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= -0.145 USER MOD Single : A 18 GLN : amide:sc= -2.16! C(o=-2.2!,f=-7.5!) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.748 F(o=-1.7,f=-0.75) USER MOD Single : A 27 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.12) 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 137:sc= -0.179 USER MOD Single : A 39 GLN : amide:sc= -0.508 K(o=-0.51,f=-1.7) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -0.119 (180deg=-0.976) USER MOD Single : A 45 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0.012) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= -0.0568 (180deg=-0.629) USER MOD Single : A 57 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 189 N PHE A 14 -11.155 1.733 -1.730 1.00 0.00 N ATOM 190 CA PHE A 14 -11.131 1.084 -0.424 1.00 0.00 C ATOM 191 C PHE A 14 -11.996 1.844 0.577 1.00 0.00 C ATOM 192 O PHE A 14 -12.257 3.036 0.412 1.00 0.00 O ATOM 193 CB PHE A 14 -9.694 0.989 0.095 1.00 0.00 C ATOM 194 CG PHE A 14 -8.745 0.354 -0.882 1.00 0.00 C ATOM 195 CD1 PHE A 14 -8.717 -1.021 -1.046 1.00 0.00 C ATOM 196 CD2 PHE A 14 -7.882 1.133 -1.634 1.00 0.00 C ATOM 197 CE1 PHE A 14 -7.845 -1.608 -1.944 1.00 0.00 C ATOM 198 CE2 PHE A 14 -7.008 0.552 -2.534 1.00 0.00 C ATOM 199 CZ PHE A 14 -6.989 -0.821 -2.688 1.00 0.00 C ATOM 0 HA PHE A 14 -11.536 0.079 -0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.337 1.990 0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.688 0.414 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.384 -1.642 -0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.892 2.207 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.834 -2.681 -2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.341 1.171 -3.116 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.306 -1.277 -3.389 1.00 0.00 H new ATOM 209 N THR A 15 -12.439 1.145 1.618 1.00 0.00 N ATOM 210 CA THR A 15 -13.275 1.751 2.646 1.00 0.00 C ATOM 211 C THR A 15 -12.430 2.487 3.679 1.00 0.00 C ATOM 212 O THR A 15 -11.241 2.210 3.833 1.00 0.00 O ATOM 213 CB THR A 15 -14.139 0.696 3.362 1.00 0.00 C ATOM 214 OG1 THR A 15 -13.321 -0.401 3.785 1.00 0.00 O ATOM 215 CG2 THR A 15 -15.243 0.189 2.447 1.00 0.00 C ATOM 0 H THR A 15 -12.232 0.158 1.771 1.00 0.00 H new ATOM 0 HA THR A 15 -13.929 2.463 2.142 1.00 0.00 H new ATOM 0 HB THR A 15 -14.598 1.164 4.233 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.877 -1.067 4.241 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.840 -0.555 2.975 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.881 1.022 2.150 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.801 -0.264 1.559 1.00 0.00 H new ATOM 223 N ASP A 16 -13.052 3.424 4.386 1.00 0.00 N ATOM 224 CA ASP A 16 -12.357 4.199 5.407 1.00 0.00 C ATOM 225 C ASP A 16 -11.461 3.301 6.255 1.00 0.00 C ATOM 226 O ASP A 16 -10.256 3.530 6.358 1.00 0.00 O ATOM 227 CB ASP A 16 -13.364 4.925 6.301 1.00 0.00 C ATOM 228 CG ASP A 16 -14.461 4.006 6.801 1.00 0.00 C ATOM 229 OD1 ASP A 16 -15.397 3.721 6.025 1.00 0.00 O ATOM 230 OD2 ASP A 16 -14.383 3.571 7.969 1.00 0.00 O ATOM 0 H ASP A 16 -14.036 3.665 4.271 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.731 4.936 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.842 5.360 7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.810 5.750 5.746 1.00 0.00 H new ATOM 235 N GLU A 17 -12.058 2.279 6.859 1.00 0.00 N ATOM 236 CA GLU A 17 -11.314 1.348 7.699 1.00 0.00 C ATOM 237 C GLU A 17 -10.062 0.849 6.982 1.00 0.00 C ATOM 238 O GLU A 17 -8.948 0.999 7.481 1.00 0.00 O ATOM 239 CB GLU A 17 -12.197 0.161 8.091 1.00 0.00 C ATOM 240 CG GLU A 17 -11.599 -0.708 9.184 1.00 0.00 C ATOM 241 CD GLU A 17 -12.569 -1.756 9.693 1.00 0.00 C ATOM 242 OE1 GLU A 17 -13.155 -2.476 8.858 1.00 0.00 O ATOM 243 OE2 GLU A 17 -12.744 -1.855 10.926 1.00 0.00 O ATOM 0 H GLU A 17 -13.054 2.075 6.782 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.009 1.878 8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.165 0.534 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.378 -0.453 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.705 -1.201 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.285 -0.076 10.014 1.00 0.00 H new ATOM 250 N GLN A 18 -10.257 0.256 5.808 1.00 0.00 N ATOM 251 CA GLN A 18 -9.145 -0.265 5.023 1.00 0.00 C ATOM 252 C GLN A 18 -8.038 0.775 4.888 1.00 0.00 C ATOM 253 O GLN A 18 -6.865 0.485 5.130 1.00 0.00 O ATOM 254 CB GLN A 18 -9.629 -0.695 3.637 1.00 0.00 C ATOM 255 CG GLN A 18 -10.498 -1.941 3.655 1.00 0.00 C ATOM 256 CD GLN A 18 -10.974 -2.341 2.272 1.00 0.00 C ATOM 257 OE1 GLN A 18 -10.876 -1.566 1.321 1.00 0.00 O ATOM 258 NE2 GLN A 18 -11.494 -3.557 2.153 1.00 0.00 N ATOM 0 H GLN A 18 -11.174 0.125 5.381 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.741 -1.133 5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.192 0.123 3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.764 -0.875 2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.936 -2.765 4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.362 -1.767 4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.556 -4.167 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.831 -3.881 1.247 1.00 0.00 H new ATOM 267 N LEU A 19 -8.417 1.988 4.501 1.00 0.00 N ATOM 268 CA LEU A 19 -7.456 3.073 4.334 1.00 0.00 C ATOM 269 C LEU A 19 -6.752 3.385 5.651 1.00 0.00 C ATOM 270 O LEU A 19 -5.540 3.593 5.683 1.00 0.00 O ATOM 271 CB LEU A 19 -8.159 4.326 3.809 1.00 0.00 C ATOM 272 CG LEU A 19 -8.646 4.265 2.361 1.00 0.00 C ATOM 273 CD1 LEU A 19 -9.681 5.349 2.100 1.00 0.00 C ATOM 274 CD2 LEU A 19 -7.476 4.400 1.398 1.00 0.00 C ATOM 0 H LEU A 19 -9.383 2.245 4.297 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.707 2.754 