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 Single : A 15 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 18 GLN : amide:sc= -2.8 K(o=-2.8,f=-8.2!) USER MOD Single : A 24 ASN : amide:sc= -0.608 K(o=-0.61,f=-1.6!) USER MOD Single : A 27 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.043) 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= -0.0244 K(o=-0.024,f=-0.68) 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=-0.0094) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.0765 (180deg=-0.489) USER MOD Single : A 57 ASN : amide:sc= -0.0935 K(o=-0.094,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 189 N PHE A 14 -10.980 1.934 -1.698 1.00 0.00 N ATOM 190 CA PHE A 14 -10.979 1.201 -0.437 1.00 0.00 C ATOM 191 C PHE A 14 -11.854 1.901 0.599 1.00 0.00 C ATOM 192 O PHE A 14 -12.124 3.098 0.494 1.00 0.00 O ATOM 193 CB PHE A 14 -9.552 1.060 0.095 1.00 0.00 C ATOM 194 CG PHE A 14 -8.593 0.484 -0.908 1.00 0.00 C ATOM 195 CD1 PHE A 14 -8.693 -0.841 -1.301 1.00 0.00 C ATOM 196 CD2 PHE A 14 -7.590 1.268 -1.456 1.00 0.00 C ATOM 197 CE1 PHE A 14 -7.812 -1.373 -2.223 1.00 0.00 C ATOM 198 CE2 PHE A 14 -6.707 0.741 -2.379 1.00 0.00 C ATOM 199 CZ PHE A 14 -6.817 -0.582 -2.762 1.00 0.00 C ATOM 0 HA PHE A 14 -11.389 0.208 -0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.192 2.039 0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.564 0.425 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.468 -1.465 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.498 2.302 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.902 -2.407 -2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.931 1.363 -2.801 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.126 -0.996 -3.481 1.00 0.00 H new ATOM 209 N THR A 15 -12.294 1.146 1.601 1.00 0.00 N ATOM 210 CA THR A 15 -13.139 1.691 2.655 1.00 0.00 C ATOM 211 C THR A 15 -12.314 2.476 3.669 1.00 0.00 C ATOM 212 O THR A 15 -11.086 2.389 3.686 1.00 0.00 O ATOM 213 CB THR A 15 -13.911 0.579 3.389 1.00 0.00 C ATOM 214 OG1 THR A 15 -13.001 -0.427 3.849 1.00 0.00 O ATOM 215 CG2 THR A 15 -14.951 -0.051 2.475 1.00 0.00 C ATOM 0 H THR A 15 -12.078 0.154 1.704 1.00 0.00 H new ATOM 0 HA THR A 15 -13.852 2.360 2.174 1.00 0.00 H new ATOM 0 HB THR A 15 -14.422 1.024 4.243 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.499 -1.130 4.316 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.484 -0.834 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.659 0.711 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.457 -0.483 1.605 1.00 0.00 H new ATOM 223 N ASP A 16 -12.996 3.241 4.514 1.00 0.00 N ATOM 224 CA ASP A 16 -12.327 4.040 5.534 1.00 0.00 C ATOM 225 C ASP A 16 -11.423 3.169 6.401 1.00 0.00 C ATOM 226 O ASP A 16 -10.261 3.501 6.632 1.00 0.00 O ATOM 227 CB ASP A 16 -13.356 4.757 6.408 1.00 0.00 C ATOM 228 CG ASP A 16 -13.951 5.972 5.724 1.00 0.00 C ATOM 229 OD1 ASP A 16 -13.178 6.773 5.157 1.00 0.00 O ATOM 230 OD2 ASP A 16 -15.190 6.122 5.754 1.00 0.00 O ATOM 0 H ASP A 16 -14.013 3.325 4.513 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.710 4.784 5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.155 4.062 6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.885 5.064 7.342 1.00 0.00 H new ATOM 235 N GLU A 17 -11.967 2.053 6.878 1.00 0.00 N ATOM 236 CA GLU A 17 -11.209 1.136 7.721 1.00 0.00 C ATOM 237 C GLU A 17 -9.934 0.679 7.019 1.00 0.00 C ATOM 238 O GLU A 17 -8.836 0.811 7.560 1.00 0.00 O ATOM 239 CB GLU A 17 -12.065 -0.079 8.088 1.00 0.00 C ATOM 240 CG GLU A 17 -11.401 -1.011 9.087 1.00 0.00 C ATOM 241 CD GLU A 17 -12.405 -1.816 9.890 1.00 0.00 C ATOM 242 OE1 GLU A 17 -13.050 -2.711 9.306 1.00 0.00 O ATOM 243 OE2 GLU A 17 -12.545 -1.550 11.102 1.00 0.00 O ATOM 0 H GLU A 17 -12.928 1.763 6.695 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.931 1.666 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.013 0.266 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.296 -0.637 7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.736 -1.692 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.782 -0.427 9.768 1.00 0.00 H new ATOM 250 N GLN A 18 -10.088 0.142 5.814 1.00 0.00 N ATOM 251 CA GLN A 18 -8.949 -0.335 5.039 1.00 0.00 C ATOM 252 C GLN A 18 -7.877 0.744 4.927 1.00 0.00 C ATOM 253 O GLN A 18 -6.706 0.504 5.225 1.00 0.00 O ATOM 254 CB GLN A 18 -9.400 -0.769 3.643 1.00 0.00 C ATOM 255 CG GLN A 18 -10.334 -1.969 3.652 1.00 0.00 C ATOM 256 CD GLN A 18 -10.901 -2.276 2.280 1.00 0.00 C ATOM 257 OE1 GLN A 18 -10.680 -1.534 1.323 1.00 0.00 O ATOM 258 NE2 GLN A 18 -11.639 -3.375 2.177 1.00 0.00 N ATOM 0 H GLN A 18 -10.990 0.026 5.353 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.523 -1.193 5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.901 0.067 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.521 -1.007 3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.795 -2.841 4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.153 -1.782 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.797 -3.962 2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.048 -3.632 1.279 1.00 0.00 H new ATOM 267 N LEU A 19 -8.283 1.932 4.494 1.00 0.00 N ATOM 268 CA LEU A 19 -7.357 3.049 4.342 1.00 0.00 C ATOM 269 C LEU A 19 -6.715 3.410 5.677 1.00 0.00 C ATOM 270 O LEU A 19 -5.515 3.675 5.748 1.00 0.00 O ATOM 271 CB LEU A 19 -8.085 4.266 3.768 1.00 0.00 C ATOM 272 CG LEU A 19 -8.409 4.211 2.275 1.00 0.00 C ATOM 273 CD1 LEU A 19 -9.284 5.390 1.875 1.00 0.00 C ATOM 274 CD2 LEU A 19 -7.130 4.190 1.451 1.00 0.00 C ATOM 0 H LEU A 19 -9.248 2.147 4.242 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.570 2.745 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.017 4.399 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.476 