USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 366 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 29 GLN : amide:sc= 0.27 K(o=-0.84,f=-5.3!) USER MOD Set 1.2: A 64 HIS :FLIP no HD1:sc= -1.11 F(o=-1.9,f=-0.84) USER MOD Set 2.1: A 19 ASN :FLIP amide:sc= 0.91 F(o=-6.1,f=-3.5) USER MOD Set 2.2: A 31 CYS SG : rot 106:sc= 0.674 USER MOD Set 2.3: A 34 CYS SG : rot -47:sc= -1.71 USER MOD Set 2.4: A 55 CYS SG : rot 149:sc= 0.864 USER MOD Set 2.5: A 57 HIS :FLIP no HD1:sc= -0.576 F(o=-6.9,f=-3.5) USER MOD Set 2.6: A 58 CYS SG : rot -51:sc= -3.62 USER MOD Set 3.1: A 18 CYS SG : rot -152:sc= -0.0175 USER MOD Set 3.2: A 21 CYS SG : rot 180:sc= -1.38 USER MOD Set 3.3: A 39 HIS : no HE2:sc= -1.75! C(o=-4.7!,f=-11!) USER MOD Set 3.4: A 42 CYS SG : rot 169:sc= -1.56 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.188 F(o=-1.3,f=-0.19) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 171:sc= -1.79 (180deg=-2.26!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.91) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N ILE A 17 -11.795 -4.646 1.013 1.00 0.00 N ATOM 215 CA ILE A 17 -11.452 -4.400 2.408 1.00 0.00 C ATOM 216 C ILE A 17 -9.944 -4.263 2.587 1.00 0.00 C ATOM 217 O ILE A 17 -9.165 -4.987 1.965 1.00 0.00 O ATOM 218 CB ILE A 17 -11.966 -5.529 3.321 1.00 0.00 C ATOM 219 CG1 ILE A 17 -13.496 -5.554 3.326 1.00 0.00 C ATOM 220 CG2 ILE A 17 -11.428 -5.354 4.733 1.00 0.00 C ATOM 221 CD1 ILE A 17 -14.117 -4.330 3.961 1.00 0.00 C ATOM 0 HA ILE A 17 -11.935 -3.465 2.692 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.608 -6.482 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.853 -5.642 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.835 -6.442 3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.800 -6.159 5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.339 -5.381 4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.760 -4.396 5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.203 -4.415 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.789 -4.252 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.807 -3.440 3.414 1.00 0.00 H new ATOM 233 N CYS A 18 -9.537 -3.332 3.443 1.00 0.00 N ATOM 234 CA CYS A 18 -8.122 -3.100 3.707 1.00 0.00 C ATOM 235 C CYS A 18 -7.467 -4.347 4.294 1.00 0.00 C ATOM 236 O CYS A 18 -8.150 -5.282 4.712 1.00 0.00 O ATOM 237 CB CYS A 18 -7.947 -1.920 4.665 1.00 0.00 C ATOM 238 SG CYS A 18 -6.241 -1.289 4.764 1.00 0.00 S ATOM 0 H CYS A 18 -10.168 -2.725 3.966 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.635 -2.866 2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.605 -1.110 4.350 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.269 -2.224 5.661 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.043 -0.756 5.933 1.00 0.00 H new ATOM 243 N ASN A 19 -6.138 -4.353 4.322 1.00 0.00 N ATOM 244 CA ASN A 19 -5.390 -5.484 4.858 1.00 0.00 C ATOM 245 C ASN A 19 -4.677 -5.102 6.151 1.00 0.00 C ATOM 246 O ASN A 19 -4.297 -5.967 6.941 1.00 0.00 O ATOM 247 CB ASN A 19 -4.372 -5.982 3.829 1.00 0.00 C ATOM 248 CG ASN A 19 -4.052 -7.454 3.998 1.00 0.00 C ATOM 249 OD1 ASN A 19 -4.213 -8.222 2.927 1.00 0.00 O flip ATOM 250 ND2 ASN A 19 -3.664 -7.896 5.080 1.00 0.00 N flip ATOM 0 H ASN A 19 -5.557 -3.587 3.980 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.097 -6.284 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.761 -5.810 2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.454 -5.401 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.554 -7.269 5.877 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.452 -8.889 5.179 1.00 0.00 H new ATOM 257 N ILE A 20 -4.500 -3.802 6.361 1.00 0.00 N ATOM 258 CA ILE A 20 -3.834 -3.306 7.559 1.00 0.00 C ATOM 259 C ILE A 20 -4.834 -3.074 8.687 1.00 0.00 C ATOM 260 O ILE A 20 -4.574 -3.414 9.841 1.00 0.00 O ATOM 261 CB ILE A 20 -3.079 -1.993 7.280 1.00 0.00 C ATOM 262 CG1 ILE A 20 -2.054 -2.197 6.162 1.00 0.00 C ATOM 263 CG2 ILE A 20 -2.398 -1.495 8.546 1.00 0.00 C ATOM 264 CD1 ILE A 20 -0.865 -3.034 6.578 1.00 0.00 C ATOM 0 H ILE A 20 -4.808 -3.073 5.717 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.118 -4.070 7.862 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.797 -1.239 6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.544 -2.673 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.701 -1.224 5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.868 -0.566 8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.148 -1.317 9.317 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.689 -2.245 8.897 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.180 -3.137 5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.350 -2.548 7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.206 -4.021 6.891 1.00 0.00 H new ATOM 276 N CYS A 21 -5.980 -2.495 8.344 1.00 0.00 N ATOM 277 CA CYS A 21 -7.021 -2.218 9.327 1.00 0.00 C ATOM 278 C CYS A 21 -8.252 -3.084 9.074 1.00 0.00 C ATOM 279 O CYS A 21 -9.045 -3.336 9.982 1.00 0.00 O ATOM 280 CB CYS A 21 -7.408 -0.739 9.288 1.00 0.00 C ATOM 281 SG CYS A 21 -8.059 -0.182 7.680 1.00 0.00 S ATOM 0 H CYS A 21 -6.211 -2.209 7.393 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.626 -2.457 10.314 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.158 -0.550 10.056 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.534 -0.139 9.541 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.359 1.081 7.747 1.00 0.00 H new ATOM 286 N HIS A 22 -8.405 -3.538 7.834 1.00 0.00 N ATOM 287 CA HIS A 22 -9.538 -4.376 7.461 1.00 0.00 C ATOM 288 C HIS A 22 -10.822 -3.555 7.393 1.00 0.00 C ATOM 289 O HIS A 22 -11.904 -4.050 7.708 1.00 0.00 O ATOM 290 CB HIS A 22 -9.703 -5.521 8.460 1.00 0.00 C ATOM 291 CG HIS A 