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.015 4.534 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.476 5.170 3.906 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.116 3.295 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.016 5.290 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.532 5.207 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.237 6.328 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.842 4.354 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.977 5.355 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.769 3.588 1.568 1.00 0.00 H new ATOM 286 N GLU A 20 -7.521 3.412 6.735 1.00 0.00 N ATOM 287 CA GLU A 20 -6.970 3.697 8.054 1.00 0.00 C ATOM 288 C GLU A 20 -5.816 2.753 8.377 1.00 0.00 C ATOM 289 O GLU A 20 -4.723 3.190 8.735 1.00 0.00 O ATOM 290 CB GLU A 20 -8.058 3.575 9.123 1.00 0.00 C ATOM 291 CG GLU A 20 -7.538 3.733 10.542 1.00 0.00 C ATOM 292 CD GLU A 20 -8.611 3.498 11.587 1.00 0.00 C ATOM 293 OE1 GLU A 20 -9.416 4.421 11.830 1.00 0.00 O ATOM 294 OE2 GLU A 20 -8.646 2.389 12.161 1.00 0.00 O ATOM 0 H GLU A 20 -8.526 3.240 6.725 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.590 4.719 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.822 4.330 8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.541 2.603 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.719 3.033 10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.130 4.736 10.666 1.00 0.00 H new ATOM 301 N ALA A 21 -6.068 1.454 8.248 1.00 0.00 N ATOM 302 CA ALA A 21 -5.051 0.447 8.525 1.00 0.00 C ATOM 303 C ALA A 21 -3.840 0.627 7.616 1.00 0.00 C ATOM 304 O ALA A 21 -2.709 0.750 8.089 1.00 0.00 O ATOM 305 CB ALA A 21 -5.633 -0.949 8.362 1.00 0.00 C ATOM 0 H ALA A 21 -6.968 1.075 7.953 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.721 0.573 9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.863 -1.691 8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.463 -1.081 9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.991 -1.077 7.341 1.00 0.00 H new ATOM 311 N LEU A 22 -4.083 0.640 6.310 1.00 0.00 N ATOM 312 CA LEU A 22 -3.011 0.804 5.334 1.00 0.00 C ATOM 313 C LEU A 22 -2.158 2.025 5.662 1.00 0.00 C ATOM 314 O LEU A 22 -0.931 1.977 5.579 1.00 0.00 O ATOM 315 CB LEU A 22 -3.593 0.937 3.926 1.00 0.00 C ATOM 316 CG LEU A 22 -4.383 -0.266 3.410 1.00 0.00 C ATOM 317 CD1 LEU A 22 -5.290 0.145 2.260 1.00 0.00 C ATOM 318 CD2 LEU A 22 -3.439 -1.378 2.976 1.00 0.00 C ATOM 0 H LEU A 22 -5.013 0.539 5.902 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.376 -0.081 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.245 1.810 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.775 1.133 3.233 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.006 -0.642 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.844 -0.724 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.990 0.907 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.686 0.547 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.019 -2.226 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.789 -1.014 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.832 -1.692 3.825 1.00 0.00 H new ATOM 330 N GLU A 23 -2.817 3.118 6.036 1.00 0.00 N ATOM 331 CA GLU A 23 -2.118 4.351 6.378 1.00 0.00 C ATOM 332 C GLU A 23 -1.363 4.201 7.696 1.00 0.00 C ATOM 333 O GLU A 23 -0.223 4.645 7.824 1.00 0.00 O ATOM 334 CB GLU A 23 -3.107 5.514 6.473 1.00 0.00 C ATOM 335 CG GLU A 23 -3.347 6.218 5.148 1.00 0.00 C ATOM 336 CD GLU A 23 -4.569 7.116 5.177 1.00 0.00 C ATOM 337 OE1 GLU A 23 -4.626 8.011 6.046 1.00 0.00 O ATOM 338 OE2 GLU A 23 -5.468 6.923 4.333 1.00 0.00 O ATOM 0 H GLU A 23 -3.833 3.174 6.110 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.397 4.561 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.058 5.141 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.735 6.238 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.470 6.813 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.467 5.473 4.362 1.00 0.00 H new ATOM 345 N ASN A 24 -2.010 3.574 8.673 1.00 0.00 N ATOM 346 CA ASN A 24 -1.402 3.367 9.982 1.00 0.00 C ATOM 347 C ASN A 24 -0.118 2.551 9.863 1.00 0.00 C ATOM 348 O ASN A 24 0.844 2.775 10.598 1.00 0.00 O ATOM 349 CB ASN A 24 -2.384 2.659 10.918 1.00 0.00 C ATOM 350 CG ASN A 24 -3.283 3.632 11.656 1.00 0.00 C ATOM 351 OD1 ASN A 24 -4.588 3.392 11.597 1.00 0.00 O flip ATOM 352 ND2 ASN A 24 -2.810 4.587 12.271 1.00 0.00 N flip ATOM 0 H ASN A 24 -2.955 3.201 8.583 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.154 4.344 10.398 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.998 1.968 10.341 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.827 2.063 11.641 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.801 4.732 12.289 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.427 5.233 12.763 1.00 0.00 H new ATOM 359 N LEU A 25 -0.110 1.604 8.931 1.00 0.00 N ATOM 360 CA LEU A 25 1.055 0.754 8.714 1.00 0.00 C ATOM 361 C LEU A 25 2.087 1.458 7.838 1.00 0.00 C ATOM 362 O LEU A 25 3.289 1.385 8.095 1.00 0.00 O ATOM 363 CB LEU A 25 0.635 -0.566 8.065 1.00 0.00 C ATOM 364 CG LEU A 25 1.768 -1.438 7.522 1.00 0.00 C ATOM 365 CD1 LEU A 25 2.628 -1.964 8.660 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.207 -2.589 6.699 1.00 0.00 C ATOM 0 H LEU A 25 -0.897 1.406 8.314 1.00 0.00 H new ATOM 0 HA LEU A 25 1.508 0.547 9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.076 -1.147 8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.050 -0.344 7.246 1.00 0.00 H new ATOM 0 HG LEU A 25 2.394 -0.825 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.429 -2.582 8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.058 -1.126 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.014 -2.561 9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.027 -3.199 6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.558 -3.201 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.634 -2.192 5.861 1.00 0.00 H new ATOM 378 N PHE A 26 1.609 2.142 6.803 1.00 0.00 N ATOM 379 CA PHE A 26 2.489 2.861 5.890 1.00 0.00 C ATOM 380 C PHE A 26 3.133 4.058 6.584 1.00 0.00 C ATOM 381 O PHE A 26 4.234 4.476 6.227 1.00 0.00 O ATOM 382 CB PHE A 26 1.710 3.330 4.659 1.00 0.00 C ATOM 383 CG PHE A 26 2.526 4.165 3.715 1.00 0.00 C ATOM 384 CD1 PHE A 26 2.709 5.518 3.947 1.00 0.00 C ATOM 385 CD2 PHE A 26 3.110 3.596 2.595 1.00 0.00 C ATOM 386 CE1 PHE A 26 3.460 6.290 3.080 1.00 0.00 C ATOM 387 CE2 PHE A 26 3.863 4.362 1.724 1.00 0.00 C ATOM 388 CZ PHE A 26 4.036 5.711 1.966 1.00 0.00 C ATOM 0 H PHE A 26 0.617 2.213 6.576 1.00 0.00 H new ATOM 0 HA PHE A 26 3.278 2.179 5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.331 2.459 4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.844 3.906 4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.260 5.976 4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.976 2.542 2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.596 7.344 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.315 3.906 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.621 6.312 1.285 1.00 0.00 H new ATOM 398 N GLN A 27 2.438 4.603 7.577 1.00 0.00 N ATOM 399 CA GLN A 27 2.941 5.752 8.320 1.00 0.00 C ATOM 400 C GLN A 27 4.080 5.344 9.249 1.00 0.00 C ATOM 401 O GLN A 27 5.176 5.899 9.182 1.00 0.00 O ATOM 402 CB GLN A 27 1.813 6.396 9.129 1.00 0.00 C ATOM 403 CG GLN A 27 0.913 7.301 8.304 1.00 0.00 C ATOM 404 CD GLN A 27 1.624 8.552 7.825 1.00 0.00 C ATOM 405 OE1 GLN A 27 1.801 9.507 8.581 1.00 0.00 O ATOM 406 NE2 GLN A 27 2.035 8.552 6.562 1.00 0.00 N ATOM 0 H GLN A 27 1.525 4.268 7.885 1.00 0.00 H new ATOM 0 HA GLN A 27 3.324 6.477 7.602 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.208 5.611 9.582 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.247 6.975 9.945 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.539 6.748 7.442 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.046 7.586 8.900 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.867 7.738 5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.519 9.366 6.183 1.00 0.00 H new ATOM 415 N GLU A 28 3.811 4.370 10.114 1.00 0.00 N ATOM 416 CA GLU A 28 4.815 3.889 11.056 1.00 0.00 C ATOM 417 C GLU A 28 6.029 3.331 10.320 1.00 0.00 C ATOM 418 O GLU A 28 7.171 3.555 10.723 1.00 0.00 O ATOM 419 CB GLU A 28 4.217 2.814 11.966 1.00 0.00 C ATOM 420 CG GLU A 28 3.686 1.606 11.213 1.00 0.00 C ATOM 421 CD GLU A 28 2.753 0.757 12.056 1.00 0.00 C ATOM 422 OE1 GLU A 28 2.097 1.316 12.959 1.00 0.00 O ATOM 423 OE2 GLU A 28 2.680 -0.465 11.812 1.00 0.00 O ATOM 0 H GLU A 28 2.908 3.900 10.182 1.00 0.00 H new ATOM 0 HA GLU A 28 5.139 4.733 11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.978 2.485 12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.407 3.253 12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.159 1.942 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.524 0.995 10.877 1.00 0.00 H new ATOM 430 N THR A 29 5.775 2.601 9.239 1.00 0.00 N ATOM 431 CA THR A 29 6.845 2.008 8.447 1.00 0.00 C ATOM 432 C THR A 29 6.499 2.014 6.963 1.00 0.00 C ATOM 433 O THR A 29 5.459 1.497 6.555 1.00 0.00 O ATOM 434 CB THR A 29 7.136 0.562 8.889 1.00 0.00 C ATOM 435 OG1 THR A 29 8.369 0.113 8.315 1.00 0.00 O ATOM 436 CG2 THR A 29 6.008 -0.369 8.472 1.00 0.00 C ATOM 0 H THR A 29 4.836 2.406 8.891 1.00 0.00 H new ATOM 0 HA THR A 29 7.734 2.616 8.612 1.00 0.00 H new ATOM 0 HB THR A 29 7.215 0.547 9.976 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.548 -0.807 8.602 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.236 -1.385 8.795 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.077 -0.042 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.902 -0.349 7.387 1.00 0.00 H new ATOM 444 N LYS A 30 7.378 2.602 6.157 1.00 0.00 N ATOM 445 CA LYS A 30 7.167 2.674 4.716 1.00 0.00 C ATOM 446 C LYS A 30 6.987 1.280 4.123 1.00 0.00 C ATOM 447 O LYS A 30 6.008 1.014 3.426 1.00 0.00 O ATOM 448 CB LYS A 30 8.347 3.378 4.042 1.00 0.00 C ATOM 449 CG LYS A 30 8.272 4.893 4.115 1.00 0.00 C ATOM 450 CD LYS A 30 7.549 5.357 5.368 1.00 0.00 C ATOM 451 CE LYS A 30 7.673 6.861 5.559 1.00 0.00 C ATOM 452 NZ LYS A 30 7.616 7.244 6.997 1.00 0.00 N ATOM 0 H LYS A 30 8.244 3.036 6.478 1.00 0.00 H new ATOM 0 HA LYS A 30 6.258 3.247 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.273 3.045 4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.391 3.075 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.279 5.309 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.756 5.275 3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.496 5.083 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.960 4.844 6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.613 7.205 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.871 7.363 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.704 8.277 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.708 6.938 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.396 6.785 7.510 1.00 0.00 H new ATOM 466 N TYR A 31 7.936 0.395 4.405 1.00 0.00 N ATOM 467 CA TYR A 31 7.882 -0.971 3.897 1.00 0.00 C ATOM 468 C TYR A 31 7.572 -1.957 5.020 1.00 0.00 C ATOM 469 O TYR A 31 8.435 -2.318 5.820 1.00 0.00 O ATOM 470 CB TYR A 31 9.207 -1.342 3.230 1.00 0.00 C ATOM 471 CG TYR A 31 9.385 -0.733 1.857 1.00 0.00 C ATOM 472 CD1 TYR A 31 9.335 0.643 1.674 1.00 0.00 C ATOM 473 CD2 TYR A 31 9.604 -1.535 0.743 1.00 0.00 C ATOM 474 CE1 TYR A 31 9.496 1.203 0.422 1.00 0.00 C ATOM 475 CE2 TYR A 31 