USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=4 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 Set 1.1: A 15 THR OG1 : rot 180:sc= -0.504 USER MOD Set 1.2: A 18 GLN : amide:sc= -1.62! C(o=-2.1!,f=-9.2!) USER MOD Single : A 24 ASN : amide:sc= -1.58 K(o=-1.6,f=-3.2!) USER MOD Single : A 27 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.16) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=-0.017) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.00039) USER MOD ----------------------------------------------------------------- ATOM 189 N PHE A 14 -11.052 2.239 -2.042 1.00 0.00 N ATOM 190 CA PHE A 14 -10.961 1.422 -0.838 1.00 0.00 C ATOM 191 C PHE A 14 -11.831 1.996 0.276 1.00 0.00 C ATOM 192 O PHE A 14 -12.163 3.182 0.272 1.00 0.00 O ATOM 193 CB PHE A 14 -9.507 1.328 -0.368 1.00 0.00 C ATOM 194 CG PHE A 14 -8.603 0.640 -1.350 1.00 0.00 C ATOM 195 CD1 PHE A 14 -8.449 1.135 -2.635 1.00 0.00 C ATOM 196 CD2 PHE A 14 -7.907 -0.502 -0.988 1.00 0.00 C ATOM 197 CE1 PHE A 14 -7.618 0.503 -3.540 1.00 0.00 C ATOM 198 CE2 PHE A 14 -7.074 -1.138 -1.889 1.00 0.00 C ATOM 199 CZ PHE A 14 -6.929 -0.635 -3.167 1.00 0.00 C ATOM 0 HA PHE A 14 -11.323 0.423 -1.079 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.129 2.333 -0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.474 0.793 0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.984 2.025 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.017 -0.900 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.507 0.898 -4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.537 -2.027 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.279 -1.130 -3.873 1.00 0.00 H new ATOM 209 N THR A 15 -12.199 1.146 1.230 1.00 0.00 N ATOM 210 CA THR A 15 -13.032 1.566 2.350 1.00 0.00 C ATOM 211 C THR A 15 -12.214 2.324 3.389 1.00 0.00 C ATOM 212 O THR A 15 -11.012 2.098 3.533 1.00 0.00 O ATOM 213 CB THR A 15 -13.712 0.362 3.027 1.00 0.00 C ATOM 214 OG1 THR A 15 -12.723 -0.568 3.481 1.00 0.00 O ATOM 215 CG2 THR A 15 -14.665 -0.332 2.066 1.00 0.00 C ATOM 0 H THR A 15 -11.933 0.162 1.249 1.00 0.00 H new ATOM 0 HA THR A 15 -13.799 2.225 1.944 1.00 0.00 H new ATOM 0 HB THR A 15 -14.284 0.728 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.164 -1.330 3.912 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.133 -1.179 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.434 0.371 1.745 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.111 -0.685 1.196 1.00 0.00 H new ATOM 223 N ASP A 16 -12.872 3.224 4.111 1.00 0.00 N ATOM 224 CA ASP A 16 -12.206 4.015 5.140 1.00 0.00 C ATOM 225 C ASP A 16 -11.347 3.128 6.036 1.00 0.00 C ATOM 226 O ASP A 16 -10.162 3.394 6.234 1.00 0.00 O ATOM 227 CB ASP A 16 -13.237 4.766 5.983 1.00 0.00 C ATOM 228 CG ASP A 16 -14.353 3.865 6.473 1.00 0.00 C ATOM 229 OD1 ASP A 16 -15.172 3.426 5.638 1.00 0.00 O ATOM 230 OD2 ASP A 16 -14.407 3.596 7.691 1.00 0.00 O ATOM 0 H ASP A 16 -13.866 3.424 4.003 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.557 4.738 4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.739 5.221 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.662 5.578 5.393 1.00 0.00 H new ATOM 235 N GLU A 17 -11.953 2.075 6.574 1.00 0.00 N ATOM 236 CA GLU A 17 -11.243 1.150 7.450 1.00 0.00 C ATOM 237 C GLU A 17 -9.950 0.668 6.799 1.00 0.00 C ATOM 238 O GLU A 17 -8.888 0.684 7.420 1.00 0.00 O ATOM 239 CB GLU A 17 -12.132 -0.047 7.793 1.00 0.00 C ATOM 240 CG GLU A 17 -11.730 -0.756 9.075 1.00 0.00 C ATOM 241 CD GLU A 17 -12.806 -1.695 9.585 1.00 0.00 C ATOM 242 OE1 GLU A 17 -13.412 -2.408 8.757 1.00 0.00 O ATOM 243 OE2 GLU A 17 -13.043 -1.717 10.811 1.00 0.00 O ATOM 0 H GLU A 17 -12.934 1.841 6.419 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.991 1.681 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.164 0.292 7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.101 -0.760 6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.813 -1.320 8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.508 -0.014 9.842 1.00 0.00 H new ATOM 250 N GLN A 18 -10.050 0.240 5.545 1.00 0.00 N ATOM 251 CA GLN A 18 -8.889 -0.248 4.810 1.00 0.00 C ATOM 252 C GLN A 18 -7.791 0.810 4.761 1.00 0.00 C ATOM 253 O GLN A 18 -6.614 0.507 4.957 1.00 0.00 O ATOM 254 CB GLN A 18 -9.290 -0.649 3.389 1.00 0.00 C ATOM 255 CG GLN A 18 -10.018 -1.982 3.317 1.00 0.00 C ATOM 256 CD GLN A 18 -10.793 -2.154 2.025 1.00 0.00 C ATOM 257 OE1 GLN A 18 -10.814 -1.261 1.177 1.00 0.00 O ATOM 258 NE2 GLN A 18 -11.435 -3.305 1.868 1.00 0.00 N ATOM 0 H GLN A 18 -10.922 0.221 5.017 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.502 -1.123 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.928 0.128 2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.396 -0.699 2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.295 -2.792 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.703 -2.064 4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.390 -4.017 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.973 -3.477 1.019 1.00 0.00 H new ATOM 267 N LEU A 19 -8.185 2.052 4.499 1.00 0.00 N ATOM 268 CA LEU A 19 -7.234 3.155 4.424 1.00 0.00 C ATOM 269 C LEU A 19 -6.608 3.428 5.788 1.00 0.00 C ATOM 270 O LEU A 19 -5.389 3.548 5.909 1.00 0.00 O ATOM 271 CB LEU A 19 -7.927 4.417 3.907 1.00 0.00 C ATOM 272 CG LEU A 19 -8.461 4.351 2.476 1.00 0.00 C ATOM 273 CD1 LEU A 19 -9.325 5.564 2.172 1.00 0.00 C ATOM 274 CD2 LEU A 19 -7.312 4.250 1.482 1.00 0.00 C ATOM 0 H LEU A 19 -9.156 2.320 4.335 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.442 2.873 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.758 4.650 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.223 5.247 3.973 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.078 