USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 664 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 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 155:sc= -0.101 (180deg=-0.455) USER MOD Set 2.1: A 22 ASN : amide:sc= 0.011 X(o=0.011,f=0) USER MOD Set 2.2: A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -61:sc= -0.624 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0414 K(o=-0.041,f=-0.98) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 41 GLN : amide:sc= -1.67 K(o=-1.7,f=-2.5!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0607 X(o=-0.061,f=-0.22) USER MOD Single : A 67 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -3.4! C(o=-3.4!,f=-2.4!) USER MOD Single : A 78 GLN : amide:sc= -4.56 K(o=-4.6,f=-3.7!) USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= -0.302 (180deg=-1.99!) USER MOD Single : A 82 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.4!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.0364 K(o=-0.036,f=-1.1) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.29! C(o=-2.3!,f=-2.1!) USER MOD Single : A 105 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 16 -6.163 1.521 2.798 1.00 0.00 N ATOM 197 CA VAL A 16 -4.991 0.736 2.434 1.00 0.00 C ATOM 198 C VAL A 16 -5.073 -0.674 3.009 1.00 0.00 C ATOM 199 O VAL A 16 -5.634 -0.886 4.084 1.00 0.00 O ATOM 200 CB VAL A 16 -3.693 1.404 2.925 1.00 0.00 C ATOM 201 CG1 VAL A 16 -3.512 2.765 2.271 1.00 0.00 C ATOM 202 CG2 VAL A 16 -3.699 1.528 4.441 1.00 0.00 C ATOM 0 HA VAL A 16 -4.973 0.681 1.346 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.850 0.775 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.590 3.222 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.460 2.645 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.357 3.406 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.775 2.002 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.549 2.134 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.777 0.536 4.887 1.00 0.00 H new ATOM 212 N THR A 17 -4.510 -1.636 2.285 1.00 0.00 N ATOM 213 CA THR A 17 -4.520 -3.027 2.722 1.00 0.00 C ATOM 214 C THR A 17 -3.159 -3.679 2.510 1.00 0.00 C ATOM 215 O THR A 17 -2.567 -3.567 1.437 1.00 0.00 O ATOM 216 CB THR A 17 -5.590 -3.843 1.974 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.343 -3.799 0.564 1.00 0.00 O ATOM 218 CG2 THR A 17 -6.983 -3.306 2.267 1.00 0.00 C ATOM 0 H THR A 17 -4.041 -1.478 1.393 1.00 0.00 H new ATOM 0 HA THR A 17 -4.756 -3.023 3.786 1.00 0.00 H new ATOM 0 HB THR A 17 -5.536 -4.875 2.320 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.386 -2.871 0.253 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.722 -3.898 1.728 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.179 -3.368 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.047 -2.266 1.946 1.00 0.00 H new ATOM 226 N GLU A 18 -2.668 -4.363 3.540 1.00 0.00 N ATOM 227 CA GLU A 18 -1.376 -5.033 3.464 1.00 0.00 C ATOM 228 C GLU A 18 -1.532 -6.459 2.943 1.00 0.00 C ATOM 229 O GLU A 18 -2.413 -7.198 3.382 1.00 0.00 O ATOM 230 CB GLU A 18 -0.705 -5.052 4.840 1.00 0.00 C ATOM 231 CG GLU A 18 0.100 -3.800 5.142 1.00 0.00 C ATOM 232 CD GLU A 18 0.466 -3.681 6.608 1.00 0.00 C ATOM 233 OE1 GLU A 18 -0.455 -3.657 7.450 1.00 0.00 O ATOM 234 OE2 GLU A 18 1.675 -3.612 6.913 1.00 0.00 O ATOM 0 H GLU A 18 -3.146 -4.467 4.435 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.748 -4.477 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.470 -5.175 5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.048 -5.920 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.011 -3.805 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.473 -2.923 4.842 1.00 0.00 H new ATOM 241 N GLU A 19 -0.671 -6.837 2.003 1.00 0.00 N ATOM 242 CA GLU A 19 -0.715 -8.173 1.421 1.00 0.00 C ATOM 243 C GLU A 19 0.693 -8.691 1.141 1.00 0.00 C ATOM 244 O GLU A 19 1.574 -7.933 0.738 1.00 0.00 O ATOM 245 CB GLU A 19 -1.533 -8.164 0.128 1.00 0.00 C ATOM 246 CG GLU A 19 -1.280 -9.369 -0.762 1.00 0.00 C ATOM 247 CD GLU A 19 -2.493 -9.750 -1.588 1.00 0.00 C ATOM 248 OE1 GLU A 19 -2.752 -9.077 -2.607 1.00 0.00 O ATOM 249 OE2 GLU A 19 -3.183 -10.722 -1.215 1.00 0.00 O ATOM 0 H GLU A 19 0.064 -6.237 1.629 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.193 -8.839 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.593 -8.125 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.304 -7.256 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.444 -9.155 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.985 -10.217 -0.144 1.00 0.00 H new ATOM 256 N GLU A 20 0.895 -9.987 1.359 1.00 0.00 N ATOM 257 CA GLU A 20 2.195 -10.605 1.131 1.00 0.00 C ATOM 258 C GLU A 20 2.242 -11.287 -0.233 1.00 0.00 C ATOM 259 O GLU A 20 1.588 -12.307 -0.453 1.00 0.00 O ATOM 260 CB GLU A 20 2.500 -11.623 2.232 1.00 0.00 C ATOM 261 CG GLU A 20 3.983 -11.776 2.526 1.00 0.00 C ATOM 262 CD GLU A 20 4.271 -12.889 3.515 1.00 0.00 C ATOM 263 OE1 GLU A 20 4.220 -12.626 4.735 1.00 0.00 O ATOM 264 OE2 GLU A 20 4.547 -14.022 3.070 1.00 0.00 O ATOM 0 H GLU A 20 0.175 -10.628 1.693 1.00 0.00 H new ATOM 0 HA GLU A 20 2.950 -9.820 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.986 -11.323 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.094 -12.592 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.515 -11.975 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.370 -10.836 2.920 1.00 0.00 H new ATOM 271 N ILE A 21 3.020 -10.715 -1.147 1.00 0.00 N ATOM 272 CA ILE A 21 3.153 -11.267 -2.489 1.00 0.00 C ATOM 273 C ILE A 21 4.330 -12.233 -2.572 1.00 0.00 C ATOM 274 O ILE A 21 5.488 -11.825 -2.494 1.00 0.00 O ATOM 275 CB ILE A 21 3.341 -10.156 -3.539 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.197 -9.143 -3.451 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.420 -10.754 -4.935 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.834 -9.748 -3.704 1.00 0.00 C ATOM 0 H ILE A 21 3.567 -9.870 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 21 2.229 -11.804 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 21 4.278 -9.637 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.204 -8.684 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.372 -8.346 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.553 -9.956 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.265 -11.440 -4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.499 -11.295 -5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.072 -8.973 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.809 -10.182 -4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.638 -10.525 -2.966 1.00 0.00 H new ATOM 290 N ASN A 22 4.025 -13.517 -2.733 1.00 0.00 N ATOM 291 CA ASN A 22 5.058 -14.542 -2.828 1.00 0.00 C ATOM 292 C ASN A 22 5.471 -14.765 -4.280 1.00 0.00 C ATOM 293 O ASN A 22 4.695 -15.281 -5.085 1.00 0.00 O ATOM 294 CB ASN A 22 4.560 -15.855 -2.221 1.00 0.00 C ATOM 295 CG ASN A 22 3.811 -15.643 -0.919 1.00 0.00 C ATOM 296 OD1 ASN A 22 2.618 -15.933 -0.823 1.00 0.00 O ATOM 297 ND2 ASN A 22 4.509 -15.134 0.089 1.00 0.00 N ATOM 0 H ASN A 22 3.071 -13.872 -2.800 1.00 0.00 H new ATOM 0 HA ASN A 22 5.929 -14.198 -2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.907 -16.358 -2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.409 -16.516 -2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.058 -14.968 0.989 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.496 -14.909 -0.036 1.00 0.00 H new ATOM 304 N LEU A 23 6.697 -14.373 -4.607 1.00 0.00 N ATOM 305 CA LEU A 23 7.215 -14.530 -5.962 1.00 0.00 C ATOM 306 C LEU A 23 8.430 -15.452 -5.977 1.00 0.00 C ATOM 307 O LEU A 23 9.062 -15.682 -4.945 1.00 0.00 O ATOM 308 CB LEU A 23 7.588 -13.167 -6.548 1.00 0.00 C ATOM 309 CG LEU A 23 6.422 -12.226 -6.851 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.904 -10.786 -6.928 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.734 -12.629 -8.147 1.00 0.00 C ATOM 0 H LEU A 23 7.351 -13.944 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 23 6.433 -14.980 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.261 -12.667 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.146 -13.330 -7.470 1.00 0.00 H new ATOM 0 HG LEU A 23 5.699 -12.303 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.060 -10.131 -7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.350 -10.500 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.648 -10.693 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.907 -11.948 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.449 -12.582 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.353 -13.646 -8.056 1.00 0.00 H new ATOM 323 N THR A 24 8.754 -15.977 -7.154 1.00 0.00 N ATOM 324 CA THR A 24 9.893 -16.873 -7.305 1.00 0.00 C ATOM 325 C THR A 24 10.965 -16.255 -8.195 1.00 0.00 C ATOM 326 O THR A 24 10.656 -15.583 -9.179 1.00 0.00 O ATOM 327 CB THR A 24 9.468 -18.229 -7.899 1.00 0.00 C ATOM 328 OG1 THR A 24 8.402 -18.790 -7.125 1.00 0.00 O ATOM 329 CG2 THR A 24 10.641 -19.197 -7.933 1.00 0.00 C ATOM 0 H THR A 24 8.243 -15.797 -8.018 1.00 0.00 H new ATOM 0 HA THR A 24 10.301 -17.034 -6.307 1.00 0.00 H new ATOM 0 HB THR A 24 9.126 -18.062 -8.920 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.136 -19.651 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.316 -20.147 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.439 -18.780 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.009 -19.358 -6.920 1.00 0.00 H new ATOM 337 N ARG A 25 12.226 -16.487 -7.844 1.00 0.00 N ATOM 338 CA ARG A 25 13.343 -15.952 -8.612 1.00 0.00 C ATOM 339 C ARG A 25 13.640 -16.830 -9.825 1.00 0.00 C ATOM 340 O ARG A 25 13.613 -18.057 -9.737 1.00 0.00 O ATOM 341 CB ARG A 25 14.590 -15.844 -7.731 1.00 0.00 C ATOM 342 CG ARG A 25 15.849 -15.477 -8.500 1.00 0.00 C ATOM 343 CD ARG A 25 16.990 -15.120 -7.561 1.00 0.00 C ATOM 344 NE ARG A 25 17.774 -16.293 -7.182 1.00 0.00 N ATOM 345 CZ ARG A 25 18.693 -16.847 -7.964 1.00 0.00 C ATOM 346 NH1 ARG A 25 18.943 -16.338 -9.163 1.00 0.00 N ATOM 347 NH2 ARG A 25 19.365 -17.913 -7.548 1.00 0.00 N ATOM 0 H ARG A 25 12.499 -17.042 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 25 13.066 -14.958 -8.963 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.415 -15.095 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.749 -16.795 -7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.146 -16.312 -9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.641 -14.634 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.640 -14.389 -8.042 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.588 -14.648 -6.665 1.00 0.00 H new ATOM 0 HE ARG A 25 17.606 -16.709 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.429 -15.519 -9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.650 -16.766 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.176 -18.308 -6.627 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.071 -18.338 -8.150 1.00 0.00 H new ATOM 400 N LEU A 30 13.767 -11.236 -11.506 1.00 0.00 N ATOM 401 CA LEU A 30 12.337 -10.965 -11.416 1.00 0.00 C ATOM 402 C LEU A 30 11.792 -10.466 -12.750 1.00 0.00 C ATOM 403 O LEU A 30 12.551 -10.181 -13.675 1.00 0.00 O ATOM 404 CB LEU A 30 12.062 -9.932 -10.321 1.00 0.00 C ATOM 405 CG LEU A 30 12.439 -10.345 -8.898 1.00 0.00 C ATOM 406 CD1 LEU A 30 12.448 -9.136 -7.976 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.481 -11.408 -8.379 1.00 0.00 C ATOM 0 HA LEU A 30 11.831 -11.897 -11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.602 -9.018 -10.568 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.000 -9.689 -10.338 1.00 0.00 H new ATOM 0 HG LEU A 30 13.443 -10.769 -8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.718 -9.449 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.175 -8.408 -8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.457 -8.682 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.765 -11.690 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.466 -11.012 -8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.526 -12.285 -9.025 1.00 0.00 H new ATOM 419 N GLY A 31 10.469 -10.361 -12.841 1.00 0.00 N ATOM 420 CA GLY A 31 9.845 -9.894 -14.065 1.00 0.00 C ATOM 421 C GLY A 31 9.049 -8.620 -13.861 1.00 0.00 C ATOM 422 O GLY A 31 7.877 -8.545 -14.233 1.00 0.00 O ATOM 0 H GLY A 31 9.819 -10.591 -12.089 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.614 -9.722 -14.818 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.187 -10.672 -14.453 1.00 0.00 H new ATOM 426 N PHE A 32 9.684 -7.616 -13.267 1.00 0.00 N ATOM 427 CA PHE A 32 9.027 -6.340 -13.011 1.00 0.00 C ATOM 428 C PHE A 32 10.034 -5.293 -12.543 1.00 0.00 C ATOM 429 O PHE A 32 11.045 -5.622 -11.924 1.00 0.00 O ATOM 430 CB PHE A 32 7.927 -6.510 -11.961 1.00 0.00 C ATOM 431 CG PHE A 32 8.452 -6.787 -10.582 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.787 -8.076 -10.199 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.612 -5.758 -9.667 1.00 0.00 C ATOM 434 CE1 PHE A 32 9.271 -8.335 -8.931 1.00 0.00 C ATOM 435 CE2 PHE A 32 9.096 -6.011 -8.398 1.00 0.00 C ATOM 436 CZ PHE A 32 9.425 -7.300 -8.028 1.00 0.00 C ATOM 0 H PHE A 32 10.654 -7.661 -12.954 1.00 0.00 H new ATOM 0 HA PHE A 32 8.580 -5.997 -13.944 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.318 -5.606 -11.935 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.271 -7.327 -12.262 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.668 -8.888 -10.901 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.356 -4.748 -9.949 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.529 -9.344 -8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.217 -5.200 -7.695 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.802 -7.499 -7.036 1.00 0.00 H new ATOM 446 N ASN A 33 9.750 -4.030 -12.846 1.00 0.00 N ATOM 447 CA ASN A 33 10.631 -2.935 -12.458 1.00 0.00 C ATOM 448 C ASN A 33 10.093 -2.214 -11.225 1.00 0.00 C ATOM 449 O ASN A 33 8.882 -2.160 -11.005 1.00 0.00 O ATOM 450 CB ASN A 33 10.786 -1.944 -13.614 1.00 0.00 C ATOM 451 CG ASN A 33 11.941 -2.301 -14.530 1.00 0.00 C ATOM 452 OD1 ASN A 33 12.452 -3.421 -14.496 1.00 0.00 O ATOM 453 ND2 ASN A 33 12.359 -1.347 -15.354 1.00 0.00 N ATOM 0 H ASN A 33 8.917 -3.740 -13.359 1.00 0.00 H new ATOM 0 HA ASN A 33 11.607 -3.356 -12.214 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.862 -1.917 -14.192 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.940 -0.943 -13.212 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.133 -1.528 -15.993 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.906 -0.433 -15.348 1.00 0.00 H new ATOM 460 N ILE A 34 11.000 -1.663 -10.426 1.00 0.00 N ATOM 461 CA ILE A 34 10.616 -0.945 -9.217 1.00 0.00 C ATOM 462 C ILE A 34 11.255 0.439 -9.174 1.00 0.00 C ATOM 463 O ILE A 34 12.319 0.662 -9.751 1.00 0.00 O ATOM 464 CB ILE A 34 11.017 -1.723 -7.949 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.519 -2.016 -7.957 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.220 -3.015 -7.847 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.094 -2.258 -6.579 1.00 0.00 C ATOM 0 H ILE A 34 12.005 -1.700 -10.594 1.00 0.00 H new ATOM 0 HA ILE A 34 9.531 -0.841 -9.242 1.00 0.00 H new ATOM 0 HB ILE A 34 10.791 -1.109 -7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.707 -2.891 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.042 -1.178 -8.418 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.514 -3.554 -6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.156 -2.783 -7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.418 -3.635 -8.722 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.162 -2.459 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.937 -1.375 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.597 -3.114 -6.123 1.00 0.00 H new ATOM 479 N VAL A 35 10.599 1.366 -8.483 1.00 0.00 N ATOM 480 CA VAL A 35 11.104 2.728 -8.361 1.00 0.00 C ATOM 481 C VAL A 35 11.155 3.167 -6.902 1.00 0.00 C ATOM 482 O VAL A 35 10.132 3.209 -6.219 1.00 0.00 O ATOM 483 CB VAL A 35 10.235 3.722 -9.154 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.413 3.510 -10.650 1.00 0.00 C ATOM 485 CG2 VAL A 35 8.773 3.585 -8.758 1.00 0.00 C ATOM 0 H VAL A 35 9.717 1.198 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 35 12.113 2.729 -8.773 1.00 0.00 H new ATOM 0 HB VAL A 35 10.559 4.734 -8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.792 4.221 -11.195 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.459 3.663 -10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.116 2.494 -10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.174 4.295 -9.328 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.433 2.571 -8.968 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.664 3.791 -7.693 1.00 0.00 H new ATOM 495 N GLY A 36 12.354 3.494 -6.429 1.00 0.00 N ATOM 496 CA GLY A 36 12.516 3.926 -5.053 1.00 0.00 C ATOM 497 C GLY A 36 13.916 4.430 -4.765 1.00 0.00 C ATOM 498 O GLY A 36 14.779 4.423 -5.642 1.00 0.00 O ATOM 0 H GLY A 36 13.216 3.467 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.797 4.716 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.288 3.095 -4.385 1.00 0.00 H new ATOM 502 N GLY A 37 14.143 4.872 -3.531 1.00 0.00 N ATOM 503 CA GLY A 37 15.449 5.378 -3.152 1.00 0.00 C ATOM 504 C GLY A 37 15.436 6.868 -2.876 1.00 0.00 C ATOM 505 O GLY A 37 15.013 7.660 -3.718 1.00 0.00 O ATOM 0 H GLY A 37 13.445 4.888 -2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.796 4.850 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.163 5.165 -3.948 1.00 0.00 H new ATOM 509 N THR A 38 15.898 7.252 -1.690 1.00 0.00 N ATOM 510 CA THR A 38 15.935 8.657 -1.303 1.00 0.00 C ATOM 511 C THR A 38 16.529 9.518 -2.412 1.00 0.00 C ATOM 512 O THR A 38 16.319 10.730 -2.450 1.00 0.00 O ATOM 513 CB THR A 38 16.755 8.863 -0.015 1.00 0.00 C ATOM 514 OG1 THR A 38 18.089 8.376 -0.200 1.00 0.00 O ATOM 515 CG2 THR A 38 16.106 8.146 1.160 1.00 0.00 C ATOM 0 H THR A 38 16.252 6.610 -0.981 1.00 0.00 H new ATOM 0 HA THR A 38 14.904 8.962 -1.123 1.00 0.00 H new ATOM 0 HB THR A 38 16.786 9.931 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.604 8.512 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.703 8.306 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.102 8.540 1.317 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.048 7.078 0.948 1.00 0.00 H new ATOM 523 N ASP A 39 17.269 8.883 -3.314 1.00 0.00 N ATOM 524 CA ASP A 39 17.892 9.592 -4.427 1.00 0.00 C ATOM 525 C ASP A 39 17.048 9.466 -5.691 1.00 0.00 C ATOM 526 O ASP A 39 17.068 10.346 -6.551 1.00 0.00 O ATOM 527 CB ASP A 39 19.299 9.049 -4.681 1.00 0.00 C ATOM 528 CG ASP A 39 19.307 7.551 -4.920 1.00 0.00 C ATOM 529 OD1 ASP A 39 18.484 6.847 -4.300 1.00 0.00 O ATOM 530 OD2 ASP A 39 20.137 7.085 -5.728 1.00 0.00 O ATOM 0 H ASP A 39 17.452 7.880 -3.297 1.00 0.00 H new ATOM 0 HA ASP A 39 17.961 10.647 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.730 9.554 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.935 9.281 -3.827 1.00 0.00 H new ATOM 535 N GLN A 40 16.310 8.365 -5.797 1.00 0.00 N ATOM 536 CA GLN A 40 15.461 8.124 -6.958 1.00 0.00 C ATOM 537 C GLN A 40 14.025 7.837 -6.532 1.00 0.00 C ATOM 538 O GLN A 40 13.345 7.006 -7.133 1.00 0.00 O ATOM 539 CB GLN A 40 16.006 6.955 -7.780 1.00 0.00 C ATOM 540 CG GLN A 40 17.486 7.076 -8.104 1.00 0.00 C ATOM 541 CD GLN A 40 17.741 7.810 -9.406 1.00 0.00 C ATOM 542 OE1 GLN A 40 17.508 9.015 -9.509 1.00 0.00 O ATOM 543 NE2 GLN A 40 18.222 7.085 -10.410 1.00 0.00 N ATOM 0 H GLN A 40 16.283 7.627 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 40 15.465 9.024 -7.573 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.837 6.027 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.444 6.883 -8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.990 7.599 -7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.924 6.080 -8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.400 6.089 -10.280 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.413 7.524 -11.311 1.00 0.00 H new ATOM 552 N GLN A 41 13.572 8.529 -5.492 1.00 0.00 N ATOM 553 CA GLN A 41 12.217 8.346 -4.985 1.00 0.00 C ATOM 554 C GLN A 41 11.186 8.822 -6.004 1.00 0.00 C ATOM 555 O GLN A 41 11.121 10.008 -6.328 1.00 0.00 O ATOM 556 CB GLN A 41 12.036 9.102 -3.668 1.00 0.00 C ATOM 557 CG GLN A 41 12.887 10.358 -3.565 1.00 0.00 C ATOM 558 CD GLN A 41 12.321 11.367 -2.586 1.00 0.00 C ATOM 559 OE1 GLN A 41 12.576 12.567 -2.696 1.00 