5.150 3.955 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.960 3.292 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.504 5.334 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.215 5.360 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.760 6.321 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.381 4.151 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.552 5.091 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.540 3.313 1.717 1.00 0.00 H new ATOM 286 N GLU A 20 -7.521 3.415 6.734 1.00 0.00 N ATOM 287 CA GLU A 20 -7.030 3.742 8.068 1.00 0.00 C ATOM 288 C GLU A 20 -5.918 2.785 8.487 1.00 0.00 C ATOM 289 O GLU A 20 -4.872 3.210 8.977 1.00 0.00 O ATOM 290 CB GLU A 20 -8.173 3.689 9.083 1.00 0.00 C ATOM 291 CG GLU A 20 -7.713 3.820 10.525 1.00 0.00 C ATOM 292 CD GLU A 20 -8.868 3.986 11.494 1.00 0.00 C ATOM 293 OE1 GLU A 20 -9.758 4.818 11.220 1.00 0.00 O ATOM 294 OE2 GLU A 20 -8.881 3.284 12.526 1.00 0.00 O ATOM 0 H GLU A 20 -8.516 3.196 6.693 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.625 4.753 8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.881 4.488 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.709 2.747 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.137 2.936 10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.044 4.676 10.613 1.00 0.00 H new ATOM 301 N ALA A 21 -6.153 1.492 8.291 1.00 0.00 N ATOM 302 CA ALA A 21 -5.171 0.475 8.647 1.00 0.00 C ATOM 303 C ALA A 21 -3.924 0.587 7.777 1.00 0.00 C ATOM 304 O ALA A 21 -2.801 0.611 8.284 1.00 0.00 O ATOM 305 CB ALA A 21 -5.781 -0.914 8.522 1.00 0.00 C ATOM 0 H ALA A 21 -7.015 1.124 7.888 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.875 0.638 9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.037 -1.664 8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.638 -0.997 9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.106 -1.078 7.495 1.00 0.00 H new ATOM 311 N LEU A 22 -4.127 0.655 6.466 1.00 0.00 N ATOM 312 CA LEU A 22 -3.018 0.764 5.525 1.00 0.00 C ATOM 313 C LEU A 22 -2.165 1.992 5.828 1.00 0.00 C ATOM 314 O LEU A 22 -0.948 1.892 5.980 1.00 0.00 O ATOM 315 CB LEU A 22 -3.545 0.837 4.091 1.00 0.00 C ATOM 316 CG LEU A 22 -4.328 -0.382 3.601 1.00 0.00 C ATOM 317 CD1 LEU A 22 -5.306 0.015 2.507 1.00 0.00 C ATOM 318 CD2 LEU A 22 -3.377 -1.461 3.103 1.00 0.00 C ATOM 0 H LEU A 22 -5.049 0.637 6.031 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.395 -0.124 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.186 1.714 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.699 0.994 3.422 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.897 -0.785 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.854 -0.866 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.008 0.752 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.759 0.444 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.951 -2.321 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.781 -1.069 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.717 -1.767 3.915 1.00 0.00 H new ATOM 330 N GLU A 23 -2.814 3.149 5.916 1.00 0.00 N ATOM 331 CA GLU A 23 -2.114 4.396 6.202 1.00 0.00 C ATOM 332 C GLU A 23 -1.419 4.331 7.559 1.00 0.00 C ATOM 333 O GLU A 23 -0.275 4.761 7.703 1.00 0.00 O ATOM 334 CB GLU A 23 -3.092 5.573 6.175 1.00 0.00 C ATOM 335 CG GLU A 23 -3.265 6.188 4.796 1.00 0.00 C ATOM 336 CD GLU A 23 -4.584 6.921 4.646 1.00 0.00 C ATOM 337 OE1 GLU A 23 -5.628 6.246 4.526 1.00 0.00 O ATOM 338 OE2 GLU A 23 -4.572 8.170 4.648 1.00 0.00 O ATOM 0 H GLU A 23 -3.822 3.249 5.794 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.357 4.543 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.063 5.236 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.743 6.341 6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.445 6.880 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.202 5.404 4.042 1.00 0.00 H new ATOM 345 N ASN A 24 -2.118 3.789 8.550 1.00 0.00 N ATOM 346 CA ASN A 24 -1.569 3.668 9.896 1.00 0.00 C ATOM 347 C ASN A 24 -0.269 2.869 9.883 1.00 0.00 C ATOM 348 O ASN A 24 0.676 3.188 10.606 1.00 0.00 O ATOM 349 CB ASN A 24 -2.583 2.997 10.825 1.00 0.00 C ATOM 350 CG ASN A 24 -3.503 3.999 11.496 1.00 0.00 C ATOM 351 OD1 ASN A 24 -3.099 5.121 11.801 1.00 0.00 O ATOM 352 ND2 ASN A 24 -4.746 3.596 11.731 1.00 0.00 N ATOM 0 H ASN A 24 -3.066 3.426 8.447 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.356 4.671 10.266 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.180 2.286 10.254 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.052 2.428 11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.410 4.226 12.182 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.037 2.657 11.461 1.00 0.00 H new ATOM 359 N LEU A 25 -0.228 1.830 9.056 1.00 0.00 N ATOM 360 CA LEU A 25 0.957 0.985 8.948 1.00 0.00 C ATOM 361 C LEU A 25 2.034 1.664 8.109 1.00 0.00 C ATOM 362 O LEU A 25 3.167 1.839 8.558 1.00 0.00 O ATOM 363 CB LEU A 25 0.589 -0.365 8.331 1.00 0.00 C ATOM 364 CG LEU A 25 1.758 -1.297 8.010 1.00 0.00 C ATOM 365 CD1 LEU A 25 2.333 -1.892 9.286 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.316 -2.399 7.058 1.00 0.00 C ATOM 0 H LEU A 25 -1.001 1.552 8.451 1.00 0.00 H new ATOM 0 HA LEU A 25 1.352 0.824 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.085 -0.882 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.033 -0.182 7.411 1.00 0.00 H new ATOM 0 HG LEU A 25 2.539 -0.714 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.164 -2.552 9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.688 -1.090 9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.560 -2.460 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.161 -3.053 