9.768 -0.983 -0.513 1.00 0.00 C ATOM 476 CZ TYR A 31 9.712 0.387 -0.668 1.00 0.00 C ATOM 477 OH TYR A 31 9.874 0.941 -1.918 1.00 0.00 O ATOM 0 H TYR A 31 8.752 0.599 4.982 1.00 0.00 H new ATOM 0 HA TYR A 31 7.083 -1.026 3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.029 -1.021 3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.272 -2.427 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.167 1.286 2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.647 -2.608 0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.453 2.275 0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.939 -1.620 -1.368 1.00 0.00 H new ATOM 0 HH TYR A 31 10.018 0.229 -2.575 1.00 0.00 H new ATOM 487 N PRO A 32 6.309 -2.404 5.080 1.00 0.00 N ATOM 488 CA PRO A 32 5.854 -3.356 6.099 1.00 0.00 C ATOM 489 C PRO A 32 6.441 -4.748 5.895 1.00 0.00 C ATOM 490 O PRO A 32 6.800 -5.124 4.779 1.00 0.00 O ATOM 491 CB PRO A 32 4.336 -3.382 5.906 1.00 0.00 C ATOM 492 CG PRO A 32 4.127 -2.988 4.485 1.00 0.00 C ATOM 493 CD PRO A 32 5.228 -2.017 4.159 1.00 0.00 C ATOM 0 HA PRO A 32 6.165 -3.061 7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.929 -4.373 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.839 -2.690 6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.166 -3.858 3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.148 -2.529 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.539 -2.098 3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.914 -0.985 4.319 1.00 0.00 H new ATOM 501 N ASP A 33 6.536 -5.509 6.979 1.00 0.00 N ATOM 502 CA ASP A 33 7.079 -6.862 6.919 1.00 0.00 C ATOM 503 C ASP A 33 6.000 -7.862 6.516 1.00 0.00 C ATOM 504 O ASP A 33 4.807 -7.602 6.673 1.00 0.00 O ATOM 505 CB ASP A 33 7.678 -7.255 8.270 1.00 0.00 C ATOM 506 CG ASP A 33 6.710 -7.040 9.417 1.00 0.00 C ATOM 507 OD1 ASP A 33 5.935 -7.970 9.722 1.00 0.00 O ATOM 508 OD2 ASP A 33 6.726 -5.940 10.009 1.00 0.00 O ATOM 0 H ASP A 33 6.244 -5.213 7.910 1.00 0.00 H new ATOM 0 HA ASP A 33 7.865 -6.879 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.976 -8.303 8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.582 -6.672 8.447 1.00 0.00 H new ATOM 513 N VAL A 34 6.428 -9.008 5.995 1.00 0.00 N ATOM 514 CA VAL A 34 5.499 -10.048 5.570 1.00 0.00 C ATOM 515 C VAL A 34 4.530 -10.412 6.690 1.00 0.00 C ATOM 516 O VAL A 34 3.347 -10.649 6.449 1.00 0.00 O ATOM 517 CB VAL A 34 6.246 -11.318 5.120 1.00 0.00 C ATOM 518 CG1 VAL A 34 7.133 -11.841 6.239 1.00 0.00 C ATOM 519 CG2 VAL A 34 5.259 -12.384 4.668 1.00 0.00 C ATOM 0 H VAL A 34 7.412 -9.239 5.857 1.00 0.00 H new ATOM 0 HA VAL A 34 4.939 -9.646 4.726 1.00 0.00 H new ATOM 0 HB VAL A 34 6.883 -11.063 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.652 -12.738 5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.864 -11.079 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.520 -12.081 7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.804 -13.274 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.594 -12.638 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.671 -12.004 3.832 1.00 0.00 H new ATOM 529 N GLY A 35 5.041 -10.453 7.917 1.00 0.00 N ATOM 530 CA GLY A 35 4.208 -10.788 9.056 1.00 0.00 C ATOM 531 C GLY A 35 3.098 -9.779 9.280 1.00 0.00 C ATOM 532 O GLY A 35 1.974 -10.146 9.621 1.00 0.00 O ATOM 0 H GLY A 35 6.017 -10.260 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.772 -11.776 8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.828 -10.846 9.951 1.00 0.00 H new ATOM 536 N THR A 36 3.414 -8.502 9.088 1.00 0.00 N ATOM 537 CA THR A 36 2.437 -7.437 9.274 1.00 0.00 C ATOM 538 C THR A 36 1.444 -7.394 8.118 1.00 0.00 C ATOM 539 O THR A 36 0.243 -7.223 8.325 1.00 0.00 O ATOM 540 CB THR A 36 3.121 -6.062 9.399 1.00 0.00 C ATOM 541 OG1 THR A 36 4.164 -6.122 10.379 1.00 0.00 O ATOM 542 CG2 THR A 36 2.114 -4.990 9.788 1.00 0.00 C ATOM 0 H THR A 36 4.339 -8.181 8.804 1.00 0.00 H new ATOM 0 HA THR A 36 1.904 -7.655 10.200 1.00 0.00 H new ATOM 0 HB THR A 36 3.547 -5.803 8.430 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.954 -5.648 10.045 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.620 -4.028 9.870 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.337 -4.927 9.026 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.663 -5.246 10.747 1.00 0.00 H new ATOM 550 N ARG A 37 1.954 -7.550 6.900 1.00 0.00 N ATOM 551 CA ARG A 37 1.111 -7.529 5.711 1.00 0.00 C ATOM 552 C ARG A 37 0.095 -8.667 5.744 1.00 0.00 C ATOM 553 O ARG A 37 -1.104 -8.446 5.584 1.00 0.00 O ATOM 554 CB ARG A 37 1.970 -7.634 4.449 1.00 0.00 C ATOM 555 CG ARG A 37 2.802 -6.392 4.174 1.00 0.00 C ATOM 556 CD ARG A 37 3.309 -6.368 2.741 1.00 0.00 C ATOM 557 NE ARG A 37 4.322 -7.393 2.501 1.00 0.00 N ATOM 558 CZ ARG A 37 4.042 -8.611 2.052 1.00 0.00 C ATOM 559 NH1 ARG A 37 2.788 -8.955 1.795 1.00 0.00 N ATOM 560 NH2 ARG A 37 5.019 -9.489 1.859 1.00 0.00 N ATOM 0 H ARG A 37 2.946 -7.692 6.711 1.00 0.00 H new ATOM 0 HA ARG A 37 0.570 -6.583 5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.635 -8.493 4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.322 -7.824 3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.203 -5.502 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.648 -6.360 4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.473 -6.518 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.728 -5.386 2.521 1.00 0.00 H new ATOM 0 HE ARG A 37 5.297 -7.160 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.035 -8.283 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.576 -9.891 1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.985 -9.228 2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.803 -10.424 1.514 1.00 0.00 H new ATOM 574 N GLU A 38 0.586 -9.885 5.951 