3.458 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.696 5.499 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.168 5.593 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.732 6.471 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.711 4.204 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.669 5.124 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.733 3.349 1.685 1.00 0.00 H new ATOM 286 N GLU A 20 -7.450 3.522 6.812 1.00 0.00 N ATOM 287 CA GLU A 20 -6.978 3.779 8.168 1.00 0.00 C ATOM 288 C GLU A 20 -5.860 2.813 8.547 1.00 0.00 C ATOM 289 O GLU A 20 -4.792 3.227 8.997 1.00 0.00 O ATOM 290 CB GLU A 20 -8.132 3.658 9.165 1.00 0.00 C ATOM 291 CG GLU A 20 -7.689 3.711 10.618 1.00 0.00 C ATOM 292 CD GLU A 20 -8.845 3.945 11.572 1.00 0.00 C ATOM 293 OE1 GLU A 20 -9.555 4.958 11.407 1.00 0.00 O ATOM 294 OE2 GLU A 20 -9.038 3.112 12.483 1.00 0.00 O ATOM 0 H GLU A 20 -8.462 3.424 6.729 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.584 4.795 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.845 4.462 8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.657 2.719 8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.193 2.776 10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.954 4.507 10.741 1.00 0.00 H new ATOM 301 N ALA A 21 -6.114 1.521 8.362 1.00 0.00 N ATOM 302 CA ALA A 21 -5.130 0.495 8.683 1.00 0.00 C ATOM 303 C ALA A 21 -3.872 0.657 7.835 1.00 0.00 C ATOM 304 O ALA A 21 -2.771 0.814 8.363 1.00 0.00 O ATOM 305 CB ALA A 21 -5.728 -0.890 8.485 1.00 0.00 C ATOM 0 H ALA A 21 -6.993 1.161 7.991 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.849 0.611 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.982 -1.647 8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.593 -1.010 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.038 -1.007 7.447 1.00 0.00 H new ATOM 311 N LEU A 22 -4.043 0.616 6.518 1.00 0.00 N ATOM 312 CA LEU A 22 -2.922 0.757 5.596 1.00 0.00 C ATOM 313 C LEU A 22 -2.051 1.951 5.976 1.00 0.00 C ATOM 314 O LEU A 22 -0.856 1.804 6.227 1.00 0.00 O ATOM 315 CB LEU A 22 -3.431 0.919 4.163 1.00 0.00 C ATOM 316 CG LEU A 22 -4.205 -0.268 3.588 1.00 0.00 C ATOM 317 CD1 LEU A 22 -5.120 0.186 2.461 1.00 0.00 C ATOM 318 CD2 LEU A 22 -3.246 -1.344 3.098 1.00 0.00 C ATOM 0 H LEU A 22 -4.948 0.486 6.065 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.316 -0.147 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.073 1.799 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.577 1.118 3.516 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.822 -0.692 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.662 -0.672 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.830 0.920 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.524 0.637 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.815 -2.181 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.603 -0.931 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.633 -1.691 3.930 1.00 0.00 H new ATOM 330 N GLU A 23 -2.661 3.132 6.018 1.00 0.00 N ATOM 331 CA GLU A 23 -1.941 4.350 6.369 1.00 0.00 C ATOM 332 C GLU A 23 -1.262 4.209 7.728 1.00 0.00 C ATOM 333 O GLU A 23 -0.151 4.697 7.933 1.00 0.00 O ATOM 334 CB GLU A 23 -2.896 5.546 6.386 1.00 0.00 C ATOM 335 CG GLU A 23 -3.065 6.209 5.030 1.00 0.00 C ATOM 336 CD GLU A 23 -4.339 7.026 4.935 1.00 0.00 C ATOM 337 OE1 GLU A 23 -5.408 6.432 4.680 1.00 0.00 O ATOM 338 OE2 GLU A 23 -4.267 8.259 5.115 1.00 0.00 O ATOM 0 H GLU A 23 -3.651 3.270 5.814 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.173 4.517 5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.871 5.216 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.528 6.284 7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.208 6.855 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.070 5.444 4.254 1.00 0.00 H new ATOM 345 N ASN A 24 -1.938 3.537 8.654 1.00 0.00 N ATOM 346 CA ASN A 24 -1.401 3.331 9.995 1.00 0.00 C ATOM 347 C ASN A 24 -0.116 2.511 9.946 1.00 0.00 C ATOM 348 O ASN A 24 0.762 2.660 10.797 1.00 0.00 O ATOM 349 CB ASN A 24 -2.435 2.630 10.878 1.00 0.00 C ATOM 350 CG ASN A 24 -3.510 3.577 11.374 1.00 0.00 C ATOM 351 OD1 ASN A 24 -3.439 4.785 11.152 1.00 0.00 O ATOM 352 ND2 ASN A 24 -4.515 3.030 12.049 1.00 0.00 N ATOM 0 H ASN A 24 -2.859 3.126 8.501 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.171 4.307 10.422 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.900 1.820 10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.932 2.177 11.732 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.269 3.617 12.406 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.533 2.023 12.210 1.00 0.00 H new ATOM 359 N LEU A 25 -0.012 1.644 8.944 1.00 0.00 N ATOM 360 CA LEU A 25 1.166 0.799 8.783 1.00 0.00 C ATOM 361 C LEU A 25 2.255 1.527 8.002 1.00 0.00 C ATOM 362 O LEU A 25 3.415 1.560 8.415 1.00 0.00 O ATOM 363 CB LEU A 25 0.792 -0.500 8.068 1.00 0.00 C ATOM 364 CG LEU A 25 1.947 -1.457 7.768 1.00 0.00 C ATOM 365 CD1 LEU A 25 2.521 -2.023 9.057 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.484 -2.580 6.850 1.00 0.00 C ATOM 0 H LEU A 25 -0.729 1.508 8.231 1.00 0.00 H new ATOM 0 HA LEU A 25 1.552 0.563 9.775 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.058 -1.028 8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.303 -0.246 7.127 1.00 0.00 H new ATOM 0 HG LEU A 25 2.733 -0.899 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.341 -2.701 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.890 -1.208 9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.743 -2.566 9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.318 -3.251 6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.680 -3.136 