0.729 -8.745 -5.069 1.00 0.00 C ATOM 779 CD GLU A 49 -1.338 -9.437 -6.274 1.00 0.00 C ATOM 780 OE1 GLU A 49 -0.841 -10.518 -6.652 1.00 0.00 O ATOM 781 OE2 GLU A 49 -2.312 -8.896 -6.838 1.00 0.00 O ATOM 0 H GLU A 49 -1.657 -10.148 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 49 0.433 -8.668 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.641 -10.413 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.175 -9.565 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.063 -7.708 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.356 -8.728 -5.174 1.00 0.00 H new ATOM 788 N LYS A 50 -2.401 -6.958 -2.579 1.00 0.00 N ATOM 789 CA LYS A 50 -2.953 -5.612 -2.682 1.00 0.00 C ATOM 790 C LYS A 50 -2.296 -4.676 -1.672 1.00 0.00 C ATOM 791 O LYS A 50 -1.887 -3.566 -2.014 1.00 0.00 O ATOM 792 CB LYS A 50 -4.466 -5.640 -2.457 1.00 0.00 C ATOM 793 CG LYS A 50 -5.220 -6.453 -3.495 1.00 0.00 C ATOM 794 CD LYS A 50 -5.630 -5.599 -4.683 1.00 0.00 C ATOM 795 CE LYS A 50 -5.870 -6.447 -5.923 1.00 0.00 C ATOM 796 NZ LYS A 50 -4.595 -6.941 -6.512 1.00 0.00 N ATOM 0 H LYS A 50 -3.099 -7.692 -2.456 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.748 -5.238 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.670 -6.050 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.845 -4.618 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.594 -7.277 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.107 -6.894 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.536 -5.045 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.853 -4.863 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.504 -7.296 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.410 -5.860 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.767 -7.275 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.899 -6.169 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.227 -7.725 -5.936 1.00 0.00 H new ATOM 810 N VAL A 51 -2.197 -5.131 -0.427 1.00 0.00 N ATOM 811 CA VAL A 51 -1.587 -4.336 0.632 1.00 0.00 C ATOM 812 C VAL A 51 -0.249 -3.758 0.184 1.00 0.00 C ATOM 813 O VAL A 51 0.011 -2.568 0.353 1.00 0.00 O ATOM 814 CB VAL A 51 -1.372 -5.171 1.908 1.00 0.00 C ATOM 815 CG1 VAL A 51 -0.727 -4.326 2.997 1.00 0.00 C ATOM 816 CG2 VAL A 51 -2.691 -5.758 2.389 1.00 0.00 C ATOM 0 H VAL A 51 -2.532 -6.047 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.276 -3.521 0.853 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.698 -5.995 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.583 -4.933 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.238 -3.958 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.374 -3.481 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.520 -6.345 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.390 -4.951 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.109 -6.399 1.613 1.00 0.00 H new ATOM 826 N GLU A 52 0.596 -4.611 -0.388 1.00 0.00 N ATOM 827 CA GLU A 52 1.908 -4.184 -0.860 1.00 0.00 C ATOM 828 C GLU A 52 1.776 -3.134 -1.959 1.00 0.00 C ATOM 829 O GLU A 52 2.471 -2.118 -1.950 1.00 0.00 O ATOM 830 CB GLU A 52 2.703 -5.384 -1.378 1.00 0.00 C ATOM 831 CG GLU A 52 4.056 -5.012 -1.961 1.00 0.00 C ATOM 832 CD GLU A 52 4.554 -6.026 -2.972 1.00 0.00 C ATOM 833 OE1 GLU A 52 4.432 -7.240 -2.706 1.00 0.00 O ATOM 834 OE2 GLU A 52 5.066 -5.605 -4.031 1.00 0.00 O ATOM 0 H GLU A 52 0.395 -5.600 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 52 2.441 -3.739 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.851 -6.091 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.116 -5.896 