0.00 O ATOM 560 NE2 GLN A 41 11.548 10.886 -1.620 1.00 0.00 N ATOM 0 H GLN A 41 14.123 9.221 -4.984 1.00 0.00 H new ATOM 0 HA GLN A 41 12.063 7.281 -4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.986 9.374 -3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.283 8.437 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.896 10.084 -3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.969 10.819 -4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.363 9.884 -1.566 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.139 11.518 -0.932 1.00 0.00 H new ATOM 569 N TYR A 42 10.383 7.890 -6.505 1.00 0.00 N ATOM 570 CA TYR A 42 9.357 8.214 -7.489 1.00 0.00 C ATOM 571 C TYR A 42 8.711 9.561 -7.180 1.00 0.00 C ATOM 572 O TYR A 42 8.249 10.263 -8.079 1.00 0.00 O ATOM 573 CB TYR A 42 8.289 7.120 -7.522 1.00 0.00 C ATOM 574 CG TYR A 42 7.582 7.004 -8.854 1.00 0.00 C ATOM 575 CD1 TYR A 42 8.157 6.310 -9.911 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.338 7.589 -9.054 1.00 0.00 C ATOM 577 CE1 TYR A 42 7.515 6.202 -11.129 1.00 0.00 C ATOM 578 CE2 TYR A 42 5.687 7.486 -10.269 1.00 0.00 C ATOM 579 CZ TYR A 42 6.280 6.792 -11.303 1.00 0.00 C ATOM 580 OH TYR A 42 5.637 6.686 -12.515 1.00 0.00 O ATOM 0 H TYR A 42 10.423 6.904 -6.246 1.00 0.00 H new ATOM 0 HA TYR A 42 9.835 8.276 -8.467 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.753 6.163 -7.282 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.551 7.320 -6.745 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.123 5.847 -9.778 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.872 8.134 -8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.977 5.659 -11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.720 7.946 -10.408 1.00 0.00 H new ATOM 0 HH TYR A 42 4.778 7.156 -12.472 1.00 0.00 H new ATOM 590 N VAL A 43 8.684 9.917 -5.899 1.00 0.00 N ATOM 591 CA VAL A 43 8.097 11.180 -5.469 1.00 0.00 C ATOM 592 C VAL A 43 8.778 11.701 -4.208 1.00 0.00 C ATOM 593 O VAL A 43 9.194 10.924 -3.349 1.00 0.00 O ATOM 594 CB VAL A 43 6.587 11.036 -5.201 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.885 12.375 -5.368 1.00 0.00 C ATOM 596 CG2 VAL A 43 5.982 9.988 -6.123 1.00 0.00 C ATOM 0 H VAL A 43 9.062 9.348 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 43 8.248 11.891 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 43 6.447 10.706 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.819 12.254 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.302 13.095 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.030 12.738 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.915 9.898 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.131 10.287 -7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.466 9.027 -5.949 1.00 0.00 H new ATOM 606 N SER A 44 8.887 13.022 -4.103 1.00 0.00 N ATOM 607 CA SER A 44 9.520 13.648 -2.948 1.00 0.00 C ATOM 608 C SER A 44 8.954 13.086 -1.648 1.00 0.00 C ATOM 609 O SER A 44 9.659 12.981 -0.645 1.00 0.00 O ATOM 610 CB SER A 44 9.323 15.164 -2.991 1.00 0.00 C ATOM 611 OG SER A 44 10.393 15.836 -2.349 1.00 0.00 O ATOM 0 H SER A 44 8.545 13.679 -4.804 1.00 0.00 H new ATOM 0 HA SER A 44 10.587 13.427 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.251 15.495 -4.027 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.382 15.425 -2.506 1.00 0.00 H new ATOM 0 HG SER A 44 10.244 16.804 -2.392 1.00 0.00 H new ATOM 617 N ASN A 45 7.675 12.726 -1.673 1.00 0.00 N ATOM 618 CA ASN A 45 7.012 12.176 -0.497 1.00 0.00 C ATOM 619 C ASN A 45 6.968 10.652 -0.561 1.00 0.00 C ATOM 620 O ASN A 45 6.615 9.989 0.415 1.00 0.00 O ATOM 621 CB ASN A 45 5.593 12.734 -0.377 1.00 0.00 C ATOM 622 CG ASN A 45 5.110 12.782 1.060 1.00 0.00 C ATOM 623 OD1 ASN A 45 5.790 13.314 1.937 1.00 0.00 O ATOM 624 ND2 ASN A 45 3.930 12.225 1.306 1.00 0.00 N ATOM 0 H ASN A 45 7.077 12.805 -2.495 1.00 0.00 H new ATOM 0 HA ASN A 45 7.585 12.469 0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.563 13.738 -0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.913 12.119 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.553 12.227 2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.401 11.795 0.547 1.00 0.00 H new ATOM 631 N ASP A 46 7.328 10.103 -1.716 1.00 0.00 N ATOM 632 CA ASP A 46 7.331 8.657 -1.907 1.00 0.00 C ATOM 633 C ASP A 46 8.749 8.102 -1.830 1.00 0.00 C ATOM 634 O ASP A 46 9.327 7.704 -2.842 1.00 0.00 O ATOM 635 CB ASP A 46 6.702 8.299 -3.254 1.00 0.00 C ATOM 636 CG ASP A 46 5.215 8.591 -3.295 1.00 0.00 C ATOM 637 OD1 ASP A 46 4.629 8.842 -2.221 1.00 0.00 O ATOM 638 OD2 ASP A 46 4.636 8.569 -4.401 1.00 0.00 O ATOM 0 H ASP A 46 7.621 10.637 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 46 6.741 8.208 -1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.201 8.859 -4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.867 7.241 -3.459 1.00 0.00 H new ATOM 643 N SER A 47 9.306 8.079 -0.623 1.00 0.00 N ATOM 644 CA SER A 47 10.659 7.577 -0.415 1.00 0.00 C ATOM 645 C SER A 47 10.653 6.063 -0.223 1.00 0.00 C ATOM 646 O SER A 47 11.513 5.509 0.460 1.00 0.00 O ATOM 647 CB SER A 47 11.295 8.253 0.801 1.00 0.00 C ATOM 648 OG SER A 47 10.700 7.802 2.005 1.00 0.00 O ATOM 0 H SER A 47 8.841 8.402 0.225 1.00 0.00 H new ATOM 0 HA SER A 47 11.247 7.812 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.364 8.043 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.184 9.334 0.719 1.00 0.00 H new ATOM 0 HG SER A 47 11.125 8.248 2.767 1.00 0.00 H new ATOM 654 N GLY A 48 9.675 5.399 -0.832 1.00 0.00 N ATOM 655 CA GLY A 48 9.574 3.956 -0.717 1.00 0.00 C ATOM 656 C GLY A 48 9.820 3.251 -2.036 1.00 0.00 C ATOM 657 O GLY A 48 10.315 3.855 -2.988 1.00 0.00 O ATOM 0 H GLY A 48 8.951 5.835 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.294 3.602 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.583 3.693 -0.347 1.00 0.00 H new ATOM 661 N ILE A 49 9.477 1.968 -2.093 1.00 0.00 N ATOM 662 CA ILE A 49 9.664 1.181 -3.305 1.00 0.00 C ATOM 663 C ILE A 49 8.330 0.899 -3.989 1.00 0.00 C ATOM 664 O ILE A 49 7.444 0.269 -3.410 1.00 0.00 O ATOM 665 CB ILE A 49 10.366 -0.157 -3.004 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.403 0.025 -1.894 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.020 -0.707 -4.263 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.530 0.963 -2.268 1.00 0.00 C ATOM 0 H ILE A 49 9.068 1.452 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 49 10.293 1.771 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 49 9.619 -0.874 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.905 0.405 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.821 -0.948 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.512 -1.652 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.260 -0.869 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.758 0.006 -4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.227 1.045 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.053 0.574 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.123 1.948 -2.498 1.00 0.00 H new ATOM 680 N TYR A 50 8.195 1.368 -5.224 1.00 0.00 N ATOM 681 CA TYR A 50 6.969 1.168 -5.988 1.00 0.00 C ATOM 682 C TYR A 50 7.249 0.401 -7.276 1.00 0.00 C ATOM 683 O TYR A 50 8.394 0.057 -7.572 1.00 0.00 O ATOM 684 CB TYR A 50 6.320 2.514 -6.313 1.00 0.00 C ATOM 685 CG TYR A 50 6.064 3.373 -5.095 1.00 0.00 C ATOM 686 CD1 TYR A 50 7.115 3.824 -4.305 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.772 3.735 -4.735 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.885 4.608 -3.192 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.533 4.520 -3.624 1.00 0.00 C ATOM 690 CZ TYR A 50 5.593 4.954 -2.855 1.00 0.00 C ATOM 691 OH TYR A 50 5.361 5.736 -1.747 1.00 0.00 O ATOM 0 H TYR A 50 8.919 1.889 -5.718 1.00 0.00 H new ATOM 0 HA TYR A 50 6.283 0.580 -5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.962 3.060 -7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.376 2.338 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.128 3.557 -4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.940 3.397 -5.334 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.713 4.949 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.522 4.792 -3.359 1.00 0.00 H new ATOM 0 HH TYR A 50 4.398 5.889 -1.650 1.00 0.00 H new ATOM 701 N VAL A 51 6.195 0.137 -8.042 1.00 0.00 N ATOM 702 CA VAL A 51 6.326 -0.587 -9.300 1.00 0.00 C ATOM 703 C VAL A 51 5.994 0.310 -10.487 1.00 0.00 C ATOM 704 O VAL A 51 4.958 0.975 -10.506 1.00 0.00 O ATOM 705 CB VAL A 51 5.409 -1.824 -9.334 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.489 -2.512 -10.688 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.774 -2.788 -8.214 1.00 0.00 C ATOM 0 H VAL A 51 5.241 0.414 -7.813 1.00 0.00 H new ATOM 0 HA VAL A 51 7.364 -0.911 -9.372 1.00 0.00 H new ATOM 0 HB VAL A 51 4.381 -1.497 -9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.834 -3.384 -10.693 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.175 -1.818 -11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.515 -2.828 -10.875 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.116 -3.656 -8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.808 -3.110 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.659 -2.288 -7.252 1.00 0.00 H new ATOM 717 N SER A 52 6.880 0.323 -11.478 1.00 0.00 N ATOM 718 CA SER A 52 6.683 1.141 -12.669 1.00 0.00 C ATOM 719 C SER A 52 6.063 0.320 -13.795 1.00 0.00 C ATOM 720 O SER A 52 5.036 0.698 -14.361 1.00 0.00 O ATOM 721 CB SER A 52 8.015 1.736 -13.131 1.00 0.00 C ATOM 722 OG SER A 52 7.889 2.339 -14.407 1.00 0.00 O ATOM 0 H SER A 52 7.741 -0.224 -11.480 1.00 0.00 H new ATOM 0 HA SER A 52 6.000 1.951 -12.414 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.357 2.476 -12.408 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.773 0.954 -13.168 1.00 0.00 H new ATOM 0 HG SER A 52 8.753 2.713 -14.679 1.00 0.00 H new ATOM 728 N ARG A 53 6.693 -0.805 -14.116 1.00 0.00 N ATOM 729 CA ARG A 53 6.204 -1.679 -15.175 1.00 0.00 C ATOM 730 C ARG A 53 6.429 -3.145 -14.817 1.00 0.00 C ATOM 731 O ARG A 53 7.294 -3.470 -14.003 1.00 0.00 O ATOM 732 CB ARG A 53 6.902 -1.354 -16.497 1.00 0.00 C ATOM 733 CG ARG A 53 6.086 -1.725 -17.724 1.00 