1.00 0.00 N ATOM 575 CA GLU A 38 -0.279 -11.058 6.003 1.00 0.00 C ATOM 576 C GLU A 38 -1.455 -10.825 6.948 1.00 0.00 C ATOM 577 O GLU A 38 -2.613 -10.988 6.564 1.00 0.00 O ATOM 578 CB GLU A 38 0.515 -12.286 6.454 1.00 0.00 C ATOM 579 CG GLU A 38 1.181 -13.033 5.311 1.00 0.00 C ATOM 580 CD GLU A 38 1.532 -14.463 5.674 1.00 0.00 C ATOM 581 OE1 GLU A 38 2.400 -14.655 6.551 1.00 0.00 O ATOM 582 OE2 GLU A 38 0.939 -15.389 5.082 1.00 0.00 O ATOM 0 H GLU A 38 1.577 -10.085 6.085 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.669 -11.234 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.278 -11.973 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.153 -12.967 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.517 -13.034 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.087 -12.504 5.016 1.00 0.00 H new ATOM 589 N GLN A 39 -1.148 -10.443 8.183 1.00 0.00 N ATOM 590 CA GLN A 39 -2.179 -10.189 9.182 1.00 0.00 C ATOM 591 C GLN A 39 -3.090 -9.047 8.746 1.00 0.00 C ATOM 592 O GLN A 39 -4.308 -9.209 8.657 1.00 0.00 O ATOM 593 CB GLN A 39 -1.540 -9.860 10.533 1.00 0.00 C ATOM 594 CG GLN A 39 -1.254 -11.086 11.385 1.00 0.00 C ATOM 595 CD GLN A 39 -2.519 -11.772 11.864 1.00 0.00 C ATOM 596 OE1 GLN A 39 -3.169 -12.496 11.109 1.00 0.00 O ATOM 597 NE2 GLN A 39 -2.874 -11.548 13.123 1.00 0.00 N ATOM 0 H GLN A 39 -0.194 -10.303 8.516 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.782 -11.092 9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.608 -9.320 10.363 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.200 -9.190 11.084 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.658 -11.793 10.809 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.655 -10.793 12.247 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.305 -10.941 13.713 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.716 -11.983 13.501 1.00 0.00 H new ATOM 606 N LEU A 40 -2.493 -7.891 8.476 1.00 0.00 N ATOM 607 CA LEU A 40 -3.251 -6.720 8.049 1.00 0.00 C ATOM 608 C LEU A 40 -4.292 -7.098 6.999 1.00 0.00 C ATOM 609 O LEU A 40 -5.450 -6.690 7.083 1.00 0.00 O ATOM 610 CB LEU A 40 -2.308 -5.654 7.488 1.00 0.00 C ATOM 611 CG LEU A 40 -2.946 -4.307 7.144 1.00 0.00 C ATOM 612 CD1 LEU A 40 -2.912 -3.378 8.348 1.00 0.00 C ATOM 613 CD2 LEU A 40 -2.239 -3.670 5.957 1.00 0.00 C ATOM 0 H LEU A 40 -1.487 -7.740 8.545 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.769 -6.316 8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.513 -5.482 8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.838 -6.051 6.588 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.987 -4.478 6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.370 -2.425 8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.463 -3.830 9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.878 -3.213 8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.706 -2.713 5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.189 -3.512 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.315 -4.329 5.092 1.00 0.00 H new ATOM 625 N ALA A 41 -3.871 -7.882 6.012 1.00 0.00 N ATOM 626 CA ALA A 41 -4.767 -8.318 4.948 1.00 0.00 C ATOM 627 C ALA A 41 -6.087 -8.826 5.517 1.00 0.00 C ATOM 628 O ALA A 41 -7.139 -8.222 5.304 1.00 0.00 O ATOM 629 CB ALA A 41 -4.102 -9.398 4.108 1.00 0.00 C ATOM 0 H ALA A 41 -2.915 -8.228 5.927 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.982 -7.459 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.782 -9.714 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.188 -9.003 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.858 -10.252 4.740 1.00 0.00 H new ATOM 635 N ARG A 42 -6.026 -9.940 6.240 1.00 0.00 N ATOM 636 CA ARG A 42 -7.218 -10.530 6.837 1.00 0.00 C ATOM 637 C ARG A 42 -7.946 -9.514 7.713 1.00 0.00 C ATOM 638 O ARG A 42 -9.174 -9.527 7.807 1.00 0.00 O ATOM 639 CB ARG A 42 -6.843 -11.759 7.667 1.00 0.00 C ATOM 640 CG ARG A 42 -6.792 -13.046 6.861 1.00 0.00 C ATOM 641 CD ARG A 42 -7.129 -14.255 7.719 1.00 0.00 C ATOM 642 NE ARG A 42 -7.092 -15.498 6.952 1.00 0.00 N ATOM 643 CZ ARG A 42 -7.746 -16.599 7.306 1.00 0.00 C ATOM 644 NH1 ARG A 42 -8.484 -16.611 8.407 1.00 0.00 N ATOM 645 NH2 ARG A 42 -7.662 -17.691 6.556 1.00 0.00 N ATOM 0 H ARG A 42 -5.164 -10.452 6.426 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.886 -10.834 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.870 -11.591 8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.565 -11.875 8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.493 -12.983 6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.797 -13.169 6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.424 -14.319 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.120 -14.126 8.153 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.534 -15.522 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.551 -15.773 8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.985 -17.458 8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.095 -17.685 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.164 -18.536 6.828 1.00 0.00 H new ATOM 659 N LYS A 43 -7.182 -8.636 8.352 1.00 0.00 N ATOM 660 CA LYS A 43 -7.753 -7.612 9.220 1.00 0.00 C ATOM 661 C LYS A 43 -8.600 -6.629 8.417 1.00 0.00 C ATOM 662 O LYS A 43 -9.678 -6.225 8.852 1.00 0.00 O ATOM 663 CB LYS A 43 -6.642 -6.861 9.957 1.00 0.00 C ATOM 664 CG LYS A 43 -7.125 -5.615 10.677 1.00 0.00 C ATOM 665 CD LYS A 43 -6.035 -4.559 10.758 1.00 0.00 C ATOM 666 CE LYS A 43 -5.198 -4.718 12.018 1.00 0.00 C ATOM 667 NZ LYS A 43 -4.446 -6.003 12.027 1.00 0.00 N ATOM 0 H LYS A 43 -6.164 -8.612 8.286 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.395 -8.106 9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.179 -7.532 10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.868 -6.581 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.991 -5.206 10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.453 -5.879 11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.392 -4.631 9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.486 -3.567 10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.497 -3.887 12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.846 -4.671 12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.614 -5.914 12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.061 -6.763 12.