22 -10.204 -6.790 7.841 1.00 0.00 C ATOM 292 ND1 HIS A 22 -9.898 -7.380 6.661 1.00 0.00 N flip ATOM 293 CD2 HIS A 22 -11.136 -7.606 8.446 1.00 0.00 C flip ATOM 294 CE1 HIS A 22 -10.643 -8.531 6.577 1.00 0.00 C flip ATOM 295 NE2 HIS A 22 -11.380 -8.645 7.667 1.00 0.00 N flip ATOM 0 H HIS A 22 -7.758 -3.339 7.071 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.341 -4.792 6.473 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.743 -5.715 8.940 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.394 -5.211 9.244 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.595 -7.424 9.407 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.628 -9.229 5.753 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.028 -9.406 7.873 1.00 0.00 H new ATOM 303 N SER A 23 -10.694 -2.298 6.981 1.00 0.00 N ATOM 304 CA SER A 23 -11.844 -1.407 6.876 1.00 0.00 C ATOM 305 C SER A 23 -12.181 -1.124 5.415 1.00 0.00 C ATOM 306 O SER A 23 -11.333 -1.263 4.532 1.00 0.00 O ATOM 307 CB SER A 23 -11.567 -0.095 7.612 1.00 0.00 C ATOM 308 OG SER A 23 -11.639 -0.272 9.016 1.00 0.00 O ATOM 0 H SER A 23 -9.806 -1.873 6.714 1.00 0.00 H new ATOM 0 HA SER A 23 -12.699 -1.901 7.338 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.579 0.277 7.340 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.289 0.660 7.300 1.00 0.00 H new ATOM 0 HG SER A 23 -11.456 0.581 9.463 1.00 0.00 H new ATOM 314 N LEU A 24 -13.423 -0.725 5.168 1.00 0.00 N ATOM 315 CA LEU A 24 -13.874 -0.421 3.814 1.00 0.00 C ATOM 316 C LEU A 24 -13.135 0.789 3.253 1.00 0.00 C ATOM 317 O LEU A 24 -13.012 1.818 3.918 1.00 0.00 O ATOM 318 CB LEU A 24 -15.382 -0.163 3.803 1.00 0.00 C ATOM 319 CG LEU A 24 -16.098 -0.423 2.478 1.00 0.00 C ATOM 320 CD1 LEU A 24 -15.583 0.517 1.399 1.00 0.00 C ATOM 321 CD2 LEU A 24 -15.922 -1.874 2.053 1.00 0.00 C ATOM 0 H LEU A 24 -14.136 -0.604 5.887 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.655 -1.282 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.842 -0.786 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.555 0.875 4.089 1.00 0.00 H new ATOM 0 HG LEU A 24 -17.162 -0.233 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.104 0.317 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.761 1.549 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.514 0.359 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.438 -2.041 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.861 -2.091 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.341 -2.530 2.816 1.00 0.00 H new ATOM 333 N LEU A 25 -12.647 0.660 2.024 1.00 0.00 N ATOM 334 CA LEU A 25 -11.922 1.745 1.371 1.00 0.00 C ATOM 335 C LEU A 25 -12.475 2.006 -0.026 1.00 0.00 C ATOM 336 O LEU A 25 -13.138 1.150 -0.612 1.00 0.00 O ATOM 337 CB LEU A 25 -10.431 1.410 1.287 1.00 0.00 C ATOM 338 CG LEU A 25 -10.086 0.005 0.792 1.00 0.00 C ATOM 339 CD1 LEU A 25 -10.328 -0.108 -0.705 1.00 0.00 C ATOM 340 CD2 LEU A 25 -8.642 -0.339 1.128 1.00 0.00 C ATOM 0 H LEU A 25 -12.740 -0.185 1.460 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.053 2.648 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.953 2.134 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.993 1.543 2.276 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.736 -0.708 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.077 -1.115 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.377 0.095 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.704 0.615 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.414 -1.342 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.976 0.378 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.500 -0.300 2.208 1.00 0.00 H new ATOM 352 N ILE A 26 -12.197 3.194 -0.554 1.00 0.00 N ATOM 353 CA ILE A 26 -12.665 3.566 -1.883 1.00 0.00 C ATOM 354 C ILE A 26 -11.496 3.748 -2.846 1.00 0.00 C ATOM 355 O ILE A 26 -11.534 3.271 -3.980 1.00 0.00 O ATOM 356 CB ILE A 26 -13.491 4.865 -1.846 1.00 0.00 C ATOM 357 CG1 ILE A 26 -14.004 5.210 -3.246 1.00 0.00 C ATOM 358 CG2 ILE A 26 -12.657 6.007 -1.285 1.00 0.00 C ATOM 359 CD1 ILE A 26 -15.019 4.223 -3.777 1.00 0.00 C ATOM 0 H ILE A 26 -11.651 3.914 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.299 2.752 -2.234 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.350 4.713 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -14.452 6.204 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -13.159 5.255 -3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.255 6.918 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.337 5.761 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.781 6.161 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -15.339 4.530 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -14.569 3.232 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -15.882 4.195 -3.112 1.00 0.00 H new ATOM 371 N GLN A 27 -10.459 4.439 -2.385 1.00 0.00 N ATOM 372 CA GLN A 27 -9.278 4.683 -3.205 1.00 0.00 C ATOM 373 C GLN A 27 -8.002 4.493 -2.393 1.00 0.00 C ATOM 374 O GLN A 27 -7.917 4.921 -1.242 1.00 0.00 O ATOM 375 CB GLN A 27 -9.320 6.096 -3.790 1.00 0.00 C ATOM 376 CG GLN A 27 -8.032 6.504 -4.487 1.00 0.00 C ATOM 377 CD GLN A 27 -7.917 5.927 -5.884 1.00 0.00 C ATOM 378 OE1 GLN A 27 -7.552 4.764 -6.060 1.00 0.00 O ATOM 379 NE2 GLN A 27 -8.229 6.738 -6.888 1.00 0.00 N ATOM 0 H GLN A 27 -10.412 4.840 -1.448 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.278 3.960 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.144 6.162 -4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.531 6.806 -2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.982 7.591 -4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.181 6.175 -3.891 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.527 