USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=5 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= -0.252 USER MOD Set 1.2: A 18 GLN : amide:sc= -5.01! C(o=-5.3!,f=-14!) USER MOD Single : A 24 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.2!) USER MOD Single : A 27 GLN : amide:sc=-0.00692 X(o=-0.0069,f=-0.055) 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=-0.023) 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+ 164:sc= -0.0151 (180deg=-0.141) USER MOD Single : A 57 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 189 N PHE A 14 -10.855 1.753 -1.712 1.00 0.00 N ATOM 190 CA PHE A 14 -10.719 1.063 -0.434 1.00 0.00 C ATOM 191 C PHE A 14 -11.616 1.698 0.625 1.00 0.00 C ATOM 192 O PHE A 14 -11.913 2.892 0.570 1.00 0.00 O ATOM 193 CB PHE A 14 -9.262 1.091 0.032 1.00 0.00 C ATOM 194 CG PHE A 14 -8.313 0.433 -0.928 1.00 0.00 C ATOM 195 CD1 PHE A 14 -7.914 1.084 -2.084 1.00 0.00 C ATOM 196 CD2 PHE A 14 -7.818 -0.836 -0.674 1.00 0.00 C ATOM 197 CE1 PHE A 14 -7.041 0.481 -2.970 1.00 0.00 C ATOM 198 CE2 PHE A 14 -6.945 -1.445 -1.556 1.00 0.00 C ATOM 199 CZ PHE A 14 -6.555 -0.785 -2.705 1.00 0.00 C ATOM 0 HA PHE A 14 -11.029 0.027 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.956 2.127 0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.189 0.595 1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.289 2.074 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.118 -1.356 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.739 0.999 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.568 -2.435 -1.347 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.872 -1.258 -3.395 1.00 0.00 H new ATOM 209 N THR A 15 -12.046 0.890 1.589 1.00 0.00 N ATOM 210 CA THR A 15 -12.910 1.370 2.660 1.00 0.00 C ATOM 211 C THR A 15 -12.118 2.169 3.688 1.00 0.00 C ATOM 212 O THR A 15 -10.898 2.295 3.586 1.00 0.00 O ATOM 213 CB THR A 15 -13.624 0.205 3.371 1.00 0.00 C ATOM 214 OG1 THR A 15 -12.707 -0.874 3.586 1.00 0.00 O ATOM 215 CG2 THR A 15 -14.808 -0.286 2.551 1.00 0.00 C ATOM 0 H THR A 15 -11.810 -0.100 1.650 1.00 0.00 H new ATOM 0 HA THR A 15 -13.657 2.016 2.198 1.00 0.00 H new ATOM 0 HB THR A 15 -13.992 0.566 4.331 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.168 -1.610 4.040 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.296 -1.109 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.518 0.529 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.459 -0.631 1.578 1.00 0.00 H new ATOM 223 N ASP A 16 -12.820 2.708 4.680 1.00 0.00 N ATOM 224 CA ASP A 16 -12.182 3.494 5.729 1.00 0.00 C ATOM 225 C ASP A 16 -11.168 2.653 6.498 1.00 0.00 C ATOM 226 O ASP A 16 -10.039 3.083 6.729 1.00 0.00 O ATOM 227 CB ASP A 16 -13.234 4.052 6.689 1.00 0.00 C ATOM 228 CG ASP A 16 -13.846 5.345 6.189 1.00 0.00 C ATOM 229 OD1 ASP A 16 -13.084 6.297 5.917 1.00 0.00 O ATOM 230 OD2 ASP A 16 -15.087 5.406 6.069 1.00 0.00 O ATOM 0 H ASP A 16 -13.831 2.615 4.779 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.655 4.324 5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.021 3.312 6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.778 4.223 7.664 1.00 0.00 H new ATOM 235 N GLU A 17 -11.581 1.452 6.893 1.00 0.00 N ATOM 236 CA GLU A 17 -10.709 0.552 7.638 1.00 0.00 C ATOM 237 C GLU A 17 -9.457 0.216 6.832 1.00 0.00 C ATOM 238 O GLU A 17 -8.339 0.299 7.340 1.00 0.00 O ATOM 239 CB GLU A 17 -11.455 -0.733 8.001 1.00 0.00 C ATOM 240 CG GLU A 17 -12.128 -1.402 6.814 1.00 0.00 C ATOM 241 CD GLU A 17 -13.008 -2.567 7.223 1.00 0.00 C ATOM 242 OE1 GLU A 17 -12.685 -3.230 8.230 1.00 0.00 O ATOM 243 OE2 GLU A 17 -14.021 -2.815 6.535 1.00 0.00 O ATOM 0 H GLU A 17 -12.513 1.081 6.709 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.405 1.058 8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.754 -1.435 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.209 -0.505 8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.730 -0.667 6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.365 -1.754 6.119 1.00 0.00 H new ATOM 250 N GLN A 18 -9.655 -0.163 5.574 1.00 0.00 N ATOM 251 CA GLN A 18 -8.544 -0.513 4.698 1.00 0.00 C ATOM 252 C GLN A 18 -7.531 0.625 4.622 1.00 0.00 C ATOM 253 O GLN A 18 -6.338 0.426 4.855 1.00 0.00 O ATOM 254 CB GLN A 18 -9.057 -0.850 3.297 1.00 0.00 C ATOM 255 CG GLN A 18 -9.908 -2.108 3.246 1.00 0.00 C ATOM 256 CD GLN A 18 -10.647 -2.261 1.931 1.00 0.00 C ATOM 257 OE1 GLN A 18 -10.454 -1.476 1.003 1.00 0.00 O ATOM 258 NE2 GLN A 18 -11.499 -3.276 1.845 1.00 0.00 N ATOM 0 H GLN A 18 -10.575 -0.236 5.139 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.048 -1.389 5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.642 -0.010 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.206 -0.970 2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.272 -2.979 3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.629 -2.087 4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.628 -3.903 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.025 -3.429 0.984 1.00 0.00 H new ATOM 267 N LEU A 19 -8.014 1.818 4.293 1.00 0.00 N ATOM 268 CA LEU A 19 -7.152 2.990 4.186 1.00 0.00 C ATOM 269 C LEU A 19 -6.507 3.316 5.529 1.00 0.00 C ATOM 270 O LEU A 19 -5.307 3.577 5.605 1.00 0.00 O ATOM 271 CB LEU A 19 -7.952 4.193 3.686 1.00 0.00 C ATOM 272 CG LEU A 19 -8.294 4.200 2.195 1.00 0.00 C ATOM 273 CD1 LEU A 19 -9.287 5.307 1.880 1.00 0.00 C ATOM 274 CD2 LEU A 19 -7.032 4.359 1.360 1.00 0.00 C ATOM 0 H LEU A 19 -8.998 1.999 4.096 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.362 2.765 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.882 4.246 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.389 5.098 3.913 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.755 