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.136 -6.231 11.061 1.00 0.00 H new ATOM 681 N VAL A 44 -8.105 -6.250 7.243 1.00 0.00 N ATOM 682 CA VAL A 44 -8.817 -5.316 6.379 1.00 0.00 C ATOM 683 C VAL A 44 -9.603 -6.055 5.302 1.00 0.00 C ATOM 684 O VAL A 44 -10.149 -5.441 4.385 1.00 0.00 O ATOM 685 CB VAL A 44 -7.850 -4.325 5.705 1.00 0.00 C ATOM 686 CG1 VAL A 44 -7.116 -3.500 6.751 1.00 0.00 C ATOM 687 CG2 VAL A 44 -6.866 -5.066 4.812 1.00 0.00 C ATOM 0 H VAL A 44 -7.214 -6.575 6.869 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.508 -4.762 7.014 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.430 -3.644 5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.437 -2.805 6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.838 -2.940 7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.546 -4.162 7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.190 -4.351 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.290 -5.771 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.412 -5.608 4.040 1.00 0.00 H new ATOM 697 N HIS A 45 -9.656 -7.379 5.418 1.00 0.00 N ATOM 698 CA HIS A 45 -10.376 -8.203 4.454 1.00 0.00 C ATOM 699 C HIS A 45 -9.842 -7.979 3.042 1.00 0.00 C ATOM 700 O HIS A 45 -10.611 -7.781 2.101 1.00 0.00 O ATOM 701 CB HIS A 45 -11.872 -7.890 4.501 1.00 0.00 C ATOM 702 CG HIS A 45 -12.566 -8.461 5.700 1.00 0.00 C ATOM 703 ND1 HIS A 45 -13.874 -8.897 5.676 1.00 0.00 N ATOM 704 CD2 HIS A 45 -12.125 -8.667 6.963 1.00 0.00 C ATOM 705 CE1 HIS A 45 -14.208 -9.345 6.873 1.00 0.00 C ATOM 706 NE2 HIS A 45 -13.164 -9.218 7.672 1.00 0.00 N ATOM 0 H HIS A 45 -9.209 -7.903 6.170 1.00 0.00 H new ATOM 0 HA HIS A 45 -10.222 -9.249 4.720 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.009 -6.809 4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.345 -8.278 3.599 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -11.140 -8.440 7.342 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -15.171 -9.747 7.151 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -13.134 -9.486 8.656 1.00 0.00 H new ATOM 715 N LEU A 46 -8.522 -8.013 2.903 1.00 0.00 N ATOM 716 CA LEU A 46 -7.884 -7.813 1.606 1.00 0.00 C ATOM 717 C LEU A 46 -6.781 -8.841 1.377 1.00 0.00 C ATOM 718 O LEU A 46 -6.469 -9.639 2.262 1.00 0.00 O ATOM 719 CB LEU A 46 -7.308 -6.400 1.511 1.00 0.00 C ATOM 720 CG LEU A 46 -8.306 -5.255 1.685 1.00 0.00 C ATOM 721 CD1 LEU A 46 -7.576 -3.929 1.840 1.00 0.00 C ATOM 722 CD2 LEU A 46 -9.268 -5.201 0.507 1.00 0.00 C ATOM 0 H LEU A 46 -7.872 -8.177 3.672 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.641 -7.942 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.530 -6.295 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.826 -6.290 0.540 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.883 -5.437 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.303 -3.126 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.929 -3.970 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.973 -3.740 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.971 -4.380 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.707 -5.044 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.816 -6.141 0.442 1.00 0.00 H new ATOM 734 N ARG A 47 -6.191 -8.815 0.187 1.00 0.00 N ATOM 735 CA ARG A 47 -5.122 -9.744 -0.157 1.00 0.00 C ATOM 736 C ARG A 47 -3.754 -9.105 0.066 1.00 0.00 C ATOM 737 O ARG A 47 -3.586 -7.899 -0.112 1.00 0.00 O ATOM 738 CB ARG A 47 -5.255 -10.192 -1.614 1.00 0.00 C ATOM 739 CG ARG A 47 -6.281 -11.294 -1.821 1.00 0.00 C ATOM 740 CD ARG A 47 -6.236 -11.838 -3.240 1.00 0.00 C ATOM 741 NE ARG A 47 -7.065 -11.056 -4.153 1.00 0.00 N ATOM 742 CZ ARG A 47 -8.383 -11.196 -4.251 1.00 0.00 C ATOM 743 NH1 ARG A 47 -9.017 -12.082 -3.496 1.00 0.00 N ATOM 744 NH2 ARG A 47 -9.068 -10.447 -5.106 1.00 0.00 N ATOM 0 H ARG A 47 -6.435 -8.160 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.209 -10.615 0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.529 -9.333 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.285 -10.539 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.095 -12.103 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.278 -10.908 -1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.206 -11.838 -3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.573 -12.874 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.608 -10.365 -4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.493 -12.659 -2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.029 -12.187 -3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.583 -9.764 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.080 -10.554 -5.181 1.00 0.00 H new ATOM 758 N GLU A 48 -2.782 -9.922 0.458 1.00 0.00 N ATOM 759 CA GLU A 48 -1.430 -9.436 0.707 1.00 0.00 C ATOM 760 C GLU A 48 -0.930 -8.594 -0.464 1.00 0.00 C ATOM 761 O GLU A 48 -0.460 -7.472 -0.278 1.00 0.00 O ATOM 762 CB GLU A 48 -0.478 -10.609 0.948 1.00 0.00 C ATOM 763 CG GLU A 48 -0.649 -11.261 2.310 1.00 0.00 C ATOM 764 CD GLU A 48 -1.763 -12.290 2.329 1.00 0.00 C ATOM 765 OE1 GLU A 48 -1.707 -13.241 1.521 1.00 0.00 O ATOM 766 OE2 GLU A 48 -2.691 -12.143 3.152 1.00 0.00 