0.00 C ATOM 734 CD ARG A 53 5.038 -0.669 -18.037 1.00 0.00 C ATOM 735 NE ARG A 53 3.995 -1.178 -18.923 1.00 0.00 N ATOM 736 CZ ARG A 53 4.162 -1.355 -20.229 1.00 0.00 C ATOM 737 NH1 ARG A 53 5.325 -1.066 -20.797 1.00 0.00 N ATOM 738 NH2 ARG A 53 3.165 -1.823 -20.970 1.00 0.00 N ATOM 0 H ARG A 53 7.543 -1.133 -13.658 1.00 0.00 H new ATOM 0 HA ARG A 53 5.133 -1.509 -15.286 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.124 -0.287 -16.528 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.856 -1.880 -16.533 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.749 -1.846 -18.580 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.598 -2.686 -17.561 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.586 -0.320 -17.108 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.519 0.192 -18.501 1.00 0.00 H new ATOM 0 HE ARG A 53 3.089 -1.410 -18.517 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.094 -0.707 -20.231 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.451 -1.203 -21.800 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.269 -2.047 -20.537 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.295 -1.958 -21.973 1.00 0.00 H new ATOM 752 N ILE A 54 5.644 -4.026 -15.430 1.00 0.00 N ATOM 753 CA ILE A 54 5.758 -5.456 -15.175 1.00 0.00 C ATOM 754 C ILE A 54 5.872 -6.239 -16.479 1.00 0.00 C ATOM 755 O ILE A 54 5.020 -6.127 -17.360 1.00 0.00 O ATOM 756 CB ILE A 54 4.552 -5.984 -14.376 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.484 -5.307 -13.006 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.639 -7.495 -14.223 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.286 -5.725 -12.184 1.00 0.00 C ATOM 0 H ILE A 54 4.923 -3.774 -16.106 1.00 0.00 H new ATOM 0 HA ILE A 54 6.664 -5.600 -14.586 1.00 0.00 H new ATOM 0 HB ILE A 54 3.640 -5.746 -14.923 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.393 -5.537 -12.451 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.460 -4.226 -13.145 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.780 -7.853 -13.656 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.643 -7.961 -15.208 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.556 -7.755 -13.695 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.303 -5.206 -11.226 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.371 -5.470 -12.719 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.319 -6.801 -12.014 1.00 0.00 H new ATOM 771 N LYS A 55 6.930 -7.034 -16.595 1.00 0.00 N ATOM 772 CA LYS A 55 7.155 -7.839 -17.790 1.00 0.00 C ATOM 773 C LYS A 55 5.895 -8.607 -18.174 1.00 0.00 C ATOM 774 O LYS A 55 5.070 -8.930 -17.320 1.00 0.00 O ATOM 775 CB LYS A 55 8.311 -8.817 -17.561 1.00 0.00 C ATOM 776 CG LYS A 55 9.644 -8.134 -17.306 1.00 0.00 C ATOM 777 CD LYS A 55 10.352 -7.792 -18.607 1.00 0.00 C ATOM 778 CE LYS A 55 10.975 -9.025 -19.243 1.00 0.00 C ATOM 779 NZ LYS A 55 12.282 -9.371 -18.619 1.00 0.00 N ATOM 0 H LYS A 55 7.646 -7.138 -15.876 1.00 0.00 H new ATOM 0 HA LYS A 55 7.412 -7.166 -18.608 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.072 -9.457 -16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.405 -9.465 -18.432 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.483 -7.224 -16.728 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.279 -8.785 -16.705 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.642 -7.342 -19.301 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.126 -7.049 -18.417 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.292 -9.868 -19.146 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.117 -8.851 -20.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.674 -10.217 -19.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.943 -8.576 -18.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.143 -9.562 -17.606 1.00 0.00 H new ATOM 793 N GLU A 56 5.754 -8.897 -19.464 1.00 0.00 N ATOM 794 CA GLU A 56 4.594 -9.628 -19.959 1.00 0.00 C ATOM 795 C GLU A 56 4.810 -11.135 -19.845 1.00 0.00 C ATOM 796 O GLU A 56 3.856 -11.901 -19.718 1.00 0.00 O ATOM 797 CB GLU A 56 4.310 -9.252 -21.415 1.00 0.00 C ATOM 798 CG GLU A 56 5.495 -9.467 -22.342 1.00 0.00 C ATOM 799 CD GLU A 56 5.120 -9.346 -23.806 1.00 0.00 C ATOM 800 OE1 GLU A 56 3.927 -9.521 -24.130 1.00 0.00 O ATOM 801 OE2 GLU A 56 6.021 -9.076 -24.628 1.00 0.00 O ATOM 0 H GLU A 56 6.428 -8.637 -20.184 1.00 0.00 H new ATOM 0 HA GLU A 56 3.736 -9.354 -19.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.466 -9.840 -21.775 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.010 -8.205 -21.459 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.271 -8.738 -22.108 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.919 -10.454 -22.160 1.00 0.00 H new ATOM 808 N ASN A 57 6.071 -11.551 -19.892 1.00 0.00 N ATOM 809 CA ASN A 57 6.413 -12.965 -19.794 1.00 0.00 C ATOM 810 C ASN A 57 7.478 -13.195 -18.726 1.00 0.00 C ATOM 811 O ASN A 57 8.364 -14.033 -18.888 1.00 0.00 O ATOM 812 CB ASN A 57 6.910 -13.485 -21.145 1.00 0.00 C ATOM 813 CG ASN A 57 5.863 -13.355 -22.235 1.00 0.00 C ATOM 814 OD1 ASN A 57 6.112 -12.757 -23.282 1.00 0.00 O ATOM 815 ND2 ASN A 57 4.684 -13.915 -21.993 1.00 0.00 N ATOM 0 H ASN A 57 6.873 -10.929 -19.997 1.00 0.00 H new ATOM 0 HA ASN A 57 5.514 -13.512 -19.509 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.804 -12.934 -21.437 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.198 -14.531 -21.045 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.940 -13.859 -22.689 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.522 -14.401 -21.111 1.00 0.00 H new ATOM 822 N GLY A 58 7.383 -12.444 -17.633 1.00 0.00 N ATOM 823 CA GLY A 58 8.343 -12.581 -16.553 1.00 0.00 C ATOM 824 C GLY A 58 7.798 -13.389 -15.392 1.00 0.00 C ATOM 825 O GLY A 58 6.782 -14.070 -15.523 1.00 0.00 O ATOM 0 H GLY A 58 6.659 -11.743 -17.476 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.246 -13.059 -16.932 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.631 -11.591 -16.199 1.00 0.00 H new ATOM 829 N ALA A 59 8.477 -13.313 -14.251 1.00 0.00 N ATOM 830 CA ALA A 59 8.054 -14.043 -13.062 1.00 0.00 C ATOM 831 C ALA A 59 6.786 -13.438 -12.469 1.00 0.00 C ATOM 832 O ALA A 59 5.831 -14.152 -12.164 1.00 0.00 O ATOM 833 CB ALA A 59 9.169 -14.055 -12.027 1.00 0.00 C ATOM 0 H ALA A 59 9.321 -12.754 -14.126 1.00 0.00 H new ATOM 0 HA ALA A 59 7.833 -15.069 -13.355 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.840 -14.603 -11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.050 -14.539 -12.447 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.416 -13.031 -11.747 1.00 0.00 H new ATOM 839 N ALA A 60 6.785 -12.119 -12.307 1.00 0.00 N ATOM 840 CA ALA A 60 5.633 -11.419 -11.751 1.00 0.00 C ATOM 841 C ALA A 60 4.423 -11.536 -12.672 1.00 0.00 C ATOM 842 O ALA A 60 3.301 -11.749 -12.213 1.00 0.00 O ATOM 843 CB ALA A 60 5.973 -9.956 -11.506 1.00 0.00 C ATOM 0 H ALA A 60 7.568 -11.514 -12.553 1.00 0.00 H new ATOM 0 HA ALA A 60 5.379 -11.886 -10.799 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.104 -9.445 -11.091 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.804 -9.888 -10.804 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.255 -9.485 -12.448 1.00 0.00 H new ATOM 849 N ALA A 61 4.659 -11.393 -13.972 1.00 0.00 N ATOM 850 CA ALA A 61 3.588 -11.484 -14.957 1.00 0.00 C ATOM 851 C ALA A 61 2.822 -12.795 -14.815 1.00 0.00 C ATOM 852 O ALA A 61 1.592 -12.803 -14.750 1.00 0.00 O ATOM 853 CB ALA A 61 4.152 -11.349 -16.363 1.00 0.00 C ATOM 0 H ALA A 61 5.582 -11.214 -14.367 1.00 0.00 H new ATOM 0 HA ALA A 61 2.891 -10.665 -14.777 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.341 -11.419 -17.088 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.648 -10.384 -16.465 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.871 -12.148 -16.545 1.00 0.00 H new ATOM 859 N LEU A 62 3.555 -13.901 -14.770 1.00 0.00 N ATOM 860 CA LEU A 62 2.945 -15.219 -14.637 1.00 0.00 C ATOM 861 C LEU A 62 2.191 -15.340 -13.316 1.00 0.00 C ATOM 862 O LEU A 62 1.012 -15.692 -13.292 1.00 0.00 O ATOM 863 CB LEU A 62 4.013 -16.310 -14.729 1.00 0.00 C ATOM 864 CG LEU A 62 4.795 -16.374 -16.041 1.00 0.00 C ATOM 865 CD1 LEU A 62 6.132 -17.070 -15.832 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.983 -17.087 -17.112 1.00 0.00 C ATOM 0 H LEU A 62 4.574 -13.912 -14.824 1.00 0.00 H new ATOM 0 HA LEU A 62 2.234 -15.346 -15.453 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.722 -16.166 -13.913 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.533 -17.275 -14.568 1.00 0.00 H new ATOM 0 HG LEU A 62 4.987 -15.355 -16.377 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.675 -17.106 -16.777 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.719 -16.518 -15.097 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.962 -18.085 -15.472 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.555 -17.123 -18.039 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.760 -18.102 -16.784 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.051 -16.547 -17.282 1.00 0.00 H new ATOM 878 N ASP A 63 2.880 -15.043 -12.219 1.00 0.00 N ATOM 879 CA ASP A 63 2.275 -15.115 -10.894 1.00 0.00 C ATOM 880 C ASP A 63 0.932 -14.391 -10.870 1.00 0.00 C ATOM 881 O ASP A 63 -0.051 -14.903 -10.336 1.00 0.00 O ATOM 882 CB ASP A 63 3.213 -14.510 -9.848 1.00 0.00 C ATOM 883 CG ASP A 63 3.016 -15.117 -8.473 1.00 0.00 C ATOM 884 OD1 ASP A 63 1.958 -14.865 -7.860 1.00 0.00 O ATOM 885 OD2 ASP A 63 3.919 -15.844 -8.010 1.00 0.00 O ATOM 0 H ASP A 63 3.857 -14.750 -12.221 1.00 0.00 H new ATOM 0 HA ASP A 63 2.106 -16.165 -10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.246 -14.657 -10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.047 -13.434 -9.794 1.00 0.00 H new ATOM 890 N GLY A 64 0.900 -13.195 -11.450 1.00 0.00 N ATOM 891 CA GLY A 64 -0.327 -12.420 -11.483 1.00 0.00 C ATOM 892 C GLY A 64 -0.580 -11.680 -10.184 1.00 0.00 C ATOM 893 O GLY A 64 -1.065 -10.549 -10.190 1.00 0.00 O ATOM 0 H GLY A 64 1.701 -12.749 -11.897 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.278 -11.703 -12.303 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.167 -13.083 -11.689 1.00 0.00 H new ATOM 897 N ARG A 65 -0.253 -12.321 -9.067 1.00 0.00 N ATOM 898 CA ARG A 65 -0.450 -11.718 -7.754 1.00 0.00 C ATOM 899 C ARG A 65 -0.132 -10.226 -7.788 1.00 0.00 C ATOM 900 O ARG A 65 -1.009 -9.388 -7.575 1.00 0.00 O ATOM 901 CB ARG A 65 0.427 -12.414 -6.712 1.00 0.00 C ATOM 902 CG ARG A 65 -0.243 -13.608 -6.051 1.00 0.00 C ATOM 903 CD ARG A 65 -0.939 -13.210 -4.758 1.00 0.00 C ATOM 904 NE ARG A 65 -1.775 -12.025 -4.929 1.00 0.00 N ATOM 905 CZ ARG A 65 -2.825 -11.750 -4.163 1.00 0.00 C ATOM 906 NH1 ARG A 65 -3.166 -12.572 -3.179 1.00 0.00 N ATOM 907 NH2 ARG A 65 -3.537 -10.652 -4.380 1.00 0.00 N ATOM 0 H ARG A 65 0.150 -13.258 -9.045 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.497 -11.843 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.350 -12.744 -7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.705 -11.693 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.969 -14.045 -6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.502 -14.376 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.553 -14.039 -4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.192 -13.018 -3.988 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.540 -11.373 -5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.621 -13.418 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.973 -12.358 -2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.279 -10.018 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.343 -10.442 -3.791 1.00 0.00 H new ATOM 921 N LEU A 66 1.128 -9.902 -8.056 1.00 0.00 N ATOM 922 CA LEU A 66 1.564 -8.511 -8.117 1.00 0.00 C ATOM 923 C LEU A 66 0.899 -7.783 -9.281 1.00 0.00 C ATOM 924 O LEU A 66 0.409 -8.411 -10.219 1.00 0.00 O ATOM 925 CB LEU A 66 3.085 -8.437 -8.257 1.00 0.00 C ATOM 926 CG LEU A 66 3.731 -7.106 -7.872 1.00 0.00 C ATOM 927 CD1 LEU A 66 3.633 -6.880 -6.371 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.183 -7.067 -8.325 1.00 0.00 C ATOM 0 H LEU A 66 1.866 -10.583 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 66 1.267 -8.023 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.525 -9.222 -7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.346 -8.658 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 66 3.192 -6.303 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.098 -5.928 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.585 -6.863 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.146 -7.687 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.627 -6.112 -8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.734 -7.878 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.230 -7.182 -9.408 1.00 0.00 H new ATOM 940 N GLN A 67 0.888 -6.455 -9.214 1.00 0.00 N ATOM 941 CA GLN A 67 0.285 -5.642 -10.263 1.00 0.00 C ATOM 942 C GLN A 67 0.875 -4.236 -10.270 1.00 0.00 C ATOM 943 O GLN A 67 1.321 -3.736 -9.238 1.00 0.00 O ATOM 944 CB GLN A 67 -1.231 -5.571 -10.074 1.00 0.00 C ATOM 945 CG GLN A 67 -1.651 -4.967 -8.744 1.00 0.00 C ATOM 946 CD GLN A 67 -3.156 -4.882 -8.590 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.717 -5.333 -7.591 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.821 -4.302 -9.583 1.00 0.00 N ATOM 0 H GLN A 67 1.290 -5.920 -8.444 1.00 0.00 H new ATOM 0 HA GLN A 67 0.503 -6.112 -11.222 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.662 -4.982 -10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.646 -6.576 -10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.240 -5.566 -7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.223 -3.969 -8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.316 -3.942 -10.393 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.836 -4.217 -9.536 1.00 0.00 H new ATOM 957 N GLU A 68 0.875 -3.605 -11.440 1.00 0.00 N ATOM 958 CA GLU A 68 1.412 -2.256 -11.579 1.00 0.00 C ATOM 959 C GLU A 68 0.749 -1.302 -10.590 1.00 0.00 C ATOM 960 O GLU A 68 -0.476 -1.234 -10.502 1.00 0.00 O ATOM 961 CB GLU A 68 1.211 -1.749 -13.008 1.00 0.00 C ATOM 962 CG GLU A 68 2.340 -2.125 -13.953 1.00 0.00 C ATOM 963 CD GLU A 68 2.087 -1.667 -15.376 1.00 0.00 C ATOM 964 OE1 GLU A 68 1.356 -0.672 -15.559 1.00 0.00 O ATOM 965 OE2 GLU A 68 2.621 -2.305 -16.308 1.00 0.00 O ATOM 0 H GLU A 68 0.510 -4.005 -12.304 1.00 0.00 H new ATOM 0 HA GLU A 68 2.479 -2.292 -11.361 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.275 -2.148 -13.398 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.111 -0.664 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.271 -1.686 -13.594 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.473 -3.207 -13.942 1.00 0.00 H new ATOM 972 N GLY A 69 1.570 -0.565 -9.847 1.00 0.00 N ATOM 973 CA GLY A 69 1.046 0.376 -8.874 1.00 0.00 C ATOM 974 C GLY A 69 1.065 -0.178 -7.463 1.00 0.00 C ATOM 975 O GLY A 69 0.233 0.188 -6.634 1.00 0.00 O ATOM 0 H GLY A 69 2.588 -0.603 -9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.633 1.294 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.024 0.641 -9.143 1.00 0.00 H new ATOM 979 N ASP A 70 2.016 -1.065 -7.191 1.00 0.00 N ATOM 980 CA ASP A 70 2.141 -1.672 -5.871 1.00 0.00 C ATOM 981 C ASP A 70 3.343 -1.104 -5.123 1.00 0.00 C ATOM 982 O ASP A 70 4.442 -1.013 -5.670 1.00 0.00 O ATOM 983 CB ASP A 70 2.271 -3.190 -5.994 1.00 0.00 C ATOM 984 CG ASP A 70 0.946 -3.863 -6.293 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.047 -3.187 -6.836 1.00 0.00 O ATOM 986 OD2 ASP A 70 0.808 -5.065 -5.984 1.00 0.00 O ATOM 0 H ASP A 70 2.712 -1.380 -7.867 1.00 0.00 H new ATOM 0 HA ASP A 70 1.240 -1.438 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.982 -3.428 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.679 -3.593 -5.067 1.00 0.00 H new ATOM 991 N LYS A 71 3.127 -0.723 -3.869 1.00 0.00 N ATOM 992 CA LYS A 71 4.192 -0.164 -3.044 1.00 0.00 C ATOM 993 C LYS A 71 4.739 -1.211 -2.079 1.00 0.00 C ATOM 994 O LYS A 71 4.137 -1.484 -1.039 1.00 0.00 O ATOM 995 CB LYS A 71 3.678 1.047 -2.263 1.00 0.00 C ATOM 996 CG LYS A 71 4.772 1.814 -1.541 1.00 0.00 C ATOM 997 CD LYS A 71 5.038 1.241 -0.159 1.00 0.00 C ATOM 998 CE LYS A 71 5.563 2.303 0.794 1.00 0.00 C ATOM 999 NZ LYS A 71 4.533 3.337 1.094 1.00 0.00 N ATOM 0 H LYS A 71 2.223 -0.791 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 71 5.000 0.154 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.166 1.721 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.939 0.712 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.688 1.784 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.485 2.862 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.119 0.814 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.761 0.429 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.885 1.831 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.441 2.780 0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.739 3.775 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.547 4.066 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.593 2.892 1.124 1.00 0.00 H new ATOM 1013 N ILE A 72 5.881 -1.792 -2.428 1.00 0.00 N ATOM 1014 CA ILE A 72 6.509 -2.806 -1.590 1.00 0.00 C ATOM 1015 C ILE A 72 7.016 -2.204 -0.284 1.00 0.00 C ATOM 1016 O ILE A 72 8.032 -1.509 -0.261 1.00 0.00 O ATOM 1017 CB ILE A 72 7.683 -3.489 -2.317 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.200 -4.136 -3.617 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.335 -4.525 -1.413 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.305 -4.364 -4.625 1.00 0.00 C ATOM 0 H ILE A 72 6.391 -1.578 -3.285 1.00 0.00 H new ATOM 0 HA ILE A 72 5.744 -3.551 -1.371 1.00 0.00 H new ATOM 0 HB ILE A 72 8.427 -2.732 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.728 -5.091 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.435 -3.503 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.163 -4.999 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.710 -4.038 -0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.600 -5.281 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.890 -4.825 -5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.762 -3.409 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.060 -5.022 -4.195 1.00 0.00 H new ATOM 1032 N LEU A 73 6.301 -2.477 0.802 1.00 0.00 N ATOM 1033 CA LEU A 73 6.679 -1.964 2.115 1.00 0.00 C ATOM 1034 C LEU A 73 7.905 -2.694 2.653 1.00 0.00 C ATOM 1035 O LEU A 73 8.953 -2.088 2.877 1.00 0.00 O ATOM 1036 CB LEU A 73 5.514 -2.109 3.095 1.00 0.00 C ATOM 1037 CG LEU A 73 4.128 -1.771 2.545 1.00 0.00 C ATOM 1038 CD1 LEU A 73 3.059 -2.594 3.248 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.842 -0.283 2.696 1.00 0.00 C ATOM 0 H LEU A 73 5.457 -3.050 0.800 1.00 0.00 H new ATOM 0 HA LEU A 73 6.927 -0.908 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.498 -3.136 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.707 -1.469 3.956 1.00 0.00 H new ATOM 0 HG LEU A 73 4.110 -2.019 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.079 -2.340 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.253 -3.655 3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.077 -2.378 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.851 -0.061 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.880 -0.010 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.590 0.289 2.146 1.00 0.00 H new ATOM 1051 N SER A 74 7.768 -4.000 2.856 1.00 0.00 N ATOM 1052 CA SER A 74 8.864 -4.814 3.370 1.00 0.00 C ATOM 1053 C SER A 74 9.155 -5.984 2.435 1.00 0.00 C ATOM 1054 O SER A 74 8.296 -6.404 1.660 1.00 0.00 O ATOM 1055 CB SER A 74 8.529 -5.334 4.769 1.00 0.00 C ATOM 1056 OG SER A 74 8.169 -4.272 5.635 1.00 0.00 O ATOM 0 H SER A 74 6.909 -4.518 2.672 1.00 0.00 H new ATOM 0 HA SER A 74 9.754 -4.187 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.710 -6.051 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.388 -5.866 5.178 1.00 0.00 H new ATOM 0 HG SER A 74 7.958 -4.631 6.522 1.00 0.00 H new ATOM 1062 N VAL A 75 10.375 -6.507 2.516 1.00 0.00 N ATOM 1063 CA VAL A 75 10.781 -7.630 1.679 1.00 0.00 C ATOM 1064 C VAL A 75 11.233 -8.813 2.528 1.00 0.00 C ATOM 1065 O VAL A 75 12.333 -8.811 3.078 1.00 0.00 O ATOM 1066 CB VAL A 75 11.922 -7.233 0.723 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.339 -8.420 -0.132 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.503 -6.059 -0.148 1.00 0.00 C ATOM 0 H VAL A 75 11.098 -6.171 3.152 