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.517 -2.980 7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.953 -1.955 6.131 1.00 0.00 H new ATOM 378 N PHE A 26 1.673 2.046 6.888 1.00 0.00 N ATOM 379 CA PHE A 26 2.609 2.708 5.986 1.00 0.00 C ATOM 380 C PHE A 26 3.244 3.923 6.656 1.00 0.00 C ATOM 381 O PHE A 26 4.440 4.172 6.507 1.00 0.00 O ATOM 382 CB PHE A 26 1.897 3.133 4.700 1.00 0.00 C ATOM 383 CG PHE A 26 2.790 3.855 3.732 1.00 0.00 C ATOM 384 CD1 PHE A 26 3.297 5.108 4.038 1.00 0.00 C ATOM 385 CD2 PHE A 26 3.120 3.282 2.515 1.00 0.00 C ATOM 386 CE1 PHE A 26 4.119 5.775 3.149 1.00 0.00 C ATOM 387 CE2 PHE A 26 3.942 3.944 1.622 1.00 0.00 C ATOM 388 CZ PHE A 26 4.441 5.192 1.939 1.00 0.00 C ATOM 0 H PHE A 26 0.739 1.909 6.501 1.00 0.00 H new ATOM 0 HA PHE A 26 3.399 1.999 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.485 2.249 4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.056 3.777 4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.047 5.569 4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.731 2.307 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.509 6.750 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.194 3.485 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.082 5.711 1.242 1.00 0.00 H new ATOM 398 N GLN A 27 2.433 4.676 7.392 1.00 0.00 N ATOM 399 CA GLN A 27 2.914 5.866 8.084 1.00 0.00 C ATOM 400 C GLN A 27 4.039 5.515 9.052 1.00 0.00 C ATOM 401 O GLN A 27 5.132 6.075 8.977 1.00 0.00 O ATOM 402 CB GLN A 27 1.768 6.542 8.838 1.00 0.00 C ATOM 403 CG GLN A 27 0.916 7.448 7.965 1.00 0.00 C ATOM 404 CD GLN A 27 1.590 8.774 7.668 1.00 0.00 C ATOM 405 OE1 GLN A 27 1.925 9.531 8.579 1.00 0.00 O ATOM 406 NE2 GLN A 27 1.791 9.062 6.387 1.00 0.00 N ATOM 0 H GLN A 27 1.440 4.483 7.524 1.00 0.00 H new ATOM 0 HA GLN A 27 3.305 6.557 7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.132 5.775 9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.180 7.127 9.660 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.695 6.939 7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.037 7.632 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.497 8.405 5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.239 9.940 6.126 1.00 0.00 H new ATOM 415 N GLU A 28 3.763 4.585 9.961 1.00 0.00 N ATOM 416 CA GLU A 28 4.752 4.161 10.945 1.00 0.00 C ATOM 417 C GLU A 28 5.963 3.530 10.262 1.00 0.00 C ATOM 418 O GLU A 28 7.106 3.773 10.651 1.00 0.00 O ATOM 419 CB GLU A 28 4.132 3.167 11.929 1.00 0.00 C ATOM 420 CG GLU A 28 3.598 1.908 11.267 1.00 0.00 C ATOM 421 CD GLU A 28 3.258 0.822 12.269 1.00 0.00 C ATOM 422 OE1 GLU A 28 2.176 0.904 12.887 1.00 0.00 O ATOM 423 OE2 GLU A 28 4.073 -0.110 12.435 1.00 0.00 O ATOM 0 H GLU A 28 2.863 4.111 10.036 1.00 0.00 H new ATOM 0 HA GLU A 28 5.084 5.043 11.492 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.881 2.888 12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.320 3.658 12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.708 2.156 10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.340 1.529 10.564 1.00 0.00 H new ATOM 430 N THR A 29 5.703 2.719 9.242 1.00 0.00 N ATOM 431 CA THR A 29 6.769 2.051 8.506 1.00 0.00 C ATOM 432 C THR A 29 6.539 2.142 7.002 1.00 0.00 C ATOM 433 O THR A 29 5.448 1.851 6.511 1.00 0.00 O ATOM 434 CB THR A 29 6.886 0.569 8.907 1.00 0.00 C ATOM 435 OG1 THR A 29 8.084 0.006 8.360 1.00 0.00 O ATOM 436 CG2 THR A 29 5.681 -0.221 8.420 1.00 0.00 C ATOM 0 H THR A 29 4.763 2.509 8.907 1.00 0.00 H new ATOM 0 HA THR A 29 7.697 2.563 8.761 1.00 0.00 H new ATOM 0 HB THR A 29 6.922 0.512 9.995 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.152 -0.936 8.621 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.787 -1.265 8.715 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.773 0.191 8.861 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.618 -0.156 7.334 1.00 0.00 H new ATOM 444 N LYS A 30 7.574 2.546 6.273 1.00 0.00 N ATOM 445 CA LYS A 30 7.486 2.674 4.823 1.00 0.00 C ATOM 446 C LYS A 30 7.345 1.305 4.164 1.00 0.00 C ATOM 447 O LYS A 30 6.514 1.116 3.275 1.00 0.00 O ATOM 448 CB LYS A 30 8.724 3.389 4.277 1.00 0.00 C ATOM 449 CG LYS A 30 8.830 4.840 4.714 1.00 0.00 C ATOM 450 CD LYS A 30 9.571 5.679 3.687 1.00 0.00 C ATOM 451 CE LYS A 30 9.667 7.134 4.120 1.00 0.00 C ATOM 452 NZ LYS A 30 10.728 7.339 5.144 1.00 0.00 N ATOM 0 H LYS A 30 8.484 2.791 6.663 1.00 0.00 H new ATOM 0 HA LYS A 30 6.600 3.264 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.616 2.854 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.707 3.346 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.831 5.249 4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.347 4.896 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.573 5.275 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.059 5.617 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.875 7.758 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.707 7.457 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.762 8.343 5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.516 6.763 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.648 7.055 4.752 1.00 0.00 H new ATOM 466 N TYR A 31 8.160 0.354 4.606 1.00 0.00 N ATOM 467 CA TYR A 31 8.126 -0.997 4.059 1.00 0.00 C ATOM 468 C TYR A 31 7.848 -2.022 5.154 1.00 0.00 C ATOM 469 O TYR A 31 8.726 -2.386 5.937 1.00 0.00 O ATOM 470 CB TYR A 31 9.450 -1.322 3.365 1.00 0.00 C ATOM 471 CG TYR A 31 9.809 -0.353 2.261 1.00 0.00 C ATOM 472 CD1 TYR A 31 10.191 0.951 2.551 1.00 0.00 C ATOM 473 CD2 TYR A 31 9.768 -0.742 0.928 1.00 0.00 C ATOM 474 CE1 TYR A 31 10.518 1.840 1.545 1.00 0.00 C ATOM 475 CE2 TYR A 31 10.096 0.139 -0.084 1.00 0.00 C ATOM 476 CZ TYR A 31 10.470 1.429 0.229 