7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.122 -2.158 5.913 1.00 0.00 H new ATOM 378 N PHE A 26 1.875 2.113 6.871 1.00 0.00 N ATOM 379 CA PHE A 26 2.818 2.842 6.032 1.00 0.00 C ATOM 380 C PHE A 26 3.387 4.048 6.774 1.00 0.00 C ATOM 381 O PHE A 26 4.518 4.465 6.526 1.00 0.00 O ATOM 382 CB PHE A 26 2.138 3.299 4.740 1.00 0.00 C ATOM 383 CG PHE A 26 3.011 4.162 3.875 1.00 0.00 C ATOM 384 CD1 PHE A 26 4.127 3.632 3.247 1.00 0.00 C ATOM 385 CD2 PHE A 26 2.716 5.503 3.689 1.00 0.00 C ATOM 386 CE1 PHE A 26 4.932 4.424 2.452 1.00 0.00 C ATOM 387 CE2 PHE A 26 3.518 6.300 2.894 1.00 0.00 C ATOM 388 CZ PHE A 26 4.627 5.760 2.274 1.00 0.00 C ATOM 0 H PHE A 26 0.919 2.097 6.515 1.00 0.00 H new ATOM 0 HA PHE A 26 3.639 2.169 5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.831 2.422 4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.232 3.850 4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.370 2.588 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.849 5.931 4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.800 3.999 1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.277 7.344 2.758 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.255 6.380 1.651 1.00 0.00 H new ATOM 398 N GLN A 27 2.594 4.602 7.685 1.00 0.00 N ATOM 399 CA GLN A 27 3.017 5.760 8.463 1.00 0.00 C ATOM 400 C GLN A 27 4.086 5.372 9.480 1.00 0.00 C ATOM 401 O GLN A 27 5.158 5.975 9.528 1.00 0.00 O ATOM 402 CB GLN A 27 1.819 6.387 9.178 1.00 0.00 C ATOM 403 CG GLN A 27 0.980 7.286 8.285 1.00 0.00 C ATOM 404 CD GLN A 27 1.733 8.518 7.824 1.00 0.00 C ATOM 405 OE1 GLN A 27 1.783 9.529 8.526 1.00 0.00 O ATOM 406 NE2 GLN A 27 2.326 8.441 6.638 1.00 0.00 N ATOM 0 H GLN A 27 1.655 4.268 7.902 1.00 0.00 H new ATOM 0 HA GLN A 27 3.443 6.491 7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.187 5.593 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.177 6.966 10.029 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.649 6.720 7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.084 7.593 8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.259 7.584 6.089 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.848 9.239 6.276 1.00 0.00 H new ATOM 415 N GLU A 28 3.785 4.363 10.291 1.00 0.00 N ATOM 416 CA GLU A 28 4.720 3.896 11.308 1.00 0.00 C ATOM 417 C GLU A 28 6.002 3.373 10.668 1.00 0.00 C ATOM 418 O GLU A 28 7.106 3.752 11.060 1.00 0.00 O ATOM 419 CB GLU A 28 4.077 2.799 12.159 1.00 0.00 C ATOM 420 CG GLU A 28 3.510 1.650 11.343 1.00 0.00 C ATOM 421 CD GLU A 28 2.659 0.709 12.173 1.00 0.00 C ATOM 422 OE1 GLU A 28 2.003 1.186 13.123 1.00 0.00 O ATOM 423 OE2 GLU A 28 2.648 -0.503 11.874 1.00 0.00 O ATOM 0 H GLU A 28 2.902 3.854 10.264 1.00 0.00 H new ATOM 0 HA GLU A 28 4.972 4.741 11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.820 2.408 12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.279 3.237 12.758 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.910 2.051 10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.330 1.090 10.892 1.00 0.00 H new ATOM 430 N THR A 29 5.849 2.497 9.680 1.00 0.00 N ATOM 431 CA THR A 29 6.993 1.919 8.986 1.00 0.00 C ATOM 432 C THR A 29 6.878 2.112 7.479 1.00 0.00 C ATOM 433 O THR A 29 5.829 1.853 6.887 1.00 0.00 O ATOM 434 CB THR A 29 7.134 0.415 9.290 1.00 0.00 C ATOM 435 OG1 THR A 29 8.427 -0.048 8.885 1.00 0.00 O ATOM 436 CG2 THR A 29 6.056 -0.385 8.574 1.00 0.00 C ATOM 0 H THR A 29 4.943 2.172 9.342 1.00 0.00 H new ATOM 0 HA THR A 29 7.878 2.441 9.350 1.00 0.00 H new ATOM 0 HB THR A 29 7.018 0.272 10.364 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.509 -1.004 9.083 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.176 -1.444 8.804 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.073 -0.050 8.907 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.146 -0.235 7.498 1.00 0.00 H new ATOM 444 N LYS A 30 7.961 2.568 6.860 1.00 0.00 N ATOM 445 CA LYS A 30 7.983 2.795 5.420 1.00 0.00 C ATOM 446 C LYS A 30 7.800 1.485 4.660 1.00 0.00 C ATOM 447 O LYS A 30 7.016 1.410 3.714 1.00 0.00 O ATOM 448 CB LYS A 30 9.300 3.457 5.007 1.00 0.00 C ATOM 449 CG LYS A 30 9.287 4.970 5.138 1.00 0.00 C ATOM 450 CD LYS A 30 8.634 5.628 3.934 1.00 0.00 C ATOM 451 CE LYS A 30 8.177 7.043 4.253 1.00 0.00 C ATOM 452 NZ LYS A 30 7.898 7.828 3.018 1.00 0.00 N ATOM 0 H LYS A 30 8.837 2.788 7.334 1.00 0.00 H new ATOM 0 HA LYS A 30 7.156 3.459 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.107 3.055 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.522 3.192 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.751 5.253 6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.308 5.336 5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.339 5.651 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.780 5.033 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.279 7.004 4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.944 7.549 4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.589 8.786 3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.762 7.887 2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.148 7.359 2.471 1.00 0.00 H new ATOM 466 N TYR A 31 8.526 0.456 5.082 1.00 0.00 N ATOM 467 CA TYR A 31 8.443 -0.851 4.441 1.00 0.00 C ATOM 468 C TYR A 31 8.116 -1.939 5.459 1.00 0.00 C ATOM 469 O TYR A 31 8.974 -2.395 6.216 1.00 0.00 O ATOM 470 CB TYR A 31 9.759 -1.179 3.733 1.00 0.00 C ATOM 471 CG TYR A 31 10.169 -0.146 2.707 1.00 0.00 C ATOM 472 CD1 TYR A 31 10.649 1.097 3.098 1.00 0.00 C ATOM 473 CD2 TYR A 31 10.076 -0.415 1.347 1.00 0.00 C ATOM 474 CE1 TYR A 31 11.024 2.044 2.164 1.00 0.00 C ATOM 475 CE2 TYR A 31 10.450 0.525 0.406 1.00 0.00 C ATOM 476 CZ TYR A 31 10.922 1.753 0.820 1.00 0.00 C ATOM 477 OH TYR A 31 11.296 2.693 -0.113 1.00 