USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 635 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 417 HIS : no HD1:sc= -0.0588 X(o=-2.5,f=-2.5) USER MOD Set 1.2: A 421 CYS SG : rot -120:sc= 0.637 USER MOD Set 1.3: A 426 CYS SG : rot 155:sc= -1.76! USER MOD Set 1.4: A 429 CYS SG : rot -4:sc= -1.3 USER MOD Set 2.1: A 416 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 420 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Set 3.1: A 394 MET CE :methyl -174:sc= -0.0582 (180deg=-0.152) USER MOD Set 3.2: A 411 SER OG : rot -49:sc= 1.1 USER MOD Set 4.1: A 393 HIS :FLIP no HE2:sc= -3.83! C(o=-4.4!,f=-2.6!) USER MOD Set 4.2: A 397 CYS SG : rot 99:sc= 0.31 USER MOD Set 4.3: A 403 CYS SG : rot -50:sc= 0.107 USER MOD Set 4.4: A 408 CYS SG : rot 109:sc= 0.784 USER MOD Set 5.1: A 392 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 396 HIS : no HE2:sc= 0 X(o=0,f=0) USER MOD Set 6.1: A 362 HIS :FLIP no HD1:sc= 0.237 F(o=-0.7,f=1.9) USER MOD Set 6.2: A 366 CYS SG : rot -151:sc= -0.793 USER MOD Set 6.3: A 367 GLN : amide:sc= 0.525 K(o=1.9,f=-8.3) USER MOD Set 6.4: A 384 CYS SG : rot 93:sc= 0.444 USER MOD Set 6.5: A 388 LYS NZ :NH3+ 165:sc= 1.44 (180deg=0.00805) USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 LYS NZ :NH3+ 165:sc= 1.27 (180deg=0.937) USER MOD Single : A 354 GLN : amide:sc= 0.587 K(o=0.59,f=0) USER MOD Single : A 355 GLN : amide:sc= 0.418 X(o=0.42,f=-0.026) USER MOD Single : A 356 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 364 HIS : no HE2:sc= 0.356 K(o=0.36,f=-3!) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 GLN : amide:sc= 0.236 X(o=0.24,f=-0.037) USER MOD Single : A 383 HIS : no HD1:sc=-0.00575 X(o=-0.0057,f=-0.0057) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 THR OG1 : rot 180:sc= 0 USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 GLN : amide:sc= 0.635 K(o=0.63,f=0) USER MOD Single : A 407 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.065) USER MOD Single : A 410 SER OG : rot 90:sc= 0.0177 USER MOD Single : A 413 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 419 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0105) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 3.548 -15.269 15.918 1.00 0.00 N ATOM 85 CA PRO A 347 2.743 -14.043 15.885 1.00 0.00 C ATOM 86 C PRO A 347 3.455 -12.823 15.298 1.00 0.00 C ATOM 87 O PRO A 347 2.820 -12.031 14.611 1.00 0.00 O ATOM 88 CB PRO A 347 2.300 -13.792 17.333 1.00 0.00 C ATOM 89 CG PRO A 347 2.389 -15.175 17.978 1.00 0.00 C ATOM 90 CD PRO A 347 3.601 -15.780 17.276 1.00 0.00 C ATOM 0 HA PRO A 347 1.900 -14.189 15.209 1.00 0.00 H new ATOM 0 HB2 PRO A 347 2.950 -13.073 17.833 1.00 0.00 H new ATOM 0 HB3 PRO A 347 1.287 -13.392 17.379 1.00 0.00 H new ATOM 0 HG2 PRO A 347 2.532 -15.113 19.057 1.00 0.00 H new ATOM 0 HG3 PRO A 347 1.486 -15.762 17.810 1.00 0.00 H new ATOM 0 HD2 PRO A 347 4.528 -15.490 17.770 1.00 0.00 H new ATOM 0 HD3 PRO A 347 3.561 -16.869 17.289 1.00 0.00 H new ATOM 98 N GLU A 348 4.770 -12.684 15.501 1.00 0.00 N ATOM 99 CA GLU A 348 5.573 -11.589 14.930 1.00 0.00 C ATOM 100 C GLU A 348 5.499 -11.612 13.400 1.00 0.00 C ATOM 101 O GLU A 348 5.335 -10.573 12.769 1.00 0.00 O ATOM 102 CB GLU A 348 7.047 -11.722 15.342 1.00 0.00 C ATOM 103 CG GLU A 348 7.327 -11.556 16.843 1.00 0.00 C ATOM 104 CD GLU A 348 7.381 -10.072 17.255 1.00 0.00 C ATOM 105 OE1 GLU A 348 6.308 -9.465 17.487 1.00 0.00 O ATOM 106 OE2 GLU A 348 8.496 -9.503 17.353 1.00 0.00 O ATOM 0 H GLU A 348 5.314 -13.332 16.070 1.00 0.00 H new ATOM 0 HA GLU A 348 5.167 -10.652 15.310 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.408 -12.701 15.028 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.628 -10.978 14.796 1.00 0.00 H new ATOM 0 HG2 GLU A 348 6.551 -12.064 17.416 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.273 -12.037 17.092 1.00 0.00 H new ATOM 113 N LYS A 349 5.547 -12.812 12.812 1.00 0.00 N ATOM 114 CA LYS A 349 5.434 -13.085 11.383 1.00 0.00 C ATOM 115 C LYS A 349 4.065 -12.653 10.887 1.00 0.00 C ATOM 116 O LYS A 349 4.002 -11.958 9.890 1.00 0.00 O ATOM 117 CB LYS A 349 5.649 -14.583 11.126 1.00 0.00 C ATOM 118 CG LYS A 349 6.136 -14.880 9.697 1.00 0.00 C ATOM 119 CD LYS A 349 7.661 -14.790 9.520 1.00 0.00 C ATOM 120 CE LYS A 349 8.469 -15.755 10.406 1.00 0.00 C ATOM 121 NZ LYS A 349 8.051 -17.176 10.252 1.00 0.00 N ATOM 0 H LYS A 349 5.673 -13.666 13.356 1.00 0.00 H new ATOM 0 HA LYS A 349 6.196 -12.523 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 349 6.377 -14.969 11.840 1.00 0.00 H new ATOM 0 HB3 LYS A 349 4.715 -15.115 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 349 5.807 -15.880 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 349 5.660 -14.181 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 349 7.904 -14.987 8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 349 7.978 -13.769 9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 349 9.527 -15.665 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 349 8.358 -15.461 11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 8.630 -17.777 10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 7.049 -17.273 10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 