USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 38 THR OG1 : rot 70:sc= -1.01 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -125:sc= -0.496 (180deg=-3.15!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 17 HIS : no HE2:sc= -0.521 K(o=-0.52,f=-1.7) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.18) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00136 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.0347 (180deg=-0.823) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.0938 USER MOD Single : A 51 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.49) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.63) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.66) USER MOD Single : A 70 THR OG1 : rot -52:sc= 0.714 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 78 MET CE :methyl 154:sc= -0.106 (180deg=-2.03) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 -0.100 12.687 -14.411 1.00 0.00 N ATOM 217 CA ASN A 15 -1.441 12.430 -13.898 1.00 0.00 C ATOM 218 C ASN A 15 -1.517 12.724 -12.403 1.00 0.00 C ATOM 219 O ASN A 15 -2.181 13.670 -11.979 1.00 0.00 O ATOM 220 CB ASN A 15 -1.841 10.978 -14.165 1.00 0.00 C ATOM 221 CG ASN A 15 -1.385 10.493 -15.528 1.00 0.00 C ATOM 222 OD1 ASN A 15 -1.510 11.203 -16.525 1.00 0.00 O ATOM 223 ND2 ASN A 15 -0.852 9.277 -15.575 1.00 0.00 N ATOM 0 HA ASN A 15 -2.135 13.092 -14.416 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.413 10.338 -13.393 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.924 10.883 -14.093 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.526 8.897 -16.464 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.768 8.724 -14.722 1.00 0.00 H new ATOM 230 N ASP A 16 -0.833 11.907 -11.610 1.00 0.00 N ATOM 231 CA ASP A 16 -0.822 12.080 -10.162 1.00 0.00 C ATOM 232 C ASP A 16 0.303 11.268 -9.527 1.00 0.00 C ATOM 233 O ASP A 16 0.903 10.408 -10.172 1.00 0.00 O ATOM 234 CB ASP A 16 -2.168 11.664 -9.566 1.00 0.00 C ATOM 235 CG ASP A 16 -3.035 12.854 -9.208 1.00 0.00 C ATOM 236 OD1 ASP A 16 -2.509 13.809 -8.599 1.00 0.00 O ATOM 237 OD2 ASP A 16 -4.240 12.831 -9.536 1.00 0.00 O ATOM 0 H ASP A 16 -0.279 11.119 -11.945 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.650 13.135 -9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.698 11.033 -10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.996 11.062 -8.674 1.00 0.00 H new ATOM 242 N HIS A 17 0.584 11.547 -8.258 1.00 0.00 N ATOM 243 CA HIS A 17 1.637 10.843 -7.535 1.00 0.00 C ATOM 244 C HIS A 17 1.459 10.999 -6.028 1.00 0.00 C ATOM 245 O HIS A 17 1.515 12.110 -5.499 1.00 0.00 O ATOM 246 CB HIS A 17 3.011 11.365 -7.955 1.00 0.00 C ATOM 247 CG HIS A 17 4.133 10.847 -7.110 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.637 11.533 -6.026 1.00 0.00 N ATOM 249 CD2 HIS A 17 4.849 9.701 -7.195 1.00 0.00 C ATOM 250 CE1 HIS A 17 5.615 10.832 -5.480 1.00 0.00 C ATOM 251 NE2 HIS A 17 5.763 9.716 -6.171 1.00 0.00 N ATOM 0 H HIS A 17 0.097 12.256 -7.709 1.00 0.00 H new ATOM 0 HA HIS A 17 1.568 9.784 -7.784 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.193 11.090 -8.994 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.006 12.454 -7.910 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.307 12.440 -5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.724 8.921 -7.931 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.195 11.122 -4.616 1.00 0.00 H new ATOM 259 N ILE A 18 1.245 9.881 -5.343 1.00 0.00 N ATOM 260 CA ILE A 18 1.060 9.895 -3.897 1.00 0.00 C ATOM 261 C ILE A 18 2.070 8.986 -3.205 1.00 0.00 C ATOM 262 O ILE A 18 2.910 8.366 -3.855 1.00 0.00 O ATOM 263 CB ILE A 18 -0.363 9.453 -3.507 1.00 0.00 C ATOM 264 CG1 ILE A 18 -0.512 7.939 -3.671 1.00 0.00 C ATOM 265 CG2 ILE A 18 -1.395 10.186 -4.350 1.00 0.00 C ATOM 266 CD1 ILE A 18 -1.897 7.429 -3.338 1.00 0.00 C ATOM 0 H ILE A 18 1.195 8.954 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 18 1.215 10.923 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.532 9.705 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.271 7.667 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.214 7.439 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.396 9.863 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.300 11.260 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.230 9.961 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.930 6.348 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.134 7.669 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.627 7.901 -3.996 1.00 0.00 H new ATOM 278 N ASN A 19 1.981 8.912 -1.881 1.00 0.00 N ATOM 279 CA ASN A 19 2.887 8.077 -1.099 1.00 0.00 C ATOM 280 C ASN A 19 2.107 7.127 -0.195 1.00 0.00 C ATOM 281 O ASN A 19 1.189 7.541 0.514 1.00 0.00 O ATOM 282 CB ASN A 19 3.819 8.950 -0.257 1.00 0.00 C ATOM 283 CG ASN A 19 5.202 8.345 -0.111 1.00 0.00 C ATOM 284 OD1 ASN A 19 6.133 8.717 -0.825 1.00 0.00 O ATOM 285 ND2 ASN A 19 5.342 7.408 0.819 1.00 0.00 N ATOM 0 H ASN A 19 1.291 9.420 -1.327 1.00 0.00 H new ATOM 0 HA ASN A 19 3.483 7.483 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.903 9.935 -0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.383 9.095 0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.249 6.965 0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.542 7.131 1.388 1.00 0.00 H new ATOM 292 N LEU A 20 2.480 5.852 -0.224 1.00 0.00 N ATOM 293 CA LEU A 20 1.817 4.842 0.593 1.00 0.00 C ATOM 294 C LEU A 20 2.834 3.884 1.204 1.00 0.00 C ATOM 295 O LEU A 20 3.901 3.648 0.638 1.00 0.00 O ATOM 296 CB LEU A 20 0.804 4.062 -0.247 1.00 0.00 C ATOM 297 CG LEU A 20 -0.070 4.893 -1.186 1.00 0.00 C ATOM 298 CD1 LEU A 20 0.328 4.657 -2.635 1.00 0.00 C ATOM 299 CD2 LEU A 20 -1.541 4.565 -0.975 1.00 0.00 C ATOM 0 H LEU A 20 3.238 5.493 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 20 1.293 5.351 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.345 3.327 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.152 3.508 0.428 1.00 0.00 H new ATOM 0 HG LEU A 20 0.084 5.947 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.305 5.257 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.370 4.943 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.205 3.602 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.148 5.166 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.711 3.507 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.819 4.786 0.055 1.00 0.00 H new ATOM 311 N LYS A 21 2.494 3.330 2.364 1.00 0.00 N ATOM 312 CA LYS A 21 3.375 2.394 3.052 1.00 0.00 C ATOM 313 C LYS A 21 2.575 1.255 3.677 1.00 0.00 C ATOM 314 O LYS A 21 1.857 1.452 4.657 1.00 0.00 O ATOM 315 CB LYS A 21 4.180 3.119 4.133 1.00 0.00 C ATOM 316 CG LYS A 21 4.753 4.449 3.675 1.00 0.00 C ATOM 317 CD LYS A 21 5.465 5.169 4.808 1.00 0.00 C ATOM 318 CE LYS A 21 4.496 5.569 5.909 1.00 0.00 C ATOM 319 NZ LYS A 21 5.167 6.360 6.978 1.00 0.00 N ATOM 0 H LYS A 21 1.614 3.514 2.847 1.00 0.00 H new ATOM 0 HA LYS A 21 4.062 1.973 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.540 3.288 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.996 2.475 4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.450 4.282 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.951 5.079 3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.240 4.523 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.963 6.057 4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.682 6.154 5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.051 4.674 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.473 6.613 7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.928 5.793 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.570 7.227 6.568 1.00 0.00 H new ATOM 333 N VAL A 22 2.706 0.062 3.104 1.00 0.00 N ATOM 334 CA VAL A 22 1.998 -1.109 3.607 1.00 0.00 C ATOM 335 C VAL A 22 2.840 -1.863 4.630 1.00 0.00 C ATOM 336 O VAL A 22 3.892 -2.410 4.301 1.00 0.00 O ATOM 337 CB VAL A 22 1.618 -2.069 2.464 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.518 -1.466 1.604 1.00 0.00 C ATOM 339 CG2 VAL A 22 2.840 -2.404 1.622 1.00 0.00 C ATOM 0 H VAL A 22 3.296 -0.118 2.292 1.00 0.00 H new ATOM 0 HA VAL A 22 1.088 -0.747 4.085 1.00 0.00 H new ATOM 0 HB VAL A 22 1.240 -2.994 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.263 -2.158 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.363 -1.281 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.865 -0.526 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.554 -3.083 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.249 -1.489 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.594 -2.880 2.249 1.00 0.00 H new ATOM 349 N ALA A 23 2.369 -1.888 5.872 1.00 0.00 N ATOM 350 CA ALA A 23 3.077 -2.578 6.944 1.00 0.00 C ATOM 351 C ALA A 23 2.153 -3.539 7.683 1.00 0.00 C ATOM 352 O ALA A 23 1.034 -3.181 8.050 1.00 0.00 O ATOM 353 CB ALA A 23 3.678 -1.570 7.913 1.00 0.00 C