1.00 0.00 H new ATOM 0 HA VAL A 75 9.909 -7.919 1.093 1.00 0.00 H new ATOM 0 HB VAL A 75 12.781 -6.925 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.146 -8.121 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.683 -9.229 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.487 -8.762 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.321 -5.792 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.629 -6.337 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.258 -5.206 0.485 1.00 0.00 H new ATOM 1078 N ASN A 76 10.374 -9.823 2.630 1.00 0.00 N ATOM 1079 CA ASN A 76 10.684 -11.013 3.413 1.00 0.00 C ATOM 1080 C ASN A 76 10.874 -10.662 4.885 1.00 0.00 C ATOM 1081 O ASN A 76 11.560 -11.372 5.620 1.00 0.00 O ATOM 1082 CB ASN A 76 11.945 -11.691 2.871 1.00 0.00 C ATOM 1083 CG ASN A 76 11.707 -12.376 1.539 1.00 0.00 C ATOM 1084 OD1 ASN A 76 11.135 -13.464 1.482 1.00 0.00 O ATOM 1085 ND2 ASN A 76 12.147 -11.739 0.460 1.00 0.00 N ATOM 0 H ASN A 76 9.459 -9.840 2.180 1.00 0.00 H new ATOM 0 HA ASN A 76 9.844 -11.702 3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.734 -10.947 2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.300 -12.424 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.016 -12.150 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.616 -10.838 0.555 1.00 0.00 H new ATOM 1092 N GLY A 77 10.261 -9.562 5.310 1.00 0.00 N ATOM 1093 CA GLY A 77 10.374 -9.136 6.692 1.00 0.00 C ATOM 1094 C GLY A 77 11.202 -7.875 6.845 1.00 0.00 C ATOM 1095 O GLY A 77 11.078 -7.161 7.839 1.00 0.00 O ATOM 0 H GLY A 77 9.688 -8.958 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.377 -8.964 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.824 -9.936 7.280 1.00 0.00 H new ATOM 1099 N GLN A 78 12.049 -7.603 5.857 1.00 0.00 N ATOM 1100 CA GLN A 78 12.902 -6.421 5.888 1.00 0.00 C ATOM 1101 C GLN A 78 12.100 -5.162 5.574 1.00 0.00 C ATOM 1102 O GLN A 78 11.373 -5.109 4.582 1.00 0.00 O ATOM 1103 CB GLN A 78 14.052 -6.570 4.890 1.00 0.00 C ATOM 1104 CG GLN A 78 15.024 -7.683 5.244 1.00 0.00 C ATOM 1105 CD GLN A 78 14.419 -9.063 5.074 1.00 0.00 C ATOM 1106 OE1 GLN A 78 13.740 -9.569 5.967 1.00 0.00 O ATOM 1107 NE2 GLN A 78 14.663 -9.679 3.923 1.00 0.00 N ATOM 0 H GLN A 78 12.163 -8.184 5.027 1.00 0.00 H new ATOM 0 HA GLN A 78 13.313 -6.326 6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.640 -6.761 3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.597 -5.628 4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.911 -7.599 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.352 -7.559 6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 78 15.232 -9.222 3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.282 -10.609 3.752 1.00 0.00 H new ATOM 1116 N ASP A 79 12.237 -4.151 6.425 1.00 0.00 N ATOM 1117 CA ASP A 79 11.526 -2.892 6.238 1.00 0.00 C ATOM 1118 C ASP A 79 12.274 -1.985 5.266 1.00 0.00 C ATOM 1119 O ASP A 79 13.440 -1.652 5.483 1.00 0.00 O ATOM 1120 CB ASP A 79 11.342 -2.182 7.580 1.00 0.00 C ATOM 1121 CG ASP A 79 11.176 -3.154 8.731 1.00 0.00 C ATOM 1122 OD1 ASP A 79 12.104 -3.954 8.972 1.00 0.00 O ATOM 1123 OD2 ASP A 79 10.117 -3.114 9.393 1.00 0.00 O ATOM 0 H ASP A 79 12.834 -4.179 7.251 1.00 0.00 H new ATOM 0 HA ASP A 79 10.546 -3.115 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.203 -1.542 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.468 -1.533 7.527 1.00 0.00 H new ATOM 1128 N LEU A 80 11.597 -1.588 4.195 1.00 0.00 N ATOM 1129 CA LEU A 80 12.197 -0.719 3.188 1.00 0.00 C ATOM 1130 C LEU A 80 11.888 0.746 3.479 1.00 0.00 C ATOM 1131 O LEU A 80 10.823 1.250 3.120 1.00 0.00 O ATOM 1132 CB LEU A 80 11.689 -1.093 1.795 1.00 0.00 C ATOM 1133 CG LEU A 80 11.643 -2.588 1.476 1.00 0.00 C ATOM 1134 CD1 LEU A 80 10.793 -2.844 0.241 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.049 -3.135 1.281 1.00 0.00 C ATOM 0 H LEU A 80 10.632 -1.854 4.001 1.00 0.00 H new ATOM 0 HA LEU A 80 13.278 -0.857 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.685 -0.685 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.323 -0.603 1.056 1.00 0.00 H new ATOM 0 HG LEU A 80 11.187 -3.106 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.772 -3.913 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.778 -2.489 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.219 -2.314 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.997 -4.200 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.532 -2.612 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.627 -2.986 2.193 1.00 0.00 H new ATOM 1147 N LYS A 81 12.826 1.426 4.129 1.00 0.00 N ATOM 1148 CA LYS A 81 12.656 2.834 4.465 1.00 0.00 C ATOM 1149 C LYS A 81 14.005 3.500 4.717 1.00 0.00 C ATOM 1150 O LYS A 81 14.861 2.947 5.406 1.00 0.00 O ATOM 1151 CB LYS A 81 11.764 2.981 5.700 1.00 0.00 C ATOM 1152 CG LYS A 81 12.430 2.528 6.988 1.00 0.00 C ATOM 1153 CD LYS A 81 11.538 2.777 8.194 1.00 0.00 C ATOM 1154 CE LYS A 81 10.475 1.699 8.332 1.00 0.00 C ATOM 1155 NZ LYS A 81 9.275 1.993 7.500 1.00 0.00 N ATOM 0 H LYS A 81 13.713 1.024 4.434 1.00 0.00 H new ATOM 0 HA LYS A 81 12.179 3.328 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.468 4.025 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.852 2.404 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.667 1.466 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.374 3.058 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.146 2.807 9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.059 3.752 8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.894 0.736 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.180 1.612 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.424 1.972 8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.373 2.935 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.189 1.278 6.750 1.00 0.00 H new ATOM 1169 N ASN A 82 14.187 4.691 4.156 1.00 0.00 N ATOM 1170 CA ASN A 82 15.432 5.432 4.321 1.00 0.00 C ATOM 1171 C ASN A 82 16.587 4.716 3.627 1.00 0.00 C ATOM 1172 O ASN A 82 17.649 4.511 4.216 1.00 0.00 O ATOM 1173 CB ASN A 82 15.749 5.613 5.807 1.00 0.00 C ATOM 1174 CG ASN A 82 14.537 6.048 6.607 1.00 0.00 C ATOM 1175 OD1 ASN A 82 13.837 5.222 7.194 1.00 0.00 O ATOM 1176 ND2 ASN A 82 14.283 7.351 6.635 1.00 0.00 N ATOM 0 H ASN A 82 13.488 5.164 3.583 1.00 0.00 H new ATOM 0 HA ASN A 82 15.306 6.412 3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.131 4.675 6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.540 6.354 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.481 7.703 7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.890 8.000 6.134 1.00 0.00 H new ATOM 1183 N LEU A 83 16.373 4.339 2.371 1.00 0.00 N ATOM 1184 CA LEU A 83 17.396 3.646 1.595 1.00 0.00 C ATOM 1185 C LEU A 83 17.461 4.191 0.172 1.00 0.00 C ATOM 1186 O LEU A 83 16.626 5.000 -0.234 1.00 0.00 O ATOM 1187 CB LEU A 83 17.113 2.144 1.567 1.00 0.00 C ATOM 1188 CG LEU A 83 15.685 1.737 1.199 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.329 2.237 -0.193 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.523 0.226 1.281 1.00 0.00 C ATOM 0 H LEU A 83 15.500 4.501 1.868 1.00 0.00 H new ATOM 0 HA LEU A 83 18.360 3.818 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.797 1.679 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.345 1.732 2.549 1.00 0.00 H new ATOM 0 HG LEU A 83 15.002 2.196 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.310 1.938 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.405 3.324 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.017 1.808 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.501 -0.045 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.216 -0.252 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.735 -0.108 2.297 1.00 0.00 H new ATOM 1202 N LEU A 84 18.457 3.740 -0.583 1.00 0.00 N ATOM 1203 CA LEU A 84 18.630 4.179 -1.964 1.00 0.00 C ATOM 1204 C LEU A 84 18.122 3.122 -2.940 1.00 0.00 C ATOM 1205 O LEU A 84 17.952 1.958 -2.577 1.00 0.00 O ATOM 1206 CB LEU A 84 20.103 4.481 -2.242 1.00 0.00 C ATOM 1207 CG LEU A 84 20.832 5.304 -1.180 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.307 4.937 -1.140 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.658 6.792 -1.445 1.00 0.00 C ATOM 0 H LEU A 84 19.157 3.071 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 84 18.046 5.088 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.630 3.535 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.172 5.010 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 84 20.395 5.075 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.810 5.533 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.412 3.879 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.758 5.136 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.184 7.362 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.068 7.037 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.598 7.044 -1.421 1.00 0.00 H new ATOM 1221 N HIS A 85 17.884 3.536 -4.180 1.00 0.00 N ATOM 1222 CA HIS A 85 17.398 2.624 -5.210 1.00 0.00 C ATOM 1223 C HIS A 85 18.236 1.349 -5.246 1.00 0.00 C ATOM 1224 O HIS A 85 17.698 0.243 -5.284 1.00 0.00 O ATOM 1225 CB HIS A 85 17.426 3.305 -6.578 1.00 0.00 C ATOM 1226 CG HIS A 85 16.988 2.414 -7.700 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.711 1.902 -7.800 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.665 1.945 -8.774 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.623 1.156 -8.887 1.00 0.00 C ATOM 1230 NE2 HIS A 85 16.794 1.166 -9.496 1.00 0.00 N ATOM 0 H HIS A 85 18.019 4.496 -4.496 1.00 0.00 H new ATOM 0 HA HIS A 85 16.370 2.355 -4.967 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.782 4.184 -6.550 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.438 3.657 -6.779 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.698 2.146 -9.018 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.742 0.628 -9.221 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.016 0.675 -10.362 1.00 0.00 H new ATOM 1238 N GLN A 86 19.555 1.514 -5.234 1.00 0.00 N ATOM 1239 CA GLN A 86 20.467 0.376 -5.267 1.00 0.00 C ATOM 1240 C GLN A 86 20.247 -0.532 -4.062 1.00 0.00 C ATOM 1241 O GLN A 86 20.136 -1.751 -4.202 1.00 0.00 O ATOM 1242 CB