8.182 -17.471 9.263 1.00 0.00 H new ATOM 135 N ARG A 350 2.982 -13.012 11.586 1.00 0.00 N ATOM 136 CA ARG A 350 1.596 -12.619 11.252 1.00 0.00 C ATOM 137 C ARG A 350 1.480 -11.106 11.041 1.00 0.00 C ATOM 138 O ARG A 350 1.197 -10.662 9.924 1.00 0.00 O ATOM 139 CB ARG A 350 0.606 -13.145 12.317 1.00 0.00 C ATOM 140 CG ARG A 350 0.678 -14.646 12.652 1.00 0.00 C ATOM 141 CD ARG A 350 0.509 -15.610 11.472 1.00 0.00 C ATOM 142 NE ARG A 350 1.794 -16.209 11.045 1.00 0.00 N ATOM 143 CZ ARG A 350 2.198 -16.468 9.817 1.00 0.00 C ATOM 144 NH1 ARG A 350 1.518 -16.118 8.762 1.00 0.00 N ATOM 145 NH2 ARG A 350 3.313 -17.106 9.630 1.00 0.00 N ATOM 0 H ARG A 350 3.039 -13.597 12.420 1.00 0.00 H new ATOM 0 HA ARG A 350 1.326 -13.085 10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 350 0.767 -12.584 13.237 1.00 0.00 H new ATOM 0 HB3 ARG A 350 -0.406 -12.920 11.980 1.00 0.00 H new ATOM 0 HG2 ARG A 350 1.640 -14.846 13.123 1.00 0.00 H new ATOM 0 HG3 ARG A 350 -0.092 -14.870 13.391 1.00 0.00 H new ATOM 0 HD2 ARG A 350 -0.184 -16.404 11.751 1.00 0.00 H new ATOM 0 HD3 ARG A 350 0.062 -15.078 10.632 1.00 0.00 H new ATOM 0 HE ARG A 350 2.446 -16.451 11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 350 0.633 -15.622 8.867 1.00 0.00 H new ATOM 0 HH12 ARG A 350 1.871 -16.340 7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 350 3.871 -17.404 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 350 3.631 -17.310 8.683 1.00 0.00 H new ATOM 159 N LYS A 351 1.775 -10.319 12.081 1.00 0.00 N ATOM 160 CA LYS A 351 1.774 -8.840 12.020 1.00 0.00 C ATOM 161 C LYS A 351 2.759 -8.306 10.979 1.00 0.00 C ATOM 162 O LYS A 351 2.400 -7.400 10.227 1.00 0.00 O ATOM 163 CB LYS A 351 2.003 -8.151 13.385 1.00 0.00 C ATOM 164 CG LYS A 351 2.602 -9.049 14.466 1.00 0.00 C ATOM 165 CD LYS A 351 3.117 -8.274 15.680 1.00 0.00 C ATOM 166 CE LYS A 351 3.039 -9.171 16.921 1.00 0.00 C ATOM 167 NZ LYS A 351 3.770 -8.583 18.069 1.00 0.00 N ATOM 0 H LYS A 351 2.024 -10.686 12.999 1.00 0.00 H new ATOM 0 HA LYS A 351 0.762 -8.579 11.709 1.00 0.00 H new ATOM 0 HB2 LYS A 351 2.662 -7.295 13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 351 1.050 -7.762 13.743 1.00 0.00 H new ATOM 0 HG2 LYS A 351 1.847 -9.764 14.794 1.00 0.00 H new ATOM 0 HG3 LYS A 351 3.422 -9.625 14.037 1.00 0.00 H new ATOM 0 HD2 LYS A 351 4.145 -7.953 15.512 1.00 0.00 H new ATOM 0 HD3 LYS A 351 2.523 -7.373 15.830 1.00 0.00 H new ATOM 0 HE2 LYS A 351 1.995 -9.324 17.194 1.00 0.00 H new ATOM 0 HE3 LYS A 351 3.455 -10.151 16.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 3.492 -9.071 18.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 4.794 -8.692 17.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 3.538 -7.572 18.148 1.00 0.00 H new ATOM 181 N LEU A 352 3.976 -8.853 10.913 1.00 0.00 N ATOM 182 CA LEU A 352 4.992 -8.378 9.971 1.00 0.00 C ATOM 183 C LEU A 352 4.519 -8.596 8.521 1.00 0.00 C ATOM 184 O LEU A 352 4.564 -7.659 7.728 1.00 0.00 O ATOM 185 CB LEU A 352 6.314 -9.145 10.209 1.00 0.00 C ATOM 186 CG LEU A 352 7.327 -8.560 11.230 1.00 0.00 C ATOM 187 CD1 LEU A 352 8.742 -8.555 10.652 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.007 -7.176 11.804 1.00 0.00 C ATOM 0 H LEU A 352 4.282 -9.627 11.503 1.00 0.00 H new ATOM 0 HA LEU A 352 5.154 -7.312 10.131 1.00 0.00 H new ATOM 0 HB2 LEU A 352 6.060 -10.154 10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 352 6.823 -9.237 9.250 1.00 0.00 H new ATOM 0 HG LEU A 352 7.244 -9.240 12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.433 -8.141 11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.039 -9.575 10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 352 8.764 -7.946 9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 352 7.790 -6.882 12.503 1.00 0.00 H new ATOM 0 HD22 LEU A 352 6.953 -6.450 10.993 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.050 -7.210 12.325 1.00 0.00 H new ATOM 200 N ILE A 353 4.053 -9.801 8.169 1.00 0.00 N ATOM 201 CA ILE A 353 3.607 -10.174 6.811 1.00 0.00 C ATOM 202 C ILE A 353 2.425 -9.315 6.351 1.00 0.00 C ATOM 203 O ILE A 353 2.460 -8.744 5.245 1.00 0.00 O ATOM 204 CB ILE A 353 3.370 -11.708 6.716 1.00 0.00 C ATOM 205 CG1 ILE A 353 4.020 -12.304 5.453 1.00 0.00 C ATOM 206 CG2 ILE A 353 1.905 -12.172 6.835 1.00 0.00 C ATOM 207 CD1 ILE A 353 4.286 -13.811 5.597 1.00 0.00 C ATOM 0 H ILE A 353 3.972 -10.568 8.836 1.00 0.00 H new ATOM 0 HA ILE A 353 4.402 -9.953 6.098 1.00 0.00 H new ATOM 0 HB ILE A 353 3.862 -12.098 7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 353 3.370 -12.131 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 353 4.959 -11.788 5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 353 1.860 -13.258 6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 353 1.502 -11.862 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 353 1.315 -11.724 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 353 4.745 -14.188 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 353 4.958 -13.983 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 353 3.344 -14.332 5.772 1.00 0.00 H new ATOM 219 N GLN A 354 1.420 -9.154 7.232 1.00 0.00 N ATOM 220 CA GLN A 354 0.298 -8.267 6.901 1.00 0.00 C ATOM 221 C GLN A 354 