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.986 -4.034 -2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.783 -4.922 -1.154 1.00 0.00 H new ATOM 841 N VAL A 53 0.878 -3.388 -2.907 1.00 0.00 N ATOM 842 CA VAL A 53 0.654 -2.466 -4.013 1.00 0.00 C ATOM 843 C VAL A 53 0.406 -1.049 -3.507 1.00 0.00 C ATOM 844 O VAL A 53 1.172 -0.132 -3.801 1.00 0.00 O ATOM 845 CB VAL A 53 -0.543 -2.907 -4.877 1.00 0.00 C ATOM 846 CG1 VAL A 53 -0.754 -1.939 -6.032 1.00 0.00 C ATOM 847 CG2 VAL A 53 -0.335 -4.324 -5.390 1.00 0.00 C ATOM 0 H VAL A 53 0.295 -4.224 -2.930 1.00 0.00 H new ATOM 0 HA VAL A 53 1.558 -2.478 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.440 -2.896 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.604 -2.267 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.950 -0.941 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.141 -1.914 -6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.190 -4.620 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.571 -4.363 -5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.237 -5.006 -4.545 1.00 0.00 H new ATOM 857 N TRP A 54 -0.668 -0.880 -2.744 1.00 0.00 N ATOM 858 CA TRP A 54 -1.016 0.426 -2.195 1.00 0.00 C ATOM 859 C TRP A 54 0.219 1.136 -1.653 1.00 0.00 C ATOM 860 O TRP A 54 0.536 2.253 -2.062 1.00 0.00 O ATOM 861 CB TRP A 54 -2.060 0.275 -1.088 1.00 0.00 C ATOM 862 CG TRP A 54 -2.588 1.585 -0.586 1.00 0.00 C ATOM 863 CD1 TRP A 54 -3.567 2.347 -1.157 1.00 0.00 C ATOM 864 CD2 TRP A 54 -2.163 2.287 0.587 1.00 0.00 C ATOM 865 NE1 TRP A 54 -3.777 3.480 -0.409 1.00 0.00 N ATOM 866 CE2 TRP A 54 -2.929 3.467 0.667 1.00 0.00 C ATOM 867 CE3 TRP A 54 -1.212 2.033 1.580 1.00 0.00 C ATOM 868 CZ2 TRP A 54 -2.770 4.388 1.698 1.00 0.00 C ATOM 869 CZ3 TRP A 54 -1.056 2.948 2.602 1.00 0.00 C ATOM 870 CH2 TRP A 54 -1.832 4.114 2.656 1.00 0.00 C ATOM 0 H TRP A 54 -1.312 -1.630 -2.492 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.435 1.030 -3.000 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.891 -0.324 -1.461 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.620 -0.274 -0.256 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.098 2.096 -2.063 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.455 4.212 -0.620 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.610 1.137 1.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.366 5.288 1.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.323 2.762 3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.687 4.810 3.469 1.00 0.00 H new ATOM 881 N PHE A 55 0.915 0.481 -0.729 1.00 0.00 N ATOM 882 CA PHE A 55 2.116 1.051 -0.129 1.00 0.00 C ATOM 883 C PHE A 55 3.033 1.636 -1.199 1.00 0.00 C ATOM 884 O PHE A 55 3.522 2.758 -1.069 1.00 0.00 O ATOM 885 CB PHE A 55 2.865 -0.014 0.674 1.00 0.00 C ATOM 886 CG PHE A 55 2.331 -0.202 2.065 1.00 0.00 C ATOM 887 CD1 PHE A 55 1.002 -0.534 2.272 1.00 0.00 C ATOM 888 CD2 PHE A 55 3.158 -0.046 3.166 1.00 0.00 C ATOM 889 CE1 PHE A 55 0.508 -0.708 3.551 1.00 0.00 C ATOM 890 CE2 PHE A 55 2.670 -0.219 4.447 1.00 0.00 C ATOM 891 CZ PHE A 55 1.343 -0.549 4.640 1.00 0.00 C ATOM 0 H PHE A 55 0.668 -0.445 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 55 1.811 1.854 0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.811 -0.964 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.918 0.260 0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.344 -0.658 1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.196 0.214 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.530 -0.968 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.326 -0.096 5.296 