7.695 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.171 6.404 -7.850 1.00 0.00 H new ATOM 388 N GLY A 28 -7.010 3.847 -2.999 1.00 0.00 N ATOM 389 CA GLY A 28 -5.751 3.612 -2.316 1.00 0.00 C ATOM 390 C GLY A 28 -4.820 2.717 -3.110 1.00 0.00 C ATOM 391 O GLY A 28 -4.697 2.863 -4.326 1.00 0.00 O ATOM 0 H GLY A 28 -7.056 3.482 -3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.260 4.566 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.947 3.157 -1.345 1.00 0.00 H new ATOM 395 N GLN A 29 -4.162 1.790 -2.421 1.00 0.00 N ATOM 396 CA GLN A 29 -3.235 0.871 -3.070 1.00 0.00 C ATOM 397 C GLN A 29 -3.871 -0.503 -3.254 1.00 0.00 C ATOM 398 O GLN A 29 -4.821 -0.857 -2.557 1.00 0.00 O ATOM 399 CB GLN A 29 -1.950 0.745 -2.249 1.00 0.00 C ATOM 400 CG GLN A 29 -1.217 2.063 -2.061 1.00 0.00 C ATOM 401 CD GLN A 29 -0.185 2.317 -3.143 1.00 0.00 C ATOM 402 OE1 GLN A 29 0.465 1.390 -3.627 1.00 0.00 O ATOM 403 NE2 GLN A 29 -0.030 3.578 -3.529 1.00 0.00 N ATOM 0 H GLN A 29 -4.254 1.656 -1.414 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.992 1.274 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.193 0.331 -1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.284 0.035 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.940 2.879 -2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.726 2.066 -1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.590 4.315 -3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.649 3.810 -4.254 1.00 0.00 H new ATOM 412 N SER A 30 -3.340 -1.273 -4.199 1.00 0.00 N ATOM 413 CA SER A 30 -3.859 -2.607 -4.478 1.00 0.00 C ATOM 414 C SER A 30 -2.733 -3.555 -4.879 1.00 0.00 C ATOM 415 O SER A 30 -1.646 -3.120 -5.263 1.00 0.00 O ATOM 416 CB SER A 30 -4.909 -2.547 -5.589 1.00 0.00 C ATOM 417 OG SER A 30 -4.306 -2.318 -6.850 1.00 0.00 O ATOM 0 H SER A 30 -2.551 -0.996 -4.784 1.00 0.00 H new ATOM 0 HA SER A 30 -4.324 -2.986 -3.568 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.469 -3.482 -5.615 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.624 -1.753 -5.375 1.00 0.00 H new ATOM 0 HG SER A 30 -4.998 -2.286 -7.543 1.00 0.00 H new ATOM 423 N CYS A 31 -3.000 -4.853 -4.788 1.00 0.00 N ATOM 424 CA CYS A 31 -2.011 -5.865 -5.140 1.00 0.00 C ATOM 425 C CYS A 31 -2.484 -6.698 -6.327 1.00 0.00 C ATOM 426 O CYS A 31 -3.665 -7.023 -6.438 1.00 0.00 O ATOM 427 CB CYS A 31 -1.733 -6.775 -3.942 1.00 0.00 C ATOM 428 SG CYS A 31 -0.303 -7.881 -4.165 1.00 0.00 S ATOM 0 H CYS A 31 -3.894 -5.230 -4.473 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.090 -5.355 -5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.566 -6.156 -3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.619 -7.379 -3.745 1.00 0.00 H new ATOM 0 HG CYS A 31 0.694 -7.450 -3.451 1.00 0.00 H new ATOM 433 N GLU A 32 -1.552 -7.040 -7.212 1.00 0.00 N ATOM 434 CA GLU A 32 -1.875 -7.835 -8.391 1.00 0.00 C ATOM 435 C GLU A 32 -1.450 -9.289 -8.200 1.00 0.00 C ATOM 436 O GLU A 32 -1.747 -10.149 -9.029 1.00 0.00 O ATOM 437 CB GLU A 32 -1.191 -7.252 -9.629 1.00 0.00 C ATOM 438 CG GLU A 32 0.326 -7.256 -9.546 1.00 0.00 C ATOM 439 CD GLU A 32 0.985 -7.175 -10.910 1.00 0.00 C ATOM 440 OE1 GLU A 32 0.710 -8.051 -11.756 1.00 0.00 O ATOM 441 OE2 GLU A 32 1.776 -6.234 -11.130 1.00 0.00 O ATOM 0 H GLU A 32 -0.569 -6.779 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.955 -7.805 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.500 -7.821 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.536 -6.228 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.655 -6.414 -8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.656 -8.163 -9.040 1.00 0.00 H new ATOM 448 N THR A 33 -0.752 -9.556 -7.100 1.00 0.00 N ATOM 449 CA THR A 33 -0.285 -10.903 -6.800 1.00 0.00 C ATOM 450 C THR A 33 -1.390 -11.739 -6.164 1.00 0.00 C ATOM 451 O THR A 33 -1.751 -12.800 -6.674 1.00 0.00 O ATOM 452 CB THR A 33 0.932 -10.879 -5.856 1.00 0.00 C ATOM 453 OG1 THR A 33 2.027 -10.204 -6.486 1.00 0.00 O ATOM 454 CG2 THR A 33 1.351 -12.291 -5.476 1.00 0.00 C ATOM 0 H THR A 33 -0.498 -8.856 -6.402 1.00 0.00 H new ATOM 0 HA THR A 33 0.009 -11.354 -7.748 1.00 0.00 H new ATOM 0 HB THR A 33 0.650 -10.345 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.796 -10.191 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.212 -12.248 -4.809 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.525 -12.792 -4.971 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.616 -12.846 -6.376 1.00 0.00 H new ATOM 462 N CYS A 34 -1.924 -11.255 -5.048 1.00 0.00 N ATOM 463 CA CYS A 34 -2.989 -11.958 -4.342 1.00 0.00 C ATOM 464 C CYS A 34 -4.333 -11.269 -4.561 1.00 0.00 C ATOM 465 O CYS A 34 -5.341 -11.923 -4.825 1.00 0.00 O ATOM 466 CB CYS A 34 -2.677 -12.028 -2.846 1.00 0.00 C ATOM 467 SG CYS A 34 -2.417 -10.403 -2.064 1.00 0.00 S ATOM 0 H CYS A 34 -1.637 -10.378 -4.613 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.050 -12.970 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.496 -12.537 -2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.785 -12.637 -2.700 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.616 -9.690 -2.800 1.00 0.00 H new ATOM 472 N GLY A 35 -4.338 -9.944 -4.449 1.00 0.00 N ATOM 473 CA GLY A 35 -5.563 -9.189 -4.638 1.00 0.00 C ATOM 474 C GLY A 35 -6.057 -8.555 -3.353 1.00 0.00 C ATOM 475 O GLY A 35 -7.121 -8.912 -2.846 1.00 0.00 O ATOM 0 H GLY A 35 -3.516 -9.380 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.395 -8.411 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.335 -9.848 -5.034 1.00 0.00 H new ATOM 479 N ILE A 36 -5.283 -7.613 -2.824 1.00 0.00 N ATOM 480 CA ILE A 36 -5.649 -6.929 -1.589 1.00 0.00 C ATOM 481 C ILE A 36 -5.359 -5.435 -1.683 1.00 0.00 