3.245 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.518 5.296 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.202 5.149 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.854 6.271 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.294 4.362 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.543 5.299 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.354 3.530 1.564 1.00 0.00 H new ATOM 286 N GLU A 20 -7.313 3.298 6.587 1.00 0.00 N ATOM 287 CA GLU A 20 -6.819 3.591 7.927 1.00 0.00 C ATOM 288 C GLU A 20 -5.678 2.651 8.304 1.00 0.00 C ATOM 289 O GLU A 20 -4.620 3.091 8.753 1.00 0.00 O ATOM 290 CB GLU A 20 -7.952 3.471 8.949 1.00 0.00 C ATOM 291 CG GLU A 20 -7.485 3.578 10.391 1.00 0.00 C ATOM 292 CD GLU A 20 -8.598 3.316 11.386 1.00 0.00 C ATOM 293 OE1 GLU A 20 -9.181 2.212 11.346 1.00 0.00 O ATOM 294 OE2 GLU A 20 -8.887 4.214 12.204 1.00 0.00 O ATOM 0 H GLU A 20 -8.309 3.084 6.542 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.441 4.613 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.688 4.251 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.456 2.515 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.676 2.867 10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.076 4.573 10.563 1.00 0.00 H new ATOM 301 N ALA A 21 -5.901 1.354 8.119 1.00 0.00 N ATOM 302 CA ALA A 21 -4.892 0.352 8.437 1.00 0.00 C ATOM 303 C ALA A 21 -3.637 0.548 7.593 1.00 0.00 C ATOM 304 O ALA A 21 -2.524 0.594 8.118 1.00 0.00 O ATOM 305 CB ALA A 21 -5.454 -1.047 8.234 1.00 0.00 C ATOM 0 H ALA A 21 -6.772 0.973 7.750 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.615 0.472 9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.689 -1.785 8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.316 -1.191 8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.761 -1.169 7.195 1.00 0.00 H new ATOM 311 N LEU A 22 -3.824 0.663 6.283 1.00 0.00 N ATOM 312 CA LEU A 22 -2.707 0.853 5.364 1.00 0.00 C ATOM 313 C LEU A 22 -1.912 2.104 5.725 1.00 0.00 C ATOM 314 O LEU A 22 -0.682 2.088 5.737 1.00 0.00 O ATOM 315 CB LEU A 22 -3.215 0.956 3.925 1.00 0.00 C ATOM 316 CG LEU A 22 -3.813 -0.321 3.332 1.00 0.00 C ATOM 317 CD1 LEU A 22 -4.419 -0.041 1.965 1.00 0.00 C ATOM 318 CD2 LEU A 22 -2.755 -1.410 3.236 1.00 0.00 C ATOM 0 H LEU A 22 -4.739 0.628 5.833 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.049 -0.012 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.970 1.741 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.388 1.275 3.291 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.606 -0.670 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.840 -0.961 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.207 0.706 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.646 0.332 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.198 -2.311 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.940 -1.071 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.368 -1.630 4.231 1.00 0.00 H new ATOM 330 N GLU A 23 -2.625 3.187 6.021 1.00 0.00 N ATOM 331 CA GLU A 23 -1.986 4.446 6.384 1.00 0.00 C ATOM 332 C GLU A 23 -1.308 4.339 7.747 1.00 0.00 C ATOM 333 O GLU A 23 -0.207 4.849 7.946 1.00 0.00 O ATOM 334 CB GLU A 23 -3.014 5.579 6.401 1.00 0.00 C ATOM 335 CG GLU A 23 -3.244 6.212 5.039 1.00 0.00 C ATOM 336 CD GLU A 23 -4.576 6.930 4.947 1.00 0.00 C ATOM 337 OE1 GLU A 23 -4.663 8.082 5.421 1.00 0.00 O ATOM 338 OE2 GLU A 23 -5.532 6.341 4.400 1.00 0.00 O ATOM 0 H GLU A 23 -3.645 3.217 6.016 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.225 4.667 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.961 5.193 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.683 6.348 7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.440 6.918 4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.198 5.440 4.271 1.00 0.00 H new ATOM 345 N ASN A 24 -1.977 3.673 8.683 1.00 0.00 N ATOM 346 CA ASN A 24 -1.441 3.500 10.028 1.00 0.00 C ATOM 347 C ASN A 24 -0.136 2.710 9.996 1.00 0.00 C ATOM 348 O ASN A 24 0.803 3.011 10.735 1.00 0.00 O ATOM 349 CB ASN A 24 -2.460 2.786 10.918 1.00 0.00 C ATOM 350 CG ASN A 24 -3.460 3.744 11.536 1.00 0.00 C ATOM 351 OD1 ASN A 24 -3.204 4.944 11.640 1.00 0.00 O ATOM 352 ND2 ASN A 24 -4.606 3.217 11.950 1.00 0.00 N ATOM 0 H ASN A 24 -2.891 3.245 8.535 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.237 4.488 10.441 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.993 2.039 10.329 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.935 2.252 11.710 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.317 3.812 12.374 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.775 2.217 11.844 1.00 0.00 H new ATOM 359 N LEU A 25 -0.084 1.699 9.136 1.00 0.00 N ATOM 360 CA LEU A 25 1.106 0.865 9.006 1.00 0.00 C ATOM 361 C LEU A 25 2.164 1.555 8.151 1.00 0.00 C ATOM 362 O LEU A 25 3.337 1.612 8.520 1.00 0.00 O ATOM 363 CB LEU A 25 0.741 -0.488 8.393 1.00 0.00 C ATOM 364 CG LEU A 25 1.913 -1.410 8.056 1.00 0.00 C ATOM 365 CD1 LEU A 25 2.696 -1.760 9.313 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.417 -2.673 7.367 1.00 0.00 C ATOM 0 H LEU A 25 -0.852 1.437 8.518 1.00 0.00 H new ATOM 0 HA LEU A 25 1.518 0.706 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.080 -1.011 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.171 -0.309 7.481 1.00 0.00 H new ATOM 0 HG LEU A 25 2.579 -0.884 7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.526 -2.417 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.083 -0.848 9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.040 -2.267 10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.265 -3.317 7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.730 -3.202 