O ATOM 0 H GLU A 48 -2.905 -10.923 0.610 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.456 -8.809 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.636 -11.359 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.549 -10.259 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.287 -11.739 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.858 -10.492 3.053 1.00 0.00 H new ATOM 773 N GLU A 49 -1.036 -9.145 -1.669 1.00 0.00 N ATOM 774 CA GLU A 49 -0.594 -8.445 -2.870 1.00 0.00 C ATOM 775 C GLU A 49 -1.194 -7.044 -2.935 1.00 0.00 C ATOM 776 O GLU A 49 -0.491 -6.066 -3.193 1.00 0.00 O ATOM 777 CB GLU A 49 -0.981 -9.237 -4.120 1.00 0.00 C ATOM 778 CG GLU A 49 -2.471 -9.518 -4.225 1.00 0.00 C ATOM 779 CD GLU A 49 -2.835 -10.270 -5.490 1.00 0.00 C ATOM 780 OE1 GLU A 49 -1.998 -11.062 -5.971 1.00 0.00 O ATOM 781 OE2 GLU A 49 -3.957 -10.066 -6.001 1.00 0.00 O ATOM 0 H GLU A 49 -1.424 -10.073 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 49 0.491 -8.354 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.661 -8.685 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.440 -10.183 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.790 -10.097 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.018 -8.575 -4.197 1.00 0.00 H new ATOM 788 N LYS A 50 -2.498 -6.954 -2.699 1.00 0.00 N ATOM 789 CA LYS A 50 -3.195 -5.674 -2.730 1.00 0.00 C ATOM 790 C LYS A 50 -2.615 -4.713 -1.697 1.00 0.00 C ATOM 791 O LYS A 50 -2.395 -3.536 -1.983 1.00 0.00 O ATOM 792 CB LYS A 50 -4.690 -5.877 -2.470 1.00 0.00 C ATOM 793 CG LYS A 50 -5.411 -6.593 -3.598 1.00 0.00 C ATOM 794 CD LYS A 50 -5.941 -5.614 -4.632 1.00 0.00 C ATOM 795 CE LYS A 50 -6.475 -6.335 -5.861 1.00 0.00 C ATOM 796 NZ LYS A 50 -6.539 -5.437 -7.047 1.00 0.00 N ATOM 0 H LYS A 50 -3.094 -7.753 -2.484 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.060 -5.240 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.816 -6.447 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.158 -4.906 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.730 -7.297 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.237 -7.176 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.734 -5.010 -4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.146 -4.929 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.837 -7.189 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.470 -6.727 -5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.908 -5.966 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.168 -4.635 -6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.586 -5.083 -7.266 1.00 0.00 H new ATOM 810 N VAL A 51 -2.367 -5.223 -0.495 1.00 0.00 N ATOM 811 CA VAL A 51 -1.809 -4.411 0.580 1.00 0.00 C ATOM 812 C VAL A 51 -0.569 -3.658 0.113 1.00 0.00 C ATOM 813 O VAL A 51 -0.428 -2.461 0.363 1.00 0.00 O ATOM 814 CB VAL A 51 -1.443 -5.273 1.803 1.00 0.00 C ATOM 815 CG1 VAL A 51 -0.829 -4.414 2.898 1.00 0.00 C ATOM 816 CG2 VAL A 51 -2.667 -6.014 2.319 1.00 0.00 C ATOM 0 H VAL A 51 -2.544 -6.195 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.579 -3.695 0.867 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.703 -6.012 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.577 -5.040 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.074 -3.935 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.544 -3.651 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.389 -6.618 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.432 -5.294 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.058 -6.662 1.534 1.00 0.00 H new ATOM 826 N GLU A 52 0.326 -4.367 -0.567 1.00 0.00 N ATOM 827 CA GLU A 52 1.555 -3.764 -1.069 1.00 0.00 C ATOM 828 C GLU A 52 1.251 -2.712 -2.132 1.00 0.00 C ATOM 829 O GLU A 52 1.826 -1.623 -2.127 1.00 0.00 O ATOM 830 CB GLU A 52 2.477 -4.838 -1.649 1.00 0.00 C ATOM 831 CG GLU A 52 3.736 -4.279 -2.290 1.00 0.00 C ATOM 832 CD GLU A 52 4.500 -5.322 -3.082 1.00 0.00 C ATOM 833 OE1 GLU A 52 3.906 -5.915 -4.007 1.00 0.00 O ATOM 834 OE2 GLU A 52 5.690 -5.546 -2.778 1.00 0.00 O ATOM 0 H GLU A 52 0.223 -5.359 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 52 2.057 -3.277 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.760 -5.529 -0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.926 -5.415 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.468 -3.453 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.384 -3.871 -1.514 1.00 0.00 H new ATOM 841 N VAL A 53 0.342 -3.045 -3.043 1.00 0.00 N ATOM 842 CA VAL A 53 -0.041 -2.130 -4.111 1.00 0.00 C ATOM 843 C VAL A 53 -0.295 -0.728 -3.570 1.00 0.00 C ATOM 844 O VAL A 53 0.376 0.229 -3.958 1.00 0.00 O ATOM 845 CB VAL A 53 -1.302 -2.622 -4.846 1.00 0.00 C ATOM 846 CG1 VAL A 53 -1.727 -1.618 -5.907 1.00 0.00 C ATOM 847 CG2 VAL A 53 -1.060 -3.991 -5.463 1.00 0.00 C ATOM 0 H VAL A 53 -0.143 -3.942 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 53 0.791 -2.099 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.111 -2.714 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.619 -1.982 -6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.944 -0.660 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.922 -1.492 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.962 -4.323 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.237 -3.929 -6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.807 -4.704 -4.678 1.00 0.00 H new ATOM 857 N TRP A 54 -1.267 -0.614 -2.672 1.00 0.00 N ATOM 858 CA TRP A 54 -1.609 0.673 -2.077 1.00 0.00 C ATOM 859 C TRP A 54 -0.357 1.408 -1.612 1.00 0.00 C ATOM 860 O TRP A 54 -0.152 2.575 -1.945 1.00 0.00 O ATOM 861 CB TRP A 54 -2.566 0.474 -0.900 1.00 0.00 C ATOM 862 CG TRP A 54 -3.089 1.761 -0.336 1.00 0.00 C ATOM 863 CD1 TRP A 54 -4.196 2.445 -0.748 1.00 0.00 C ATOM 864 CD2 TRP A 54 -2.525 2.517 0.741 1.00 0.00 C ATOM 865 NE1 TRP A 54 -4.355 3.582 0.008 1.00 0.00 N ATOM 866 CE2 TRP A 54 -3.343 3.648 0.929 1.00 0.00 C ATOM 867 CE3 TRP A 54 -1.410 2.348 1.566 1.00 0.00 C ATOM 868 CZ2 TRP A 54 -3.078 4.604 1.906 1.00 0.00 C ATOM 869 CZ3 TRP A 54 -1.148 3.297 2.535 1.00 0.00 C ATOM 870 CH2 TRP A 54 -1.980 4.413 2.700 1.00 0.00 C ATOM 0 H TRP A 54 -1.832 -1.396 -2.340 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.101 1.279 -2.838 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.406 -0.141 -1.224 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.052 -0.078 -0.112 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.851 2.138 -1.550 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.105 4.265 -0.099 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.764 1.490 1.