1.00 0.00 C ATOM 477 OH TYR A 31 10.797 2.311 -0.775 1.00 0.00 O ATOM 0 H TYR A 31 8.852 0.494 5.342 1.00 0.00 H new ATOM 0 HA TYR A 31 7.319 -1.045 3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.248 -1.326 4.107 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.396 -2.328 2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.233 1.275 3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.475 -1.751 0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.810 2.851 1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.060 -0.181 -1.115 1.00 0.00 H new ATOM 0 HH TYR A 31 10.713 1.864 -1.643 1.00 0.00 H new ATOM 487 N PRO A 32 6.596 -2.500 5.211 1.00 0.00 N ATOM 488 CA PRO A 32 6.171 -3.490 6.205 1.00 0.00 C ATOM 489 C PRO A 32 6.788 -4.862 5.955 1.00 0.00 C ATOM 490 O PRO A 32 7.565 -5.043 5.017 1.00 0.00 O ATOM 491 CB PRO A 32 4.652 -3.546 6.023 1.00 0.00 C ATOM 492 CG PRO A 32 4.423 -3.115 4.616 1.00 0.00 C ATOM 493 CD PRO A 32 5.498 -2.110 4.310 1.00 0.00 C ATOM 0 HA PRO A 32 6.483 -3.216 7.213 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.269 -4.552 6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.144 -2.886 6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.477 -3.964 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.433 -2.675 4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.802 -2.153 3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.162 -1.091 4.503 1.00 0.00 H new ATOM 501 N ASP A 33 6.437 -5.826 6.800 1.00 0.00 N ATOM 502 CA ASP A 33 6.956 -7.183 6.670 1.00 0.00 C ATOM 503 C ASP A 33 5.844 -8.155 6.289 1.00 0.00 C ATOM 504 O ASP A 33 4.664 -7.804 6.308 1.00 0.00 O ATOM 505 CB ASP A 33 7.614 -7.628 7.977 1.00 0.00 C ATOM 506 CG ASP A 33 8.431 -6.524 8.619 1.00 0.00 C ATOM 507 OD1 ASP A 33 9.627 -6.398 8.282 1.00 0.00 O ATOM 508 OD2 ASP A 33 7.874 -5.784 9.457 1.00 0.00 O ATOM 0 H ASP A 33 5.796 -5.693 7.582 1.00 0.00 H new ATOM 0 HA ASP A 33 7.704 -7.185 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.844 -7.958 8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.257 -8.486 7.783 1.00 0.00 H new ATOM 513 N VAL A 34 6.228 -9.379 5.943 1.00 0.00 N ATOM 514 CA VAL A 34 5.264 -10.403 5.557 1.00 0.00 C ATOM 515 C VAL A 34 4.319 -10.729 6.708 1.00 0.00 C ATOM 516 O VAL A 34 3.117 -10.904 6.509 1.00 0.00 O ATOM 517 CB VAL A 34 5.968 -11.695 5.104 1.00 0.00 C ATOM 518 CG1 VAL A 34 6.841 -12.248 6.221 1.00 0.00 C ATOM 519 CG2 VAL A 34 4.947 -12.729 4.653 1.00 0.00 C ATOM 0 H VAL A 34 7.200 -9.686 5.922 1.00 0.00 H new ATOM 0 HA VAL A 34 4.691 -9.999 4.722 1.00 0.00 H new ATOM 0 HB VAL A 34 6.611 -11.459 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.330 -13.161 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.596 -11.510 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.222 -12.469 7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.463 -13.636 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.277 -12.963 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.369 -12.330 3.819 1.00 0.00 H new ATOM 529 N GLY A 35 4.871 -10.809 7.915 1.00 0.00 N ATOM 530 CA GLY A 35 4.062 -11.114 9.082 1.00 0.00 C ATOM 531 C GLY A 35 2.984 -10.077 9.326 1.00 0.00 C ATOM 532 O GLY A 35 1.854 -10.417 9.682 1.00 0.00 O ATOM 0 H GLY A 35 5.863 -10.668 8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.599 -12.092 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.705 -11.179 9.960 1.00 0.00 H new ATOM 536 N THR A 36 3.331 -8.808 9.138 1.00 0.00 N ATOM 537 CA THR A 36 2.385 -7.718 9.343 1.00 0.00 C ATOM 538 C THR A 36 1.428 -7.591 8.163 1.00 0.00 C ATOM 539 O THR A 36 0.218 -7.454 8.345 1.00 0.00 O ATOM 540 CB THR A 36 3.111 -6.375 9.547 1.00 0.00 C ATOM 541 OG1 THR A 36 3.975 -6.454 10.687 1.00 0.00 O ATOM 542 CG2 THR A 36 2.112 -5.244 9.739 1.00 0.00 C ATOM 0 H THR A 36 4.261 -8.509 8.844 1.00 0.00 H new ATOM 0 HA THR A 36 1.818 -7.957 10.243 1.00 0.00 H new ATOM 0 HB THR A 36 3.704 -6.168 8.656 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.434 -5.597 10.809 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.648 -4.306 9.881 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.475 -5.168 8.858 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.497 -5.447 10.616 1.00 0.00 H new ATOM 550 N ARG A 37 1.977 -7.639 6.954 1.00 0.00 N ATOM 551 CA ARG A 37 1.172 -7.528 5.744 1.00 0.00 C ATOM 552 C ARG A 37 0.106 -8.619 5.699 1.00 0.00 C ATOM 553 O ARG A 37 -1.073 -8.339 5.485 1.00 0.00 O ATOM 554 CB ARG A 37 2.062 -7.619 4.503 1.00 0.00 C ATOM 555 CG ARG A 37 2.877 -6.363 4.245 1.00 0.00 C ATOM 556 CD ARG A 37 3.375 -6.307 2.809 1.00 0.00 C ATOM 557 NE ARG A 37 4.632 -7.031 2.637 1.00 0.00 N ATOM 558 CZ ARG A 37 5.029 -7.548 1.480 1.00 0.00 C ATOM 559 NH1 ARG A 37 4.273 -7.421 0.398 1.00 0.00 N ATOM 560 NH2 ARG A 37 6.186 -8.193 1.403 1.00 0.00 N ATOM 0 H ARG A 37 2.977 -7.754 6.786 1.00 0.00 H new ATOM 0 HA ARG A 37 0.675 -6.558 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.740 -8.465 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.438 -7.822 3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.268 -5.484 4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.727 -6.333 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.620 -6.730 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.512 -5.267 2.513 1.00 0.00 H new ATOM 0 HE ARG A 37 5.238 -7.146 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.383 -6.925 0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.581 -7.819 -0.489 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.771 -8.292 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.490 -8.590 0.514 1.00 0.00 H new ATOM 574 N GLU A 38 0.530 -9.863 5.902 1.00 0.00 N ATOM 575 CA GLU A 38 -0.389 -10.995 5.883 1.00 0.00 C ATOM 576 C GLU A 38 -1.557 -10.763 6.838 1.00 0.00 C ATOM 577 O GLU A 38 -2.720 -10.849 6.443 1.00 0.00 O ATOM 578 CB GLU A 38 0.346 -12.283 6.262 1.00 0.00 C ATOM 579 CG GLU A 38 1.026 -12.963 5.086 1.00 0.00 C ATOM 580 CD GLU A 38 1.503 -14.364 5.419 1.00 0.00 C ATOM 581 OE1 GLU A 38 2.368 -14.499 6.310 1.00 0.00 O ATOM 582 OE2 GLU A 38 1.013 -15.324 4.790 1.00 0.00 O ATOM 0 H GLU A 38 1.503 -10.112 6.081 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.783 -11.094 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.094 -12.055 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.363 -12.977 6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.332 -13.009 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.876 -12.361 4.764 1.00 0.00 H new ATOM 589 N GLN A 39 -1.238 -10.470 8.094 1.00 0.00 N ATOM 590 CA GLN A 39 -2.261 -10.228 9.105 1.00 0.00 C ATOM 591 C GLN A 39 -3.134 -9.038 8.721 1.00 0.00 C ATOM 592 O GLN A 39 -4.358 -9.151 8.646 1.00 0.00 O ATOM 593 CB GLN A 39 -1.613 -9.982 10.468 1.00 0.00 C ATOM 594 CG GLN A 39 -1.338 -11.256 11.250 1.00 0.00 C ATOM 595 CD GLN A 39 -1.119 -10.998 12.728 1.00 0.00 C ATOM 596 OE1 GLN A 39 -1.823 -10.194 13.340 1.00 0.00 O ATOM 597 NE2 GLN A 39 -0.140 -11.681 13.310 1.00 0.00 N ATOM 0 H GLN A 39 -0.280 -10.394 8.436 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.893 -11.114 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.676 -9.445 10.324 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.263 -9.336 11.059 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.176 -11.942 11.125 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.458 -11.749 10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.419 -12.337 12.764 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.053 -11.549 14.303 1.00 0.00 H new ATOM 606 N LEU A 40 -2.497 -7.897 8.480 1.00 0.00 N ATOM 607 CA LEU A 40 -3.216 -6.685 8.104 1.00 0.00 C ATOM 608 C LEU A 40 -4.249 -6.977 7.020 1.00 0.00 C ATOM 609 O LEU A 40 -5.416 -6.608 7.145 1.00 0.00 O ATOM 610 CB LEU A 40 -2.235 -5.618 7.614 1.00 0.00 C ATOM 611 CG LEU A 40 -2.849 -4.279 7.202 1.00 0.00 C ATOM 612 CD1 LEU A 40 -3.126 -3.420 8.426 1.00 0.00 C ATOM 613 CD2 LEU A 40 -1.934 -3.549 6.231 1.00 0.00 C ATOM 0 H LEU A 40 -1.485 -7.786 8.538 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.738 -6.314 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.506 -5.433 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.687 -6.021 6.762 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.796 -4.475 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.563 -2.471 8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.821 -3.940 9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.193 -3.232 8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.387 -2.599 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.971 -3.365 6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.787 -4.160 5.340 1.00 0.00 H new ATOM 625 N ALA A 41 -3.811 -7.646 5.958 1.00 0.00 N ATOM 626 CA ALA A 41 -4.699 -7.992 4.855 1.00 0.00 C ATOM 627 C ALA A 41 -6.007 -8.583 5.368 1.00 0.00 C ATOM 628 O ALA A 41 -7.071 -7.979 5.225 1.00 0.00 O ATOM 629 CB ALA A 41 -4.011 -8.967 3.911 1.00 0.00 C ATOM 0 H ALA A 41 -2.848 -7.959 5.838 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.934 -7.078 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.685 -9.217 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.107 -8.509 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.747 -9.875 4.454 1.00 0.00 H new ATOM 635 N ARG A 42 -5.923 -9.768 5.964 1.00 0.00 N ATOM 636 CA ARG A 42 -7.101 -10.441 6.497 1.00 0.00 C ATOM 637 C ARG A 42 -7.855 -9.534 7.465 1.00 0.00 C ATOM 638 O ARG A 42 -9.083 -9.569 7.537 1.00 0.00 O ATOM 639 CB ARG A 42 -6.699 -11.737 7.203 1.00 0.00 C ATOM 640 CG ARG A 42 -6.350 -12.868 6.249 1.00 0.00 C ATOM 641 CD ARG A 42 -6.552 -14.228 6.900 1.00 0.00 C ATOM 642 NE ARG A 42 -6.031 -15.313 6.073 1.00 0.00 N ATOM 643 CZ ARG A 42 -5.687 -16.503 6.553 1.00 0.00 C ATOM 644 NH1 ARG A 42 -5.809 -16.759 7.848 1.00 0.00 N ATOM 645 NH2 ARG A 42 -5.221 -17.439 5.737 1.00 0.00 N ATOM 0 H ARG A 42 -5.051 -10.282 6.090 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.760 -10.680 5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.842 -11.539 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.516 -12.057 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.969 -12.796 5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.313 -12.768 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.057 -14.242 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.615 -14.389 7.082 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.925 -15.148 5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.168 -16.042 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.544 -17.673 8.214 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.126 -17.245 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.957 -18.352 6.106 1.00 0.00 H new ATOM 659 N LYS A 43 -7.110 -8.723 8.209 1.00 0.00 N ATOM 660 CA LYS A 43 -7.706 -7.806 9.173 1.00 0.00 C ATOM 661 C LYS A 43 -8.577 -6.769 8.471 1.00 0.00 C ATOM 662 O LYS A 43 -9.650 -6.413 8.958 1.00 0.00 O ATOM 663 CB LYS A 43 -6.613 -7.105 9.984 1.00 0.00 C ATOM 664 CG LYS A 43 -7.141 -6.017 10.902 1.00 0.00 C ATOM 665 CD LYS A 43 -6.117 -5.631 11.956 1.00 0.00 C ATOM 666 CE LYS A 43 -6.664 -4.575 12.905 1.00 0.00 C ATOM 667 NZ LYS A 43 -5.880 -4.505 14.169 1.00 0.00 N ATOM 0 H LYS A 43 -6.092 -8.682 8.163 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.335 -8.386 9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.083 -7.847 10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.886 -6.669 9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.406 -5.139 10.312 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.053 -6.362 11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.826 -6.515 12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.217 -5.254 11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.648 -3.602 12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.706 -4.799 13.