C ATOM 482 O ILE A 36 -4.351 -5.022 -2.256 1.00 0.00 O ATOM 483 CB ILE A 36 -4.896 -7.512 -0.379 1.00 0.00 C ATOM 484 CG1 ILE A 36 -3.386 -7.349 -0.563 1.00 0.00 C ATOM 485 CG2 ILE A 36 -5.257 -8.977 -0.186 1.00 0.00 C ATOM 486 CD1 ILE A 36 -2.841 -6.063 0.018 1.00 0.00 C ATOM 0 H ILE A 36 -4.399 -7.306 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.719 -7.081 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.195 -6.964 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.878 -8.193 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.152 -7.385 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.717 -9.375 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.329 -9.068 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.984 -9.540 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.765 -6.015 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.321 -5.213 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.043 -6.033 1.089 1.00 0.00 H new ATOM 498 N ARG A 37 -6.249 -4.629 -1.113 1.00 0.00 N ATOM 499 CA ARG A 37 -6.089 -3.180 -1.132 1.00 0.00 C ATOM 500 C ARG A 37 -5.684 -2.660 0.245 1.00 0.00 C ATOM 501 O ARG A 37 -5.958 -3.294 1.263 1.00 0.00 O ATOM 502 CB ARG A 37 -7.388 -2.507 -1.581 1.00 0.00 C ATOM 503 CG ARG A 37 -7.841 -2.924 -2.970 1.00 0.00 C ATOM 504 CD ARG A 37 -8.945 -2.019 -3.492 1.00 0.00 C ATOM 505 NE ARG A 37 -9.573 -2.558 -4.695 1.00 0.00 N ATOM 506 CZ ARG A 37 -10.702 -2.084 -5.210 1.00 0.00 C ATOM 507 NH1 ARG A 37 -11.323 -1.066 -4.631 1.00 0.00 N ATOM 508 NH2 ARG A 37 -11.211 -2.627 -6.308 1.00 0.00 N ATOM 0 H ARG A 37 -7.088 -4.955 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.298 -2.936 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.176 -2.743 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.253 -1.426 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.993 -2.896 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.196 -3.954 -2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.700 -1.886 -2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.533 -1.033 -3.709 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.120 -3.341 -5.166 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.934 -0.644 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.190 -0.704 -5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.735 -3.409 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.078 -2.262 -6.703 1.00 0.00 H new ATOM 522 N MET A 38 -5.031 -1.503 0.266 1.00 0.00 N ATOM 523 CA MET A 38 -4.590 -0.898 1.517 1.00 0.00 C ATOM 524 C MET A 38 -4.669 0.624 1.443 1.00 0.00 C ATOM 525 O MET A 38 -4.281 1.227 0.443 1.00 0.00 O ATOM 526 CB MET A 38 -3.158 -1.331 1.840 1.00 0.00 C ATOM 527 CG MET A 38 -2.997 -2.835 1.990 1.00 0.00 C ATOM 528 SD MET A 38 -1.381 -3.418 1.443 1.00 0.00 S ATOM 529 CE MET A 38 -0.417 -3.195 2.936 1.00 0.00 C ATOM 0 H MET A 38 -4.796 -0.966 -0.569 1.00 0.00 H new ATOM 0 HA MET A 38 -5.254 -1.240 2.311 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.494 -0.980 1.050 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.840 -0.846 2.763 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.144 -3.110 3.035 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.774 -3.339 1.416 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.562 -3.657 2.809 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.293 -2.130 3.133 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.933 -3.662 3.775 1.00 0.00 H new ATOM 539 N HIS A 39 -5.174 1.238 2.509 1.00 0.00 N ATOM 540 CA HIS A 39 -5.303 2.690 2.564 1.00 0.00 C ATOM 541 C HIS A 39 -3.954 3.365 2.336 1.00 0.00 C ATOM 542 O HIS A 39 -2.914 2.705 2.312 1.00 0.00 O ATOM 543 CB HIS A 39 -5.880 3.120 3.913 1.00 0.00 C ATOM 544 CG HIS A 39 -7.337 2.808 4.068 1.00 0.00 C ATOM 545 ND1 HIS A 39 -7.800 1.607 4.563 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.436 3.548 3.793 1.00 0.00 C ATOM 547 CE1 HIS A 39 -9.121 1.621 4.583 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.532 2.789 4.122 1.00 0.00 N ATOM 0 H HIS A 39 -5.500 0.753 3.345 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.983 3.000 1.770 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.324 2.627 4.710 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.731 4.193 4.037 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -7.214 0.829 4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.449 4.550 3.390 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.757 0.815 4.919 1.00 0.00 H new ATOM 556 N LEU A 40 -3.978 4.682 2.168 1.00 0.00 N ATOM 557 CA LEU A 40 -2.757 5.447 1.941 1.00 0.00 C ATOM 558 C LEU A 40 -1.840 5.384 3.158 1.00 0.00 C ATOM 559 O LEU A 40 -0.688 4.958 3.078 1.00 0.00 O ATOM 560 CB LEU A 40 -3.096 6.903 1.618 1.00 0.00 C ATOM 561 CG LEU A 40 -3.218 7.251 0.134 1.00 0.00 C ATOM 562 CD1 LEU A 40 -1.863 7.156 -0.550 1.00 0.00 C ATOM 563 CD2 LEU A 40 -4.226 6.337 -0.547 1.00 0.00 C ATOM 0 H LEU A 40 -4.830 5.243 2.185 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.234 5.006 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.037 7.153 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.329 7.540 2.058 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.573 8.278 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.970 7.407 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.168 7.852 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.478 6.141 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.300 6.599 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.900 5.301 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.201 6.455 -0.075 1.00 0.00 H new ATOM 575 N PRO A 41 -2.363 5.816 4.315 1.00 0.00 N ATOM 576 CA PRO A 41 -1.610 5.817 