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.716 5.466 2.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.287 3.177 3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.750 5.136 3.469 1.00 0.00 H new ATOM 881 N PHE A 55 0.477 0.718 -0.841 1.00 0.00 N ATOM 882 CA PHE A 55 1.710 1.307 -0.330 1.00 0.00 C ATOM 883 C PHE A 55 2.543 1.896 -1.465 1.00 0.00 C ATOM 884 O PHE A 55 2.952 3.056 -1.414 1.00 0.00 O ATOM 885 CB PHE A 55 2.526 0.258 0.426 1.00 0.00 C ATOM 886 CG PHE A 55 2.079 0.058 1.846 1.00 0.00 C ATOM 887 CD1 PHE A 55 0.760 -0.256 2.133 1.00 0.00 C ATOM 888 CD2 PHE A 55 2.976 0.186 2.893 1.00 0.00 C ATOM 889 CE1 PHE A 55 0.345 -0.440 3.438 1.00 0.00 C ATOM 890 CE2 PHE A 55 2.567 0.002 4.201 1.00 0.00 C ATOM 891 CZ PHE A 55 1.249 -0.310 4.473 1.00 0.00 C ATOM 0 H PHE A 55 0.322 -0.249 -0.556 1.00 0.00 H new ATOM 0 HA PHE A 55 1.442 2.111 0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.461 -0.692 -0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.575 0.554 0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.048 -0.358 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.007 0.432 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.686 -0.685 3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.277 0.102 5.009 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.926 -0.452 5.494 1.00 0.00 H new ATOM 901 N LYS A 56 2.791 1.086 -2.489 1.00 0.00 N ATOM 902 CA LYS A 56 3.575 1.524 -3.639 1.00 0.00 C ATOM 903 C LYS A 56 3.055 2.853 -4.177 1.00 0.00 C ATOM 904 O LYS A 56 3.830 3.769 -4.449 1.00 0.00 O ATOM 905 CB LYS A 56 3.536 0.465 -4.742 1.00 0.00 C ATOM 906 CG LYS A 56 4.395 -0.753 -4.447 1.00 0.00 C ATOM 907 CD LYS A 56 3.839 -2.002 -5.110 1.00 0.00 C ATOM 908 CE LYS A 56 4.109 -2.005 -6.607 1.00 0.00 C ATOM 909 NZ LYS A 56 3.056 -1.271 -7.362 1.00 0.00 N ATOM 0 H LYS A 56 2.461 0.123 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 56 4.606 1.662 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.505 0.145 -4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.867 0.915 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.412 -0.576 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.452 -0.907 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.287 -2.886 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.765 -2.062 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.080 -1.549 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.162 -3.033 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.992 -1.651 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.140 -1.388 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.299 -0.261 -7.403 1.00 0.00 H new ATOM 923 N ASN A 57 1.738 2.951 -4.327 1.00 0.00 N ATOM 924 CA ASN A 57 1.115 4.169 -4.832 1.00 0.00 C ATOM 925 C ASN A 57 1.481 5.369 -3.963 1.00 0.00 C ATOM 926 O ASN A 57 1.787 6.447 -4.472 1.00 0.00 O ATOM 927 CB ASN A 57 -0.406 4.007 -4.881 1.00 0.00 C ATOM 928 CG ASN A 57 -0.858 3.151 -6.048 1.00 0.00 C ATOM 929 OD1 ASN A 57 -0.119 2.956 -7.013 1.00 0.00 O ATOM 930 ND2 ASN A 57 -2.079 2.635 -5.965 1.00 0.00 N ATOM 0 H ASN A 57 1.082 2.202 -4.106 1.00 0.00 H new ATOM 0 HA ASN A 57 1.488 4.346 -5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.751 3.558 -3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.871 4.990 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.438 2.051 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.657 2.823 -5.146 1.00 0.00 H new ATOM 937 N ARG A 58 1.449 5.172 -2.649 1.00 0.00 N ATOM 938 CA ARG A 58 1.777 6.237 -1.709 1.00 0.00 C ATOM 939 C ARG A 58 3.262 6.581 -1.773 1.00 0.00 C ATOM 940 O ARG A 58 3.634 7.715 -2.074 1.00 0.00 O ATOM 941 CB ARG A 58 1.399 5.824 -0.285 1.00 0.00 C ATOM 942 CG ARG A 58 -0.018 6.209 0.106 1.00 0.00 C ATOM 943 CD ARG A 58 -1.049 5.415 -0.681 1.00 0.00 C ATOM 944 NE ARG A 58 -1.328 6.018 -1.981 1.00 0.00 N ATOM 945 CZ ARG A 58 -2.078 7.103 -2.142 1.00 0.00 C ATOM 946 NH1 ARG A 58 -2.620 7.700 -1.090 1.00 0.00 N ATOM 947 NH2 ARG A 58 -2.287 7.593 -3.358 1.00 0.00 N ATOM 0 H ARG A 58 1.199 4.285 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 58 1.205 7.122 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.513 4.744 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.097 6.283 0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.162 6.037 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.168 7.275 -0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.690 4.396 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.973 5.350 -0.106 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.925 5.583 -2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.462 7.327 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.195 8.533 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.872 7.137 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.863 8.426 -3.480 1.00 0.00 H new