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.284 -3.774 14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.916 -5.426 14.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.891 -4.266 13.952 1.00 0.00 H new ATOM 681 N VAL A 44 -8.108 -6.289 7.323 1.00 0.00 N ATOM 682 CA VAL A 44 -8.846 -5.295 6.553 1.00 0.00 C ATOM 683 C VAL A 44 -9.667 -5.953 5.450 1.00 0.00 C ATOM 684 O VAL A 44 -10.162 -5.281 4.544 1.00 0.00 O ATOM 685 CB VAL A 44 -7.898 -4.257 5.923 1.00 0.00 C ATOM 686 CG1 VAL A 44 -7.132 -3.508 7.002 1.00 0.00 C ATOM 687 CG2 VAL A 44 -6.942 -4.931 4.950 1.00 0.00 C ATOM 0 H VAL A 44 -7.221 -6.572 6.906 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.516 -4.789 7.248 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.496 -3.534 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.468 -2.779 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.835 -2.993 7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.543 -4.214 7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.279 -4.183 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.349 -5.676 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.512 -5.417 4.158 1.00 0.00 H new ATOM 697 N HIS A 45 -9.809 -7.272 5.532 1.00 0.00 N ATOM 698 CA HIS A 45 -10.571 -8.022 4.540 1.00 0.00 C ATOM 699 C HIS A 45 -10.020 -7.785 3.138 1.00 0.00 C ATOM 700 O HIS A 45 -10.774 -7.531 2.197 1.00 0.00 O ATOM 701 CB HIS A 45 -12.047 -7.625 4.595 1.00 0.00 C ATOM 702 CG HIS A 45 -12.814 -8.316 5.680 1.00 0.00 C ATOM 703 ND1 HIS A 45 -14.029 -8.932 5.468 1.00 0.00 N ATOM 704 CD2 HIS A 45 -12.530 -8.489 6.992 1.00 0.00 C ATOM 705 CE1 HIS A 45 -14.461 -9.451 6.604 1.00 0.00 C ATOM 706 NE2 HIS A 45 -13.569 -9.197 7.544 1.00 0.00 N ATOM 0 H HIS A 45 -9.407 -7.843 6.275 1.00 0.00 H new ATOM 0 HA HIS A 45 -10.478 -9.083 4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.119 -6.547 4.740 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.511 -7.849 3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -11.650 -8.136 7.509 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -15.386 -9.991 6.740 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -13.640 -9.481 8.521 1.00 0.00 H new ATOM 715 N LEU A 46 -8.701 -7.870 3.004 1.00 0.00 N ATOM 716 CA LEU A 46 -8.048 -7.664 1.715 1.00 0.00 C ATOM 717 C LEU A 46 -6.948 -8.697 1.491 1.00 0.00 C ATOM 718 O LEU A 46 -6.604 -9.458 2.396 1.00 0.00 O ATOM 719 CB LEU A 46 -7.462 -6.254 1.638 1.00 0.00 C ATOM 720 CG LEU A 46 -8.461 -5.104 1.771 1.00 0.00 C ATOM 721 CD1 LEU A 46 -7.737 -3.799 2.067 1.00 0.00 C ATOM 722 CD2 LEU A 46 -9.298 -4.976 0.506 1.00 0.00 C ATOM 0 H LEU A 46 -8.063 -8.080 3.771 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.797 -7.783 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.713 -6.150 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.943 -6.149 0.685 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.128 -5.323 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.464 -2.992 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.182 -3.894 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.046 -3.574 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.004 -4.153 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.645 -4.781 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.846 -5.903 0.337 1.00 0.00 H new ATOM 734 N ARG A 47 -6.399 -8.717 0.281 1.00 0.00 N ATOM 735 CA ARG A 47 -5.338 -9.655 -0.061 1.00 0.00 C ATOM 736 C ARG A 47 -3.965 -9.023 0.148 1.00 0.00 C ATOM 737 O ARG A 47 -3.741 -7.869 -0.216 1.00 0.00 O ATOM 738 CB ARG A 47 -5.483 -10.115 -1.513 1.00 0.00 C ATOM 739 CG ARG A 47 -6.828 -10.755 -1.817 1.00 0.00 C ATOM 740 CD ARG A 47 -6.775 -11.586 -3.089 1.00 0.00 C ATOM 741 NE ARG A 47 -8.093 -11.742 -3.698 1.00 0.00 N ATOM 742 CZ ARG A 47 -8.356 -12.607 -4.671 1.00 0.00 C ATOM 743 NH1 ARG A 47 -7.396 -13.390 -5.143 1.00 0.00 N ATOM 744 NH2 ARG A 47 -9.582 -12.690 -5.173 1.00 0.00 N ATOM 0 H ARG A 47 -6.672 -8.094 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.426 -10.519 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.340 -9.259 -2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.691 -10.828 -1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.129 -11.386 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.587 -9.979 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.100 -11.113 -3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.362 -12.569 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.854 -11.154 -3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.453 -13.329 -4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.600 -14.054 -5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.323 -12.089 -4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.783 -13.355 -5.920 1.00 0.00 H new ATOM 758 N GLU A 48 -3.051 -9.787 0.737 1.00 0.00 N ATOM 759 CA GLU A 48 -1.701 -9.301 0.995 1.00 0.00 C ATOM 760 C GLU A 48 -1.143 -8.570 -0.222 1.00 0.00 C ATOM 761 O GLU A 48 -0.634 -7.455 -0.110 1.00 0.00 O ATOM 762 CB GLU A 48 -0.779 -10.463 1.372 1.00 0.00 C ATOM 763 CG GLU A 48 0.350 -10.065 2.309 1.00 0.00 C ATOM 764 CD GLU A 48 1.562 -9.534 1.569 1.00 0.00 C ATOM 765 OE1 GLU A 48 1.410 -8.559 0.804 1.00 0.00 O ATOM 766 OE2 GLU A 48 2.663 -10.093 1.757 1.00 0.00 