0.801 -6.834 6.700 1.00 0.00 C ATOM 222 O GLN A 354 0.394 -6.186 5.740 1.00 0.00 O ATOM 223 CB GLN A 354 -0.902 -8.356 7.869 1.00 0.00 C ATOM 224 CG GLN A 354 -0.658 -7.903 9.309 1.00 0.00 C ATOM 225 CD GLN A 354 -1.937 -7.761 10.135 1.00 0.00 C ATOM 226 OE1 GLN A 354 -2.187 -6.740 10.762 1.00 0.00 O ATOM 227 NE2 GLN A 354 -2.804 -8.750 10.177 1.00 0.00 N ATOM 0 H GLN A 354 1.363 -9.608 8.143 1.00 0.00 H new ATOM 0 HA GLN A 354 -0.115 -8.625 5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.716 -7.759 7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -1.245 -9.390 7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.002 -8.619 9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -0.137 -6.946 9.296 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -2.620 -9.612 9.663 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -3.660 -8.655 10.723 1.00 0.00 H new ATOM 236 N GLN A 355 1.735 -6.355 7.533 1.00 0.00 N ATOM 237 CA GLN A 355 2.314 -5.026 7.366 1.00 0.00 C ATOM 238 C GLN A 355 3.057 -4.875 6.029 1.00 0.00 C ATOM 239 O GLN A 355 2.898 -3.823 5.414 1.00 0.00 O ATOM 240 CB GLN A 355 3.162 -4.631 8.574 1.00 0.00 C ATOM 241 CG GLN A 355 3.762 -3.214 8.509 1.00 0.00 C ATOM 242 CD GLN A 355 2.705 -2.109 8.491 1.00 0.00 C ATOM 243 OE1 GLN A 355 2.322 -1.557 9.514 1.00 0.00 O ATOM 244 NE2 GLN A 355 2.185 -1.747 7.336 1.00 0.00 N ATOM 0 H GLN A 355 2.103 -6.874 8.330 1.00 0.00 H new ATOM 0 HA GLN A 355 1.490 -4.314 7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 355 2.549 -4.709 9.472 1.00 0.00 H new ATOM 0 HB3 GLN A 355 3.975 -5.350 8.680 1.00 0.00 H new ATOM 0 HG2 GLN A 355 4.418 -3.065 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 355 4.381 -3.130 7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 355 2.493 -2.197 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 355 1.474 -1.016 7.303 1.00 0.00 H new ATOM 253 N GLN A 356 3.789 -5.883 5.519 1.00 0.00 N ATOM 254 CA GLN A 356 4.373 -5.787 4.177 1.00 0.00 C ATOM 255 C GLN A 356 3.334 -5.623 3.077 1.00 0.00 C ATOM 256 O GLN A 356 3.425 -4.672 2.306 1.00 0.00 O ATOM 257 CB GLN A 356 5.305 -6.943 3.797 1.00 0.00 C ATOM 258 CG GLN A 356 6.118 -7.671 4.868 1.00 0.00 C ATOM 259 CD GLN A 356 7.122 -6.743 5.553 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.118 -6.327 4.977 1.00 0.00 O ATOM 261 NE2 GLN A 356 6.904 -6.380 6.798 1.00 0.00 N ATOM 0 H GLN A 356 3.985 -6.756 6.009 1.00 0.00 H new ATOM 0 HA GLN A 356 4.975 -4.881 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 356 4.697 -7.693 3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 356 6.013 -6.557 3.063 1.00 0.00 H new ATOM 0 HG2 GLN A 356 5.443 -8.089 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 356 6.649 -8.508 4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 356 6.078 -6.719 7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 356 7.561 -5.759 7.271 1.00 0.00 H new ATOM 270 N LEU A 357 2.358 -6.532 3.001 1.00 0.00 N ATOM 271 CA LEU A 357 1.315 -6.463 1.959 1.00 0.00 C ATOM 272 C LEU A 357 0.556 -5.113 2.056 1.00 0.00 C ATOM 273 O LEU A 357 0.424 -4.386 1.074 1.00 0.00 O ATOM 274 CB LEU A 357 0.385 -7.685 2.109 1.00 0.00 C ATOM 275 CG LEU A 357 -0.247 -8.177 0.791 1.00 0.00 C ATOM 276 CD1 LEU A 357 -1.241 -9.305 1.059 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.941 -7.075 0.013 1.00 0.00 C ATOM 0 H LEU A 357 2.263 -7.321 3.641 1.00 0.00 H new ATOM 0 HA LEU A 357 1.758 -6.499 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 357 0.951 -8.504 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 357 -0.413 -7.434 2.808 1.00 0.00 H new ATOM 0 HG LEU A 357 0.579 -8.540 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.676 -9.638 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -0.725 -10.139 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -2.032 -8.944 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.364 -7.487 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.739 -6.647 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -0.220 -6.297 -0.238 1.00 0.00 H new ATOM 289 N VAL A 358 0.117 -4.718 3.253 1.00 0.00 N ATOM 290 CA VAL A 358 -0.575 -3.437 3.495 1.00 0.00 C ATOM 291 C VAL A 358 0.297 -2.221 3.120 1.00 0.00 C ATOM 292 O VAL A 358 -0.206 -1.253 2.547 1.00 0.00 O ATOM 293 CB VAL A 358 -1.047 -3.381 4.964 1.00 0.00 C ATOM 294 CG1 VAL A 358 -1.641 -2.025 5.366 1.00 0.00 C ATOM 295 CG2 VAL A 358 -2.124 -4.446 5.242 1.00 0.00 C ATOM 0 H VAL A 358 0.230 -5.281 4.096 1.00 0.00 H new ATOM 0 HA VAL A 358 -1.447 -3.385 2.843 1.00 0.00 H new ATOM 0 HB VAL A 358 -0.146 -3.561 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.951 -2.059 6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.890 -1.246 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -2.505 -1.806 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -2.437 -4.383 6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.983 -4.273 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.715 -5.437 5.045 1.00 0.00 H new ATOM 305 N LEU A 359 1.610 -2.273 3.375 1.00 0.00 N ATOM 306 CA LEU A 359 2.560 -1.202 3.035 1.00 0.00 C ATOM 307 C LEU A 359 2.856 -1.166 1.530 1.00 0.00 C ATOM 308 O LEU A 359 3.059 -0.095 0.973 1.00 0.00 O ATOM 