0.00 O ATOM 0 H TYR A 31 9.178 0.501 5.865 1.00 0.00 H new ATOM 0 HA TYR A 31 7.640 -0.815 3.705 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.549 -1.272 4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.667 -2.148 3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.731 1.328 4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.705 -1.375 1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.395 3.006 2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.373 0.300 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 31 11.164 2.330 -1.014 1.00 0.00 H new ATOM 487 N PRO A 32 6.845 -2.365 5.480 1.00 0.00 N ATOM 488 CA PRO A 32 6.374 -3.405 6.400 1.00 0.00 C ATOM 489 C PRO A 32 6.933 -4.781 6.055 1.00 0.00 C ATOM 490 O PRO A 32 7.509 -4.977 4.985 1.00 0.00 O ATOM 491 CB PRO A 32 4.855 -3.382 6.213 1.00 0.00 C ATOM 492 CG PRO A 32 4.650 -2.843 4.839 1.00 0.00 C ATOM 493 CD PRO A 32 5.769 -1.866 4.607 1.00 0.00 C ATOM 0 HA PRO A 32 6.694 -3.218 7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.429 -4.380 6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.374 -2.752 6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.670 -3.643 4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.680 -2.353 4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.076 -1.848 3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.476 -0.850 4.871 1.00 0.00 H new ATOM 501 N ASP A 33 6.759 -5.731 6.967 1.00 0.00 N ATOM 502 CA ASP A 33 7.244 -7.090 6.758 1.00 0.00 C ATOM 503 C ASP A 33 6.108 -8.013 6.330 1.00 0.00 C ATOM 504 O ASP A 33 4.944 -7.774 6.653 1.00 0.00 O ATOM 505 CB ASP A 33 7.898 -7.622 8.034 1.00 0.00 C ATOM 506 CG ASP A 33 8.862 -6.627 8.650 1.00 0.00 C ATOM 507 OD1 ASP A 33 9.720 -6.097 7.912 1.00 0.00 O ATOM 508 OD2 ASP A 33 8.758 -6.377 9.868 1.00 0.00 O ATOM 0 H ASP A 33 6.285 -5.585 7.859 1.00 0.00 H new ATOM 0 HA ASP A 33 7.987 -7.066 5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.123 -7.869 8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.430 -8.546 7.808 1.00 0.00 H new ATOM 513 N VAL A 34 6.453 -9.070 5.601 1.00 0.00 N ATOM 514 CA VAL A 34 5.463 -10.029 5.128 1.00 0.00 C ATOM 515 C VAL A 34 4.505 -10.426 6.246 1.00 0.00 C ATOM 516 O VAL A 34 3.297 -10.522 6.038 1.00 0.00 O ATOM 517 CB VAL A 34 6.133 -11.297 4.567 1.00 0.00 C ATOM 518 CG1 VAL A 34 6.989 -11.966 5.632 1.00 0.00 C ATOM 519 CG2 VAL A 34 5.085 -12.261 4.031 1.00 0.00 C ATOM 0 H VAL A 34 7.412 -9.283 5.325 1.00 0.00 H new ATOM 0 HA VAL A 34 4.904 -9.540 4.331 1.00 0.00 H new ATOM 0 HB VAL A 34 6.783 -11.007 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.454 -12.860 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.764 -11.275 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.363 -12.243 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.576 -13.151 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.407 -12.546 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.520 -11.778 3.234 1.00 0.00 H new ATOM 529 N GLY A 35 5.055 -10.656 7.435 1.00 0.00 N ATOM 530 CA GLY A 35 4.236 -11.040 8.569 1.00 0.00 C ATOM 531 C GLY A 35 3.141 -10.033 8.861 1.00 0.00 C ATOM 532 O GLY A 35 1.992 -10.405 9.102 1.00 0.00 O ATOM 0 H GLY A 35 6.053 -10.583 7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.787 -12.014 8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.869 -11.150 9.450 1.00 0.00 H new ATOM 536 N THR A 36 3.496 -8.752 8.841 1.00 0.00 N ATOM 537 CA THR A 36 2.536 -7.688 9.108 1.00 0.00 C ATOM 538 C THR A 36 1.481 -7.612 8.010 1.00 0.00 C ATOM 539 O THR A 36 0.286 -7.511 8.291 1.00 0.00 O ATOM 540 CB THR A 36 3.234 -6.320 9.229 1.00 0.00 C ATOM 541 OG1 THR A 36 4.307 -6.400 10.173 1.00 0.00 O ATOM 542 CG2 THR A 36 2.247 -5.247 9.665 1.00 0.00 C ATOM 0 H THR A 36 4.442 -8.426 8.643 1.00 0.00 H new ATOM 0 HA THR A 36 2.054 -7.927 10.056 1.00 0.00 H new ATOM 0 HB THR A 36 3.631 -6.051 8.250 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.747 -5.527 10.243 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.762 -4.289 9.744 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.446 -5.169 8.930 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.825 -5.513 10.634 1.00 0.00 H new ATOM 550 N ARG A 37 1.929 -7.661 6.760 1.00 0.00 N ATOM 551 CA ARG A 37 1.022 -7.598 5.621 1.00 0.00 C ATOM 552 C ARG A 37 -0.052 -8.676 5.720 1.00 0.00 C ATOM 553 O ARG A 37 -1.243 -8.393 5.593 1.00 0.00 O ATOM 554 CB ARG A 37 1.800 -7.756 4.313 1.00 0.00 C ATOM 555 CG ARG A 37 2.626 -6.535 3.944 1.00 0.00 C ATOM 556 CD ARG A 37 2.850 -6.447 2.442 1.00 0.00 C ATOM 557 NE ARG A 37 4.128 -5.820 2.115 1.00 0.00 N ATOM 558 CZ ARG A 37 4.279 -4.515 1.923 1.00 0.00 C ATOM 559 NH1 ARG A 37 3.237 -3.701 2.025 1.00 0.00 N ATOM 560 NH2 ARG A 37 5.474 -4.020 1.628 1.00 0.00 N ATOM 0 H ARG A 37 2.915 -7.744 6.511 1.00 0.00 H new ATOM 0 HA ARG A 37 0.535 -6.623 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.460 -8.619 4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.098 -7.967 3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.120 -5.634 4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.588 -6.577 4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.816 -7.448 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.040 -5.877 1.987 1.00 0.00 H new ATOM 0 HE ARG A 37 4.950 -6.418 2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.316 -4.077 2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.356 -2.699 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.278 -4.642 1.548 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.588 -3.017 1.481 1.00 0.00 H new ATOM 574 N GLU A 38 0.378 -9.914 5.946 1.00 0.00 N ATOM 575 CA GLU A 38 -0.548 -11.035 6.060 1.00 0.00 C ATOM 576 C GLU A 