O ATOM 0 H GLU A 48 -3.221 -10.745 1.044 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.749 -8.600 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.371 -11.248 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.353 -10.887 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.009 -9.305 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.643 -10.928 2.906 1.00 0.00 H new ATOM 773 N GLU A 49 -1.243 -9.207 -1.385 1.00 0.00 N ATOM 774 CA GLU A 49 -0.748 -8.617 -2.623 1.00 0.00 C ATOM 775 C GLU A 49 -1.283 -7.200 -2.803 1.00 0.00 C ATOM 776 O GLU A 49 -0.544 -6.287 -3.175 1.00 0.00 O ATOM 777 CB GLU A 49 -1.149 -9.481 -3.821 1.00 0.00 C ATOM 778 CG GLU A 49 -2.649 -9.690 -3.946 1.00 0.00 C ATOM 779 CD GLU A 49 -3.030 -10.444 -5.205 1.00 0.00 C ATOM 780 OE1 GLU A 49 -3.198 -9.795 -6.259 1.00 0.00 O ATOM 781 OE2 GLU A 49 -3.159 -11.685 -5.136 1.00 0.00 O ATOM 0 H GLU A 49 -1.662 -10.130 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 49 0.339 -8.571 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.778 -9.016 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.661 -10.452 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.009 -10.238 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.149 -8.721 -3.942 1.00 0.00 H new ATOM 788 N LYS A 50 -2.572 -7.022 -2.537 1.00 0.00 N ATOM 789 CA LYS A 50 -3.208 -5.716 -2.668 1.00 0.00 C ATOM 790 C LYS A 50 -2.601 -4.715 -1.691 1.00 0.00 C ATOM 791 O LYS A 50 -2.304 -3.577 -2.056 1.00 0.00 O ATOM 792 CB LYS A 50 -4.715 -5.833 -2.425 1.00 0.00 C ATOM 793 CG LYS A 50 -5.431 -6.696 -3.450 1.00 0.00 C ATOM 794 CD LYS A 50 -5.897 -5.876 -4.641 1.00 0.00 C ATOM 795 CE LYS A 50 -6.287 -6.766 -5.811 1.00 0.00 C ATOM 796 NZ LYS A 50 -6.601 -5.971 -7.032 1.00 0.00 N ATOM 0 H LYS A 50 -3.198 -7.766 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.037 -5.356 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.883 -6.249 -1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.154 -4.835 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.763 -7.487 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.288 -7.181 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.749 -5.261 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.103 -5.195 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.474 -7.458 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.153 -7.368 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.862 -6.614 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.394 -5.328 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.766 -5.416 -7.309 1.00 0.00 H new ATOM 810 N VAL A 51 -2.417 -5.146 -0.447 1.00 0.00 N ATOM 811 CA VAL A 51 -1.843 -4.288 0.582 1.00 0.00 C ATOM 812 C VAL A 51 -0.592 -3.580 0.073 1.00 0.00 C ATOM 813 O VAL A 51 -0.477 -2.358 0.168 1.00 0.00 O ATOM 814 CB VAL A 51 -1.485 -5.091 1.847 1.00 0.00 C ATOM 815 CG1 VAL A 51 -0.786 -4.202 2.865 1.00 0.00 C ATOM 816 CG2 VAL A 51 -2.732 -5.723 2.447 1.00 0.00 C ATOM 0 H VAL A 51 -2.657 -6.084 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.601 -3.546 0.833 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.799 -5.890 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.541 -4.787 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.130 -3.801 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.445 -3.380 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.461 -6.286 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.444 -4.942 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.186 -6.394 1.718 1.00 0.00 H new ATOM 826 N GLU A 52 0.342 -4.356 -0.468 1.00 0.00 N ATOM 827 CA GLU A 52 1.584 -3.802 -0.993 1.00 0.00 C ATOM 828 C GLU A 52 1.303 -2.771 -2.082 1.00 0.00 C ATOM 829 O GLU A 52 1.859 -1.673 -2.071 1.00 0.00 O ATOM 830 CB GLU A 52 2.472 -4.918 -1.548 1.00 0.00 C ATOM 831 CG GLU A 52 3.778 -4.418 -2.143 1.00 0.00 C ATOM 832 CD GLU A 52 4.591 -5.528 -2.779 1.00 0.00 C ATOM 833 OE1 GLU A 52 4.960 -6.481 -2.061 1.00 0.00 O ATOM 834 OE2 GLU A 52 4.859 -5.443 -3.996 1.00 0.00 O ATOM 0 H GLU A 52 0.262 -5.369 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 52 2.105 -3.306 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.694 -5.625 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.920 -5.464 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.564 -3.655 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.370 -3.941 -1.362 1.00 0.00 H new ATOM 841 N VAL A 53 0.437 -3.134 -3.023 1.00 0.00 N ATOM 842 CA VAL A 53 0.081 -2.241 -4.119 1.00 0.00 C ATOM 843 C VAL A 53 -0.152 -0.821 -3.618 1.00 0.00 C ATOM 844 O VAL A 53 0.472 0.127 -4.095 1.00 0.00 O ATOM 845 CB VAL A 53 -1.183 -2.729 -4.852 1.00 0.00 C ATOM 846 CG1 VAL A 53 -1.576 -1.750 -5.948 1.00 0.00 C ATOM 847 CG2 VAL A 53 -0.962 -4.121 -5.425 1.00 0.00 C ATOM 0 H VAL A 53 -0.031 -4.040 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 53 0.920 -2.244 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.001 -2.782 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.471 -2.111 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.777 -0.773 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.762 -1.663 -6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.865 -4.450 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.131 -4.097 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.732 -4.815 -4.617 1.00 0.00 H new ATOM 857 N TRP A 54 -1.054 -0.680 -2.653 1.00 0.00 N ATOM 858 CA TRP A 54 -1.370 0.626 -2.086 1.00 0.00 C ATOM 859 C TRP A 54 -0.112 1.313 -1.568 1.00 0.00 C ATOM 860 O TRP A 54 0.065 2.519 -1.742 1.00 0.00 O ATOM 861 CB TRP A 54 -2.389 0.481 -0.955 1.00 0.00 C ATOM 862 CG TRP A 54 -2.844 1.794 -0.393 1.00 0.00 C ATOM 863 CD1 TRP A 54 -3.908 2.540 -0.813 1.00 0.00 C ATOM 864 CD2 TRP A 54 -2.247 2.515 0.690 1.00 0.00 C ATOM 865 NE1 TRP A 54 -4.008 3.683 -0.056 1.00 0.00 N ATOM 866 CE2 TRP A 54 -3.001 3.690 0.873 1.00 0.00 C ATOM 867 CE3 TRP A 54 -1.150 2.282 1.524 1.00 0.00 C ATOM 868 CZ2 TRP A 54 -2.691 4.628 1.855 1.00 0.00 C ATOM 869 CZ3 TRP A 54 -0.844 3.213 2.497 1.00 0.00 C ATOM 870 CH2 TRP A 54 -1.612 4.374 2.657 1.00 0.00 C ATOM 0 H TRP A 54 -1.579 -1.454 -2.247 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.799 1.243 -2.875 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.255 -0.068 -1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.951 -0.116 -0.155 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.573 2.272 -1.621 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.717 4.408 -0.168 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.552 1.390 1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.281 5.524 1.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.002 3.043 3.146 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.347 5.082 3.428 1.00 0.00 H new ATOM 881 N PHE A 55 0.761 0.539 -0.932 1.00 0.00 N ATOM 882 CA PHE A 55 2.004 1.074 -0.388 1.00 0.00 C ATOM 883 C PHE A 55 2.904 1.598 -1.503 1.00 0.00 C ATOM 884 O PHE A 55 3.420 2.714 -1.428 1.00 0.00 O ATOM 885 CB PHE A 55 2.739 -0.002 0.414 1.00 0.00 C ATOM 886 CG PHE A 55 2.283 -0.103 1.841 1.00 0.00 C ATOM 887 CD1 PHE A 55 0.959 -0.382 2.141 1.00 0.00 C ATOM 888 CD2 PHE A 55 3.177 0.082 2.883 1.00 0.00 C ATOM 889 CE1 PHE A 55 0.535 -0.476 3.453 1.00 0.00 C ATOM 890 CE2 PHE A 55 2.759 -0.011 4.197 1.00 0.00 C ATOM 891 CZ PHE A 55 1.437 -0.289 4.483 1.00 0.00 C ATOM 0 H PHE A 55 0.631 -0.461 -0.781 1.00 0.00 H new ATOM 0 HA PHE A 55 1.755 1.904 0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.598 -0.967 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.808 0.210 0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.250 -0.528 1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.212 0.301 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.499 -0.695 3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.466 0.134 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.109 -0.360 5.509 1.00 0.00 H new ATOM 901 N LYS A 56 3.090 0.785 -2.537 1.00 0.00 N ATOM 902 CA LYS A 56 3.927 1.164 -3.669 1.00 0.00 C ATOM 903 C LYS A 56 3.489 2.508 -4.243 1.00 0.00 C ATOM 904 O LYS A 56 4.289 3.434 -4.359 1.00 0.00 O ATOM 905 CB LYS A 56 3.868 0.089 -4.756 1.00 0.00 C ATOM 906 CG LYS A 56 4.760 -1.108 -4.476 1.00 0.00 C ATOM 907 CD LYS A 56 4.237 -2.364 -5.153 1.00 0.00 C ATOM 908 CE LYS A 56 4.500 -2.341 -6.651 1.00 0.00 C ATOM 909 NZ LYS A 56 5.957 -2.320 -6.957 1.00 0.00 N ATOM 0 H LYS A 56 2.672 -0.142 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 56 4.954 1.257 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.838 -0.253 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.157 0.532 -5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.771 -0.899 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.823 -1.273 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.712 -3.241 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.166 -2.457 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.044 -3.217 -7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.024 -1.464 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.113 -2.657 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.317 -1.349 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.461 -2.940 -6.291 1.00 0.00 H new ATOM 923 N ASN A 57 2.212 2.605 -4.600 1.00 0.00 N ATOM 924 CA ASN A 57 1.668 3.836 -5.162 1.00 0.00 C ATOM 925 C ASN A 57 1.909 5.015 -4.224 1.00 0.00 C ATOM 926 O ASN A 57 2.457 6.041 -4.629 1.00 0.00 O ATOM 927 CB ASN A 57 0.169 3.680 -5.429 1.00 0.00 C ATOM 928 CG ASN A 57 -0.118 3.140 -6.816 1.00 0.00 C ATOM 929 OD1 ASN A 57 0.795 2.752 -7.545 1.00 0.00 O ATOM 930 ND2 ASN A 57 -1.393 3.112 -7.188 1.00 0.00 N ATOM 0 H ASN A 57 1.536 1.847 -4.510 1.00 0.00 H new ATOM 0 HA ASN A 57 2.180 4.034 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.262 3.010 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.321 4.646 -5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.647 2.759 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.117 3.444 -6.551 1.00 0.00 H new ATOM 937 N ARG A 58 1.497 4.861 -2.971 1.00 0.00 N ATOM 938 CA ARG A 58 1.667 5.913 -1.975 1.00 0.00 C ATOM 939 C ARG A 58 3.073 6.503 -2.044 1.00 0.00 C ATOM 940 O ARG A 58 3.242 7.710 -2.219 1.00 0.00 O ATOM 941 CB ARG A 58 1.401 5.365 -0.572 1.00 0.00 C ATOM 942 CG ARG A 58 -0.076 5.205 -0.251 1.00 0.00 C ATOM 943 CD ARG A 58 -0.702 6.526 0.168 1.00 0.00 C ATOM 944 NE ARG A 58 -2.116 6.600 -0.190 1.00 0.00 N ATOM 945 CZ ARG A 58 -2.965 7.469 0.347 1.00 0.00 C ATOM 946 NH1 ARG A 58 -2.545 8.333 1.260 1.00 0.00 N ATOM 947 NH2 ARG A 58 -4.237 7.475 -0.031 1.00 0.00 N ATOM 0 H ARG A 58 1.043 4.018 -2.620 1.00 0.00 H new ATOM 0 HA ARG A 58 0.948 6.703 -2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.893 4.398 -0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.853 6.032 0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.599 4.814 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.199 4.474 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.594 6.653 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.165 7.348 -0.305 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.471 5.949 -0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.568 8.332 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.199 8.999 1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.563 6.812 -0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.889 8.143 0.382 1.00 0.00 H new