8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.901 -2.406 6.445 1.00 0.00 H new ATOM 378 N PHE A 26 1.741 2.081 7.006 1.00 0.00 N ATOM 379 CA PHE A 26 2.651 2.769 6.098 1.00 0.00 C ATOM 380 C PHE A 26 3.297 3.970 6.782 1.00 0.00 C ATOM 381 O PHE A 26 4.468 4.272 6.551 1.00 0.00 O ATOM 382 CB PHE A 26 1.905 3.224 4.842 1.00 0.00 C ATOM 383 CG PHE A 26 2.755 4.024 3.896 1.00 0.00 C ATOM 384 CD1 PHE A 26 3.148 5.313 4.219 1.00 0.00 C ATOM 385 CD2 PHE A 26 3.159 3.487 2.685 1.00 0.00 C ATOM 386 CE1 PHE A 26 3.931 6.051 3.351 1.00 0.00 C ATOM 387 CE2 PHE A 26 3.942 4.221 1.813 1.00 0.00 C ATOM 388 CZ PHE A 26 4.327 5.505 2.147 1.00 0.00 C ATOM 0 H PHE A 26 0.774 2.044 6.685 1.00 0.00 H new ATOM 0 HA PHE A 26 3.437 2.070 5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.521 2.348 4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.043 3.822 5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.839 5.746 5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.859 2.484 2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.233 7.054 3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.252 3.791 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.937 6.081 1.467 1.00 0.00 H new ATOM 398 N GLN A 27 2.526 4.650 7.624 1.00 0.00 N ATOM 399 CA GLN A 27 3.023 5.818 8.341 1.00 0.00 C ATOM 400 C GLN A 27 4.217 5.453 9.215 1.00 0.00 C ATOM 401 O GLN A 27 5.317 5.972 9.028 1.00 0.00 O ATOM 402 CB GLN A 27 1.913 6.426 9.200 1.00 0.00 C ATOM 403 CG GLN A 27 0.958 7.316 8.421 1.00 0.00 C ATOM 404 CD GLN A 27 1.546 8.681 8.121 1.00 0.00 C ATOM 405 OE1 GLN A 27 1.968 9.400 9.027 1.00 0.00 O ATOM 406 NE2 GLN A 27 1.576 9.045 6.845 1.00 0.00 N ATOM 0 H GLN A 27 1.555 4.412 7.826 1.00 0.00 H new ATOM 0 HA GLN A 27 3.347 6.554 7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.346 5.622 9.669 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.365 7.008 10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.692 6.825 7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.036 7.439 8.990 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.215 8.417 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.960 9.953 6.583 1.00 0.00 H new ATOM 415 N GLU A 28 3.992 4.556 10.171 1.00 0.00 N ATOM 416 CA GLU A 28 5.051 4.123 11.075 1.00 0.00 C ATOM 417 C GLU A 28 6.223 3.531 10.297 1.00 0.00 C ATOM 418 O GLU A 28 7.381 3.871 10.542 1.00 0.00 O ATOM 419 CB GLU A 28 4.513 3.093 12.070 1.00 0.00 C ATOM 420 CG GLU A 28 3.975 1.834 11.411 1.00 0.00 C ATOM 421 CD GLU A 28 3.351 0.875 12.407 1.00 0.00 C ATOM 422 OE1 GLU A 28 3.829 0.822 13.559 1.00 0.00 O ATOM 423 OE2 GLU A 28 2.385 0.177 12.032 1.00 0.00 O ATOM 0 H GLU A 28 3.087 4.116 10.339 1.00 0.00 H new ATOM 0 HA GLU A 28 5.405 4.996 11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.309 2.819 12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.720 3.551 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.232 2.109 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.785 1.329 10.885 1.00 0.00 H new ATOM 430 N THR A 29 5.914 2.643 9.358 1.00 0.00 N ATOM 431 CA THR A 29 6.939 2.002 8.545 1.00 0.00 C ATOM 432 C THR A 29 6.612 2.111 7.060 1.00 0.00 C ATOM 433 O THR A 29 5.454 1.996 6.659 1.00 0.00 O ATOM 434 CB THR A 29 7.102 0.516 8.915 1.00 0.00 C ATOM 435 OG1 THR A 29 8.146 -0.073 8.132 1.00 0.00 O ATOM 436 CG2 THR A 29 5.803 -0.243 8.690 1.00 0.00 C ATOM 0 H THR A 29 4.961 2.351 9.142 1.00 0.00 H new ATOM 0 HA THR A 29 7.874 2.524 8.747 1.00 0.00 H new ATOM 0 HB THR A 29 7.363 0.454 9.972 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.244 -1.017 8.375 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.942 -1.290 8.958 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.017 0.189 9.310 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.517 -0.172 7.641 1.00 0.00 H new ATOM 444 N LYS A 30 7.639 2.334 6.247 1.00 0.00 N ATOM 445 CA LYS A 30 7.462 2.457 4.805 1.00 0.00 C ATOM 446 C LYS A 30 7.232 1.090 4.167 1.00 0.00 C ATOM 447 O LYS A 30 6.414 0.949 3.258 1.00 0.00 O ATOM 448 CB LYS A 30 8.685 3.127 4.175 1.00 0.00 C ATOM 449 CG LYS A 30 8.872 4.573 4.600 1.00 0.00 C ATOM 450 CD LYS A 30 7.951 5.504 3.829 1.00 0.00 C ATOM 451 CE LYS A 30 8.416 6.949 3.919 1.00 0.00 C ATOM 452 NZ LYS A 30 8.199 7.518 5.278 1.00 0.00 N ATOM 0 H LYS A 30 8.604 2.433 6.563 1.00 0.00 H new ATOM 0 HA LYS A 30 6.583 3.076 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.577 2.560 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.593 3.085 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.676 4.668 5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.908 4.869 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.914 5.197 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.937 5.422 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.475 7.006 3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.880 7.549 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.529 8.504 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.186 7.487 5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.731 6.961 5.977 1.00 0.00 H new ATOM 466 N TYR A 31 7.958 0.088 4.649 1.00 0.00 N ATOM 467 CA TYR A 31 7.834 -1.267 4.125 1.00 0.00 C ATOM 468 C TYR A 31 7.698 -2.279 5.258 1.00 0.00 C ATOM 469 O TYR A 31 8.672 -2.652 5.912 1.00 0.00 O ATOM 470 CB TYR A 31 9.046 -1.614 3.259 1.00 0.00 C ATOM 471 CG TYR A 31 9.067 -0.892 1.930 1.00 0.00 C ATOM 472 CD1 TYR A 31 9.165 0.492 1.870 1.00 0.00 C ATOM 473 CD2 TYR A 31 8.991 -1.596 0.734 1.00 0.00 C ATOM 474 CE1 TYR A 31 9.184 1.156 0.659 1.00 0.00 C ATOM 475 CE2 TYR A 31 9.011 -0.941 -0.482 1.00 0.00 C ATOM 476 CZ TYR A 31 9.107 0.435 -0.515 1.00 0.00 C ATOM 477 OH TYR A 31 9.127 1.092 -1.724 1.00 0.00 