309 CB LEU A 359 3.847 -1.362 3.865 1.00 0.00 C ATOM 310 CG LEU A 359 4.888 -0.246 3.676 1.00 0.00 C ATOM 311 CD1 LEU A 359 4.377 1.125 4.120 1.00 0.00 C ATOM 312 CD2 LEU A 359 6.129 -0.568 4.507 1.00 0.00 C ATOM 0 H LEU A 359 2.051 -3.072 3.830 1.00 0.00 H new ATOM 0 HA LEU A 359 2.106 -0.243 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 359 3.577 -1.411 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.309 -2.316 3.610 1.00 0.00 H new ATOM 0 HG LEU A 359 5.110 -0.202 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.155 1.872 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 359 3.495 1.391 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 359 4.115 1.091 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.870 0.221 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 359 5.854 -0.636 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.550 -1.519 4.179 1.00 0.00 H new ATOM 324 N LEU A 360 2.827 -2.315 0.856 1.00 0.00 N ATOM 325 CA LEU A 360 2.961 -2.461 -0.598 1.00 0.00 C ATOM 326 C LEU A 360 1.787 -1.779 -1.306 1.00 0.00 C ATOM 327 O LEU A 360 1.960 -1.027 -2.267 1.00 0.00 O ATOM 328 CB LEU A 360 2.955 -3.971 -0.912 1.00 0.00 C ATOM 329 CG LEU A 360 4.290 -4.614 -1.347 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.545 -4.023 -0.699 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.264 -6.104 -0.999 1.00 0.00 C ATOM 0 H LEU A 360 2.704 -3.211 1.327 1.00 0.00 H new ATOM 0 HA LEU A 360 3.884 -1.996 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.601 -4.497 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.224 -4.148 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 360 4.361 -4.417 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.427 -4.544 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.618 -2.964 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.485 -4.139 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.204 -6.565 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.132 -6.224 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.438 -6.585 -1.522 1.00 0.00 H new ATOM 343 N LEU A 361 0.581 -2.021 -0.798 1.00 0.00 N ATOM 344 CA LEU A 361 -0.633 -1.396 -1.308 1.00 0.00 C ATOM 345 C LEU A 361 -0.608 0.114 -1.027 1.00 0.00 C ATOM 346 O LEU A 361 -0.913 0.905 -1.924 1.00 0.00 O ATOM 347 CB LEU A 361 -1.837 -2.113 -0.696 1.00 0.00 C ATOM 348 CG LEU A 361 -1.909 -3.602 -1.104 1.00 0.00 C ATOM 349 CD1 LEU A 361 -3.071 -4.258 -0.362 1.00 0.00 C ATOM 350 CD2 LEU A 361 -2.141 -3.799 -2.602 1.00 0.00 C ATOM 0 H LEU A 361 0.420 -2.659 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.705 -1.495 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.786 -2.039 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.752 -1.610 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.949 -4.051 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -3.133 -5.310 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.909 -4.177 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -4.002 -3.757 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -2.182 -4.865 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -3.083 -3.331 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -1.324 -3.342 -3.160 1.00 0.00 H new ATOM 362 N HIS A 362 -0.153 0.521 0.169 1.00 0.00 N ATOM 363 CA HIS A 362 0.061 1.938 0.477 1.00 0.00 C ATOM 364 C HIS A 362 1.099 2.533 -0.486 1.00 0.00 C ATOM 365 O HIS A 362 0.901 3.636 -0.976 1.00 0.00 O ATOM 366 CB HIS A 362 0.478 2.155 1.942 1.00 0.00 C ATOM 367 CG HIS A 362 0.656 3.622 2.278 1.00 0.00 C ATOM 368 ND1 HIS A 362 1.699 4.425 1.894 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 -0.247 4.432 2.930 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 1.414 5.739 2.282 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 0.234 5.690 2.919 1.00 0.00 N flip ATOM 0 H HIS A 362 0.073 -0.113 0.936 1.00 0.00 H new ATOM 0 HA HIS A 362 -0.888 2.457 0.341 1.00 0.00 H new ATOM 0 HB2 HIS A 362 -0.276 1.723 2.600 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.411 1.625 2.134 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -1.179 4.114 3.373 1.00 0.00 H new ATOM 0 HE1 HIS A 362 2.021 6.615 2.105 1.00 0.00 H new ATOM 0 HE2 HIS A 362 -0.234 6.494 3.337 1.00 0.00 H new ATOM 379 N ALA A 363 2.183 1.820 -0.803 1.00 0.00 N ATOM 380 CA ALA A 363 3.207 2.271 -1.739 1.00 0.00 C ATOM 381 C ALA A 363 2.621 2.512 -3.140 1.00 0.00 C ATOM 382 O ALA A 363 2.896 3.560 -3.715 1.00 0.00 O ATOM 383 CB ALA A 363 4.379 1.284 -1.732 1.00 0.00 C ATOM 0 H ALA A 363 2.373 0.899 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 363 3.593 3.238 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.143 1.622 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.803 1.230 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 363 4.025 0.297 -2.030 1.00 0.00 H new ATOM 389 N HIS A 364 1.776 1.619 -3.677 1.00 0.00 N ATOM 390 CA HIS A 364 1.089 1.839 -4.958 1.00 0.00 C ATOM 391 C HIS A 364 0.259 3.134 -4.919 1.00 0.00 C ATOM 392 O HIS A 364 0.449 4.056 -5.723 1.00 0.00 O ATOM 393 CB HIS A 364 0.171 0.649 -5.278 1.00 0.00 C ATOM 394 CG HIS A 364 -0.598 0.840 -6.565 1.00 0.00 C ATOM 395 ND1 HIS A 364 -0.091 0.777 -7.843 1.00 