38 -1.676 -10.711 7.036 1.00 0.00 C ATOM 577 O GLU A 38 -2.854 -10.838 6.702 1.00 0.00 O ATOM 578 CB GLU A 38 0.193 -12.292 6.519 1.00 0.00 C ATOM 579 CG GLU A 38 0.740 -13.128 5.374 1.00 0.00 C ATOM 580 CD GLU A 38 1.077 -14.545 5.795 1.00 0.00 C ATOM 581 OE1 GLU A 38 0.389 -15.078 6.690 1.00 0.00 O ATOM 582 OE2 GLU A 38 2.031 -15.120 5.229 1.00 0.00 O ATOM 0 H GLU A 38 1.361 -10.166 6.054 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.982 -11.217 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.017 -12.000 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.483 -12.905 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.007 -13.157 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.634 -12.649 4.975 1.00 0.00 H new ATOM 589 N GLN A 39 -1.306 -10.294 8.242 1.00 0.00 N ATOM 590 CA GLN A 39 -2.286 -9.954 9.267 1.00 0.00 C ATOM 591 C GLN A 39 -3.143 -8.771 8.828 1.00 0.00 C ATOM 592 O GLN A 39 -4.373 -8.837 8.860 1.00 0.00 O ATOM 593 CB GLN A 39 -1.584 -9.629 10.586 1.00 0.00 C ATOM 594 CG GLN A 39 -1.344 -10.847 11.464 1.00 0.00 C ATOM 595 CD GLN A 39 -2.573 -11.246 12.256 1.00 0.00 C ATOM 596 OE1 GLN A 39 -3.103 -10.460 13.041 1.00 0.00 O ATOM 597 NE2 GLN A 39 -3.034 -12.475 12.053 1.00 0.00 N ATOM 0 H GLN A 39 -0.335 -10.183 8.534 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.936 -10.816 9.413 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.628 -9.152 10.371 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.184 -8.906 11.139 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.031 -11.684 10.840 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.525 -10.639 12.152 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.563 -13.094 11.393 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.859 -12.800 12.557 1.00 0.00 H new ATOM 606 N LEU A 40 -2.487 -7.691 8.420 1.00 0.00 N ATOM 607 CA LEU A 40 -3.190 -6.492 7.975 1.00 0.00 C ATOM 608 C LEU A 40 -4.262 -6.839 6.947 1.00 0.00 C ATOM 609 O LEU A 40 -5.394 -6.366 7.033 1.00 0.00 O ATOM 610 CB LEU A 40 -2.200 -5.489 7.379 1.00 0.00 C ATOM 611 CG LEU A 40 -2.744 -4.083 7.120 1.00 0.00 C ATOM 612 CD1 LEU A 40 -2.576 -3.210 8.354 1.00 0.00 C ATOM 613 CD2 LEU A 40 -2.048 -3.455 5.921 1.00 0.00 C ATOM 0 H LEU A 40 -1.470 -7.620 8.388 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.676 -6.043 8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.346 -5.408 8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.827 -5.892 6.437 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.808 -4.161 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.969 -2.214 8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.120 -3.651 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.518 -3.138 8.608 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.447 -2.455 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.977 -3.390 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.220 -4.069 5.037 1.00 0.00 H new ATOM 625 N ALA A 41 -3.896 -7.670 5.976 1.00 0.00 N ATOM 626 CA ALA A 41 -4.827 -8.083 4.934 1.00 0.00 C ATOM 627 C ALA A 41 -6.146 -8.559 5.533 1.00 0.00 C ATOM 628 O ALA A 41 -7.184 -7.919 5.361 1.00 0.00 O ATOM 629 CB ALA A 41 -4.209 -9.179 4.078 1.00 0.00 C ATOM 0 H ALA A 41 -2.962 -8.070 5.890 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.035 -7.218 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.916 -9.478 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.297 -8.806 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.971 -10.039 4.704 1.00 0.00 H new ATOM 635 N ARG A 42 -6.099 -9.685 6.237 1.00 0.00 N ATOM 636 CA ARG A 42 -7.291 -10.248 6.860 1.00 0.00 C ATOM 637 C ARG A 42 -7.973 -9.218 7.757 1.00 0.00 C ATOM 638 O ARG A 42 -9.195 -9.221 7.907 1.00 0.00 O ATOM 639 CB ARG A 42 -6.928 -11.490 7.676 1.00 0.00 C ATOM 640 CG ARG A 42 -6.845 -12.761 6.847 1.00 0.00 C ATOM 641 CD ARG A 42 -7.169 -13.991 7.679 1.00 0.00 C ATOM 642 NE ARG A 42 -8.548 -13.980 8.159 1.00 0.00 N ATOM 643 CZ ARG A 42 -8.974 -14.704 9.189 1.00 0.00 C ATOM 644 NH1 ARG A 42 -8.132 -15.491 9.843 1.00 0.00 N ATOM 645 NH2 ARG A 42 -10.245 -14.640 9.565 1.00 0.00 N ATOM 0 H ARG A 42 -5.248 -10.226 6.390 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.985 -10.532 6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.969 -11.324 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.670 -11.627 8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.538 -12.695 6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.844 -12.858 6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.000 -14.887 7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.490 -14.042 8.530 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.221 -13.384 7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.154 -15.542 9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.461 -16.046 10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.895 -14.035 9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.572 -15.196 10.355 1.00 0.00 H new ATOM 659 N LYS A 43 -7.174 -8.338 8.352 1.00 0.00 N ATOM 660 CA LYS A 43 -7.699 -7.302 9.233 1.00 0.00 C ATOM 661 C LYS A 43 -8.562 -6.313 8.456 1.00 0.00 C ATOM 662 O LYS A 43 -9.629 -5.909 8.918 1.00 0.00 O ATOM 663 CB LYS A 43 -6.551 -6.561 9.923 1.00 0.00 C ATOM 664 CG LYS A 43 -6.962 -5.229 10.526 1.00 0.00 C ATOM 665 CD LYS A 43 -7.516 -5.401 11.931 1.00 0.00 C ATOM 666 CE LYS A 43 -8.919 -5.988 11.909 1.00 0.00 C ATOM 667 NZ LYS A 43 -9.646 -5.735 13.183 1.00 0.00 N ATOM 0 H LYS A 43 -6.160 -8.322 8.240 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.320 -7.783 9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.141 -7.195 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.752 -6.392 