O ATOM 0 H TYR A 31 8.639 0.188 5.402 1.00 0.00 H new ATOM 0 HA TYR A 31 6.933 -1.311 3.513 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.956 -1.373 3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.058 -2.689 3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.227 1.059 2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.915 -2.673 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.259 2.233 0.631 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.952 -1.503 -1.402 1.00 0.00 H new ATOM 0 HH TYR A 31 9.066 0.439 -2.452 1.00 0.00 H new ATOM 487 N PRO A 32 6.459 -2.737 5.495 1.00 0.00 N ATOM 488 CA PRO A 32 6.165 -3.713 6.548 1.00 0.00 C ATOM 489 C PRO A 32 6.720 -5.097 6.228 1.00 0.00 C ATOM 490 O PRO A 32 7.415 -5.281 5.228 1.00 0.00 O ATOM 491 CB PRO A 32 4.635 -3.746 6.584 1.00 0.00 C ATOM 492 CG PRO A 32 4.215 -3.321 5.218 1.00 0.00 C ATOM 493 CD PRO A 32 5.252 -2.336 4.754 1.00 0.00 C ATOM 0 HA PRO A 32 6.622 -3.437 7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.266 -4.744 6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.242 -3.073 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.159 -4.175 4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.225 -2.865 5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.405 -2.392 3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.963 -1.310 4.982 1.00 0.00 H new ATOM 501 N ASP A 33 6.408 -6.066 7.080 1.00 0.00 N ATOM 502 CA ASP A 33 6.874 -7.434 6.887 1.00 0.00 C ATOM 503 C ASP A 33 5.723 -8.348 6.477 1.00 0.00 C ATOM 504 O ASP A 33 4.569 -7.924 6.422 1.00 0.00 O ATOM 505 CB ASP A 33 7.528 -7.959 8.166 1.00 0.00 C ATOM 506 CG ASP A 33 8.455 -9.130 7.904 1.00 0.00 C ATOM 507 OD1 ASP A 33 9.285 -9.033 6.976 1.00 0.00 O ATOM 508 OD2 ASP A 33 8.350 -10.143 8.627 1.00 0.00 O ATOM 0 H ASP A 33 5.834 -5.930 7.912 1.00 0.00 H new ATOM 0 HA ASP A 33 7.613 -7.429 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.089 -7.154 8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.752 -8.264 8.869 1.00 0.00 H new ATOM 513 N VAL A 34 6.046 -9.605 6.190 1.00 0.00 N ATOM 514 CA VAL A 34 5.040 -10.579 5.785 1.00 0.00 C ATOM 515 C VAL A 34 4.043 -10.839 6.909 1.00 0.00 C ATOM 516 O VAL A 34 2.836 -10.907 6.680 1.00 0.00 O ATOM 517 CB VAL A 34 5.686 -11.914 5.368 1.00 0.00 C ATOM 518 CG1 VAL A 34 6.486 -12.503 6.521 1.00 0.00 C ATOM 519 CG2 VAL A 34 4.624 -12.893 4.890 1.00 0.00 C ATOM 0 H VAL A 34 6.997 -9.973 6.231 1.00 0.00 H new ATOM 0 HA VAL A 34 4.516 -10.155 4.929 1.00 0.00 H new ATOM 0 HB VAL A 34 6.371 -11.724 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.935 -13.446 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.272 -11.806 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.825 -12.680 7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.098 -13.831 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.913 -13.080 5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.099 -12.471 4.033 1.00 0.00 H new ATOM 529 N GLY A 35 4.557 -10.983 8.127 1.00 0.00 N ATOM 530 CA GLY A 35 3.698 -11.233 9.270 1.00 0.00 C ATOM 531 C GLY A 35 2.731 -10.095 9.528 1.00 0.00 C ATOM 532 O GLY A 35 1.593 -10.318 9.944 1.00 0.00 O ATOM 0 H GLY A 35 5.553 -10.931 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.136 -12.152 9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.314 -11.391 10.156 1.00 0.00 H new ATOM 536 N THR A 36 3.183 -8.869 9.283 1.00 0.00 N ATOM 537 CA THR A 36 2.351 -7.691 9.495 1.00 0.00 C ATOM 538 C THR A 36 1.357 -7.508 8.353 1.00 0.00 C ATOM 539 O THR A 36 0.187 -7.199 8.579 1.00 0.00 O ATOM 540 CB THR A 36 3.205 -6.416 9.626 1.00 0.00 C ATOM 541 OG1 THR A 36 4.262 -6.630 10.568 1.00 0.00 O ATOM 542 CG2 THR A 36 2.353 -5.238 10.072 1.00 0.00 C ATOM 0 H THR A 36 4.121 -8.666 8.937 1.00 0.00 H new ATOM 0 HA THR A 36 1.807 -7.852 10.426 1.00 0.00 H new ATOM 0 HB THR A 36 3.630 -6.187 8.649 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.802 -5.816 10.645 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.978 -4.349 10.158 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.566 -5.060 9.339 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.903 -5.460 11.040 1.00 0.00 H new ATOM 550 N ARG A 37 1.831 -7.700 7.126 1.00 0.00 N ATOM 551 CA ARG A 37 0.983 -7.555 5.949 1.00 0.00 C ATOM 552 C ARG A 37 -0.112 -8.618 5.933 1.00 0.00 C ATOM 553 O ARG A 37 -1.283 -8.312 5.711 1.00 0.00 O ATOM 554 CB ARG A 37 1.823 -7.655 4.674 1.00 0.00 C ATOM 555 CG ARG A 37 2.703 -6.440 4.428 1.00 0.00 C ATOM 556 CD ARG A 37 3.042 -6.287 2.954 1.00 0.00 C ATOM 557 NE ARG A 37 3.963 -7.323 2.493 1.00 0.00 N ATOM 558 CZ ARG A 37 4.765 -7.180 1.444 1.00 0.00 C ATOM 559 NH1 ARG A 37 4.761 -6.049 0.752 1.00 0.00 N ATOM 560 NH2 ARG A 37 5.575 -8.168 1.087 1.00 0.00 N ATOM 0 H ARG A 37 2.797 -7.956 6.921 1.00 0.00 H new ATOM 0 HA ARG A 37 0.512 -6.573 5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.452 -8.543 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.158 -7.791 3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.194 -5.543 4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.622 -6.532 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.126 -6.329 2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.486 -5.306 2.784 1.00 0.00 H new ATOM 0 HE ARG A 37 3.992 -8.205 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.141 -5.286 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.378 -5.942 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.582 -9.039 1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.190 -8.057 0.281 1.00 0.00 H new ATOM 574 N GLU A 38 0.278 -9.866 6.170 1.00 0.00 N ATOM 575 CA GLU A 38 -0.671 -10.973 6.182 1.00 0.00 C ATOM 576 C GLU A 38 -1.829 -10.687 7.133 1.00 0.00 C ATOM 577 O GLU A 38 -2.995 -10.856 6.775 1.00 0.00 O ATOM 578 CB GLU A 38 0.030 -12.271 6.591 1.00 0.00 C ATOM 579 CG GLU A 38 0.757 -12.956 5.446 1.00 0.00 C ATOM 580 CD GLU A 38 1.091 -14.403 5.751 1.00 0.00 C ATOM 581 OE1 GLU A 38 0.310 -15.053 6.477 1.00 0.00 O ATOM 582 OE2 GLU A 38 2.135 -14.886 5.263 1.00 0.00 O ATOM 0 H GLU A 38 1.244 -10.136 6.356 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.070 -11.086 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.744 -12.054 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.708 -12.958 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.139 -12.911 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.676 -12.413 5.227 1.00 0.00 H new ATOM 589 N GLN A 39 -1.499 -10.253 8.345 1.00 0.00 N ATOM 590 CA GLN A 39 -2.511 -9.945 9.348 1.00 0.00 C ATOM 591 C GLN A 39 -3.344 -8.738 8.928 1.00 0.00 C ATOM 592 O GLN A 39 -4.574 -8.797 8.902 1.00 0.00 O ATOM 593 CB GLN A 39 -1.853 -9.678 10.703 1.00 0.00 C ATOM 594 CG GLN A 39 -1.693 -10.925 11.557 1.00 0.00 C ATOM 595 CD GLN A 39 -1.418 -10.603 13.013 1.00 0.00 C ATOM 596 OE1 GLN A 39 -2.219 -9.944 13.678 1.00 0.00 O ATOM 597 NE2 GLN A 39 -0.281 -11.068 13.518 1.00 0.00 N ATOM 0 H GLN A 39 -0.539 -10.107 8.656 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.172 -10.807 9.437 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.872 -9.231 10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.449 -8.947 11.250 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.599 -11.528 11.487 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.876 -11.529 11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.354 -11.610 12.931 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.043 -10.884 14.492 1.00 0.00 H new ATOM 606 N LEU A 40 -2.666 -7.644 8.599 1.00 0.00 N ATOM 607 CA LEU A 40 -3.344 -6.421 8.179 1.00 0.00 C ATOM 608 C LEU A 40 -4.352 -6.710 7.072 1.00 0.00 C ATOM 609 O LEU A 40 -5.499 -6.271 7.133 1.00 0.00 O ATOM 610 CB LEU A 40 -2.323 -5.389 7.699 1.00 0.00 C ATOM 611 CG LEU A 40 -2.861 -3.979 7.448 1.00 0.00 C ATOM 612 CD1 LEU A 40 -2.762 -3.138 8.711 1.00 0.00 C ATOM 613 CD2 LEU A 40 -2.108 -3.317 6.304 1.00 0.00 C ATOM 0 H LEU A 40 -1.648 -7.578 8.615 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.882 -6.019 9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.525 -5.325 8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.873 -5.754 6.776 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.912 -4.056 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.149 -2.138 8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.346 -3.603 9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.719 -3.069 9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.504 -2.315 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.049 -3.252 6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.231 -3.909 5.397 1.00 0.00 H new ATOM 625 N ALA A 41 -3.915 -7.454 6.060 1.00 0.00 N ATOM 626 CA ALA A 41 -4.780 -7.805 4.941 1.00 0.00 C ATOM 627 C ALA A 41 -6.101 -8.388 5.431 1.00 0.00 C ATOM 628 O ALA A 41 -7.162 -7.793 5.240 1.00 0.00 O ATOM 629 CB ALA A 41 -4.076 -8.789 4.018 1.00 0.00 C ATOM 0 H ALA A 41 -2.967 -7.825 5.993 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.999 -6.895 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.734 -9.042 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.162 -8.337 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.827 -9.694 4.573 1.00 0.00 H new ATOM 635 N ARG A 42 -6.030 -9.556 6.062 1.00 0.00 N ATOM 636 CA ARG A 42 -7.221 -10.220 6.577 1.00 0.00 C ATOM 637 C ARG A 42 -8.007 -9.291 7.496 1.00 0.00 C ATOM 638 O ARG A 42 -9.236 -9.344 7.547 1.00 0.00 O ATOM 639 CB ARG A 42 -6.834 -11.494 7.331 1.00 0.00 C ATOM 640 CG ARG A 42 -6.598 -12.691 6.424 1.00 0.00 C ATOM 641 CD ARG A 42 -7.896 -13.184 5.803 1.00 0.00 C ATOM 642 NE ARG A 42 -7.714 -14.439 5.080 1.00 0.00 N ATOM 643 CZ ARG A 42 -8.508 -14.841 4.094 1.00 0.00 C ATOM 644 NH1 ARG A 42 -9.533 -14.089 3.715 1.00 0.00 N ATOM 645 NH2 ARG A 42 -8.278 -15.997 3.484 1.00 0.00 N ATOM 0 H ARG A 42 -5.160 -10.062 6.229 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.854 -10.485 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.930 -11.303 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.622 -11.738 8.043 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.897 -12.419 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.138 -13.497 6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.643 -13.321 6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.283 -12.426 5.122 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.934 -15.040 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.713 -13.200 4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.141 -14.400 2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.491 -16.578 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.889 -16.305 2.727 1.00 0.00 H new ATOM 659 N LYS A 43 -7.291 -8.439 8.221 1.00 0.00 N ATOM 660 CA LYS A 43 -7.920 -7.496 9.139 1.00 0.00 C ATOM 661 C LYS A 43 -8.754 -6.471 8.378 1.00 0.00 C ATOM 662 O LYS A 43 -9.840 -6.091 8.816 1.00 0.00 O ATOM 663 CB LYS A 43 -6.857 -6.783 9.978 1.00 0.00 C ATOM 664 CG LYS A 43 -7.390 -5.583 10.742 1.00 0.00 C ATOM 665 CD LYS A 43 -8.404 -5.999 11.795 1.00 0.00 C ATOM 666 CE LYS A 43 -8.522 -4.956 12.896 1.00 0.00 C ATOM 667 NZ LYS A 43 -9.655 -5.248 13.817 1.00 0.00 N ATOM 0 H LYS A 43 -6.273 -8.382 8.191 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.580 -8.057 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.428 -7.493 10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.048 -6.457 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.563 -5.058 11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.853 -4.883 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.377 -6.147 11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.110 -6.955 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.592 -4.920 13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.661 -3.971 12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.702 -4.515 14.