5.573 1.00 0.00 C ATOM 577 C PRO A 41 -1.360 4.407 6.099 1.00 0.00 C ATOM 578 O PRO A 41 -0.519 4.201 6.975 1.00 0.00 O ATOM 579 CB PRO A 41 -2.519 6.592 6.530 1.00 0.00 C ATOM 580 CG PRO A 41 -3.891 6.413 5.978 1.00 0.00 C ATOM 581 CD PRO A 41 -3.730 6.338 4.485 1.00 0.00 C ATOM 0 HA PRO A 41 -0.619 6.256 5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.447 6.203 7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.243 7.646 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.353 5.505 6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.537 7.245 6.260 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.471 5.678 4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.848 7.316 4.018 1.00 0.00 H new ATOM 589 N CYS A 42 -2.096 3.441 5.561 1.00 0.00 N ATOM 590 CA CYS A 42 -1.954 2.050 5.976 1.00 0.00 C ATOM 591 C CYS A 42 -0.803 1.376 5.235 1.00 0.00 C ATOM 592 O CYS A 42 -0.086 0.550 5.800 1.00 0.00 O ATOM 593 CB CYS A 42 -3.255 1.286 5.723 1.00 0.00 C ATOM 594 SG CYS A 42 -4.570 1.634 6.934 1.00 0.00 S ATOM 0 H CYS A 42 -2.797 3.595 4.836 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.733 2.036 7.043 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.620 1.532 4.726 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.043 0.217 5.730 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.693 1.133 6.511 1.00 0.00 H new ATOM 599 N VAL A 43 -0.631 1.735 3.967 1.00 0.00 N ATOM 600 CA VAL A 43 0.433 1.166 3.149 1.00 0.00 C ATOM 601 C VAL A 43 1.798 1.688 3.583 1.00 0.00 C ATOM 602 O VAL A 43 2.768 0.933 3.657 1.00 0.00 O ATOM 603 CB VAL A 43 0.225 1.486 1.656 1.00 0.00 C ATOM 604 CG1 VAL A 43 1.369 0.925 0.826 1.00 0.00 C ATOM 605 CG2 VAL A 43 -1.111 0.940 1.176 1.00 0.00 C ATOM 0 H VAL A 43 -1.215 2.418 3.484 1.00 0.00 H new ATOM 0 HA VAL A 43 0.398 0.086 3.290 1.00 0.00 H new ATOM 0 HB VAL A 43 0.215 2.569 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.205 1.161 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.309 1.368 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.414 -0.157 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.242 1.175 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.132 -0.141 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.918 1.395 1.751 1.00 0.00 H new ATOM 615 N ALA A 44 1.867 2.984 3.871 1.00 0.00 N ATOM 616 CA ALA A 44 3.113 3.606 4.301 1.00 0.00 C ATOM 617 C ALA A 44 3.538 3.093 5.672 1.00 0.00 C ATOM 618 O ALA A 44 4.702 2.753 5.886 1.00 0.00 O ATOM 619 CB ALA A 44 2.966 5.120 4.324 1.00 0.00 C ATOM 0 H ALA A 44 1.074 3.623 3.814 1.00 0.00 H new ATOM 0 HA ALA A 44 3.890 3.338 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.904 5.572 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.717 5.477 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.172 5.398 5.017 1.00 0.00 H new ATOM 625 N LYS A 45 2.587 3.040 6.599 1.00 0.00 N ATOM 626 CA LYS A 45 2.862 2.568 7.951 1.00 0.00 C ATOM 627 C LYS A 45 3.523 1.193 7.924 1.00 0.00 C ATOM 628 O LYS A 45 4.340 0.869 8.786 1.00 0.00 O ATOM 629 CB LYS A 45 1.568 2.508 8.766 1.00 0.00 C ATOM 630 CG LYS A 45 1.295 3.769 9.567 1.00 0.00 C ATOM 631 CD LYS A 45 -0.189 3.944 9.842 1.00 0.00 C ATOM 632 CE LYS A 45 -0.594 3.290 11.155 1.00 0.00 C ATOM 633 NZ LYS A 45 -2.044 2.952 11.183 1.00 0.00 N ATOM 0 H LYS A 45 1.619 3.318 6.438 1.00 0.00 H new ATOM 0 HA LYS A 45 3.548 3.272 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.731 2.328 8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.616 1.658 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.838 3.726 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.670 4.636 9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.431 5.006 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.765 3.510 9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.007 2.384 11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.362 3.961 11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.280 2.509 12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.605 3.820 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.261 2.291 10.410 1.00 0.00 H new ATOM 647 N TYR A 46 3.164 0.390 6.928 1.00 0.00 N ATOM 648 CA TYR A 46 3.721 -0.951 6.790 1.00 0.00 C ATOM 649 C TYR A 46 5.049 -0.914 6.039 1.00 0.00 C ATOM 650 O TYR A 46 5.846 -1.848 6.117 1.00 0.00 O ATOM 651 CB TYR A 46 2.735 -1.863 6.059 1.00 0.00 C ATOM 652 CG TYR A 46 2.916 -3.329 6.378 1.00 0.00 C ATOM 653 CD1 TYR A 46 2.492 -3.854 7.592 1.00 0.00 C ATOM 654 CD2 TYR A 46 3.510 -4.191 5.464 1.00 0.00 C ATOM 655 CE1 TYR A 46 2.656 -5.194 7.887 1.00 0.00 C ATOM 656 CE2 TYR A 46 3.678 -5.532 5.750 1.00 0.00 C ATOM 657 CZ TYR A 46 3.249 -6.028 6.963 1.00 0.00 C ATOM 658 OH TYR A 46 3.413 -7.364 7.253 1.00 0.00 O ATOM 0 H TYR A 46 2.491 0.644 6.205 1.00 0.00 H new ATOM 0 HA TYR A 46 3.900 -1.347 7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.718 -1.566 6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.846 -1.717 4.985 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.026 -3.204 8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.846 -3.806 4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.321 -5.586 8.836 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.142 -6.188 5.028 1.00 0.00 H new ATOM 0 HH TYR A 46 3.846 -7.812 6.497 1.00 0.00 H new ATOM 668 N PHE A 47 5.279 0.174 5.311 1.00 0.00 N ATOM 669 CA PHE A 47 6.510 0.335 4.545 1.00 0.00 C ATOM 670 C PHE A 47 7.228 1.624 4.933 1.00 0.00 C ATOM 671 O PHE A 47 7.887 2.252 4.105 1.00 0.00 O ATOM 672 CB PHE A 47 6.205 0.339 3.045 1.00 0.00 C ATOM 673 CG PHE A 47 5.520 -0.910 2.569 1.00 0.00 C ATOM 674 CD1 PHE A 47 5.990 -2.159 2.942 1.00 0.00 C ATOM 675 CD2 PHE A 47 4.406 -0.835 