ATOM 0 H ALA A 23 1.500 -1.439 6.161 1.00 0.00 H new ATOM 0 HA ALA A 23 3.882 -3.162 6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.204 -2.099 8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.378 -0.926 7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.883 -0.962 8.345 1.00 0.00 H new ATOM 359 N GLY A 24 2.628 -4.762 7.898 1.00 0.00 N ATOM 360 CA GLY A 24 1.830 -5.756 8.592 1.00 0.00 C ATOM 361 C GLY A 24 1.875 -5.587 10.098 1.00 0.00 C ATOM 362 O GLY A 24 2.919 -5.261 10.661 1.00 0.00 O ATOM 0 H GLY A 24 3.551 -5.082 7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.796 -5.689 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.188 -6.752 8.330 1.00 0.00 H new ATOM 366 N GLN A 25 0.738 -5.808 10.751 1.00 0.00 N ATOM 367 CA GLN A 25 0.652 -5.676 12.200 1.00 0.00 C ATOM 368 C GLN A 25 1.634 -6.616 12.892 1.00 0.00 C ATOM 369 O GLN A 25 1.980 -6.420 14.057 1.00 0.00 O ATOM 370 CB GLN A 25 -0.772 -5.967 12.676 1.00 0.00 C ATOM 371 CG GLN A 25 -1.750 -4.838 12.396 1.00 0.00 C ATOM 372 CD GLN A 25 -3.097 -5.055 13.058 1.00 0.00 C ATOM 373 OE1 GLN A 25 -4.139 -5.003 12.403 1.00 0.00 O ATOM 374 NE2 GLN A 25 -3.083 -5.299 14.363 1.00 0.00 N ATOM 0 H GLN A 25 -0.135 -6.079 10.299 1.00 0.00 H new ATOM 0 HA GLN A 25 0.913 -4.651 12.462 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.130 -6.875 12.191 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.755 -6.164 13.748 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.324 -3.898 12.747 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.890 -4.742 11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.196 -5.333 14.866 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.959 -5.452 14.863 1.00 0.00 H new ATOM 383 N ASP A 26 2.080 -7.636 12.167 1.00 0.00 N ATOM 384 CA ASP A 26 3.023 -8.606 12.710 1.00 0.00 C ATOM 385 C ASP A 26 4.444 -8.052 12.691 1.00 0.00 C ATOM 386 O ASP A 26 4.994 -7.687 13.729 1.00 0.00 O ATOM 387 CB ASP A 26 2.960 -9.911 11.916 1.00 0.00 C ATOM 388 CG ASP A 26 1.597 -10.571 11.992 1.00 0.00 C ATOM 389 OD1 ASP A 26 0.716 -10.033 12.696 1.00 0.00 O ATOM 390 OD2 ASP A 26 1.411 -11.624 11.349 1.00 0.00 O ATOM 0 H ASP A 26 1.803 -7.812 11.201 1.00 0.00 H new ATOM 0 HA ASP A 26 2.744 -8.806 13.745 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.205 -9.710 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.715 -10.600 12.294 1.00 0.00 H new ATOM 395 N GLY A 27 5.035 -7.994 11.501 1.00 0.00 N ATOM 396 CA GLY A 27 6.387 -7.485 11.368 1.00 0.00 C ATOM 397 C GLY A 27 6.757 -7.189 9.928 1.00 0.00 C ATOM 398 O GLY A 27 7.790 -7.645 9.439 1.00 0.00 O ATOM 0 H GLY A 27 4.601 -8.291 10.627 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.489 -6.576 11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.088 -8.213 11.778 1.00 0.00 H new ATOM 402 N SER A 28 5.910 -6.424 9.246 1.00 0.00 N ATOM 403 CA SER A 28 6.150 -6.073 7.852 1.00 0.00 C ATOM 404 C SER A 28 6.048 -4.564 7.646 1.00 0.00 C ATOM 405 O SER A 28 5.407 -3.862 8.428 1.00 0.00 O ATOM 406 CB SER A 28 5.151 -6.792 6.943 1.00 0.00 C ATOM 407 OG SER A 28 5.610 -8.089 6.606 1.00 0.00 O ATOM 0 H SER A 28 5.052 -6.036 9.637 1.00 0.00 H new ATOM 0 HA SER A 28 7.160 -6.390 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.185 -6.863 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.997 -6.210 6.034 1.00 0.00 H new ATOM 0 HG SER A 28 4.953 -8.528 6.026 1.00 0.00 H new ATOM 413 N VAL A 29 6.685 -4.073 6.588 1.00 0.00 N ATOM 414 CA VAL A 29 6.666 -2.649 6.278 1.00 0.00 C ATOM 415 C VAL A 29 7.343 -2.368 4.941 1.00 0.00 C ATOM 416 O VAL A 29 8.534 -2.629 4.770 1.00 0.00 O ATOM 417 CB VAL A 29 7.363 -1.825 7.377 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.765 -2.356 7.633 1.00 0.00 C ATOM 419 CG2 VAL A 29 7.403 -0.353 6.995 1.00 0.00 C ATOM 0 H VAL A 29 7.221 -4.641 5.931 1.00 0.00 H new ATOM 0 HA VAL A 29 5.619 -2.352 6.221 1.00 0.00 H new ATOM 0 HB VAL A 29 6.789 -1.922 8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.242 -1.762 8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.707 -3.396 7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.352 -2.291 6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.899 0.214 7.783 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.953 -0.234 6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.386 0.017 6.867 1.00 0.00 H new ATOM 429 N VAL A 30 6.576 -1.835 3.995 1.00 0.00 N ATOM 430 CA VAL A 30 7.103 -1.518 2.673 1.00 0.00 C ATOM 431 C VAL A 30 6.486 -0.233 2.130 1.00 0.00 C ATOM 432 O VAL A 30 5.276 -0.028 2.221 1.00 0.00 O ATOM 433 CB VAL A 30 6.841 -2.661 1.675 1.00 0.00 C ATOM 434 CG1 VAL A 30 7.573 -2.406 0.366 1.00 0.00 C ATOM 435 CG2 VAL A 30 7.254 -3.997 2.275 1.00 0.00 C ATOM 0 H VAL A 30 5.588 -1.614 4.120 1.00 0.00 H new ATOM 0 HA VAL A 30 8.179 -1.383 2.785 1.00 0.00 H new ATOM 0 HB VAL A 30 5.772 -2.698 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.376 -3.224 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.224 -1.470 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.645 -2.341 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.062 -4.794 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.317 -3.974 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.680 -4.181 3.183 1.00 0.00 H new ATOM 445 N GLN A 31 7.327 0.628 1.566 1.00 0.00 N ATOM 446 CA GLN A 31 6.864 1.893 1.009 1.00 0.00 C ATOM 447 C GLN A 31 6.781 1.820 -0.512 1.00 0.00 C ATOM 448 O GLN A 31 7.562 1.117 -1.154 1.00 0.00 O ATOM 449 CB GLN A 31 7.798 3.031 1.426 1.00 0.00 C ATOM 450 CG GLN A 31 8.171 3.002 2.900 1.00 0.00 C ATOM 451 CD GLN A 31 9.170 4.080 3.270 1.00 0.00 C ATOM 452 OE1 GLN A 31 9.397 5.020 2.508 1.00 0.00 O ATOM 453 NE2 GLN A 31 9.775 3.948 4.444 1.00 0.00 N ATOM 0 H GLN A 31 8.332 0.473 1.483 1.00 0.00 H new ATOM 0 HA GLN A 31 5.866 2.089 1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.708 2.981 0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.320 3.984 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.270 3.125 3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.588 2.025 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.556 3.153 5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.459 4.642 4.746 1.00 0.00 H new ATOM 462 N PHE A 32 5.829 2.550 -1.084 1.00 0.00 N ATOM 463 CA PHE A 32 5.643 2.567 -2.530 1.00 0.00 C ATOM 464 C PHE A 32 5.073 3.906 -2.990 1.00 0.00 C ATOM 465 O PHE A 32 4.509 4.659 -2.196 1.00 0.00 O ATOM 466 CB PHE A 32 4.713 1.430 -2.959 1.00 0.00 C ATOM 467 CG PHE A 32 5.398 0.372 -3.777 1.00 0.00 C ATOM 468 CD1 PHE A 32 5.486 0.491 -5.154 1.00 0.00 C ATOM 469 CD2 PHE A 32 5.954 -0.741 -3.167 1.00 0.00 C ATOM 470 CE1 PHE A 32 6.115 -0.481 -5.909 1.00 0.00 C ATOM 471 CE2 PHE A 32 6.584 -1.717 -3.917 1.00 0.00 C ATOM 472 CZ PHE A 32 6.665 -1.586 -5.289 1.00 0.00 C ATOM 0 H PHE A 32 5.174 3.138 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 32 6.617 2.427 -2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.282 0.969 -2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.886 1.845 -3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.058 1.353 -5.644 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.895 -0.847 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.176 -0.377 -6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.012 -2.581 -3.430 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.158 -2.346 -5.877 1.00 0.00 H new ATOM 482 N LYS A 33 5.226 4.196 -4.277 1.00 0.00 N ATOM 483 CA LYS A 33 4.727 5.443 -4.845 1.00 0.00 C ATOM 484 C LYS A 33 3.987 5.187 -6.154 1.00 0.00 C ATOM 485 O LYS A 33 4.471 4.455 -7.019 1.00 0.00 O ATOM 486 CB LYS A 33 5.882 6.418 -5.082 1.00 0.00 C ATOM 487 CG LYS A 33 6.966 5.867 -5.993 1.00 0.00 C ATOM 488 CD LYS A 33 8.289 6.582 -5.782 1.00 0.00 C ATOM 489 CE LYS A 33 9.041 6.021 -4.585 1.00 0.00 C ATOM 490 NZ LYS A 33 10.487 6.379 -4.620 1.00 0.00 N ATOM 0 H LYS A 33 5.692 3.584 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 33 4.029 5.883 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.487 7.337 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.326 6.683 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.094 4.801 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.657 5.972 -7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.903 6.485 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.109 7.647 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.595 6.401 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.936 4.936 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.964 5.978 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.919 5.995 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.589 7.414 -4.612 1.00 0.00 H new ATOM 504 N ILE A 34 2.814 5.794 -6.294 1.00 0.00 N ATOM 505 CA ILE A 34 2.010 5.633 -7.499 1.00 0.00 C ATOM 506 C ILE A 34 0.994 6.763 -7.638 1.00 0.00 C ATOM 507 O ILE A 34 0.773 7.532 -6.702 1.00 0.00 O ATOM 508 CB ILE A 34 1.265 4.285 -7.504 1.00 0.00 C ATOM 509 CG1 ILE A 34 1.010 3.823 -8.940 1.00 0.00 C ATOM 510 CG2 ILE A 34 -0.045 4.401 -6.738 1.00 0.00 C ATOM 511 CD1 ILE A 34 1.249 2.345 -9.150 1.00 0.00 C ATOM 0 H ILE A 34 2.399 6.402 -5.588 1.00 0.00 H new ATOM 0 HA ILE A 34 2.699 5.661 -8.343 1.00 0.00 H new ATOM 0 HB ILE A 34 1.888 3.540 -7.009 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.019 4.059 -9.212 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.655 4.387 -9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.560 3.440 -6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.161 4.689 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.675 5.157 -7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.049 2.088 -10.190 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.285 2.106 -8.910 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.585 1.773 -8.501 1.00 0.00 H new ATOM 523 N LYS A 35 0.378 6.856 -8.811 1.00 0.00 N ATOM 524 CA LYS A 35 -0.617 7.889 -9.073 1.00 0.00 C ATOM 525 C LYS A 35 -1.811 7.745 -8.134 1.00 0.00 C ATOM 526 O LYS A 35 -1.777 6.958 -7.188 1.00 0.00 O ATOM 527 CB LYS A 35 -1.087 7.817 -10.527 1.00 0.00 C ATOM 528 CG LYS A 35 -1.824 6.532 -10.865 1.00 0.00 C ATOM 529 CD LYS A 35 -2.190 6.470 -12.338 1.00 0.00 C ATOM 530 CE LYS A 35 -3.143 7.592 -12.723 1.00 0.00 C ATOM 531 NZ LYS A 35 -3.597 7.474 -14.136 1.00 0.00 N ATOM 0 H LYS A 35 0.550 6.228 -9.596 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.152 8.859 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.740 8.665 -10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.223 7.914 -11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.201 5.676 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.729 6.461 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.285 6.536 -12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.651 5.507 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.009 7.576 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.649 8.553 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.244 8.257 -14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.773 7.515 -14.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.091 6.568 -14.268 1.00 0.00 H new ATOM 545 N ARG A 36 -2.865 8.508 -8.403 1.00 0.00 N ATOM 546 CA ARG A 36 -4.069 8.465 -7.582 1.00 0.00 C ATOM 547 C ARG A 36 -5.084 7.480 -8.157 1.00 0.00 C ATOM 548 O ARG A 36 -5.865 6.877 -7.420 1.00 0.00 O ATOM 549 CB ARG A 36 -4.695 9.857 -7.482 1.00 0.00 C ATOM 550 CG ARG A 36 -5.844 9.939 -6.490 1.00 0.00 C ATOM 551 CD ARG A 36 -5.587 10.994 -5.425 1.00 0.00 C ATOM 552 NE ARG A 36 -5.268 12.294 -6.009 1.00 0.00 N ATOM 553 CZ ARG A 36 -4.850 13.336 -5.298 1.00 0.00 C ATOM 554 NH1 ARG A 36 -4.702 13.230 -3.985 1.00 0.00 N ATOM 555 NH2 ARG A 36 -4.580 14.487 -5.901 1.00 0.00 N ATOM 0 H ARG A 36 -2.910 9.164 -9.183 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.786 8.129 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.925 10.572 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.054 10.156 -8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.767 10.173 -7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.986 8.968 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.467 11.088 -4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.765 10.672 -4.786 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.372 12.408 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.909 12.347 -3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.381 14.031 -3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.693 14.572 -6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.259 15.286 -5.354 1.00 0.00 H new ATOM 569 N HIS A 37 -5.066 7.323 -9.476 1.00 0.00 N ATOM 570 CA HIS A 37 -5.984 6.412 -10.150 1.00 0.00 C ATOM 571 C HIS A 37 -5.232 5.226 -10.747 1.00 0.00 C ATOM 572 O HIS A 37 -5.202 5.044 -11.964 1.00 0.00 O ATOM 573 CB HIS A 37 -6.753 7.147 -11.248 1.00 0.00 C ATOM 574 CG HIS A 37 -7.805 6.310 -11.906 1.00 0.00 C ATOM 575 ND1 HIS A 37 -8.020 6.305 -13.269 1.00 0.00 N ATOM 576 CD2 HIS A 37 -8.705 5.446 -11.382 1.00 0.00 C ATOM 577 CE1 HIS A 37 -9.007 5.475 -13.553 1.00 0.00 C ATOM 578 NE2 HIS A 37 -9.440 4.940 -12.426 1.00 0.00 N ATOM 0 H HIS A 37 -4.426 7.815 -10.100 1.00 0.00 H new ATOM 0 HA HIS A 37 -6.692 6.037 -9.410 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -7.221 8.034 -10.821 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.049 7.491 -12.005 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.823 5.200 -10.337 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -9.394 5.269 -14.540 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.197 4.261 -12.344 1.00 0.00 H new ATOM 586 N THR A 38 -4.624 4.420 -9.881 1.00 0.00 N ATOM 587 CA THR A 38 -3.871 3.253 -10.322 1.00 0.00 C ATOM 588 C THR A 38 -4.494 1.965 -9.796 1.00 0.00 C ATOM 589 O THR A 38 -5.069 1.924 -8.708 1.00 0.00 O ATOM 590 CB THR A 38 -2.403 3.325 -9.861 1.00 0.00 C ATOM 591 OG1 THR A 38 -1.532 2.978 -10.943 1.00 0.00 O ATOM 592 CG2 THR A 38 -2.158 2.389 -8.686 1.00 0.00 C ATOM 0 H THR A 38 -4.639 4.555 -8.870 1.00 0.00 H new ATOM 0 HA THR A 38 -3.903 3.250 -11.412 1.00 0.00 H new ATOM 0 HB THR A 38 -2.196 4.346 -9.541 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.550 3.688 -11.618 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.115 2.457 -8.378 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.801 2.674 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.382 1.365 -8.984 1.00 0.00 H new ATOM 600 N PRO A 39 -4.379 0.886 -10.585 1.00 0.00 N ATOM 601 CA PRO A 39 -4.925 -0.424 -10.218 1.00 0.00 C ATOM 602 C PRO A 39 -4.164 -1.066 -9.063 1.00 0.00 C ATOM 603 O PRO A 39 -3.123 -1.692 -9.264 1.00 0.00 O ATOM 604 CB PRO A 39 -4.754 -1.249 -11.496 1.00 0.00 C ATOM 605 CG PRO A 39 -3.620 -0.604 -12.215 1.00 0.00 C ATOM 606 CD PRO A 39 -3.708 0.863 -11.895 1.00 0.00 C ATOM 0 HA PRO A 39 -5.957 -0.354 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.536 -2.292 -11.267 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.662 -1.238 -12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.666 -1.018 -11.890 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.692 -0.774 -13.289 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.721 1.324 -11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.279 1.405 -12.649 1.00 0.00 H new ATOM 614 N LEU A 40 -4.691 -0.908 -7.854 1.00 0.00 N ATOM 615 CA LEU A 40 -4.061 -1.473 -6.665 1.00 0.00 C ATOM 616 C LEU A 40 -3.764 -2.956 -6.860 1.00 0.00 C ATOM 617 O LEU A 40 -2.873 -3.511 -6.216 1.00 0.00 O ATOM 618 CB LEU A 40 -4.963 -1.278 -5.445 1.00 0.00 C ATOM 619 CG LEU A 40 -5.149 0.164 -4.971 1.00 0.00 C ATOM 620 CD1 LEU A 40 -6.418 0.294 -4.144 1.00 0.00 C ATOM 621 CD2 LEU A 40 -3.938 0.623 -4.171 1.00 0.00 C ATOM 0 H LEU A 40 -5.553 -0.394 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.119 -0.951 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.944 -1.694 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.555 -1.861 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.244 0.805 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.534 1.327 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.278 0.007 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.353 -0.359 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.088 1.651 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.811 -0.022 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.047 0.568 -4.796 1.00 0.00 H new ATOM 633 N SER A 41 -4.514 -3.593 -7.754 1.00 0.00 N ATOM 634 CA SER A 41 -4.332 -5.012 -8.033 1.00 0.00 C ATOM 635 C SER A 41 -2.862 -5.331 -8.294 1.00 0.00 C ATOM 636 O SER A 41 -2.334 -6.329 -7.804 1.00 0.00 O ATOM 637 CB SER A 41 -5.177 -5.430 -9.238 1.00 0.00 C ATOM 638 OG SER A 41 -4.835 -4.675 -10.387 1.00 0.00 O ATOM 0 H SER A 41 -5.254 -3.148 -8.297 1.00 0.00 H new ATOM 0 HA SER A 41 -4.658 -5.573 -7.157 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.029 -6.491 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.234 -5.293 -9.010 1.00 0.00 H new ATOM 0 HG SER A 41 -5.388 -4.962 -11.144 1.00 0.00 H new ATOM 644 N LYS A 42 -2.207 -4.474 -9.070 1.00 0.00 N ATOM 645 CA LYS A 42 -0.798 -4.660 -9.396 1.00 0.00 C ATOM 646 C LYS A 42 0.026 -4.902 -8.136 1.00 0.00 C ATOM 647 O LYS A 42 1.015 -5.636 -8.159 1.00 0.00 O ATOM 648 CB LYS A 42 -0.260 -3.438 -10.143 1.00 0.00 C ATOM 649 CG LYS A 42 0.029 -2.252 -9.239 1.00 0.00 C ATOM 650 CD LYS A 42 0.677 -1.111 -10.006 1.00 0.00 C ATOM 651 CE LYS A 42 -0.283 -0.502 -11.016 1.00 0.00 C ATOM 652 NZ LYS A 42 0.407 0.443 -11.937 1.00 0.00 N ATOM 0 H LYS A 42 -2.630 -3.644 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.713 -5.537 -10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.654 -3.716 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.983 -3.139 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.899 -1.905 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.685 -2.564 -8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.007 -0.343 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.566 -1.476 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.752 -1.297 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.081 0.022 -10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.070 1.367 -11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.398 0.555 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.375 0.068 -12.907 1.00 0.00 H new ATOM 666 N LEU A 43 -0.389 -4.282 -7.036 1.00 0.00 N ATOM 667 CA LEU A 43 0.310 -4.432 -5.764 1.00 0.00 C ATOM 668 C LEU A 43 0.030 -5.797 -5.146 1.00 0.00 C ATOM 669 O LEU A 43 0.944 -6.482 -4.689 1.00 0.00 O ATOM 670 CB LEU A 43 -0.110 -3.325 -4.796 1.00 0.00 C ATOM 671 CG LEU A 43 0.952 -2.870 -3.794 1.00 0.00 C ATOM 672 CD1 LEU A 43 1.602 -4.071 -3.124 1.00 0.00 C ATOM 673 CD2 LEU A 43 2.000 -2.009 -4.482 1.00 0.00 C ATOM 0 H LEU A 43 -1.205 -3.671 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 43 1.380 -4.353 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.424 -2.460 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.982 -3.668 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 43 0.466 -2.270 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.355 -3.728 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.843 -4.649 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.075 -4.698 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.748 -1.694 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.483 -2.585 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.522 -1.130 -4.914 1.00 0.00 H new ATOM 685 N MET A 44 -1.241 -6.187 -5.136 1.00 0.00 N ATOM 686 CA MET A 44 -1.641 -7.473 -4.577 1.00 0.00 C ATOM 687 C MET A 44 -0.810 -8.607 -5.171 1.00 0.00 C ATOM 688 O MET A 44 -0.046 -9.266 -4.465 1.00 0.00 O ATOM 689 CB MET A 44 -3.127 -7.726 -4.836 1.00 0.00 C ATOM 690 CG MET A 44 -3.670 -8.950 -4.117 1.00 0.00 C ATOM 691 SD MET A 44 -3.550 -10.450 -5.111 1.00 0.00 S ATOM 692 CE MET A 44 -5.278 -10.901 -5.252 1.00 0.00 C ATOM 0 H MET A 44 -2.011 -5.631 -5.508 1.00 0.00 H new ATOM 0 HA MET A 44 -1.467 -7.443 -3.501 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.696 -6.850 -4.525 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.285 -7.844 -5.908 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.123 -9.092 -3.185 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.713 -8.777 -3.851 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.369 -11.813 -5.842 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.693 -11.069 -4.258 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.825 -10.096 -5.742 1.00 0.00 H new ATOM 702 N LYS A 45 -0.964 -8.829 -6.472 1.00 0.00 N ATOM 703 CA LYS A 45 -0.228 -9.881 -7.161 1.00 0.00 C ATOM 704 C LYS A 45 1.265 -9.789 -6.859 1.00 0.00 C ATOM 705 O LYS A 45 1.921 -10.800 -6.612 1.00 0.00 O ATOM 706 CB LYS A 45 -0.460 -9.790 -8.671 1.00 0.00 C ATOM 707 CG LYS A 45 -0.358 -11.127 -9.384 1.00 0.00 C ATOM 708 CD LYS A 45 -1.559 -12.010 -9.088 1.00 0.00 C ATOM 709 CE LYS A 45 -2.661 -11.816 -10.119 1.00 0.00 C ATOM 710 NZ LYS A 45 -3.568 -10.692 -9.758 1.00 0.00 N ATOM 0 H LYS A 45 -1.593 -8.293 -7.070 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.595 -10.842 -6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.447 -9.365 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.268 -9.102 -9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.282 -10.962 -10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.555 -11.637 -9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.250 -13.055 -9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.944 -11.781 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.215 -11.624 -11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.240 -12.735 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.503 -10.849 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.665 -10.642 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.171 -9.798 -10.112 1.00 0.00 H new ATOM 724 N ALA A 46 1.793 -8.570 -6.880 1.00 0.00 N ATOM 725 CA ALA A 46 3.207 -8.346 -6.605 1.00 0.00 C ATOM 726 C ALA A 46 3.578 -8.830 -5.207 1.00 0.00 C ATOM 727 O ALA A 46 4.601 -9.489 -5.019 1.00 0.00 O ATOM 728 CB ALA A 46 3.548 -6.871 -6.762 1.00 0.00 C ATOM 0 H ALA A 46 1.263 -7.723 -7.084 1.00 0.00 H new ATOM 0 HA ALA A 46 3.787 -8.921 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.607 -6.718 -6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.329 -6.553 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.952 -6.283 -6.063 1.00 0.00 H new ATOM 734 N TYR A 47 2.741 -8.499 -4.230 1.00 0.00 N ATOM 735 CA TYR A 47 2.983 -8.898 -2.849 1.00 0.00 C ATOM 736 C TYR A 47 3.273 -10.393 -2.756 1.00 0.00 C ATOM 737 O TYR A 47 4.328 -10.803 -2.270 1.00 0.00 O ATOM 738 CB TYR A 47 1.778 -8.546 -1.976 1.00 0.00 C ATOM 739 CG TYR A 47 2.153 -8.007 -0.614 1.00 0.00 C ATOM 740 CD1 TYR A 47 3.188 -8.575 0.119 1.00 0.00 C ATOM 741 CD2 TYR A 47 1.474 -6.929 -0.060 1.00 0.00 C ATOM 742 CE1 TYR A 47 3.534 -8.087 1.364 1.00 0.00 C ATOM 743 CE2 TYR A 47 1.814 -6.432 1.183 1.00 0.00 C ATOM 744 CZ TYR A 47 2.844 -7.015 1.892 1.00 0.00 C ATOM 745 OH TYR A 47 3.186 -6.524 3.131 1.00 0.00 O ATOM 0 H TYR A 47 1.889 -7.955 -4.369 1.00 0.00 H new ATOM 0 HA TYR A 47 3.856 -8.354 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.168 -7.806 -2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.161 -9.435 -1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.731 -9.413 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.666 -6.471 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.340 -8.542 1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.277 -5.592 1.598 1.00 0.00 H new ATOM 0 HH TYR A 47 2.604 -5.768 3.355 1.00 0.00 H new ATOM 755 N CYS A 48 2.330 -11.202 -3.227 1.00 0.00 N ATOM 756 CA CYS A 48 2.483 -12.652 -3.198 1.00 0.00 C ATOM 757 C CYS A 48 3.825 -13.070 -3.791 1.00 0.00 C ATOM 758 O CYS A 48 4.527 -13.909 -3.229 1.00 0.00 O ATOM 759 CB CYS A 48 1.342 -13.321 -3.965 1.00 0.00 C ATOM 760 SG CYS A 48 1.495 -15.118 -4.098 1.00 0.00 S ATOM 0 H CYS A 48 1.452 -10.878 -3.633 1.00 0.00 H new ATOM 0 HA CYS A 48 2.450 -12.975 -2.158 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.399 -13.083 -3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.294 -12.896 -4.968 1.00 0.00 H new ATOM 0 HG CYS A 48 0.482 -15.592 -4.761 1.00 0.00 H new ATOM 766 N GLU A 49 4.172 -12.479 -4.930 1.00 0.00 N ATOM 767 CA GLU A 49 5.428 -12.792 -5.600 1.00 0.00 C ATOM 768 C GLU A 49 6.601 -12.704 -4.627 1.00 0.00 C ATOM 769 O GLU A 49 7.547 -13.488 -4.706 1.00 0.00 O ATOM 770 CB GLU A 49 5.656 -11.840 -6.777 1.00 0.00 C ATOM 771 CG GLU A 49 6.567 -12.408 -7.851 1.00 0.00 C ATOM 772 CD GLU A 49 7.050 -11.351 -8.825 1.00 0.00 C ATOM 773 OE1 GLU A 49 7.666 -10.364 -8.371 1.00 0.00 O ATOM 774 OE2 GLU A 49 6.812 -11.510 -10.041 1.00 0.00 O ATOM 0 H GLU A 49 3.601 -11.781 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 49 5.364 -13.814 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.693 -11.591 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.085 -10.910 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.428 -12.882 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.035 -13.186 -8.399 1.00 0.00 H new ATOM 781 N ARG A 50 6.530 -11.745 -3.710 1.00 0.00 N ATOM 782 CA ARG A 50 7.586 -11.552 -2.723 1.00 0.00 C ATOM 783 C ARG A 50 7.412 -12.510 -1.548 1.00 0.00 C ATOM 784 O ARG A 50 8.216 -13.422 -1.355 1.00 0.00 O ATOM 785 CB ARG A 50 7.587 -10.107 -2.221 1.00 0.00 C ATOM 786 CG ARG A 50 8.473 -9.885 -1.006 1.00 0.00 C ATOM 787 CD ARG A 50 9.901 -10.338 -1.267 1.00 0.00 C ATOM 788 NE ARG A 50 10.876 -9.505 -0.569 1.00 0.00 N ATOM 789 CZ ARG A 50 12.156 -9.830 -0.432 1.00 0.00 C ATOM 790 NH1 ARG A 50 12.614 -10.964 -0.944 1.00 0.00 N ATOM 791 NH2 ARG A 50 12.982 -9.020 0.217 1.00 0.00 N ATOM 0 H ARG A 50 5.753 -11.090 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 50 8.541 -11.762 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.919 -9.452 -3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.566 -9.817 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.468 -8.828 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.067 -10.430 -0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.016 -11.374 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.100 -10.309 -2.338 1.00 0.00 H new ATOM 0 HE ARG A 50 10.556 -8.625 -0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.983 -11.589 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.598 -11.211 -0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.634 -8.146 0.612 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.965 -9.271 0.321 1.00 0.00 H new ATOM 805 N GLN A 51 6.358 -12.296 -0.767 1.00 0.00 N ATOM 806 CA GLN A 51 6.080 -13.140 0.389 1.00 0.00 C ATOM 807 C GLN A 51 4.664 -13.701 0.326 1.00 0.00 C ATOM 808 O GLN A 51 3.787 -13.287 1.082 1.00 0.00 O ATOM 809 CB GLN A 51 6.270 -12.346 1.683 1.00 0.00 C ATOM 810 CG GLN A 51 5.514 -11.027 1.704 1.00 0.00 C ATOM 811 CD GLN A 51 5.145 -10.588 3.107 1.00 0.00 C ATOM 812 OE1 GLN A 51 3.967 -10.480 3.447 1.00 0.00 O ATOM 813 NE2 GLN A 51 6.154 -10.333 3.932 1.00 0.00 N ATOM 0 H GLN A 51 5.683 -11.546 -0.914 1.00 0.00 H new ATOM 0 HA GLN A 51 6.782 -13.974 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.943 -12.956 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.332 -12.149 1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.124 -10.255 1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.607 -11.123 1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.116 -10.436 3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.967 -10.035 4.889 1.00 0.00 H new ATOM 822 N GLY A 52 4.448 -14.648 -0.583 1.00 0.00 N ATOM 823 CA GLY A 52 3.136 -15.250 -0.729 1.00 0.00 C ATOM 824 C GLY A 52 2.883 -16.344 0.290 1.00 0.00 C ATOM 825 O GLY A 52 2.822 -17.524 -0.057 1.00 0.00 O ATOM 0 H GLY A 52 5.158 -15.008 -1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.372 -14.479 -0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.039 -15.663 -1.733 1.00 0.00 H new ATOM 829 N LEU A 53 2.739 -15.953 1.551 1.00 0.00 N ATOM 830 CA LEU A 53 2.493 -16.909 2.625 1.00 0.00 C ATOM 831 C LEU A 53 0.998 -17.137 2.820 1.00 0.00 C ATOM 832 O LEU A 53 0.576 -18.197 3.282 1.00 0.00 O ATOM 833 CB LEU A 53 3.120 -16.412 3.930 1.00 0.00 C ATOM 834 CG LEU A 53 4.581 -15.969 3.846 1.00 0.00 C ATOM 835 CD1 LEU A 53 4.885 -14.931 4.915 1.00 0.00 C ATOM 836 CD2 LEU A 53 5.510 -17.166 3.983 1.00 0.00 C ATOM 0 H LEU A 53 2.788 -14.981 1.855 1.00 0.00 H new ATOM 0 HA LEU A 53 2.952 -17.857 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.528 -15.574 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.044 -17.207 4.672 1.00 0.00 H new ATOM 0 HG LEU A 53 4.748 -15.515 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.929 -14.627 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.243 -14.062 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.701 -15.359 5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.546 -16.832 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.342 -17.649 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.309 -17.876 3.181 1.00 0.00 H new ATOM 848 N SER A 54 0.200 -16.135 2.463 1.00 0.00 N ATOM 849 CA SER A 54 -1.249 -16.225 2.600 1.00 0.00 C ATOM 850 C SER A 54 -1.949 -15.456 1.484 1.00 0.00 C ATOM 851 O SER A 54 -1.577 -14.327 1.166 1.00 0.00 O ATOM 852 CB SER A 54 -1.688 -15.683 3.962 1.00 0.00 C ATOM 853 OG SER A 54 -1.159 -16.466 5.018 1.00 0.00 O ATOM 0 H SER A 54 0.533 -15.252 2.077 1.00 0.00 H new ATOM 0 HA SER A 54 -1.532 -17.275 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.356 -14.650 4.070 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.776 -15.676 4.020 1.00 0.00 H new ATOM 0 HG SER A 54 -1.453 -16.098 5.877 1.00 0.00 H new ATOM 859 N MET A 55 -2.965 -16.078 0.894 1.00 0.00 N ATOM 860 CA MET A 55 -3.719 -15.452 -0.187 1.00 0.00 C ATOM 861 C MET A 55 -5.119 -15.066 0.280 1.00 0.00 C ATOM 862 O MET A 55 -5.892 -14.474 -0.473 1.00 0.00 O ATOM 863 CB MET A 55 -3.811 -16.397 -1.387 1.00 0.00 C ATOM 864 CG MET A 55 -4.186 -17.821 -1.011 1.00 0.00 C ATOM 865 SD MET A 55 -2.752 -18.906 -0.882 1.00 0.00 S ATOM 866 CE MET A 55 -3.177 -20.172 -2.076 1.00 0.00 C ATOM 0 H MET A 55 -3.285 -17.013 1.146 1.00 0.00 H new ATOM 0 HA MET A 55 -3.193 -14.546 -0.487 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.549 -16.009 -2.089 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.852 -16.407 -1.905 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.718 -17.813 -0.059 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.873 -18.221 -1.757 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.384 -20.919 -2.112 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.112 -20.649 -1.783 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.294 -19.719 -3.061 1.00 0.00 H new ATOM 876 N ARG A 56 -5.437 -15.405 1.525 1.00 0.00 N ATOM 877 CA ARG A 56 -6.744 -15.095 2.091 1.00 0.00 C ATOM 878 C ARG A 56 -6.614 -14.123 3.260 1.00 0.00 C ATOM 879 O ARG A 56 -7.574 -13.446 3.626 1.00 0.00 O ATOM 880 CB ARG A 56 -7.441 -16.376 2.553 1.00 0.00 C ATOM 881 CG ARG A 56 -8.817 -16.138 3.154 1.00 0.00 C ATOM 882 CD ARG A 56 -9.595 -17.437 3.293 1.00 0.00 C ATOM 883 NE ARG A 56 -8.932 -18.379 4.192 1.00 0.00 N ATOM 884 CZ ARG A 56 -9.400 -19.593 4.459 1.00 0.00 C ATOM 885 NH1 ARG A 56 -10.527 -20.011 3.899 1.00 0.00 N ATOM 886 NH2 ARG A 56 -8.739 -20.392 5.287 1.00 0.00 N ATOM 0 H ARG A 56 -4.807 -15.894 2.161 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.345 -14.623 1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.537 -17.054 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.813 -16.875 3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.712 -15.669 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.375 -15.444 2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.596 -17.222 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.714 -17.895 2.311 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.062 -18.088 4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.037 -19.400 3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.884 -20.944 4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.871 -20.074 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.099 -21.324 5.492 1.00 0.00 H new ATOM 900 N GLN A 57 -5.421 -14.062 3.842 1.00 0.00 N ATOM 901 CA GLN A 57 -5.166 -13.175 4.971 1.00 0.00 C ATOM 902 C GLN A 57 -4.640 -11.825 4.494 1.00 0.00 C ATOM 903 O GLN A 57 -5.053 -10.777 4.991 1.00 0.00 O ATOM 904 CB GLN A 57 -4.164 -13.815 5.934 1.00 0.00 C ATOM 905 CG GLN A 57 -4.804 -14.766 6.933 1.00 0.00 C ATOM 906 CD GLN A 57 -5.846 -15.666 6.298 1.00 0.00 C ATOM 907 OE1 GLN A 57 -7.038 -15.359 6.311 1.00 0.00 O ATOM 908 NE2 GLN A 57 -5.400 -16.784 5.737 1.00 0.00 N ATOM 0 H GLN A 57 -4.616 -14.616 3.551 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.109 -13.013 5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.414 -14.357 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.641 -13.028 6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.029 -15.381 7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.267 -14.189 7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.403 -16.998 5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.055 -17.428 5.293 1.00 0.00 H new ATOM 917 N ILE A 58 -3.726 -11.859 3.531 1.00 0.00 N ATOM 918 CA ILE A 58 -3.144 -10.638 2.987 1.00 0.00 C ATOM 919 C ILE A 58 -4.217 -9.743 2.376 1.00 0.00 C ATOM 920 O ILE A 58 -4.823 -10.087 1.361 1.00 0.00 O ATOM 921 CB ILE A 58 -2.080 -10.949 1.918 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.977 -11.831 2.506 1.00 0.00 C ATOM 923 CG2 ILE A 58 -1.495 -9.659 1.363 1.00 0.00 C ATOM 924 CD1 ILE A 58 -0.192 -11.160 3.612 1.00 0.00 C ATOM 0 H ILE A 58 -3.372 -12.719 3.111 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.670 -10.117 3.818 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.555 -11.491 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.423 -12.747 2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.292 -12.121 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.744 -9.895 0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.289 -9.064 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.032 -9.092 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.573 -11.843 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.283 -10.258 3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.866 -10.894 4.427 1.00 0.00 H new ATOM 936 N ARG A 59 -4.445 -8.592 3.000 1.00 0.00 N ATOM 937 CA ARG A 59 -5.444 -7.646 2.517 1.00 0.00 C ATOM 938 C ARG A 59 -5.182 -6.249 3.071 1.00 0.00 C ATOM 939 O ARG A 59 -4.985 -6.073 4.273 1.00 0.00 O ATOM 940 CB ARG A 59 -6.848 -8.108 2.911 1.00 0.00 C ATOM 941 CG ARG A 59 -7.490 -9.039 1.896 1.00 0.00 C ATOM 942 CD ARG A 59 -9.003 -8.881 1.874 1.00 0.00 C ATOM 943 NE ARG A 59 -9.589 -9.040 3.202 1.00 0.00 N ATOM 944 CZ ARG A 59 -9.793 -10.219 3.779 1.00 0.00 C ATOM 945 NH1 ARG A 59 -9.460 -11.336 3.147 1.00 0.00 N ATOM 946 NH2 ARG A 59 -10.332 -10.282 4.990 1.00 0.00 N ATOM 0 H ARG A 59 -3.952 -8.292 3.841 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.374 -7.606 1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.797 -8.614 3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.485 -7.234 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.087 -8.832 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.234 -10.071 2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.259 -7.897 1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.435 -9.618 1.197 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.856 -8.200 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.046 -11.291 2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.618 -12.240 3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.590 -9.425 5.479 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.488 -11.188 5.432 1.00 0.00 H new ATOM 960 N PHE A 60 -5.182 -5.257 2.186 1.00 0.00 N ATOM 961 CA PHE A 60 -4.944 -3.875 2.586 1.00 0.00 C ATOM 962 C PHE A 60 -6.146 -3.312 3.338 1.00 0.00 C ATOM 963 O PHE A 60 -7.256 -3.264 2.809 1.00 0.00 O ATOM 964 CB PHE A 60 -4.645 -3.011 1.359 1.00 0.00 C ATOM 965 CG PHE A 60 -3.488 -3.511 0.541 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.197 -3.465 1.042 1.00 0.00 C ATOM 967 CD2 PHE A 60 -3.692 -4.028 -0.728 1.00 0.00 C ATOM 968 CE1 PHE A 60 -1.131 -3.924 0.291 1.00 0.00 C ATOM 969 CE2 PHE A 60 -2.630 -4.488 -1.484 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.348 -4.437 -0.973 1.00 0.00 C ATOM 0 H PHE A 60 -5.344 -5.385 1.187 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.081 -3.859 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.534 -2.969 0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.436 -1.992 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.022 -3.066 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.693 -4.072 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.129 -3.882 0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.803 -4.887 -2.473 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.517 -4.798 -1.561 1.00 0.00 H new ATOM 980 N ARG A 61 -5.915 -2.886 4.576 1.00 0.00 N ATOM 981 CA ARG A 61 -6.978 -2.328 5.403 1.00 0.00 C ATOM 982 C ARG A 61 -6.450 -1.189 6.271 1.00 0.00 C ATOM 983 O ARG A 61 -5.291 -1.197 6.686 1.00 0.00 O ATOM 984 CB ARG A 61 -7.591 -3.415 6.286 1.00 0.00 C ATOM 985 CG ARG A 61 -8.653 -2.897 7.242 1.00 0.00 C ATOM 986 CD ARG A 61 -8.104 -2.738 8.652 1.00 0.00 C ATOM 987 NE ARG A 61 -9.167 -2.534 9.633 1.00 0.00 N ATOM 988 CZ ARG A 61 -8.963 -2.019 10.840 1.00 0.00 C ATOM 989 NH1 ARG A 61 -7.742 -1.659 11.213 1.00 0.00 N ATOM 990 NH2 ARG A 61 -9.980 -1.864 11.677 1.00 0.00 N ATOM 0 H ARG A 61 -5.001 -2.917 5.028 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.748 -1.931 4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.031 -4.183 5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.799 -3.893 6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.028 -1.937 6.886 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.499 -3.584 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.529 -3.625 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.417 -1.892 8.680 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.117 -2.802 9.377 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.957 -1.777 10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.588 -1.264 12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.920 -2.140 11.394 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.822 -1.468 12.604 1.00 0.00 H new ATOM 1004 N PHE A 62 -7.308 -0.211 6.541 1.00 0.00 N ATOM 1005 CA PHE A 62 -6.928 0.935 7.358 1.00 0.00 C ATOM 1006 C PHE A 62 -7.710 0.952 8.669 1.00 0.00 C ATOM 1007 O PHE A 62 -8.575 0.107 8.898 1.00 0.00 O ATOM 1008 CB PHE A 62 -7.170 2.237 6.591 1.00 0.00 C ATOM 1009 CG PHE A 62 -8.507 2.293 5.910 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -8.687 1.726 4.659 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -9.585 2.914 6.521 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -9.916 1.775 4.030 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -10.817 2.966 5.897 1.00 0.00 C ATOM 1014 CZ PHE A 62 -10.983 2.397 4.650 1.00 0.00 C ATOM 0 H PHE A 62 -8.271 -0.189 6.206 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.866 0.849 7.589 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.088 3.076 7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.386 2.360 5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.856 1.240 4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.461 3.362 7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.043 1.328 3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.649 3.451 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.945 2.438 4.160 1.00 0.00 H new ATOM 1024 N ASP A 63 -7.397 1.918 9.525 1.00 0.00 N ATOM 1025 CA ASP A 63 -8.069 2.046 10.812 1.00 0.00 C ATOM 1026 C ASP A 63 -9.482 2.594 10.636 1.00 0.00 C ATOM 1027 O ASP A 63 -9.797 3.687 11.106 1.00 0.00 O ATOM 1028 CB ASP A 63 -7.267 2.957 11.742 1.00 0.00 C ATOM 1029 CG ASP A 63 -7.664 2.795 13.196 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -7.647 1.648 13.692 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -7.990 3.814 13.839 1.00 0.00 O ATOM 0 H ASP A 63 -6.682 2.624 9.351 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.137 1.054 11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.205 2.739 11.632 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.412 3.995 11.442 1.00 0.00 H new ATOM 1036 N GLY A 64 -10.328 1.828 9.955 1.00 0.00 N ATOM 1037 CA GLY A 64 -11.697 2.255 9.727 1.00 0.00 C ATOM 1038 C GLY A 64 -12.540 1.176 9.078 1.00 0.00 C ATOM 1039 O GLY A 64 -13.704 0.992 9.434 1.00 0.00 O ATOM 0 H GLY A 64 -10.091 0.919 9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.148 2.542 10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.697 3.142 9.094 1.00 0.00 H new ATOM 1043 N GLN A 65 -11.953 0.462 8.123 1.00 0.00 N ATOM 1044 CA GLN A 65 -12.660 -0.603 7.422 1.00 0.00 C ATOM 1045 C GLN A 65 -11.765 -1.250 6.370 1.00 0.00 C ATOM 1046 O GLN A 65 -10.806 -0.651 5.882 1.00 0.00 O ATOM 1047 CB GLN A 65 -13.927 -0.055 6.763 1.00 0.00 C ATOM 1048 CG GLN A 65 -13.700 1.232 5.986 1.00 0.00 C ATOM 1049 CD GLN A 65 -14.997 1.887 5.552 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -15.282 1.995 4.359 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -15.790 2.330 6.520 1.00 0.00 N ATOM 0 H GLN A 65 -10.990 0.602 7.817 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.938 -1.362 8.153 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.332 -0.810 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.679 0.122 7.532 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.134 1.930 6.603 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.093 1.019 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.514 2.220 7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.675 2.781 6.288 1.00 0.00 H new ATOM 1060 N PRO A 66 -12.082 -2.503 6.012 1.00 0.00 N ATOM 1061 CA PRO A 66 -11.318 -3.258 5.014 1.00 0.00 C ATOM 1062 C PRO A 66 -11.500 -2.705 3.605 1.00 0.00 C ATOM 1063 O PRO A 66 -12.597 -2.296 3.225 1.00 0.00 O ATOM 1064 CB PRO A 66 -11.903 -4.669 5.114 1.00 0.00 C ATOM 1065 CG PRO A 66 -13.283 -4.471 5.640 1.00 0.00 C ATOM 1066 CD PRO A 66 -13.211 -3.278 6.553 1.00 0.00 C ATOM 0 HA PRO A 66 -10.245 -3.212 5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.917 -5.162 4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.311 -5.296 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.989 -4.299 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -13.626 -5.354 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.137 -2.703 6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.037 -3.574 7.588 1.00 0.00 H new ATOM 1074 N ILE A 67 -10.417 -2.696 2.834 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.458 -2.194 1.466 1.00 0.00 C ATOM 1076 C ILE A 67 -11.031 -3.239 0.515 1.00 0.00 C ATOM 1077 O ILE A 67 -10.830 -4.439 0.700 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.058 -1.782 0.976 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.434 -0.770 1.939 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.138 -1.204 -0.429 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -6.967 -0.509 1.675 1.00 0.00 C ATOM 0 H ILE A 67 -9.501 -3.031 3.134 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.105 -1.317 1.470 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.424 -2.668 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.980 0.171 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.552 -1.132 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.140 -0.917 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.546 -1.953 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.785 -0.327 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.591 0.218 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.408 -1.440 1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.843 -0.117 0.666 1.00 0.00 H new ATOM 1093 N ASN A 68 -11.743 -2.774 -0.507 1.00 0.00 N ATOM 1094 CA ASN A 68 -12.344 -3.669 -1.490 1.00 0.00 C ATOM 1095 C ASN A 68 -11.388 -3.921 -2.652 1.00 0.00 C ATOM 1096 O ASN A 68 -10.214 -3.557 -2.592 1.00 0.00 O