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.102 -4.559 10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.714 -4.758 9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.857 -6.052 12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.532 -4.436 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.480 -5.558 11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.861 -7.062 11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.598 -6.151 13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.124 -6.167 13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.724 -4.710 13.340 1.00 0.00 H new ATOM 681 N VAL A 44 -8.094 -5.927 7.273 1.00 0.00 N ATOM 682 CA VAL A 44 -8.825 -4.988 6.431 1.00 0.00 C ATOM 683 C VAL A 44 -9.647 -5.720 5.376 1.00 0.00 C ATOM 684 O VAL A 44 -10.193 -5.103 4.461 1.00 0.00 O ATOM 685 CB VAL A 44 -7.870 -4.003 5.730 1.00 0.00 C ATOM 686 CG1 VAL A 44 -7.104 -3.181 6.755 1.00 0.00 C ATOM 687 CG2 VAL A 44 -6.915 -4.750 4.812 1.00 0.00 C ATOM 0 H VAL A 44 -7.212 -6.250 6.876 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.495 -4.430 7.086 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.463 -3.320 5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.435 -2.491 6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.807 -2.616 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.521 -3.846 7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.248 -4.039 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.327 -5.458 5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.485 -5.290 4.056 1.00 0.00 H new ATOM 697 N HIS A 45 -9.731 -7.039 5.510 1.00 0.00 N ATOM 698 CA HIS A 45 -10.488 -7.857 4.569 1.00 0.00 C ATOM 699 C HIS A 45 -9.947 -7.695 3.152 1.00 0.00 C ATOM 700 O HIS A 45 -10.707 -7.482 2.206 1.00 0.00 O ATOM 701 CB HIS A 45 -11.969 -7.478 4.608 1.00 0.00 C ATOM 702 CG HIS A 45 -12.654 -7.870 5.880 1.00 0.00 C ATOM 703 ND1 HIS A 45 -13.540 -8.924 5.964 1.00 0.00 N ATOM 704 CD2 HIS A 45 -12.579 -7.345 7.125 1.00 0.00 C ATOM 705 CE1 HIS A 45 -13.980 -9.029 7.205 1.00 0.00 C ATOM 706 NE2 HIS A 45 -13.412 -8.082 7.930 1.00 0.00 N ATOM 0 H HIS A 45 -9.284 -7.565 6.261 1.00 0.00 H new ATOM 0 HA HIS A 45 -10.380 -8.901 4.864 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.064 -6.401 4.471 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.479 -7.952 3.769 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -11.976 -6.502 7.429 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -14.684 -9.764 7.566 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -13.567 -7.924 8.926 1.00 0.00 H new ATOM 715 N LEU A 46 -8.630 -7.796 3.012 1.00 0.00 N ATOM 716 CA LEU A 46 -7.986 -7.661 1.709 1.00 0.00 C ATOM 717 C LEU A 46 -6.934 -8.746 1.506 1.00 0.00 C ATOM 718 O LEU A 46 -6.647 -9.525 2.416 1.00 0.00 O ATOM 719 CB LEU A 46 -7.342 -6.279 1.578 1.00 0.00 C ATOM 720 CG LEU A 46 -8.298 -5.087 1.616 1.00 0.00 C ATOM 721 CD1 LEU A 46 -7.522 -3.779 1.607 1.00 0.00 C ATOM 722 CD2 LEU A 46 -9.266 -5.142 0.443 1.00 0.00 C ATOM 0 H LEU A 46 -7.987 -7.971 3.784 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.750 -7.774 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.615 -6.162 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.789 -6.246 0.640 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.874 -5.138 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.220 -2.942 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.870 -3.737 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.919 -3.720 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.939 -4.286 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.706 -5.117 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.847 -6.063 0.494 1.00 0.00 H new ATOM 734 N ARG A 47 -6.360 -8.790 0.308 1.00 0.00 N ATOM 735 CA ARG A 47 -5.339 -9.780 -0.014 1.00 0.00 C ATOM 736 C ARG A 47 -3.941 -9.203 0.189 1.00 0.00 C ATOM 737 O ARG A 47 -3.712 -8.014 -0.029 1.00 0.00 O ATOM 738 CB ARG A 47 -5.500 -10.259 -1.457 1.00 0.00 C ATOM 739 CG ARG A 47 -6.875 -10.832 -1.759 1.00 0.00 C ATOM 740 CD ARG A 47 -7.885 -9.733 -2.049 1.00 0.00 C ATOM 741 NE ARG A 47 -9.168 -10.271 -2.493 1.00 0.00 N ATOM 742 CZ ARG A 47 -10.060 -9.570 -3.184 1.00 0.00 C ATOM 743 NH1 ARG A 47 -9.809 -8.309 -3.509 1.00 0.00 N ATOM 744 NH2 ARG A 47 -11.205 -10.130 -3.553 1.00 0.00 N ATOM 0 H ARG A 47 -6.585 -8.152 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.465 -10.628 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.307 -9.425 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.746 -11.018 -1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.810 -11.504 -2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.216 -11.427 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.035 -9.133 -1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.487 -9.068 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.392 -11.238 -2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.929 -7.875 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.495 -7.773 -4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.401 -11.100 -3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.889 -9.590 -4.084 1.00 0.00 H new ATOM 758 N GLU A 48 -3.010 -10.055 0.608 1.00 0.00 N ATOM 759 CA GLU A 48 -1.635 -9.629 0.841 1.00 0.00 C ATOM 760 C GLU A 48 -1.091 -8.864 -0.362 1.00 0.00 C ATOM 761 O GLU A 48 -0.444 -7.828 -0.211 1.00 0.00 O ATOM 762 CB GLU A 48 -0.745 -10.838 1.134 1.00 0.00 C ATOM 763 CG GLU A 48 -1.009 -11.473 2.489 1.00 0.00 C ATOM 764 CD GLU A 48 -2.101 -12.524 2.439 1.00 0.00 C ATOM 765 OE1 GLU A 48 -3.290 -12.145 2.476 1.00 0.00 O ATOM 766 OE2 GLU A 48 -1.767 -13.725 2.362 1.00 0.00 O ATOM 0 H GLU A 48 -3.183 -11.043 0.793 