0.00 N ATOM 396 CD2 HIS A 364 -1.914 1.205 -6.673 1.00 0.00 C ATOM 397 CE1 HIS A 364 -1.077 1.092 -8.703 1.00 0.00 C ATOM 398 NE2 HIS A 364 -2.211 1.368 -8.034 1.00 0.00 N ATOM 0 H HIS A 364 1.550 0.727 -3.237 1.00 0.00 H new ATOM 0 HA HIS A 364 1.846 1.932 -5.737 1.00 0.00 H new ATOM 0 HB2 HIS A 364 0.770 -0.259 -5.348 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.531 0.505 -4.457 1.00 0.00 H new ATOM 0 HD1 HIS A 364 0.867 0.534 -8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 364 -2.603 1.343 -5.853 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -0.973 1.119 -9.778 1.00 0.00 H new ATOM 406 N LYS A 365 -0.626 3.198 -3.916 1.00 0.00 N ATOM 407 CA LYS A 365 -1.502 4.335 -3.582 1.00 0.00 C ATOM 408 C LYS A 365 -0.754 5.661 -3.553 1.00 0.00 C ATOM 409 O LYS A 365 -1.099 6.606 -4.258 1.00 0.00 O ATOM 410 CB LYS A 365 -2.154 4.012 -2.219 1.00 0.00 C ATOM 411 CG LYS A 365 -2.513 5.207 -1.313 1.00 0.00 C ATOM 412 CD LYS A 365 -3.208 4.668 -0.050 1.00 0.00 C ATOM 413 CE LYS A 365 -4.008 5.781 0.637 1.00 0.00 C ATOM 414 NZ LYS A 365 -4.858 5.243 1.730 1.00 0.00 N ATOM 0 H LYS A 365 -0.760 2.414 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.261 4.461 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.065 3.443 -2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.478 3.359 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.614 5.762 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.169 5.899 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -3.872 3.845 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.464 4.268 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.323 6.527 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -4.635 6.287 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.386 6.021 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.527 4.549 1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -4.257 4.782 2.442 1.00 0.00 H new ATOM 428 N CYS A 366 0.263 5.719 -2.708 1.00 0.00 N ATOM 429 CA CYS A 366 1.061 6.887 -2.433 1.00 0.00 C ATOM 430 C CYS A 366 2.002 7.216 -3.604 1.00 0.00 C ATOM 431 O CYS A 366 2.346 8.379 -3.789 1.00 0.00 O ATOM 432 CB CYS A 366 1.680 6.631 -1.060 1.00 0.00 C ATOM 433 SG CYS A 366 2.582 8.033 -0.350 1.00 0.00 S ATOM 0 H CYS A 366 0.564 4.906 -2.171 1.00 0.00 H new ATOM 0 HA CYS A 366 0.497 7.817 -2.368 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.888 6.342 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.360 5.783 -1.138 1.00 0.00 H new ATOM 0 HG CYS A 366 3.523 7.593 0.431 1.00 0.00 H new ATOM 438 N GLN A 367 2.400 6.255 -4.448 1.00 0.00 N ATOM 439 CA GLN A 367 3.196 6.545 -5.649 1.00 0.00 C ATOM 440 C GLN A 367 2.337 7.243 -6.707 1.00 0.00 C ATOM 441 O GLN A 367 2.735 8.306 -7.187 1.00 0.00 O ATOM 442 CB GLN A 367 3.891 5.283 -6.195 1.00 0.00 C ATOM 443 CG GLN A 367 5.004 5.611 -7.209 1.00 0.00 C ATOM 444 CD GLN A 367 6.175 6.400 -6.611 1.00 0.00 C ATOM 445 OE1 GLN A 367 6.300 6.591 -5.407 1.00 0.00 O ATOM 446 NE2 GLN A 367 7.071 6.912 -7.425 1.00 0.00 N ATOM 0 H GLN A 367 2.183 5.266 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 367 3.995 7.232 -5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 367 4.316 4.719 -5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 367 3.149 4.641 -6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 367 5.383 4.680 -7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 367 4.576 6.183 -8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 367 6.988 6.767 -8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 367 7.849 7.455 -7.051 1.00 0.00 H new ATOM 455 N ARG A 368 1.141 6.719 -7.028 1.00 0.00 N ATOM 456 CA ARG A 368 0.226 7.407 -7.964 1.00 0.00 C ATOM 457 C ARG A 368 -0.238 8.755 -7.417 1.00 0.00 C ATOM 458 O ARG A 368 -0.304 9.731 -8.163 1.00 0.00 O ATOM 459 CB ARG A 368 -0.910 6.482 -8.444 1.00 0.00 C ATOM 460 CG ARG A 368 -1.984 6.163 -7.395 1.00 0.00 C ATOM 461 CD ARG A 368 -3.014 5.159 -7.922 1.00 0.00 C ATOM 462 NE ARG A 368 -4.156 5.035 -6.993 1.00 0.00 N ATOM 463 CZ ARG A 368 -4.944 3.988 -6.820 1.00 0.00 C ATOM 464 NH1 ARG A 368 -4.740 2.844 -7.406 1.00 0.00 N ATOM 465 NH2 ARG A 368 -5.976 4.070 -6.030 1.00 0.00 N ATOM 0 H ARG A 368 0.787 5.836 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 368 0.786 7.649 -8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -1.393 6.944 -9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -0.472 5.545 -8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -1.510 5.761 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -2.490 7.083 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -3.370 5.478 -8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -2.542 4.185 -8.056 1.00 0.00 H new ATOM 0 HE ARG A 368 -4.360 5.853 -6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -3.943 2.726 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -5.377 2.065 -7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -6.178 4.943 -5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -6.583 3.261 -5.898 1.00 0.00 H new ATOM 479 N ARG A 369 -0.479 8.837 -6.106 1.00 0.00 N ATOM 480 CA ARG A 369 -0.860 10.071 -5.412 1.00 0.00 C ATOM 481 C ARG A 369 0.242 11.126 -5.466 1.00 0.00 C ATOM 