GLN A 86 21.918 0.858 -5.300 1.00 0.00 C ATOM 1243 CG GLN A 86 22.935 -0.268 -5.217 1.00 0.00 C ATOM 1244 CD GLN A 86 23.105 -0.999 -6.534 1.00 0.00 C ATOM 1245 OE1 GLN A 86 23.886 -0.585 -7.391 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.372 -2.093 -6.703 1.00 0.00 N ATOM 0 H GLN A 86 20.016 2.423 -5.202 1.00 0.00 H new ATOM 0 HA GLN A 86 20.262 -0.196 -6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.085 1.420 -6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.082 1.547 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 86 23.897 0.139 -4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.624 -0.977 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.737 -2.400 -5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.444 -2.626 -7.570 1.00 0.00 H new ATOM 1255 N ASP A 87 20.186 0.068 -2.878 1.00 0.00 N ATOM 1256 CA ASP A 87 19.979 -0.687 -1.648 1.00 0.00 C ATOM 1257 C ASP A 87 18.785 -1.627 -1.781 1.00 0.00 C ATOM 1258 O ASP A 87 18.864 -2.801 -1.423 1.00 0.00 O ATOM 1259 CB ASP A 87 19.765 0.265 -0.470 1.00 0.00 C ATOM 1260 CG ASP A 87 21.071 0.730 0.143 1.00 0.00 C ATOM 1261 OD1 ASP A 87 22.083 0.014 -0.004 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.081 1.810 0.770 1.00 0.00 O ATOM 0 H ASP A 87 20.277 1.075 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 87 20.871 -1.286 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.196 1.132 -0.806 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.166 -0.234 0.292 1.00 0.00 H new ATOM 1267 N ALA A 88 17.679 -1.101 -2.298 1.00 0.00 N ATOM 1268 CA ALA A 88 16.469 -1.893 -2.480 1.00 0.00 C ATOM 1269 C ALA A 88 16.700 -3.029 -3.470 1.00 0.00 C ATOM 1270 O ALA A 88 16.422 -4.191 -3.173 1.00 0.00 O ATOM 1271 CB ALA A 88 15.324 -1.007 -2.947 1.00 0.00 C ATOM 0 H ALA A 88 17.596 -0.130 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 88 16.204 -2.333 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.427 -1.612 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.135 -0.234 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.589 -0.539 -3.895 1.00 0.00 H new ATOM 1277 N VAL A 89 17.210 -2.686 -4.649 1.00 0.00 N ATOM 1278 CA VAL A 89 17.479 -3.678 -5.683 1.00 0.00 C ATOM 1279 C VAL A 89 18.311 -4.832 -5.136 1.00 0.00 C ATOM 1280 O VAL A 89 18.031 -5.999 -5.412 1.00 0.00 O ATOM 1281 CB VAL A 89 18.215 -3.052 -6.883 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.546 -4.115 -7.920 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.382 -1.938 -7.497 1.00 0.00 C ATOM 0 H VAL A 89 17.445 -1.729 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 89 16.513 -4.057 -6.016 1.00 0.00 H new ATOM 0 HB VAL A 89 19.151 -2.621 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.066 -3.654 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.185 -4.875 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.625 -4.578 -8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 89 17.917 -1.507 -8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.429 -2.342 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.202 -1.165 -6.750 1.00 0.00 H new ATOM 1293 N ASP A 90 19.335 -4.498 -4.358 1.00 0.00 N ATOM 1294 CA ASP A 90 20.208 -5.507 -3.769 1.00 0.00 C ATOM 1295 C ASP A 90 19.410 -6.478 -2.903 1.00 0.00 C ATOM 1296 O ASP A 90 19.445 -7.690 -3.118 1.00 0.00 O ATOM 1297 CB ASP A 90 21.302 -4.840 -2.934 1.00 0.00 C ATOM 1298 CG ASP A 90 22.593 -5.635 -2.931 1.00 0.00 C ATOM 1299 OD1 ASP A 90 22.522 -6.881 -2.954 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.674 -5.011 -2.904 1.00 0.00 O ATOM 0 H ASP A 90 19.581 -3.537 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 90 20.672 -6.069 -4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.495 -3.841 -3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 90 20.950 -4.719 -1.909 1.00 0.00 H new ATOM 1305 N LEU A 91 18.694 -5.937 -1.924 1.00 0.00 N ATOM 1306 CA LEU A 91 17.888 -6.755 -1.024 1.00 0.00 C ATOM 1307 C LEU A 91 17.096 -7.801 -1.802 1.00 0.00 C ATOM 1308 O LEU A 91 17.022 -8.963 -1.402 1.00 0.00 O ATOM 1309 CB LEU A 91 16.934 -5.873 -0.217 1.00 0.00 C ATOM 1310 CG LEU A 91 16.067 -6.592 0.817 1.00 0.00 C ATOM 1311 CD1 LEU A 91 16.922 -7.112 1.962 1.00 0.00 C ATOM 1312 CD2 LEU A 91 14.980 -5.664 1.339 1.00 0.00 C ATOM 0 H LEU A 91 18.655 -4.936 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 91 18.562 -7.270 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.522 -5.112 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.277 -5.352 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 91 15.588 -7.443 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.288 -7.621 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 91 17.663 -7.811 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.429 -6.277 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.373 -6.192 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.439 -4.793 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.349 -5.341 0.511 1.00 0.00 H new ATOM 1324 N PHE A 92 16.506 -7.381 -2.916 1.00 0.00 N ATOM 1325 CA PHE A 92 15.720 -8.281 -3.752 1.00 0.00 C ATOM 1326 C PHE A 92 16.529 -9.519 -4.129 1.00 0.00 C ATOM 1327 O PHE A 92 16.034 -10.643 -4.057 1.00 0.00 O ATOM 1328 CB PHE A 92 15.251 -7.559 -5.016 1.00 0.00 C ATOM 1329 CG PHE A 92 14.087 -6.639 -4.784 1.00 0.00 C ATOM 1330 CD1 PHE A 92 13.914 -6.014 -3.560 1.00 0.00 C ATOM 1331 CD2 PHE A 92 13.166 -6.398 -5.791 1.00 0.00 C ATOM 1332 CE1 PHE A 92 12.845 -5.166 -3.343 1.00 0.00 C ATOM 1333 CE2 PHE A 92 12.095 -5.551 -5.581 1.00 0.00 C ATOM 1334 CZ PHE A 92 11.933 -4.935 -4.355 1.00 0.00 C ATOM 0 H PHE A 92 16.557 -6.422 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 92 14.848 -8.599 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.082 -6.985 -5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.974 -8.300 -5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.624 -6.192 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 92 13.287 -6.878 -6.751 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.722 -4.685 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.385 -5.371 -6.375 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.095 -4.274 -4.188 1.00 0.00 H new ATOM 1344 N ARG A 93 17.777 -9.302 -4.532 1.00 0.00 N ATOM 1345 CA ARG A 93 18.655 -10.398 -4.923 1.00 0.00 C ATOM 1346 C ARG A 93 18.943 -11.313 -3.737 1.00 0.00 C ATOM 1347 O ARG A 93 18.865 -12.536 -3.850 1.00 0.00 O ATOM 1348 CB ARG A 93 19.967 -9.851 -5.490 1.00 0.00 C ATOM 1349 CG ARG A 93 19.826 -9.248 -6.878 1.00 0.00 C ATOM 1350 CD ARG A 93 20.942 -8.258 -7.171 1.00 0.00 C ATOM 1351 NE ARG A 93 22.173 -8.927 -7.583 1.00 0.00 N ATOM 1352 CZ ARG A 93 23.183 -8.304 -8.180 1.00 0.00 C ATOM 1353 NH1 ARG A 93 23.109 -7.005 -8.434 1.00 0.00 N ATOM 1354 NH2 ARG A 93 24.271 -8.981 -8.525 1.00 0.00 N ATOM 0 H ARG A 93 18.202 -8.377 -4.596 1.00 0.00 H new ATOM 0 HA ARG A 93 18.149 -10.979 -5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.358 -9.093 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.701 -10.656 -5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 93 19.838 -10.043 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 93 18.862 -8.746 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.622 -7.573 -7.956 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.136 -7.657 -6.283 1.00 0.00 H new ATOM 0 HE ARG A 93 22.262 -9.927 -7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 93 22.275 -6.481 -8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.886 -6.530 -8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 93 24.332 -9.981 -8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 93 25.046 -8.502 -8.983 1.00 0.00 H new ATOM 1368 N ASN A 94 19.277 -10.712 -2.599 1.00 0.00 N ATOM 1369 CA ASN A 94 19.579 -11.473 -1.392 1.00 0.00 C ATOM 1370 C ASN A 94 18.434 -12.420 -1.047 1.00 0.00 C ATOM 1371 O ASN A 94 18.658 -13.573 -0.681 1.00 0.00 O ATOM 1372 CB ASN A 94 19.843 -10.526 -0.220 1.00 0.00 C ATOM 1373 CG ASN A 94 20.064 -11.267 1.084 1.00 0.00 C ATOM 1374 OD1 ASN A 94 20.492 -12.422 1.090 1.00 0.00 O ATOM 1375 ND2 ASN A 94 19.771 -10.606 2.198 1.00 0.00 N ATOM 0 H ASN A 94 19.345 -9.700 -2.488 1.00 0.00 H new ATOM 0 HA ASN A 94 20.474 -12.066 -1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.718 -9.915 -0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.999 -9.845 -0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 94 19.898 -11.054 3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.419 -9.650 2.146 1.00 0.00 H new ATOM 1382 N ALA A 95 17.206 -11.924 -1.166 1.00 0.00 N ATOM 1383 CA ALA A 95 16.026 -12.727 -0.869 1.00 0.00 C ATOM 1384 C ALA A 95 16.234 -14.181 -1.277 1.00 0.00 C ATOM 1385 O ALA A 95 16.096 -15.091 -0.461 1.00 0.00 O ATOM 1386 CB ALA A 95 14.805 -12.149 -1.570 1.00 0.00 C ATOM 0 H ALA A 95 17.003 -10.970 -1.466 1.00 0.00 H new ATOM 0 HA ALA A 95 15.860 -12.700 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.931 -12.758 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.637 -11.129 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.971 -12.146 -2.647 1.00 0.00 H new ATOM 1392 N GLY A 96 16.567 -14.393 -2.547 1.00 0.00 N ATOM 1393 CA GLY A 96 16.787 -15.739 -3.042 1.00 0.00 C ATOM 1394 C GLY A 96 15.599 -16.275 -3.814 1.00 0.00 C ATOM 1395 O GLY A 96 14.774 -15.507 -4.311 1.00 0.00 O ATOM 0 H GLY A 96 16.688 -13.656 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.667 -15.747 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.999 -16.401 -2.203 1.00 0.00 H new ATOM 1399 N TYR A 97 15.510 -17.597 -3.918 1.00 0.00 N ATOM 1400 CA TYR A 97 14.415 -18.235 -4.640 1.00 0.00 C ATOM 1401 C TYR A 97 13.070 -17.653 -4.215 1.00 0.00 C ATOM 1402 O TYR A 97 12.424 -16.933 -4.976 1.00 0.00 O ATOM 1403 CB TYR A 97 14.429 -19.745 -4.399 1.00 0.00 C ATOM 1404 CG TYR A 97 13.545 -20.519 -5.351 1.00 0.00 C ATOM 1405 CD1 TYR A 97 13.838 -20.580 -6.707 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.416 -21.187 -4.894 1.00 0.00 C ATOM 1407 CE1 TYR A 97 13.033 -21.284 -7.581 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.606 -21.896 -5.760 1.00 0.00 C ATOM 1409 CZ TYR A 97 11.919 -21.941 -7.102 1.00 0.00 C ATOM 1410 OH TYR A 97 11.113 -22.645 -7.969 1.00 