ATOM 1097 CB ASN A 68 -13.655 -3.079 -2.012 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.590 -2.666 -0.892 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -14.490 -3.163 0.230 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -15.506 -1.752 -1.192 1.00 0.00 N ATOM 0 H ASN A 68 -11.918 -1.783 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.551 -4.621 -1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.437 -2.213 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.153 -3.813 -2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.163 -1.435 -0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.552 -1.367 -2.135 1.00 0.00 H new ATOM 1107 N GLU A 69 -11.900 -4.545 -3.708 1.00 0.00 N ATOM 1108 CA GLU A 69 -11.092 -4.845 -4.883 1.00 0.00 C ATOM 1109 C GLU A 69 -11.327 -3.814 -5.984 1.00 0.00 C ATOM 1110 O GLU A 69 -10.474 -3.605 -6.847 1.00 0.00 O ATOM 1111 CB GLU A 69 -11.413 -6.247 -5.406 1.00 0.00 C ATOM 1112 CG GLU A 69 -12.812 -6.375 -5.985 1.00 0.00 C ATOM 1113 CD GLU A 69 -13.326 -7.802 -5.958 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -13.517 -8.342 -4.848 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -13.536 -8.378 -7.046 1.00 0.00 O ATOM 0 H GLU A 69 -12.870 -4.852 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.043 -4.805 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.686 -6.515 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.298 -6.964 -4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.494 -5.736 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.810 -6.013 -7.013 1.00 0.00 H new ATOM 1122 N THR A 70 -12.491 -3.173 -5.946 1.00 0.00 N ATOM 1123 CA THR A 70 -12.840 -2.165 -6.940 1.00 0.00 C ATOM 1124 C THR A 70 -12.801 -0.764 -6.339 1.00 0.00 C ATOM 1125 O THR A 70 -13.558 0.117 -6.746 1.00 0.00 O ATOM 1126 CB THR A 70 -14.241 -2.419 -7.529 1.00 0.00 C ATOM 1127 OG1 THR A 70 -14.473 -1.541 -8.636 1.00 0.00 O ATOM 1128 CG2 THR A 70 -15.317 -2.211 -6.475 1.00 0.00 C ATOM 0 H THR A 70 -13.208 -3.334 -5.238 1.00 0.00 H new ATOM 0 HA THR A 70 -12.100 -2.237 -7.737 1.00 0.00 H new ATOM 0 HB THR A 70 -14.286 -3.453 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.298 -0.616 -8.362 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.297 -2.396 -6.914 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.154 -2.902 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.272 -1.186 -6.107 1.00 0.00 H new ATOM 1136 N ASP A 71 -11.914 -0.566 -5.371 1.00 0.00 N ATOM 1137 CA ASP A 71 -11.774 0.730 -4.716 1.00 0.00 C ATOM 1138 C ASP A 71 -10.458 1.396 -5.104 1.00 0.00 C ATOM 1139 O ASP A 71 -9.558 0.752 -5.644 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.849 0.567 -3.197 1.00 0.00 C ATOM 1141 CG ASP A 71 -13.276 0.489 -2.692 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -14.158 0.065 -3.469 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -13.512 0.850 -1.521 1.00 0.00 O ATOM 0 H ASP A 71 -11.281 -1.286 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.594 1.368 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.314 -0.336 -2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.343 1.406 -2.719 1.00 0.00 H new ATOM 1148 N THR A 72 -10.353 2.692 -4.827 1.00 0.00 N ATOM 1149 CA THR A 72 -9.148 3.447 -5.150 1.00 0.00 C ATOM 1150 C THR A 72 -8.764 4.383 -4.009 1.00 0.00 C ATOM 1151 O THR A 72 -9.582 4.732 -3.158 1.00 0.00 O ATOM 1152 CB THR A 72 -9.331 4.273 -6.437 1.00 0.00 C ATOM 1153 OG1 THR A 72 -10.690 4.710 -6.550 1.00 0.00 O ATOM 1154 CG2 THR A 72 -8.952 3.456 -7.663 1.00 0.00 C ATOM 0 H THR A 72 -11.087 3.241 -4.380 1.00 0.00 H new ATOM 0 HA THR A 72 -8.351 2.720 -5.304 1.00 0.00 H new ATOM 0 HB THR A 72 -8.674 5.141 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.797 5.236 -7.370 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.089 4.060 -8.560 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.908 3.150 -7.588 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.586 2.571 -7.721 1.00 0.00 H new ATOM 1162 N PRO A 73 -7.490 4.801 -3.989 1.00 0.00 N ATOM 1163 CA PRO A 73 -6.969 5.703 -2.959 1.00 0.00 C ATOM 1164 C PRO A 73 -7.532 7.115 -3.085 1.00 0.00 C ATOM 1165 O PRO A 73 -7.644 7.839 -2.096 1.00 0.00 O ATOM 1166 CB PRO A 73 -5.460 5.705 -3.218 1.00 0.00 C ATOM 1167 CG PRO A 73 -5.324 5.359 -4.661 1.00 0.00 C ATOM 1168 CD PRO A 73 -6.460 4.425 -4.972 1.00 0.00 C ATOM 0 HA PRO A 73 -7.243 5.376 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.022 6.679 -3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.949 4.978 -2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.372 6.253 -5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.363 4.884 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.815 4.551 -5.995 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.163 3.382 -4.864 1.00 0.00 H new ATOM 1176 N ALA A 74 -7.887 7.498 -4.307 1.00 0.00 N ATOM 1177 CA ALA A 74 -8.441 8.822 -4.561 1.00 0.00 C ATOM 1178 C ALA A 74 -9.606 9.119 -3.623 1.00 0.00 C ATOM 1179 O ALA A 74 -9.689 10.203 -3.047 1.00 0.00 O ATOM 1180 CB ALA A 74 -8.886 8.938 -6.012 1.00 0.00 C ATOM 0 H ALA A 74 -7.801 6.910 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.660 9.558 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.298 9.932 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.031 8.778 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.648 8.187 -6.220 1.00 0.00 H new ATOM 1186 N GLN A 75 -10.503 8.149 -3.476 1.00 0.00 N ATOM 1187 CA GLN A 75 -11.664 8.308 -2.609 1.00 0.00 C ATOM 1188 C GLN A 75 -11.434 7.632 -1.261 1.00 0.00 C ATOM 1189 O GLN A 75 -12.384 7.297 -0.552 1.00 0.00 O ATOM 1190 CB GLN A 75 -12.911 7.727 -3.278 1.00 0.00 C ATOM 1191 CG GLN A 75 -14.201 8.416 -2.863 1.00 0.00 C ATOM 1192 CD GLN A 75 -14.457 9.692 -3.640 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -13.854 10.731 -3.367 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -15.355 9.622 -4.616 1.00 0.00 N ATOM 0 H GLN A 75 -10.448 7.245 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.815 9.374 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.801 7.802 -4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.982 6.666 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.037 7.732 -3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.160 8.646 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.831 8.741 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.568 10.449 -5.173 1.00 0.00 H new ATOM 1203 N LEU A 76 -10.167 7.435 -0.913 1.00 0.00 N ATOM 1204 CA LEU A 76 -9.812 6.798 0.350 1.00 0.00 C ATOM 1205 C LEU A 76 -9.042 7.761 1.248 1.00 0.00 C ATOM 1206 O LEU A 76 -9.022 7.605 2.468 1.00 0.00 O ATOM 1207 CB LEU A 76 -8.975 5.543 0.094 1.00 0.00 C ATOM 1208 CG LEU A 76 -9.272 4.343 0.994 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -9.002 4.688 2.450 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -10.711 3.882 0.811 1.00 0.00 C ATOM 0 H LEU A 76 -9.369 7.707 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.734 6.515 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.120 5.239 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.922 5.804 0.205 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.610 3.526 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.219 3.822 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.956 4.969 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.638 5.521 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.904 3.027 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.389 4.695 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.871 3.593 -0.228 1.00 0.00 H new ATOM 1222 N GLU A 77 -8.411 8.758 0.635 1.00 0.00 N ATOM 1223 CA GLU A 77 -7.641 9.747 1.379 1.00 0.00 C ATOM 1224 C GLU A 77 -6.460 9.094 2.091 1.00 0.00 C ATOM 1225 O GLU A 77 -6.106 9.474 3.206 1.00 0.00 O ATOM 1226 CB GLU A 77 -8.534 10.459 2.398 1.00 0.00 C ATOM 1227 CG GLU A 77 -9.850 10.949 1.818 1.00 0.00 C ATOM 1228 CD GLU A 77 -10.320 12.245 2.449 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -9.706 13.297 2.173 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -11.302 12.206 3.220 1.00 0.00 O ATOM 0 H GLU A 77 -8.418 8.902 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.256 10.479 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.742 9.779 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.991 11.308 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.738 11.092 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.613 10.183 1.960 1.00 0.00 H new ATOM 1237 N MET A 78 -5.854 8.109 1.436 1.00 0.00 N ATOM 1238 CA MET A 78 -4.712 7.403 2.005 1.00 0.00 C ATOM 1239 C MET A 78 -3.409 7.869 1.362 1.00 0.00 C ATOM 1240 O MET A 78 -2.608 7.056 0.904 1.00 0.00 O ATOM 1241 CB MET A 78 -4.874 5.893 1.819 1.00 0.00 C ATOM 1242 CG MET A 78 -4.952 5.465 0.362 1.00 0.00 C ATOM 1243 SD MET A 78 -5.678 3.828 0.157 1.00 