482 O ARG A 369 -0.037 12.280 -5.768 1.00 0.00 O ATOM 483 CB ARG A 369 -1.227 9.684 -3.972 1.00 0.00 C ATOM 484 CG ARG A 369 -1.328 10.804 -2.926 1.00 0.00 C ATOM 485 CD ARG A 369 -1.563 10.187 -1.538 1.00 0.00 C ATOM 486 NE ARG A 369 -2.976 9.799 -1.343 1.00 0.00 N ATOM 487 CZ ARG A 369 -3.593 9.627 -0.187 1.00 0.00 C ATOM 488 NH1 ARG A 369 -2.957 9.658 0.951 1.00 0.00 N ATOM 489 NH2 ARG A 369 -4.878 9.417 -0.151 1.00 0.00 N ATOM 0 H ARG A 369 -0.414 8.031 -5.484 1.00 0.00 H new ATOM 0 HA ARG A 369 -1.714 10.534 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.186 9.166 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -0.487 8.965 -3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -0.413 11.397 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -2.145 11.480 -3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -0.925 9.311 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 369 -1.273 10.902 -0.768 1.00 0.00 H new ATOM 0 HE ARG A 369 -3.531 9.649 -2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 369 -1.950 9.819 0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 369 -3.467 9.521 1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -5.414 9.385 -1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -5.348 9.285 0.744 1.00 0.00 H new ATOM 503 N GLU A 370 1.489 10.734 -5.209 1.00 0.00 N ATOM 504 CA GLU A 370 2.656 11.626 -5.264 1.00 0.00 C ATOM 505 C GLU A 370 2.856 12.169 -6.683 1.00 0.00 C ATOM 506 O GLU A 370 2.956 13.377 -6.899 1.00 0.00 O ATOM 507 CB GLU A 370 3.899 10.845 -4.822 1.00 0.00 C ATOM 508 CG GLU A 370 5.178 11.684 -4.743 1.00 0.00 C ATOM 509 CD GLU A 370 6.382 10.833 -4.297 1.00 0.00 C ATOM 510 OE1 GLU A 370 6.288 10.162 -3.237 1.00 0.00 O ATOM 511 OE2 GLU A 370 7.423 10.827 -4.995 1.00 0.00 O ATOM 0 H GLU A 370 1.725 9.775 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 370 2.492 12.473 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 370 3.707 10.404 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 370 4.062 10.021 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 370 5.385 12.127 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 370 5.033 12.507 -4.043 1.00 0.00 H new ATOM 518 N GLN A 371 2.875 11.248 -7.649 1.00 0.00 N ATOM 519 CA GLN A 371 3.000 11.542 -9.079 1.00 0.00 C ATOM 520 C GLN A 371 1.871 12.462 -9.583 1.00 0.00 C ATOM 521 O GLN A 371 2.111 13.292 -10.465 1.00 0.00 O ATOM 522 CB GLN A 371 3.056 10.215 -9.860 1.00 0.00 C ATOM 523 CG GLN A 371 3.281 10.372 -11.374 1.00 0.00 C ATOM 524 CD GLN A 371 4.606 11.059 -11.712 1.00 0.00 C ATOM 525 OE1 GLN A 371 5.647 10.431 -11.858 1.00 0.00 O ATOM 526 NE2 GLN A 371 4.624 12.370 -11.836 1.00 0.00 N ATOM 0 H GLN A 371 2.802 10.250 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 371 3.926 12.093 -9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 371 3.857 9.600 -9.449 1.00 0.00 H new ATOM 0 HB3 GLN A 371 2.124 9.674 -9.699 1.00 0.00 H new ATOM 0 HG2 GLN A 371 3.258 9.389 -11.843 1.00 0.00 H new ATOM 0 HG3 GLN A 371 2.460 10.948 -11.800 1.00 0.00 H new ATOM 0 HE21 GLN A 371 3.764 12.905 -11.717 1.00 0.00 H new ATOM 0 HE22 GLN A 371 5.498 12.850 -12.051 1.00 0.00 H new ATOM 535 N ALA A 372 0.661 12.339 -9.024 1.00 0.00 N ATOM 536 CA ALA A 372 -0.479 13.194 -9.366 1.00 0.00 C ATOM 537 C ALA A 372 -0.356 14.587 -8.707 1.00 0.00 C ATOM 538 O ALA A 372 -0.369 15.602 -9.408 1.00 0.00 O ATOM 539 CB ALA A 372 -1.776 12.478 -8.959 1.00 0.00 C ATOM 0 H ALA A 372 0.445 11.637 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 372 -0.494 13.367 -10.442 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -2.632 13.105 -9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -1.852 11.531 -9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -1.766 12.289 -7.886 1.00 0.00 H new ATOM 652 N LEU A 381 4.190 7.441 7.068 1.00 0.00 N ATOM 653 CA LEU A 381 4.941 6.194 7.285 1.00 0.00 C ATOM 654 C LEU A 381 6.377 6.305 6.723 1.00 0.00 C ATOM 655 O LEU A 381 6.537 6.307 5.502 1.00 0.00 O ATOM 656 CB LEU A 381 4.174 5.032 6.607 1.00 0.00 C ATOM 657 CG LEU A 381 3.147 4.341 7.523 1.00 0.00 C ATOM 658 CD1 LEU A 381 2.227 3.442 6.698 1.00 0.00 C ATOM 659 CD2 LEU A 381 3.828 3.475 8.587 1.00 0.00 C ATOM 0 HA LEU A 381 5.028 6.004 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 381 3.660 5.415 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 381 4.893 4.290 6.259 1.00 0.00 H new ATOM 0 HG LEU A 381 2.577 5.129 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 381 1.505 2.959 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 381 1.698 4.043 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 381 2.821 2.682 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 381 3.070 3.005 9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 381 4.426 2.704 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 381 4.473 4.099 9.205 1.00 0.00 H new ATOM 671 N PRO A 382 7.436 6.386 7.556 1.00 0.00 N ATOM 672 CA PRO A 382 8.828 6.467 7.086 1.00 0.00 C ATOM 673 C PRO A 382 9.240 5.357 6.098 1.00 0.00 C ATOM 674 O PRO A 382 9.993 5.605 5.154 1.00 0.00 O ATOM 675 CB PRO A 382 9.693 6.421 8.352 1.00 0.00 C ATOM 676 CG PRO A 382 8.764 6.939 9.448 1.00 0.00 C ATOM 677 CD PRO A 382 