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.630 -8.965 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.895 -11.586 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.300 -10.531 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.090 -11.927 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.289 -10.697 3.201 1.00 0.00 H new ATOM 773 N GLU A 49 -1.358 -9.383 -1.557 1.00 0.00 N ATOM 774 CA GLU A 49 -0.895 -8.749 -2.785 1.00 0.00 C ATOM 775 C GLU A 49 -1.446 -7.332 -2.908 1.00 0.00 C ATOM 776 O GLU A 49 -0.711 -6.392 -3.214 1.00 0.00 O ATOM 777 CB GLU A 49 -1.312 -9.578 -4.002 1.00 0.00 C ATOM 778 CG GLU A 49 -2.817 -9.741 -4.139 1.00 0.00 C ATOM 779 CD GLU A 49 -3.207 -10.550 -5.361 1.00 0.00 C ATOM 780 OE1 GLU A 49 -3.072 -10.028 -6.487 1.00 0.00 O ATOM 781 OE2 GLU A 49 -3.646 -11.707 -5.190 1.00 0.00 O ATOM 0 H GLU A 49 -1.892 -10.240 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 49 0.193 -8.694 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.922 -9.106 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.853 -10.564 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.209 -10.227 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.282 -8.757 -4.196 1.00 0.00 H new ATOM 788 N LYS A 50 -2.744 -7.185 -2.669 1.00 0.00 N ATOM 789 CA LYS A 50 -3.396 -5.884 -2.751 1.00 0.00 C ATOM 790 C LYS A 50 -2.782 -4.904 -1.757 1.00 0.00 C ATOM 791 O LYS A 50 -2.456 -3.770 -2.108 1.00 0.00 O ATOM 792 CB LYS A 50 -4.897 -6.024 -2.485 1.00 0.00 C ATOM 793 CG LYS A 50 -5.649 -6.732 -3.599 1.00 0.00 C ATOM 794 CD LYS A 50 -5.993 -5.779 -4.732 1.00 0.00 C ATOM 795 CE LYS A 50 -6.081 -6.507 -6.064 1.00 0.00 C ATOM 796 NZ LYS A 50 -6.237 -5.561 -7.204 1.00 0.00 N ATOM 0 H LYS A 50 -3.366 -7.953 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.247 -5.494 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.043 -6.572 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.326 -5.032 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.044 -7.553 -3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.564 -7.170 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.943 -5.288 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.237 -4.996 -4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.183 -7.107 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.925 -7.196 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.293 -6.096 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.108 -5.006 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.419 -4.919 -7.237 1.00 0.00 H new ATOM 810 N VAL A 51 -2.626 -5.349 -0.514 1.00 0.00 N ATOM 811 CA VAL A 51 -2.049 -4.511 0.531 1.00 0.00 C ATOM 812 C VAL A 51 -0.727 -3.901 0.078 1.00 0.00 C ATOM 813 O VAL A 51 -0.498 -2.703 0.242 1.00 0.00 O ATOM 814 CB VAL A 51 -1.815 -5.312 1.826 1.00 0.00 C ATOM 815 CG1 VAL A 51 -1.132 -4.445 2.874 1.00 0.00 C ATOM 816 CG2 VAL A 51 -3.129 -5.866 2.355 1.00 0.00 C ATOM 0 H VAL A 51 -2.891 -6.285 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.765 -3.713 0.730 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.158 -6.152 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.975 -5.027 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.171 -4.102 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.761 -3.584 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.944 -6.429 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.812 -5.043 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.574 -6.524 1.608 1.00 0.00 H new ATOM 826 N GLU A 52 0.138 -4.733 -0.493 1.00 0.00 N ATOM 827 CA GLU A 52 1.437 -4.273 -0.969 1.00 0.00 C ATOM 828 C GLU A 52 1.276 -3.172 -2.013 1.00 0.00 C ATOM 829 O GLU A 52 1.977 -2.161 -1.979 1.00 0.00 O ATOM 830 CB GLU A 52 2.230 -5.440 -1.562 1.00 0.00 C ATOM 831 CG GLU A 52 3.566 -5.029 -2.156 1.00 0.00 C ATOM 832 CD GLU A 52 4.614 -4.747 -1.097 1.00 0.00 C ATOM 833 OE1 GLU A 52 5.021 -5.699 -0.398 1.00 0.00 O ATOM 834 OE2 GLU A 52 5.025 -3.576 -0.966 1.00 0.00 O ATOM 0 H GLU A 52 -0.037 -5.728 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 52 1.983 -3.866 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.401 -6.184 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.630 -5.920 -2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.925 -5.819 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.428 -4.140 -2.771 1.00 0.00 H new ATOM 841 N VAL A 53 0.347 -3.376 -2.941 1.00 0.00 N ATOM 842 CA VAL A 53 0.092 -2.401 -3.995 1.00 0.00 C ATOM 843 C VAL A 53 -0.124 -1.008 -3.415 1.00 0.00 C ATOM 844 O VAL A 53 0.576 -0.060 -3.774 1.00 0.00 O ATOM 845 CB VAL A 53 -1.139 -2.791 -4.835 1.00 0.00 C ATOM 846 CG1 VAL A 53 -1.473 -1.695 -5.835 1.00 0.00 C ATOM 847 CG2 VAL A 53 -0.902 -4.117 -5.543 1.00 0.00 C ATOM 0 H VAL A 53 -0.242 -4.208 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 53 0.973 -2.392 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.991 -2.910 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.345 -1.989 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.688 -0.769 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.625 -1.540 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.782 -4.377 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.038 -4.029 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.717 -4.896 -4.804 1.00 0.00 H new ATOM 857 N TRP A 54 -1.095 -0.891 -2.517 1.00 0.00 N ATOM 858 CA TRP A 54 -1.402 0.387 -1.885 1.00 0.00 C ATOM 859 C TRP A 54 -0.125 1.129 -1.508 1.00 0.00 C ATOM 860 O TRP A 54 0.012 2.324 -1.770 1.00 0.00 O ATOM 861 CB TRP A 54 -2.267 0.171 -0.643 1.00 0.00 C ATOM 862 CG TRP A 54 -2.796 1.445 -0.058 1.00 0.00 C ATOM 863 CD1 TRP A 54 -3.968 2.070 -0.377 1.00 0.00 C ATOM 864 CD2 TRP A 54 -2.170 2.252 0.946 1.00 0.00 C ATOM 865 NE1 TRP A 54 -4.109 3.215 0.368 1.00 0.00 N ATOM 866 CE2 TRP A 54 -3.020 3.349 1.188 1.00 0.00 C ATOM 867 CE3 TRP A 54 -0.977 2.153 1.666 1.00 0.00 C ATOM 868 CZ2 TRP A 54 -2.711 4.339 2.118 1.00 0.00 C ATOM 869 CZ3 TRP A 54 -0.672 3.136 2.588 1.00 0.00 C ATOM 870 CH2 TRP A 54 -1.536 4.216 2.808 1.00 0.00 C ATOM 0 H TRP A 54 -1.683 -1.665 -2.210 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.954 0.995 -2.602 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.105 -0.477 -0.901 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.681 -0.351 0.113 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.680 1.716 -1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.897 3.861 0.319 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.305 1.323 1.