0.00 S ATOM 1244 CE MET A 78 -4.205 2.816 0.035 1.00 0.00 C ATOM 0 H MET A 78 -6.135 7.782 0.511 1.00 0.00 H new ATOM 0 HA MET A 78 -4.672 7.628 3.071 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.035 5.385 2.294 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.778 5.567 2.334 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.542 6.192 -0.195 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.951 5.471 -0.068 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.432 1.802 0.362 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.862 2.795 -1.000 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.423 3.235 0.668 1.00 0.00 H new ATOM 1254 N GLU A 79 -3.206 9.183 1.333 1.00 0.00 N ATOM 1255 CA GLU A 79 -2.001 9.756 0.745 1.00 0.00 C ATOM 1256 C GLU A 79 -1.195 10.520 1.792 1.00 0.00 C ATOM 1257 O GLU A 79 -1.445 10.401 2.991 1.00 0.00 O ATOM 1258 CB GLU A 79 -2.365 10.686 -0.414 1.00 0.00 C ATOM 1259 CG GLU A 79 -3.618 10.265 -1.162 1.00 0.00 C ATOM 1260 CD GLU A 79 -4.865 10.960 -0.651 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -4.787 11.614 0.410 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -5.918 10.849 -1.312 1.00 0.00 O ATOM 0 H GLU A 79 -3.860 9.870 1.709 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.388 8.938 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.504 11.696 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.530 10.725 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.494 10.484 -2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.745 9.186 -1.072 1.00 0.00 H new ATOM 1269 N ASP A 80 -0.227 11.303 1.329 1.00 0.00 N ATOM 1270 CA ASP A 80 0.616 12.087 2.224 1.00 0.00 C ATOM 1271 C ASP A 80 1.442 11.177 3.128 1.00 0.00 C ATOM 1272 O ASP A 80 1.537 11.405 4.333 1.00 0.00 O ATOM 1273 CB ASP A 80 -0.241 13.028 3.072 1.00 0.00 C ATOM 1274 CG ASP A 80 0.474 14.323 3.401 1.00 0.00 C ATOM 1275 OD1 ASP A 80 0.564 15.194 2.511 1.00 0.00 O ATOM 1276 OD2 ASP A 80 0.945 14.467 4.549 1.00 0.00 O ATOM 0 H ASP A 80 -0.007 11.412 0.339 1.00 0.00 H new ATOM 0 HA ASP A 80 1.298 12.680 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.165 13.252 2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.520 12.525 3.998 1.00 0.00 H new ATOM 1281 N GLU A 81 2.038 10.146 2.536 1.00 0.00 N ATOM 1282 CA GLU A 81 2.854 9.202 3.290 1.00 0.00 C ATOM 1283 C GLU A 81 2.014 8.462 4.327 1.00 0.00 C ATOM 1284 O GLU A 81 2.379 8.391 5.500 1.00 0.00 O ATOM 1285 CB GLU A 81 4.011 9.930 3.979 1.00 0.00 C ATOM 1286 CG GLU A 81 4.753 10.893 3.068 1.00 0.00 C ATOM 1287 CD GLU A 81 5.968 11.508 3.735 1.00 0.00 C ATOM 1288 OE1 GLU A 81 6.112 11.353 4.965 1.00 0.00 O ATOM 1289 OE2 GLU A 81 6.775 12.143 3.025 1.00 0.00 O ATOM 0 H GLU A 81 1.971 9.944 1.538 1.00 0.00 H new ATOM 0 HA GLU A 81 3.259 8.472 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.624 10.480 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.715 9.193 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.066 10.366 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.075 11.686 2.755 1.00 0.00 H new ATOM 1296 N ASP A 82 0.887 7.915 3.885 1.00 0.00 N ATOM 1297 CA ASP A 82 -0.006 7.181 4.773 1.00 0.00 C ATOM 1298 C ASP A 82 0.568 5.807 5.107 1.00 0.00 C ATOM 1299 O ASP A 82 1.629 5.427 4.609 1.00 0.00 O ATOM 1300 CB ASP A 82 -1.386 7.028 4.132 1.00 0.00 C ATOM 1301 CG ASP A 82 -1.488 5.788 3.266 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -0.805 5.736 2.222 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -2.252 4.870 3.632 1.00 0.00 O ATOM 0 H ASP A 82 0.570 7.966 2.917 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.105 7.749 5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.144 6.985 4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.602 7.909 3.527 1.00 0.00 H new ATOM 1308 N THR A 83 -0.139 5.065 5.954 1.00 0.00 N ATOM 1309 CA THR A 83 0.301 3.735 6.356 1.00 0.00 C ATOM 1310 C THR A 83 -0.848 2.735 6.297 1.00 0.00 C ATOM 1311 O THR A 83 -1.800 2.824 7.073 1.00 0.00 O ATOM 1312 CB THR A 83 0.887 3.744 7.780 1.00 0.00 C ATOM 1313 OG1 THR A 83 1.792 4.844 7.931 1.00 0.00 O ATOM 1314 CG2 THR A 83 1.613 2.440 8.075 1.00 0.00 C ATOM 0 H THR A 83 -1.019 5.363 6.375 1.00 0.00 H new ATOM 0 HA THR A 83 1.078 3.433 5.654 1.00 0.00 H new ATOM 0 HB THR A 83 0.064 3.851 8.487 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.159 4.843 8.840 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.018 2.470 9.086 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.915 1.607 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.427 2.307 7.362 1.00 0.00 H new ATOM 1322 N ILE A 84 -0.752 1.784 5.374 1.00 0.00 N ATOM 1323 CA ILE A 84 -1.783 0.766 5.217 1.00 0.00 C ATOM 1324 C ILE A 84 -1.506 -0.440 6.108 1.00 0.00 C ATOM 1325 O ILE A 84 -0.388 -0.954 6.143 1.00 0.00 O ATOM 1326 CB ILE A 84 -1.892 0.296 3.754 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -1.896 1.499 2.808 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.146 -0.542 3.559 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -0.528 1.841 2.260 1.00 0.00 C ATOM 0 H ILE A 84 0.029 1.697 4.724 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.726 1.224 5.514 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.025 -0.323 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.571 1.295 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.294 2.365 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.209 -0.867 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.105 -1.415 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.024 0.054 3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.607 2.703 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.146 2.077 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.136 0.990 1.703 1.00 0.00 H new ATOM 1341 N ASP A 85 -2.531 -0.887 6.825 1.00 0.00 N ATOM 1342 CA ASP A 85 -2.398 -2.035 7.714 1.00 0.00 C ATOM 1343 C ASP A 85 -2.860 -3.314 7.022 1.00 0.00 C ATOM 1344 O ASP A 85 -3.896 -3.334 6.357 1.00 0.00 O ATOM 1345 CB ASP A 85 -3.207 -1.812 8.993 1.00 0.00 C ATOM 1346 CG ASP A 85 -2.379 -1.188 10.099 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -1.625 -1.927 10.766 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -2.485 0.040 10.298 1.00 0.00 O ATOM 0 H ASP A 85 -3.463 -0.472 6.808 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.345 -2.143 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.059 -1.168 8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.608 -2.765 9.337 1.00 0.00 H new ATOM 1353 N VAL A 86 -2.083 -4.381 7.183 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.412 -5.665 6.574 1.00 0.00 C ATOM 1355 C VAL A 86 -2.175 -6.812 7.549 1.00 0.00 C ATOM 1356 O VAL A 86 -1.153 -6.858 8.234 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.584 -5.909 5.299 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -1.821 -7.315 4.769 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -1.916 -4.869 4.240 1.00 0.00 C ATOM 0 H VAL A 86 -1.222 -4.382 7.730 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.469 -5.629 6.310 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.528 -5.814 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.228 -7.469 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.528 -8.043 5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.878 -7.442 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.321 -5.057 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.975 -4.929 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.690 -3.874 4.623 1.00 0.00 H new ATOM 1369 N PHE A 87 -3.126 -7.739 7.606 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.021 -8.888 8.498 1.00 0.00 C ATOM 1371 C PHE A 87 -2.459 -10.099 7.761 1.00 0.00 C ATOM 1372 O PHE A 87 -2.737 -10.303 6.579 1.00 0.00 O ATOM 1373 CB PHE A 87 -4.391 -9.227 9.090 1.00 0.00 C ATOM 1374 CG PHE A 87 -4.319 -9.803 10.475 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -4.291 -8.973 11.584 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -4.280 -11.174 10.669 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -4.225 -9.500 12.861 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -4.215 -11.707 11.942 1.00 0.00 C ATOM 1379 CZ PHE A 87 -4.186 -10.868 13.040 1.00 0.00 C ATOM 0 H PHE A 87 -3.978 -7.717 7.045 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.338 -8.628 9.306 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.002 -8.325 9.112 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.895 -9.938 8.435 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.321 -7.902 11.450 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.301 -11.834 9.815 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.204 -8.842 13.717 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.187 -12.778 12.079 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.133 -11.282 14.036 1.00 0.00 H new