1.748 1.00 0.00 C ATOM 676 CE1 PHE A 47 5.361 -3.310 2.506 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.773 -1.983 1.309 1.00 0.00 C ATOM 678 CZ PHE A 47 4.252 -3.222 1.688 1.00 0.00 C ATOM 0 H PHE A 47 4.630 0.957 5.235 1.00 0.00 H new ATOM 0 HA PHE A 47 7.164 -0.507 4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.577 1.199 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.137 0.466 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.858 -2.234 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.028 0.131 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.737 -4.277 2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.905 -1.911 0.670 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.760 -4.120 1.345 1.00 0.00 H new ATOM 688 N GLN A 48 7.093 2.012 6.197 1.00 0.00 N ATOM 689 CA GLN A 48 7.728 3.226 6.695 1.00 0.00 C ATOM 690 C GLN A 48 9.174 3.319 6.220 1.00 0.00 C ATOM 691 O GLN A 48 10.022 2.523 6.623 1.00 0.00 O ATOM 692 CB GLN A 48 7.677 3.264 8.223 1.00 0.00 C ATOM 693 CG GLN A 48 7.566 4.669 8.794 1.00 0.00 C ATOM 694 CD GLN A 48 8.918 5.304 9.047 1.00 0.00 C ATOM 695 OE1 GLN A 48 9.498 5.150 10.123 1.00 0.00 O ATOM 696 NE2 GLN A 48 9.430 6.024 8.056 1.00 0.00 N ATOM 0 H GLN A 48 6.550 1.503 6.895 1.00 0.00 H new ATOM 0 HA GLN A 48 7.180 4.081 6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.827 2.674 8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.574 2.789 8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.999 5.294 8.104 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.005 4.634 9.728 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.916 6.126 7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.338 6.475 8.170 1.00 0.00 H new ATOM 755 N PRO A 53 9.559 -3.158 -0.260 1.00 0.00 N ATOM 756 CA PRO A 53 8.179 -3.344 0.196 1.00 0.00 C ATOM 757 C PRO A 53 7.622 -4.712 -0.184 1.00 0.00 C ATOM 758 O PRO A 53 7.637 -5.095 -1.354 1.00 0.00 O ATOM 759 CB PRO A 53 7.413 -2.235 -0.529 1.00 0.00 C ATOM 760 CG PRO A 53 8.224 -1.947 -1.745 1.00 0.00 C ATOM 761 CD PRO A 53 9.657 -2.173 -1.350 1.00 0.00 C ATOM 0 HA PRO A 53 8.099 -3.296 1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.405 -2.557 -0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.311 -1.349 0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.938 -2.601 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.069 -0.923 -2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.248 -2.553 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.132 -1.250 -1.016 1.00 0.00 H new ATOM 769 N ARG A 54 7.131 -5.443 0.811 1.00 0.00 N ATOM 770 CA ARG A 54 6.570 -6.769 0.580 1.00 0.00 C ATOM 771 C ARG A 54 5.107 -6.823 1.010 1.00 0.00 C ATOM 772 O ARG A 54 4.750 -6.359 2.093 1.00 0.00 O ATOM 773 CB ARG A 54 7.375 -7.826 1.338 1.00 0.00 C ATOM 774 CG ARG A 54 8.720 -8.140 0.702 1.00 0.00 C ATOM 775 CD ARG A 54 8.607 -9.264 -0.315 1.00 0.00 C ATOM 776 NE ARG A 54 9.791 -9.356 -1.164 1.00 0.00 N ATOM 777 CZ ARG A 54 10.895 -10.008 -0.817 1.00 0.00 C ATOM 778 NH1 ARG A 54 10.966 -10.623 0.356 1.00 0.00 N ATOM 779 NH2 ARG A 54 11.932 -10.046 -1.644 1.00 0.00 N ATOM 0 H ARG A 54 7.110 -5.140 1.785 1.00 0.00 H new ATOM 0 HA ARG A 54 6.625 -6.978 -0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.537 -7.483 2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.788 -8.743 1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.111 -7.246 0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.434 -8.420 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.460 -10.210 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.727 -9.103 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 54 9.769 -8.894 -2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.171 -10.596 0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.815 -11.123 0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.882 -9.574 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.779 -10.547 -1.377 1.00 0.00 H new ATOM 793 N CYS A 55 4.265 -7.391 0.154 1.00 0.00 N ATOM 794 CA CYS A 55 2.840 -7.505 0.444 1.00 0.00 C ATOM 795 C CYS A 55 2.607 -8.315 1.716 1.00 0.00 C ATOM 796 O CYS A 55 3.100 -9.433 1.870 1.00 0.00 O ATOM 797 CB CYS A 55 2.110 -8.160 -0.731 1.00 0.00 C ATOM 798 SG CYS A 55 0.294 -8.083 -0.614 1.00 0.00 S ATOM 0 H CYS A 55 4.544 -7.780 -0.747 1.00 0.00 H new ATOM 0 HA CYS A 55 2.444 -6.501 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.425 -7.676 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.415 -9.204 -0.798 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.216 -8.020 -1.808 1.00 0.00 H new ATOM 803 N PRO A 56 1.837 -7.738 2.651 1.00 0.00 N ATOM 804 CA PRO A 56 1.520 -8.388 3.926 1.00 0.00 C ATOM 805 C PRO A 56 0.586 -9.581 3.753 1.00 0.00 C ATOM 806 O PRO A 56 0.134 -10.176 4.731 1.00 0.00 O ATOM 807 CB PRO A 56 0.831 -7.281 4.727 1.00 0.00 C ATOM 808 CG PRO A 56 0.263 -6.366 3.697 1.00 0.00 C ATOM 809 CD PRO A 56 1.217 -6.408 2.535 1.00 0.00 C ATOM 0 HA PRO A 56 2.410 -8.792 4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.050 -7.686 5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.538 -6.760 5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.734 -6.688 3.396 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.166 -5.352 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.698 -6.288 1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.959 -5.612 2.595 1.00 0.00 H new ATOM 817 N HIS A 57 0.301 -9.926 2.501 1.00 0.00 N ATOM 818 CA HIS A 57 -0.579 -11.050 2.199 1.00 0.00 C ATOM 819 C HIS A 57 0.183 -12.158 1.479 1.00 0.00 C ATOM 820 O HIS A 57 0.298 -13.276 1.984 1.00 0.00 O ATOM 821 CB HIS A 57 -1.758 -10.586 1.343 1.00 0.00 C ATOM 822 CG HIS