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.546 -5.257 13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.510 -6.177 14.262 1.00 0.00 H new ATOM 681 N VAL A 44 -8.241 -6.029 7.234 1.00 0.00 N ATOM 682 CA VAL A 44 -8.941 -5.050 6.411 1.00 0.00 C ATOM 683 C VAL A 44 -9.725 -5.730 5.294 1.00 0.00 C ATOM 684 O VAL A 44 -10.208 -5.074 4.371 1.00 0.00 O ATOM 685 CB VAL A 44 -7.961 -4.035 5.791 1.00 0.00 C ATOM 686 CG1 VAL A 44 -7.226 -3.269 6.879 1.00 0.00 C ATOM 687 CG2 VAL A 44 -6.979 -4.740 4.867 1.00 0.00 C ATOM 0 H VAL A 44 -7.344 -6.333 6.856 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.633 -4.522 7.067 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.532 -3.319 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.539 -2.557 6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.947 -2.732 7.496 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.665 -3.967 7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.294 -4.009 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.412 -5.479 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.526 -5.238 4.067 1.00 0.00 H new ATOM 697 N HIS A 45 -9.848 -7.051 5.385 1.00 0.00 N ATOM 698 CA HIS A 45 -10.575 -7.821 4.382 1.00 0.00 C ATOM 699 C HIS A 45 -9.983 -7.600 2.993 1.00 0.00 C ATOM 700 O HIS A 45 -10.709 -7.343 2.032 1.00 0.00 O ATOM 701 CB HIS A 45 -12.054 -7.437 4.387 1.00 0.00 C ATOM 702 CG HIS A 45 -12.766 -7.807 5.652 1.00 0.00 C ATOM 703 ND1 HIS A 45 -13.618 -8.886 5.747 1.00 0.00 N ATOM 704 CD2 HIS A 45 -12.746 -7.235 6.878 1.00 0.00 C ATOM 705 CE1 HIS A 45 -14.094 -8.961 6.977 1.00 0.00 C ATOM 706 NE2 HIS A 45 -13.579 -7.971 7.684 1.00 0.00 N ATOM 0 H HIS A 45 -9.454 -7.610 6.142 1.00 0.00 H new ATOM 0 HA HIS A 45 -10.482 -8.878 4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.142 -6.362 4.232 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.549 -7.922 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.180 -6.362 7.169 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -14.786 -9.705 7.342 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -13.769 -7.784 8.668 1.00 0.00 H new ATOM 715 N LEU A 46 -8.663 -7.701 2.895 1.00 0.00 N ATOM 716 CA LEU A 46 -7.973 -7.511 1.623 1.00 0.00 C ATOM 717 C LEU A 46 -6.908 -8.582 1.416 1.00 0.00 C ATOM 718 O LEU A 46 -6.691 -9.432 2.281 1.00 0.00 O ATOM 719 CB LEU A 46 -7.334 -6.122 1.569 1.00 0.00 C ATOM 720 CG LEU A 46 -8.297 -4.937 1.637 1.00 0.00 C ATOM 721 CD1 LEU A 46 -7.527 -3.627 1.702 1.00 0.00 C ATOM 722 CD2 LEU A 46 -9.238 -4.945 0.441 1.00 0.00 C ATOM 0 H LEU A 46 -8.048 -7.913 3.681 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.708 -7.597 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.627 -6.037 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.759 -6.044 0.646 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.894 -5.030 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.229 -2.794 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.895 -3.620 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.905 -3.526 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.916 -4.094 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.658 -4.877 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.815 -5.870 0.438 1.00 0.00 H new ATOM 734 N ARG A 47 -6.244 -8.535 0.266 1.00 0.00 N ATOM 735 CA ARG A 47 -5.200 -9.501 -0.054 1.00 0.00 C ATOM 736 C ARG A 47 -3.816 -8.908 0.196 1.00 0.00 C ATOM 737 O ARG A 47 -3.617 -7.700 0.078 1.00 0.00 O ATOM 738 CB ARG A 47 -5.319 -9.948 -1.512 1.00 0.00 C ATOM 739 CG ARG A 47 -6.572 -10.759 -1.800 1.00 0.00 C ATOM 740 CD ARG A 47 -6.830 -10.874 -3.294 1.00 0.00 C ATOM 741 NE ARG A 47 -8.132 -11.471 -3.580 1.00 0.00 N ATOM 742 CZ ARG A 47 -8.351 -12.781 -3.607 1.00 0.00 C ATOM 743 NH1 ARG A 47 -7.358 -13.627 -3.367 1.00 0.00 N ATOM 744 NH2 ARG A 47 -9.564 -13.247 -3.875 1.00 0.00 N ATOM 0 H ARG A 47 -6.410 -7.838 -0.460 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.329 -10.366 0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.310 -9.068 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.444 -10.542 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.469 -11.755 -1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.429 -10.290 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.777 -9.885 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.046 -11.477 -3.752 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.917 -10.847 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.424 -13.272 -3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.528 -14.632 -3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.330 -12.599 -4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.731 -14.253 -3.895 1.00 0.00 H new ATOM 758 N GLU A 48 -2.863 -9.769 0.542 1.00 0.00 N ATOM 759 CA GLU A 48 -1.499 -9.329 0.810 1.00 0.00 C ATOM 760 C GLU A 48 -0.929 -8.566 -0.383 1.00 0.00 C ATOM 761 O GLU A 48 -0.321 -7.509 -0.222 1.00 0.00 O ATOM 762 CB GLU A 48 -0.607 -10.530 1.135 1.00 0.00 C ATOM 763 CG GLU A 48 -0.997 -11.248 2.416 1.00 0.00 C ATOM 764 CD GLU A 48 -2.047 -12.318 2.188 1.00 0.00 C ATOM 765 OE1 GLU A 48 -3.244 -11.967 2.117 1.00 0.00 O ATOM 766 OE2 GLU A 48 -1.674 -13.504 2.082 1.00 0.00 O ATOM 0 H GLU A 48 -3.011 -10.773 0.643 