0.00 O ATOM 0 H TYR A 97 16.183 -18.247 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 97 14.554 -18.042 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.452 -20.109 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.109 -19.944 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.711 -20.068 -7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.167 -21.151 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.274 -21.320 -8.633 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.733 -22.412 -5.388 1.00 0.00 H new ATOM 0 HH TYR A 97 10.372 -23.050 -7.471 1.00 0.00 H new ATOM 1420 N ALA A 98 12.655 -17.971 -2.993 1.00 0.00 N ATOM 1421 CA ALA A 98 11.389 -17.479 -2.464 1.00 0.00 C ATOM 1422 C ALA A 98 11.498 -16.014 -2.052 1.00 0.00 C ATOM 1423 O ALA A 98 12.177 -15.681 -1.080 1.00 0.00 O ATOM 1424 CB ALA A 98 10.944 -18.329 -1.283 1.00 0.00 C ATOM 0 H ALA A 98 13.177 -18.567 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 98 10.641 -17.553 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.997 -17.950 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.817 -19.362 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.699 -18.284 -0.498 1.00 0.00 H new ATOM 1430 N VAL A 99 10.827 -15.143 -2.798 1.00 0.00 N ATOM 1431 CA VAL A 99 10.848 -13.714 -2.511 1.00 0.00 C ATOM 1432 C VAL A 99 9.474 -13.221 -2.071 1.00 0.00 C ATOM 1433 O VAL A 99 8.521 -13.232 -2.850 1.00 0.00 O ATOM 1434 CB VAL A 99 11.305 -12.901 -3.737 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.674 -11.483 -3.330 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.474 -13.588 -4.425 1.00 0.00 C ATOM 0 H VAL A 99 10.262 -15.402 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 99 11.561 -13.565 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 99 10.478 -12.846 -4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.994 -10.924 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.807 -10.995 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.486 -11.513 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.784 -13.000 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.307 -13.675 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.170 -14.582 -4.753 1.00 0.00 H new ATOM 1446 N SER A 100 9.379 -12.790 -0.818 1.00 0.00 N ATOM 1447 CA SER A 100 8.120 -12.296 -0.272 1.00 0.00 C ATOM 1448 C SER A 100 8.104 -10.770 -0.239 1.00 0.00 C ATOM 1449 O SER A 100 8.838 -10.147 0.530 1.00 0.00 O ATOM 1450 CB SER A 100 7.897 -12.851 1.136 1.00 0.00 C ATOM 1451 OG SER A 100 7.925 -14.267 1.136 1.00 0.00 O ATOM 0 H SER A 100 10.159 -12.773 -0.161 1.00 0.00 H new ATOM 0 HA SER A 100 7.313 -12.637 -0.920 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.666 -12.469 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.938 -12.503 1.520 1.00 0.00 H new ATOM 0 HG SER A 100 7.782 -14.597 2.048 1.00 0.00 H new ATOM 1457 N LEU A 101 7.262 -10.175 -1.077 1.00 0.00 N ATOM 1458 CA LEU A 101 7.149 -8.723 -1.144 1.00 0.00 C ATOM 1459 C LEU A 101 5.821 -8.252 -0.560 1.00 0.00 C ATOM 1460 O LEU A 101 4.759 -8.487 -1.137 1.00 0.00 O ATOM 1461 CB LEU A 101 7.278 -8.248 -2.593 1.00 0.00 C ATOM 1462 CG LEU A 101 8.459 -8.815 -3.382 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.364 -8.415 -4.846 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.776 -8.345 -2.783 1.00 0.00 C ATOM 0 H LEU A 101 6.648 -10.676 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 101 7.958 -8.293 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.359 -8.502 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.355 -7.161 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 101 8.423 -9.903 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.213 -8.827 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.437 -8.802 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.374 -7.328 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.605 -8.758 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.821 -7.256 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.847 -8.683 -1.749 1.00 0.00 H new ATOM 1476 N ARG A 102 5.889 -7.585 0.588 1.00 0.00 N ATOM 1477 CA ARG A 102 4.692 -7.081 1.250 1.00 0.00 C ATOM 1478 C ARG A 102 4.295 -5.718 0.691 1.00 0.00 C ATOM 1479 O ARG A 102 4.874 -4.694 1.052 1.00 0.00 O ATOM 1480 CB ARG A 102 4.923 -6.977 2.759 1.00 0.00 C ATOM 1481 CG ARG A 102 3.639 -6.917 3.569 1.00 0.00 C ATOM 1482 CD ARG A 102 3.886 -6.368 4.966 1.00 0.00 C ATOM 1483 NE ARG A 102 4.401 -7.390 5.873 1.00 0.00 N ATOM 1484 CZ ARG A 102 3.626 -8.237 6.541 1.00 0.00 C ATOM 1485 NH1 ARG A 102 2.308 -8.184 6.405 1.00 0.00 N ATOM 1486 NH2 ARG A 102 4.169 -9.139 7.349 1.00 0.00 N ATOM 0 H ARG A 102 6.760 -7.381 1.078 1.00 0.00 H new ATOM 0 HA ARG A 102 3.880 -7.783 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.510 -7.834 3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.516 -6.086 2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.912 -6.290 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.206 -7.915 3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.595 -5.542 4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.956 -5.964 5.366 1.00 0.00 H new ATOM 0 HE ARG A 102 5.411 -7.457 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.887 -7.491 5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.716 -8.836 6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.182 -9.182 7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.573 -9.789 7.862 1.00 0.00 H new ATOM 1500 N VAL A 103 3.303 -5.713 -0.194 1.00 0.00 N ATOM 1501 CA VAL A 103 2.827 -4.477 -0.803 1.00 0.00 C ATOM 1502 C VAL A 103 1.517 -4.021 -0.172 1.00 0.00 C ATOM 1503 O VAL A 103 0.872 -4.777 0.555 1.00 0.00 O ATOM 1504 CB VAL A 103 2.623 -4.641 -2.321 1.00 0.00 C ATOM 1505 CG1 VAL A 103 3.937 -4.992 -3.002 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.567 -5.699 -2.605 1.00 0.00 C ATOM 0 H VAL A 103 2.813 -6.552 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 103 3.594 -3.723 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 103 2.273 -3.692 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.773 -5.104 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.661 -4.197 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.320 -5.928 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.436 -5.802 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.886 -6.653 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.622 -5.401 -2.151 1.00 0.00 H new ATOM 1516 N GLN A 104 1.129 -2.782 -0.454 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.105 -2.226 0.087 1.00 0.00 C ATOM 1518 C GLN A 104 -1.044 -1.792 -1.034 1.00 0.00 C ATOM 1519 O GLN A 104 -0.741 -0.867 -1.788 1.00 0.00 O ATOM 1520 CB GLN A 104 0.203 -1.038 0.999 1.00 0.00 C ATOM 1521 CG GLN A 104 -0.977 -0.607 1.856 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.574 0.337 2.972 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -0.155 1.468 2.723 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.699 -0.123 4.211 1.00 0.00 N ATOM 0 H GLN A 104 1.652 -2.144 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.599 -3.003 0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.038 -1.297 1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.524 -0.195 0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.721 -0.121 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.451 -1.490 2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.051 -1.067 4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.443 0.468 5.002 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.185 -2.465 -1.138 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.169 -2.149 -2.168 1.00 0.00 C ATOM 1535 C HIS A 105 -4.032 -0.963 -1.748 1.00 0.00 C ATOM 1536 O HIS A 105 -4.975 -1.113 -0.971 1.00 0.00 O ATOM 1537 CB HIS A 105 -4.053 -3.364 -2.449 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.281 -4.625 -2.686 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.482 -4.821 -3.792 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.187 -5.757 -1.950 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -1.931 -6.020 -3.728 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.343 -6.609 -2.619 1.00 0.00 N ATOM 0 H HIS A 105 -2.452 -3.233 -0.522 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.633 -1.882 -3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.728 -3.514 -1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.673 -3.158 -3.322 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.683 -5.954 -1.011 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.258 -6.446 -4.458 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -2.077 -7.544 -2.310 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.702 0.216 -2.266 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.446 1.428 -1.943 1.00 0.00 C ATOM 1552 C ARG A 106 -5.630 1.607 -2.889 1.00 0.00 C ATOM 1553 O ARG A 106 -5.454 1.761 -4.098 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.529 2.650 -2.019 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.427 2.651 -0.971 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.170 3.333 -1.486 1.00 0.00 C ATOM 1557 NE ARG A 106 -0.633 2.669 -2.671 1.00 0.00 N ATOM 1558 CZ ARG A 106 0.646 2.719 -3.026 1.00 0.00 C ATOM 1559 NH1 ARG A 106 1.515 3.398 -2.291 1.00 0.00 N ATOM 1560 NH2 ARG A 106 1.058 2.089 -4.119 1.00 0.00 N ATOM 0 H ARG A 106 -2.925 0.358 -2.911 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.827 1.331 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.077 2.693 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.130 3.552 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.777 3.161 -0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.195 1.625 -0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.393 4.373 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.414 3.340 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.276 2.138 -3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.202 3.884 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.497 3.435 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.392 1.566 -4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.040 2.128 -4.391 1.00 0.00 H new