A 57 -2.807 -11.637 1.150 1.00 0.00 C ATOM 823 ND1 HIS A 57 -2.929 -12.604 0.211 1.00 0.00 N flip ATOM 824 CD2 HIS A 57 -3.898 -11.773 1.982 1.00 0.00 C flip ATOM 825 CE1 HIS A 57 -4.079 -13.300 0.490 1.00 0.00 C flip ATOM 826 NE2 HIS A 57 -4.645 -12.779 1.564 1.00 0.00 N flip ATOM 0 H HIS A 57 0.666 -9.444 1.680 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.958 -11.447 3.141 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.213 -9.712 1.809 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.387 -10.271 0.368 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.109 -11.154 2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.459 -14.137 -0.076 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.511 -13.099 1.997 1.00 0.00 H new ATOM 834 N CYS A 58 0.700 -11.843 0.297 1.00 0.00 N ATOM 835 CA CYS A 58 1.449 -12.812 -0.494 1.00 0.00 C ATOM 836 C CYS A 58 2.944 -12.713 -0.201 1.00 0.00 C ATOM 837 O CYS A 58 3.689 -13.672 -0.397 1.00 0.00 O ATOM 838 CB CYS A 58 1.196 -12.589 -1.986 1.00 0.00 C ATOM 839 SG CYS A 58 1.518 -10.887 -2.549 1.00 0.00 S ATOM 0 H CYS A 58 0.614 -10.923 -0.135 1.00 0.00 H new ATOM 0 HA CYS A 58 1.107 -13.810 -0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.824 -13.274 -2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.160 -12.845 -2.210 1.00 0.00 H new ATOM 0 HG CYS A 58 0.885 -10.049 -1.783 1.00 0.00 H new ATOM 844 N ASN A 59 3.373 -11.547 0.271 1.00 0.00 N ATOM 845 CA ASN A 59 4.778 -11.323 0.591 1.00 0.00 C ATOM 846 C ASN A 59 5.619 -11.238 -0.679 1.00 0.00 C ATOM 847 O ASN A 59 6.724 -11.777 -0.742 1.00 0.00 O ATOM 848 CB ASN A 59 5.303 -12.445 1.489 1.00 0.00 C ATOM 849 CG ASN A 59 6.660 -12.122 2.085 1.00 0.00 C ATOM 850 OD1 ASN A 59 7.695 -12.523 1.554 1.00 0.00 O ATOM 851 ND2 ASN A 59 6.659 -11.393 3.195 1.00 0.00 N ATOM 0 H ASN A 59 2.768 -10.743 0.440 1.00 0.00 H new ATOM 0 HA ASN A 59 4.857 -10.374 1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.590 -12.627 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.373 -13.366 0.911 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.541 -11.144 3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.776 -11.082 3.600 1.00 0.00 H new ATOM 858 N ASP A 60 5.088 -10.558 -1.689 1.00 0.00 N ATOM 859 CA ASP A 60 5.789 -10.400 -2.958 1.00 0.00 C ATOM 860 C ASP A 60 6.077 -8.929 -3.240 1.00 0.00 C ATOM 861 O ASP A 60 5.286 -8.052 -2.889 1.00 0.00 O ATOM 862 CB ASP A 60 4.965 -10.999 -4.098 1.00 0.00 C ATOM 863 CG ASP A 60 4.971 -12.515 -4.082 1.00 0.00 C ATOM 864 OD1 ASP A 60 4.136 -13.104 -3.364 1.00 0.00 O ATOM 865 OD2 ASP A 60 5.810 -13.112 -4.789 1.00 0.00 O ATOM 0 H ASP A 60 4.174 -10.107 -1.654 1.00 0.00 H new ATOM 0 HA ASP A 60 6.739 -10.931 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.938 -10.642 -4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.359 -10.647 -5.051 1.00 0.00 H new ATOM 870 N TYR A 61 7.214 -8.665 -3.874 1.00 0.00 N ATOM 871 CA TYR A 61 7.608 -7.299 -4.201 1.00 0.00 C ATOM 872 C TYR A 61 6.394 -6.459 -4.586 1.00 0.00 C ATOM 873 O TYR A 61 5.593 -6.857 -5.431 1.00 0.00 O ATOM 874 CB TYR A 61 8.626 -7.299 -5.343 1.00 0.00 C ATOM 875 CG TYR A 61 8.891 -5.926 -5.917 1.00 0.00 C ATOM 876 CD1 TYR A 61 8.050 -5.377 -6.877 1.00 0.00 C ATOM 877 CD2 TYR A 61 9.984 -5.176 -5.498 1.00 0.00 C ATOM 878 CE1 TYR A 61 8.290 -4.123 -7.404 1.00 0.00 C ATOM 879 CE2 TYR A 61 10.230 -3.921 -6.019 1.00 0.00 C ATOM 880 CZ TYR A 61 9.381 -3.399 -6.972 1.00 0.00 C ATOM 881 OH TYR A 61 9.622 -2.149 -7.494 1.00 0.00 O ATOM 0 H TYR A 61 7.879 -9.379 -4.172 1.00 0.00 H new ATOM 0 HA TYR A 61 8.066 -6.858 -3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.564 -7.720 -4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.268 -7.953 -6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.194 -5.941 -7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.652 -5.582 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.627 -3.712 -8.150 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.083 -3.351 -5.682 1.00 0.00 H new ATOM 0 HH TYR A 61 10.428 -1.773 -7.083 1.00 0.00 H new ATOM 891 N TRP A 62 6.267 -5.295 -3.960 1.00 0.00 N ATOM 892 CA TRP A 62 5.152 -4.397 -4.237 1.00 0.00 C ATOM 893 C TRP A 62 5.176 -3.929 -5.688 1.00 0.00 C ATOM 894 O TRP A 62 6.112 -3.267 -6.136 1.00 0.00 O ATOM 895 CB TRP A 62 5.197 -3.189 -3.298 1.00 0.00 C ATOM 896 CG TRP A 62 3.863 -2.533 -3.110 1.00 0.00 C ATOM 897 CD1 TRP A 62 3.563 -1.215 -3.307 1.00 0.00 C ATOM 898 CD2 TRP A 62 2.650 -3.163 -2.685 1.00 0.00 C ATOM 899 NE1 TRP A 62 2.236 -0.989 -3.031 1.00 0.00 N ATOM 900 CE2 TRP A 62 1.654 -2.168 -2.648 1.00 0.00 C ATOM 901 CE3 TRP A 62 2.308 -4.472 -2.334 1.00 0.00 C ATOM 902 CZ2 TRP A 62 0.342 -2.442 -2.272 1.00 0.00 C ATOM 903 CZ3 TRP A 62 1.005 -4.742 -1.962 1.00 0.00 C ATOM 904 CH2 TRP A 62 0.034 -3.732 -1.934 1.00 0.00 C ATOM 0 H TRP A 62 6.922 -4.951 -3.258 1.00 0.00 H new ATOM 0 HA TRP A 62 4.226 -4.946 -4.068 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.578 -3.506 -2.327 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.901 -2.457 -3.693 1.00 0.00 H new ATOM 0 HD1 TRP A 62 4.265 -0.462 -3.632 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.761 -0.089 -3.100 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.049 -5.258 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.407 -1.664 -2.