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.522 -8.659 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.647 -11.236 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.426 -10.193 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.110 -11.703 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.374 -10.521 3.135 1.00 0.00 H new ATOM 773 N GLU A 49 -1.130 -9.113 -1.578 1.00 0.00 N ATOM 774 CA GLU A 49 -0.635 -8.484 -2.797 1.00 0.00 C ATOM 775 C GLU A 49 -1.220 -7.085 -2.964 1.00 0.00 C ATOM 776 O GLU A 49 -0.503 -6.132 -3.271 1.00 0.00 O ATOM 777 CB GLU A 49 -0.980 -9.342 -4.016 1.00 0.00 C ATOM 778 CG GLU A 49 -2.471 -9.569 -4.198 1.00 0.00 C ATOM 779 CD GLU A 49 -2.777 -10.810 -5.015 1.00 0.00 C ATOM 780 OE1 GLU A 49 -2.131 -11.003 -6.066 1.00 0.00 O ATOM 781 OE2 GLU A 49 -3.663 -11.588 -4.602 1.00 0.00 O ATOM 0 H GLU A 49 -1.631 -9.989 -1.728 1.00 0.00 H new ATOM 0 HA GLU A 49 0.449 -8.398 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.582 -8.864 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.483 -10.307 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.943 -9.657 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.910 -8.699 -4.687 1.00 0.00 H new ATOM 788 N LYS A 50 -2.528 -6.969 -2.760 1.00 0.00 N ATOM 789 CA LYS A 50 -3.212 -5.687 -2.887 1.00 0.00 C ATOM 790 C LYS A 50 -2.632 -4.663 -1.917 1.00 0.00 C ATOM 791 O LYS A 50 -2.361 -3.522 -2.292 1.00 0.00 O ATOM 792 CB LYS A 50 -4.710 -5.858 -2.629 1.00 0.00 C ATOM 793 CG LYS A 50 -5.485 -6.342 -3.843 1.00 0.00 C ATOM 794 CD LYS A 50 -5.990 -5.180 -4.681 1.00 0.00 C ATOM 795 CE LYS A 50 -6.789 -5.665 -5.882 1.00 0.00 C ATOM 796 NZ LYS A 50 -5.907 -6.021 -7.028 1.00 0.00 N ATOM 0 H LYS A 50 -3.136 -7.748 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.064 -5.323 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.851 -6.566 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.125 -4.905 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.846 -6.981 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.328 -6.951 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.613 -4.530 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.145 -4.582 -5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.382 -6.534 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.489 -4.888 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.489 -6.347 -7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.359 -5.186 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.256 -6.780 -6.742 1.00 0.00 H new ATOM 810 N VAL A 51 -2.442 -5.078 -0.668 1.00 0.00 N ATOM 811 CA VAL A 51 -1.892 -4.197 0.355 1.00 0.00 C ATOM 812 C VAL A 51 -0.620 -3.513 -0.135 1.00 0.00 C ATOM 813 O VAL A 51 -0.483 -2.294 -0.039 1.00 0.00 O ATOM 814 CB VAL A 51 -1.580 -4.968 1.651 1.00 0.00 C ATOM 815 CG1 VAL A 51 -0.939 -4.048 2.679 1.00 0.00 C ATOM 816 CG2 VAL A 51 -2.845 -5.604 2.209 1.00 0.00 C ATOM 0 H VAL A 51 -2.661 -6.019 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.650 -3.442 0.564 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.872 -5.763 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.726 -4.611 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.010 -3.644 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.621 -3.230 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.607 -6.145 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.577 -4.827 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.258 -6.296 1.476 1.00 0.00 H new ATOM 826 N GLU A 52 0.308 -4.308 -0.661 1.00 0.00 N ATOM 827 CA GLU A 52 1.569 -3.778 -1.165 1.00 0.00 C ATOM 828 C GLU A 52 1.325 -2.695 -2.211 1.00 0.00 C ATOM 829 O GLU A 52 1.915 -1.616 -2.154 1.00 0.00 O ATOM 830 CB GLU A 52 2.415 -4.902 -1.767 1.00 0.00 C ATOM 831 CG GLU A 52 3.809 -4.461 -2.180 1.00 0.00 C ATOM 832 CD GLU A 52 4.719 -5.629 -2.507 1.00 0.00 C ATOM 833 OE1 GLU A 52 4.525 -6.714 -1.920 1.00 0.00 O ATOM 834 OE2 GLU A 52 5.624 -5.458 -3.350 1.00 0.00 O ATOM 0 H GLU A 52 0.210 -5.319 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 52 2.108 -3.335 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.499 -5.711 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.899 -5.308 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.736 -3.808 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.253 -3.874 -1.376 1.00 0.00 H new ATOM 841 N VAL A 53 0.450 -2.991 -3.168 1.00 0.00 N ATOM 842 CA VAL A 53 0.127 -2.043 -4.227 1.00 0.00 C ATOM 843 C VAL A 53 -0.166 -0.659 -3.657 1.00 0.00 C ATOM 844 O VAL A 53 0.310 0.350 -4.176 1.00 0.00 O ATOM 845 CB VAL A 53 -1.087 -2.514 -5.050 1.00 0.00 C ATOM 846 CG1 VAL A 53 -1.458 -1.475 -6.098 1.00 0.00 C ATOM 847 CG2 VAL A 53 -0.801 -3.859 -5.700 1.00 0.00 C ATOM 0 H VAL A 53 -0.047 -3.879 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 53 0.999 -1.987 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.935 -2.635 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.318 -1.825 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.708 -0.535 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.614 -1.319 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.669 -4.176 -6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.061 -3.768 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.589 -4.599 -4.928 1.00 0.00 H new ATOM 857 N TRP A 54 -0.950 -0.621 -2.586 1.00 0.00 N ATOM 858 CA TRP A 54 -1.306 0.639 -1.944 1.00 0.00 C ATOM 859 C TRP A 54 -0.060 1.382 -1.476 1.00 0.00 C ATOM 860 O TRP A 54 0.067 2.590 -1.679 1.00 0.00 O ATOM 861 CB TRP A 54 -2.239 0.386 -0.759 1.00 0.00 C ATOM 862 CG TRP A 54 -2.794 1.643 -0.160 1.00 0.00 C ATOM 863 CD1 TRP A 54 -3.960 2.267 -0.500 1.00 0.00 C ATOM 864 CD2 TRP A 54 -2.204 2.430 