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.375 5.174 2.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.249 3.070 3.149 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.269 4.967 3.537 1.00 0.00 H new ATOM 881 N PHE A 55 0.809 0.413 -0.890 1.00 0.00 N ATOM 882 CA PHE A 55 2.076 1.004 -0.475 1.00 0.00 C ATOM 883 C PHE A 55 2.800 1.629 -1.665 1.00 0.00 C ATOM 884 O PHE A 55 3.327 2.738 -1.574 1.00 0.00 O ATOM 885 CB PHE A 55 2.967 -0.053 0.180 1.00 0.00 C ATOM 886 CG PHE A 55 2.696 -0.240 1.646 1.00 0.00 C ATOM 887 CD1 PHE A 55 1.572 -0.928 2.074 1.00 0.00 C ATOM 888 CD2 PHE A 55 3.565 0.273 2.595 1.00 0.00 C ATOM 889 CE1 PHE A 55 1.320 -1.102 3.422 1.00 0.00 C ATOM 890 CE2 PHE A 55 3.318 0.101 3.944 1.00 0.00 C ATOM 891 CZ PHE A 55 2.194 -0.586 4.358 1.00 0.00 C ATOM 0 H PHE A 55 0.712 -0.577 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 55 1.861 1.788 0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.825 -1.005 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.011 0.229 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.885 -1.333 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.445 0.813 2.277 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.441 -1.641 3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.004 0.504 4.674 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.999 -0.719 5.412 1.00 0.00 H new ATOM 901 N LYS A 56 2.822 0.908 -2.781 1.00 0.00 N ATOM 902 CA LYS A 56 3.480 1.389 -3.990 1.00 0.00 C ATOM 903 C LYS A 56 2.899 2.729 -4.429 1.00 0.00 C ATOM 904 O LYS A 56 3.632 3.692 -4.649 1.00 0.00 O ATOM 905 CB LYS A 56 3.334 0.364 -5.117 1.00 0.00 C ATOM 906 CG LYS A 56 4.447 -0.670 -5.146 1.00 0.00 C ATOM 907 CD LYS A 56 4.083 -1.903 -4.336 1.00 0.00 C ATOM 908 CE LYS A 56 3.323 -2.918 -5.175 1.00 0.00 C ATOM 909 NZ LYS A 56 4.242 -3.791 -5.957 1.00 0.00 N ATOM 0 H LYS A 56 2.391 -0.012 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 56 4.538 1.527 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.377 -0.147 -5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.311 0.888 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.651 -0.958 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.363 -0.231 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.990 -2.361 -3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.476 -1.610 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.702 -3.534 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.651 -2.396 -5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.685 -4.469 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.817 -3.206 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.866 -4.309 -5.306 1.00 0.00 H new ATOM 923 N ASN A 57 1.577 2.783 -4.554 1.00 0.00 N ATOM 924 CA ASN A 57 0.897 4.006 -4.966 1.00 0.00 C ATOM 925 C ASN A 57 1.314 5.182 -4.088 1.00 0.00 C ATOM 926 O ASN A 57 1.918 6.143 -4.565 1.00 0.00 O ATOM 927 CB ASN A 57 -0.620 3.818 -4.901 1.00 0.00 C ATOM 928 CG ASN A 57 -1.144 2.950 -6.028 1.00 0.00 C ATOM 929 OD1 ASN A 57 -1.140 3.353 -7.191 1.00 0.00 O ATOM 930 ND2 ASN A 57 -1.598 1.749 -5.687 1.00 0.00 N ATOM 0 H ASN A 57 0.955 1.994 -4.376 1.00 0.00 H new ATOM 0 HA ASN A 57 1.185 4.224 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.887 3.367 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.106 4.793 -4.941 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.962 1.120 -6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.582 1.456 -4.710 1.00 0.00 H new ATOM 937 N ARG A 58 0.987 5.098 -2.802 1.00 0.00 N ATOM 938 CA ARG A 58 1.327 6.155 -1.857 1.00 0.00 C ATOM 939 C ARG A 58 2.795 6.550 -1.987 1.00 0.00 C ATOM 940 O ARG A 58 3.117 7.716 -2.216 1.00 0.00 O ATOM 941 CB ARG A 58 1.034 5.702 -0.426 1.00 0.00 C ATOM 942 CG ARG A 58 -0.415 5.305 -0.197 1.00 0.00 C ATOM 943 CD ARG A 58 -1.341 6.509 -0.268 1.00 0.00 C ATOM 944 NE ARG A 58 -2.701 6.133 -0.645 1.00 0.00 N ATOM 945 CZ ARG A 58 -3.560 6.964 -1.223 1.00 0.00 C ATOM 946 NH1 ARG A 58 -3.202 8.213 -1.491 1.00 0.00 N ATOM 947 NH2 ARG A 58 -4.781 6.548 -1.536 1.00 0.00 N ATOM 0 H ARG A 58 0.487 4.309 -2.391 1.00 0.00 H new ATOM 0 HA ARG A 58 0.713 7.026 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.676 4.856 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.294 6.507 0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.714 4.570 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.513 4.827 0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.359 7.010 0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.950 7.225 -0.991 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.008 5.179 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.265 8.537 -1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.864 8.849 -1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.061 5.588 -1.332 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.440 7.188 -1.980 1.00 0.00 H new