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.730 -5.750 -1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.976 -3.976 -1.640 1.00 0.00 H new ATOM 915 N PRO A 63 4.124 -4.280 -6.442 1.00 0.00 N ATOM 916 CA PRO A 63 4.002 -3.906 -7.854 1.00 0.00 C ATOM 917 C PRO A 63 3.760 -2.412 -8.038 1.00 0.00 C ATOM 918 O PRO A 63 3.820 -1.896 -9.155 1.00 0.00 O ATOM 919 CB PRO A 63 2.787 -4.707 -8.329 1.00 0.00 C ATOM 920 CG PRO A 63 1.982 -4.941 -7.097 1.00 0.00 C ATOM 921 CD PRO A 63 2.972 -5.069 -5.973 1.00 0.00 C ATOM 0 HA PRO A 63 4.914 -4.117 -8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.216 -4.155 -9.076 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.089 -5.648 -8.790 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.293 -4.115 -6.918 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.379 -5.844 -7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.571 -4.678 -5.038 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.244 -6.109 -5.793 1.00 0.00 H new ATOM 929 N HIS A 64 3.486 -1.720 -6.937 1.00 0.00 N ATOM 930 CA HIS A 64 3.237 -0.284 -6.978 1.00 0.00 C ATOM 931 C HIS A 64 4.265 0.470 -6.140 1.00 0.00 C ATOM 932 O HIS A 64 5.194 -0.126 -5.597 1.00 0.00 O ATOM 933 CB HIS A 64 1.826 0.024 -6.474 1.00 0.00 C ATOM 934 CG HIS A 64 1.215 1.235 -7.109 1.00 0.00 C ATOM 935 ND1 HIS A 64 0.353 2.154 -6.615 1.00 0.00 N flip ATOM 936 CD2 HIS A 64 1.470 1.612 -8.411 1.00 0.00 C flip ATOM 937 CE1 HIS A 64 0.107 3.061 -7.616 1.00 0.00 C flip ATOM 938 NE2 HIS A 64 0.793 2.711 -8.689 1.00 0.00 N flip ATOM 0 H HIS A 64 3.431 -2.131 -6.005 1.00 0.00 H new ATOM 0 HA HIS A 64 3.326 0.046 -8.013 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.185 -0.837 -6.663 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.858 0.167 -5.394 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.122 1.090 -9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.542 3.921 -7.539 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.799 3.206 -9.581 1.00 0.00 H new ATOM 946 N GLU A 65 4.092 1.785 -6.042 1.00 0.00 N ATOM 947 CA GLU A 65 5.007 2.620 -5.272 1.00 0.00 C ATOM 948 C GLU A 65 4.482 2.839 -3.856 1.00 0.00 C ATOM 949 O GLU A 65 3.331 2.522 -3.553 1.00 0.00 O ATOM 950 CB GLU A 65 5.209 3.968 -5.967 1.00 0.00 C ATOM 951 CG GLU A 65 3.946 4.809 -6.043 1.00 0.00 C ATOM 952 CD GLU A 65 4.068 5.957 -7.027 1.00 0.00 C ATOM 953 OE1 GLU A 65 4.799 5.806 -8.027 1.00 0.00 O ATOM 954 OE2 GLU A 65 3.430 7.006 -6.796 1.00 0.00 O ATOM 0 H GLU A 65 3.328 2.294 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 65 5.965 2.104 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.978 4.529 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.581 3.794 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.108 4.175 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.718 5.206 -5.054 1.00 0.00 H new ATOM 961 N ILE A 66 5.334 3.382 -2.993 1.00 0.00 N ATOM 962 CA ILE A 66 4.957 3.643 -1.610 1.00 0.00 C ATOM 963 C ILE A 66 4.462 5.075 -1.436 1.00 0.00 C ATOM 964 O ILE A 66 5.090 6.034 -1.886 1.00 0.00 O ATOM 965 CB ILE A 66 6.136 3.400 -0.649 1.00 0.00 C ATOM 966 CG1 ILE A 66 6.760 2.027 -0.910 1.00 0.00 C ATOM 967 CG2 ILE A 66 5.674 3.512 0.796 1.00 0.00 C ATOM 968 CD1 ILE A 66 5.842 0.873 -0.574 1.00 0.00 C ATOM 0 H ILE A 66 6.290 3.650 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 66 4.152 2.950 -1.367 1.00 0.00 H new ATOM 0 HB ILE A 66 6.894 4.163 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.045 1.960 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.675 1.935 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.519 3.338 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.272 4.509 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.900 2.769 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.349 -0.069 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.577 0.915 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.937 0.940 -1.178 1.00 0.00 H new ATOM 980 N PRO A 67 3.310 5.226 -0.767 1.00 0.00 N ATOM 981 CA PRO A 67 2.706 6.538 -0.516 1.00 0.00 C ATOM 982 C PRO A 67 3.508 7.364 0.483 1.00 0.00 C ATOM 983 O PRO A 67 4.589 6.960 0.913 1.00 0.00 O ATOM 984 CB PRO A 67 1.330 6.191 0.059 1.00 0.00 C ATOM 985 CG PRO A 67 1.501 4.838 0.659 1.00 0.00 C ATOM 986 CD PRO A 67 2.508 4.127 -0.203 1.00 0.00 C ATOM 0 HA PRO A 67 2.665 7.147 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.018 6.920 0.807 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.566 6.186 -0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.850 4.909 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.554 4.298 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.121 3.440 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.025 3.540 -0.984 1.00 0.00 H new ATOM 994 N LYS A 68 2.973 8.523 0.850 1.00 0.00 N ATOM 995 CA LYS A 68 3.637 9.407 1.801 1.00 0.00 C ATOM 996 C LYS A 68 2.629 10.030 2.761 1.00 0.00 C ATOM 997 O LYS A 68 1.628 10.607 2.336 1.00 0.00 O ATOM 998 CB LYS A 68 4.399 10.507 1.059 1.00 0.00 C ATOM 999 CG LYS A 68 4.942 11.593 1.972 1.00 0.00 C ATOM 1000 CD LYS A 68 5.888 12.523 1.232 1.00 0.00 C ATOM 1001 CE LYS A 68 5.127 13.548 0.404 1.00 0.00 C ATOM 1002 NZ LYS A 68 6.036 14.572 -0.182 1.00 0.00 N ATOM 0 H LYS A 68 2.080 8.873 0.503 1.00 0.00 H new ATOM 0 HA LYS A 68 4.343 8.812 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.227 10.057 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.738 10.961 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.114 12.169 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.464 11.135 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.530 13.036 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.539 11.939 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.588 13.041 -0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.382 14.039 1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.480 15.252 -0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.532 15.074 0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.732 14.106 -0.799 1.00 0.00 H new