0.880 1.00 0.00 C ATOM 865 NE1 TRP A 54 -4.131 3.394 0.267 1.00 0.00 N ATOM 866 CE2 TRP A 54 -3.068 3.516 1.122 1.00 0.00 C ATOM 867 CE3 TRP A 54 -1.031 2.321 1.633 1.00 0.00 C ATOM 868 CZ2 TRP A 54 -2.794 4.485 2.084 1.00 0.00 C ATOM 869 CZ3 TRP A 54 -0.761 3.284 2.586 1.00 0.00 C ATOM 870 CH2 TRP A 54 -1.639 4.354 2.806 1.00 0.00 C ATOM 0 H TRP A 54 -1.351 -1.448 -2.144 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.822 1.259 -2.677 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.064 -0.248 -1.084 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.697 -0.166 0.009 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.647 1.925 -1.260 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.922 4.036 0.209 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.349 1.499 1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.469 5.311 2.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.143 3.211 3.172 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.399 5.089 3.560 1.00 0.00 H new ATOM 881 N PHE A 55 0.858 0.654 -0.850 1.00 0.00 N ATOM 882 CA PHE A 55 2.095 1.245 -0.352 1.00 0.00 C ATOM 883 C PHE A 55 2.909 1.844 -1.495 1.00 0.00 C ATOM 884 O PHE A 55 3.418 2.961 -1.392 1.00 0.00 O ATOM 885 CB PHE A 55 2.927 0.195 0.386 1.00 0.00 C ATOM 886 CG PHE A 55 2.476 -0.042 1.799 1.00 0.00 C ATOM 887 CD1 PHE A 55 1.206 -0.528 2.063 1.00 0.00 C ATOM 888 CD2 PHE A 55 3.323 0.222 2.864 1.00 0.00 C ATOM 889 CE1 PHE A 55 0.788 -0.747 3.363 1.00 0.00 C ATOM 890 CE2 PHE A 55 2.911 0.004 4.165 1.00 0.00 C ATOM 891 CZ PHE A 55 1.642 -0.480 4.415 1.00 0.00 C ATOM 0 H PHE A 55 0.769 -0.347 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 55 1.833 2.043 0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.882 -0.745 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.971 0.510 0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.534 -0.738 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.316 0.602 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.205 -1.126 3.555 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.581 0.212 4.986 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.318 -0.649 5.431 1.00 0.00 H new ATOM 901 N LYS A 56 3.030 1.093 -2.585 1.00 0.00 N ATOM 902 CA LYS A 56 3.781 1.548 -3.748 1.00 0.00 C ATOM 903 C LYS A 56 3.135 2.785 -4.364 1.00 0.00 C ATOM 904 O LYS A 56 3.822 3.738 -4.729 1.00 0.00 O ATOM 905 CB LYS A 56 3.869 0.432 -4.792 1.00 0.00 C ATOM 906 CG LYS A 56 4.811 -0.693 -4.402 1.00 0.00 C ATOM 907 CD LYS A 56 4.403 -2.009 -5.042 1.00 0.00 C ATOM 908 CE LYS A 56 4.960 -2.140 -6.452 1.00 0.00 C ATOM 909 NZ LYS A 56 6.429 -2.389 -6.447 1.00 0.00 N ATOM 0 H LYS A 56 2.617 0.166 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 56 4.787 1.811 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.873 0.020 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.198 0.858 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.827 -0.440 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.820 -0.802 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.759 -2.838 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.316 -2.079 -5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.455 -2.957 -6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.748 -1.230 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.725 -2.738 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.930 -1.503 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.658 -3.100 -5.723 1.00 0.00 H new ATOM 923 N ASN A 57 1.811 2.762 -4.475 1.00 0.00 N ATOM 924 CA ASN A 57 1.073 3.883 -5.046 1.00 0.00 C ATOM 925 C ASN A 57 1.307 5.156 -4.240 1.00 0.00 C ATOM 926 O ASN A 57 1.487 6.236 -4.803 1.00 0.00 O ATOM 927 CB ASN A 57 -0.423 3.564 -5.093 1.00 0.00 C ATOM 928 CG ASN A 57 -0.753 2.484 -6.105 1.00 0.00 C ATOM 929 OD1 ASN A 57 0.137 1.931 -6.751 1.00 0.00 O ATOM 930 ND2 ASN A 57 -2.037 2.178 -6.247 1.00 0.00 N ATOM 0 H ASN A 57 1.227 1.980 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 57 1.436 4.045 -6.061 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.755 3.246 -4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.977 4.470 -5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.319 1.459 -6.913 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.741 2.662 -5.690 1.00 0.00 H new ATOM 937 N ARG A 58 1.305 5.022 -2.917 1.00 0.00 N ATOM 938 CA ARG A 58 1.517 6.161 -2.033 1.00 0.00 C ATOM 939 C ARG A 58 2.913 6.747 -2.226 1.00 0.00 C ATOM 940 O ARG A 58 3.066 7.941 -2.485 1.00 0.00 O ATOM 941 CB ARG A 58 1.324 5.744 -0.574 1.00 0.00 C ATOM 942 CG ARG A 58 -0.110 5.376 -0.230 1.00 0.00 C ATOM 943 CD ARG A 58 -0.884 6.578 0.289 1.00 0.00 C ATOM 944 NE ARG A 58 -1.403 7.405 -0.796 1.00 0.00 N ATOM 945 CZ ARG A 58 -0.755 8.450 -1.299 1.00 0.00 C ATOM 946 NH1 ARG A 58 0.432 8.793 -0.816 1.00 0.00 N ATOM 947 NH2 ARG A 58 -1.293 9.154 -2.287 1.00 0.00 N ATOM 0 H ARG A 58 1.159 4.135 -2.434 1.00 0.00 H new ATOM 0 HA ARG A 58 0.783 6.926 -2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.970 4.893 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.646 6.559 0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.606 4.976 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.114 4.587 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.711 6.235 0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.235 7.180 0.925 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.313 7.167 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.849 8.254 -0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.928 9.596 -1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.205 8.893 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.794 9.956 -2.672 1.00 0.00 H new