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.959 -0.683 5.640 1.00 0.00 H new ATOM 901 N LYS A 56 3.262 0.867 -2.258 1.00 0.00 N ATOM 902 CA LYS A 56 4.119 1.306 -3.353 1.00 0.00 C ATOM 903 C LYS A 56 3.517 2.514 -4.064 1.00 0.00 C ATOM 904 O LYS A 56 4.199 3.510 -4.300 1.00 0.00 O ATOM 905 CB LYS A 56 4.331 0.166 -4.351 1.00 0.00 C ATOM 906 CG LYS A 56 5.232 -0.940 -3.829 1.00 0.00 C ATOM 907 CD LYS A 56 4.870 -2.286 -4.434 1.00 0.00 C ATOM 908 CE LYS A 56 5.595 -2.518 -5.751 1.00 0.00 C ATOM 909 NZ LYS A 56 5.153 -1.563 -6.804 1.00 0.00 N ATOM 0 H LYS A 56 2.865 -0.065 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 56 5.082 1.596 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.363 -0.260 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.761 0.571 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.271 -0.704 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.151 -0.994 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.123 -3.081 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.793 -2.335 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.669 -2.417 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.416 -3.539 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.269 -2.001 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.152 -1.322 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.729 -0.698 -6.752 1.00 0.00 H new ATOM 923 N ASN A 57 2.235 2.418 -4.401 1.00 0.00 N ATOM 924 CA ASN A 57 1.541 3.503 -5.084 1.00 0.00 C ATOM 925 C ASN A 57 1.657 4.805 -4.296 1.00 0.00 C ATOM 926 O ASN A 57 2.028 5.843 -4.843 1.00 0.00 O ATOM 927 CB ASN A 57 0.068 3.146 -5.288 1.00 0.00 C ATOM 928 CG ASN A 57 -0.132 2.121 -6.387 1.00 0.00 C ATOM 929 OD1 ASN A 57 0.616 2.088 -7.364 1.00 0.00 O ATOM 930 ND2 ASN A 57 -1.147 1.278 -6.232 1.00 0.00 N ATOM 0 H ASN A 57 1.656 1.600 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 57 2.011 3.645 -6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.342 2.759 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.492 4.049 -5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.332 0.567 -6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.741 1.342 -5.406 1.00 0.00 H new ATOM 937 N ARG A 58 1.337 4.740 -3.008 1.00 0.00 N ATOM 938 CA ARG A 58 1.404 5.912 -2.144 1.00 0.00 C ATOM 939 C ARG A 58 2.800 6.527 -2.170 1.00 0.00 C ATOM 940 O ARG A 58 2.958 7.722 -2.421 1.00 0.00 O ATOM 941 CB ARG A 58 1.027 5.537 -0.709 1.00 0.00 C ATOM 942 CG ARG A 58 -0.469 5.379 -0.495 1.00 0.00 C ATOM 943 CD ARG A 58 -1.144 6.722 -0.260 1.00 0.00 C ATOM 944 NE ARG A 58 -2.576 6.671 -0.538 1.00 0.00 N ATOM 945 CZ ARG A 58 -3.086 6.621 -1.764 1.00 0.00 C ATOM 946 NH1 ARG A 58 -2.283 6.614 -2.819 1.00 0.00 N ATOM 947 NH2 ARG A 58 -4.401 6.576 -1.936 1.00 0.00 N ATOM 0 H ARG A 58 1.029 3.888 -2.540 1.00 0.00 H new ATOM 0 HA ARG A 58 0.694 6.649 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.524 4.604 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.404 6.303 -0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.913 4.895 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.648 4.726 0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.986 7.031 0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.679 7.477 -0.893 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.221 6.674 0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.272 6.647 -2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.677 6.576 -3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.022 6.580 -1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.791 6.538 -2.878 1.00 0.00 H new