7.393 6.428 9.011 1.00 0.00 C ATOM 0 HA PRO A 382 8.959 7.384 6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.037 5.409 8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.581 7.045 8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 382 9.044 6.554 10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 382 8.786 8.027 9.514 1.00 0.00 H new ATOM 0 HD2 PRO A 382 7.192 5.440 9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 382 6.599 7.088 9.361 1.00 0.00 H new ATOM 685 N HIS A 383 8.737 4.133 6.299 1.00 0.00 N ATOM 686 CA HIS A 383 9.014 2.953 5.461 1.00 0.00 C ATOM 687 C HIS A 383 8.371 3.003 4.057 1.00 0.00 C ATOM 688 O HIS A 383 8.726 2.205 3.183 1.00 0.00 O ATOM 689 CB HIS A 383 8.538 1.697 6.210 1.00 0.00 C ATOM 690 CG HIS A 383 9.076 1.567 7.615 1.00 0.00 C ATOM 691 ND1 HIS A 383 10.401 1.528 7.987 1.00 0.00 N ATOM 692 CD2 HIS A 383 8.334 1.471 8.764 1.00 0.00 C ATOM 693 CE1 HIS A 383 10.460 1.416 9.325 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.221 1.378 9.846 1.00 0.00 N ATOM 0 H HIS A 383 8.106 3.927 7.073 1.00 0.00 H new ATOM 0 HA HIS A 383 10.090 2.934 5.288 1.00 0.00 H new ATOM 0 HB2 HIS A 383 7.449 1.704 6.250 1.00 0.00 H new ATOM 0 HB3 HIS A 383 8.830 0.816 5.639 1.00 0.00 H new ATOM 0 HD2 HIS A 383 7.256 1.468 8.825 1.00 0.00 H new ATOM 0 HE1 HIS A 383 11.373 1.364 9.900 1.00 0.00 H new ATOM 0 HE2 HIS A 383 8.975 1.297 10.833 1.00 0.00 H new ATOM 702 N CYS A 384 7.436 3.931 3.826 1.00 0.00 N ATOM 703 CA CYS A 384 6.716 4.104 2.569 1.00 0.00 C ATOM 704 C CYS A 384 7.648 4.232 1.352 1.00 0.00 C ATOM 705 O CYS A 384 7.489 3.497 0.378 1.00 0.00 O ATOM 706 CB CYS A 384 5.801 5.322 2.750 1.00 0.00 C ATOM 707 SG CYS A 384 4.809 5.618 1.273 1.00 0.00 S ATOM 0 H CYS A 384 7.153 4.604 4.538 1.00 0.00 H new ATOM 0 HA CYS A 384 6.126 3.214 2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 384 5.145 5.163 3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 384 6.404 6.203 2.969 1.00 0.00 H new ATOM 0 HG CYS A 384 3.666 5.009 1.388 1.00 0.00 H new ATOM 712 N ARG A 385 8.651 5.125 1.399 1.00 0.00 N ATOM 713 CA ARG A 385 9.591 5.338 0.273 1.00 0.00 C ATOM 714 C ARG A 385 10.477 4.120 -0.006 1.00 0.00 C ATOM 715 O ARG A 385 10.785 3.842 -1.166 1.00 0.00 O ATOM 716 CB ARG A 385 10.376 6.659 0.431 1.00 0.00 C ATOM 717 CG ARG A 385 9.628 7.853 -0.206 1.00 0.00 C ATOM 718 CD ARG A 385 8.284 8.143 0.475 1.00 0.00 C ATOM 719 NE ARG A 385 7.423 9.078 -0.275 1.00 0.00 N ATOM 720 CZ ARG A 385 6.185 9.376 0.075 1.00 0.00 C ATOM 721 NH1 ARG A 385 5.653 8.877 1.145 1.00 0.00 N ATOM 722 NH2 ARG A 385 5.443 10.147 -0.656 1.00 0.00 N ATOM 0 H ARG A 385 8.837 5.717 2.208 1.00 0.00 H new ATOM 0 HA ARG A 385 8.990 5.449 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 385 10.543 6.858 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 385 11.357 6.556 -0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 385 10.257 8.741 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 385 9.458 7.648 -1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 385 7.749 7.204 0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 385 8.472 8.554 1.467 1.00 0.00 H new ATOM 0 HE ARG A 385 7.806 9.519 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 385 6.192 8.242 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 385 4.695 9.119 1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 385 5.812 10.538 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 385 4.490 10.363 -0.365 1.00 0.00 H new ATOM 736 N THR A 386 10.798 3.335 1.020 1.00 0.00 N ATOM 737 CA THR A 386 11.523 2.064 0.881 1.00 0.00 C ATOM 738 C THR A 386 10.645 1.071 0.124 1.00 0.00 C ATOM 739 O THR A 386 11.082 0.501 -0.874 1.00 0.00 O ATOM 740 CB THR A 386 11.920 1.480 2.249 1.00 0.00 C ATOM 741 OG1 THR A 386 12.683 2.434 2.962 1.00 0.00 O ATOM 742 CG2 THR A 386 12.768 0.214 2.122 1.00 0.00 C ATOM 0 H THR A 386 10.561 3.562 1.986 1.00 0.00 H new ATOM 0 HA THR A 386 12.443 2.252 0.328 1.00 0.00 H new ATOM 0 HB THR A 386 10.994 1.230 2.767 1.00 0.00 H new ATOM 0 HG1 THR A 386 12.936 2.065 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 386 13.020 -0.156 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.205 -0.548 1.583 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.684 0.443 1.577 1.00 0.00 H new ATOM 750 N MET A 387 9.383 0.896 0.531 1.00 0.00 N ATOM 751 CA MET A 387 8.468 -0.005 -0.180 1.00 0.00 C ATOM 752 C MET A 387 8.094 0.506 -1.579 1.00 0.00 C ATOM 753 O MET A 387 7.983 -0.304 -2.493 1.00 0.00 O ATOM 754 CB MET A 387 7.241 -0.332 0.679 1.00 0.00 C ATOM 755 CG MET A 387 7.419 -1.725 1.301 1.00 0.00 C ATOM 756 SD MET A 387 8.864 -1.916 2.386 1.00 0.00 S ATOM 757 CE MET A 387 9.052 -3.719 2.324 1.00 0.00 C ATOM 0 H MET A 387 8.974 1.361 1.341 1.00 0.00 H new ATOM 0 HA MET A 387 9.004 -0.939 -0.350 1.00 0.00 H new ATOM 0 HB2 MET A 387 7.120 0.417 1.462 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.338 -0.305 0.070 1.00 0.00 H new ATOM 0 HG2 MET A 387 6.523 -1.966 1.872 1.00 0.00 H new ATOM 0 HG3 MET A 387 7.491 -2.457 0.496 1.00 0.00 H new ATOM 0 HE1 MET A 387 9.900 -4.018 2.940 1.00 0.00 H new ATOM 0 HE2 MET A 387 8.145 -4.193 2.701 1.00 0.00 H new ATOM 0 HE3 MET A 387 9.223 -4.032 1.294 1.00 0.00 H new ATOM 767 N LYS A 388 7.981 1.821 -1.802 1.00 0.00 N ATOM 768 CA LYS A 388 7.801 2.421 -3.141 1.00 0.00 C ATOM 769 C LYS A 388 8.989 2.049 -4.039 1.00 0.00 C ATOM 770 O LYS A 388 8.789 1.670 -5.196 1.00 0.00 O ATOM 771 CB LYS A 388 7.686 3.950 -3.008 1.00 0.00 C ATOM 772 CG LYS A 388 6.300 4.481 -2.594 1.00 0.00 C ATOM 773 CD LYS A 388 6.436 5.873 -1.953 1.00 0.00 C ATOM 774 CE LYS A 388 5.147 6.707 -1.922 1.00 0.00 C ATOM 775 NZ LYS A 388 5.100 7.654 -3.065 1.00 0.00 N ATOM 0 H LYS A 388 8.012 2.512 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 388 6.887 2.037 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.419 4.289 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.958 4.401 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.648 4.536 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.834 3.792 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.796 5.751 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.199 6.432 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.281 6.046 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.089 7.260 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 4.132 8.019 -3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.751 8.445 -2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 5.384 7.161 -3.936 1.00 0.00 H new ATOM 789 N ASN A 389 10.215 2.085 -3.496 1.00 0.00 N ATOM 790 CA ASN A 389 11.415 1.676 -4.235 1.00 0.00 C ATOM 791 C ASN A 389 11.359 0.177 -4.588 1.00 0.00 C ATOM 792 O ASN A 389 11.554 -0.174 -5.747 1.00 0.00 O ATOM 793 CB ASN A 389 12.677 2.047 -3.438 1.00 0.00 C ATOM 794 CG ASN A 389 13.943 1.650 -4.180 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.265 2.180 -5.233 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.695 0.700 -3.669 1.00 0.00 N ATOM 0 H ASN A 389 10.400 2.395 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 389 11.455 2.216 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.687 3.120 -3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.653 1.553 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.545 0.407 -4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 389 14.429 0.256 -2.790 1.00 0.00 H new ATOM 803 N VAL A 390 11.021 -0.688 -3.623 1.00 0.00 N ATOM 804 CA VAL A 390 10.823 -2.149 -3.786 1.00 0.00 C ATOM 805 C VAL A 390 9.709 -2.447 -4.803 1.00 0.00 C ATOM 806 O VAL A 390 9.795 -3.435 -5.527 1.00 0.00 O ATOM 807 CB VAL A 390 10.442 -2.751 -2.419 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.958 -4.207 -2.452 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.626 -2.706 -1.448 1.00 0.00 C ATOM 0 H VAL A 390 10.869 -0.383 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 390 11.748 -2.591 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 390 9.610 -2.126 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.716 -4.533 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 390 9.070 -4.281 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.744 -4.843 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.329 -3.137 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.457 -3.277 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.935 -1.671 -1.299 1.00 0.00 H new ATOM 819 N LEU A 391 8.671 -1.609 -4.892 1.00 0.00 N ATOM 820 CA LEU A 391 7.568 -1.769 -5.849 1.00 0.00 C ATOM 821 C LEU A 391 8.042 -1.443 -7.277 1.00 0.00 C ATOM 822 O LEU A 391 7.872 -2.261 -8.178 1.00 0.00 O ATOM 823 CB LEU A 391 6.356 -0.920 -5.412 1.00 0.00 C ATOM 824 CG LEU A 391 4.990 -1.488 -5.846 1.00 0.00 C ATOM 825 CD1 LEU A 391 3.881 -0.625 -5.252 1.00 0.00 C ATOM 826 CD2 LEU A 391 4.775 -1.536 -7.359 1.00 0.00 C ATOM 0 H LEU A 391 8.571 -0.789 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 391 7.242 -2.809 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.368 -0.824 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.465 0.084 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 391 4.969 -2.516 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.911 -1.020 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.954 -0.636 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.984 0.399 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 391 3.789 -1.949 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 391 4.843 -0.528 -7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.539 -2.165 -7.815 1.00 0.00 H new ATOM 838 N ASN A 392 8.726 -0.309 -7.489 1.00 0.00 N ATOM 839 CA ASN A 392 9.349 -0.008 -8.793 1.00 0.00 C ATOM 840 C ASN A 392 10.370 -1.113 -9.151 1.00 0.00 C ATOM 841 O ASN A 392 10.434 -1.593 -10.287 1.00 0.00 O ATOM 842 CB ASN A 392 9.999 1.383 -8.730 1.00 0.00 C ATOM 843 CG ASN A 392 10.573 1.776 -10.081 1.00 0.00 C ATOM 844 OD1 ASN A 392 9.850 2.006 -11.041 1.00 0.00 O ATOM 845 ND2 ASN A 392 11.876 1.871 -10.204 1.00 0.00 N ATOM 0 H ASN A 392 8.863 0.413 -6.781 1.00 0.00 H new ATOM 0 HA ASN A 392 8.597 0.007 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 392 9.260 2.120 -8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 392 10.790 1.385 -7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 392 12.286 2.136 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 392 12.479 1.679 -9.404 1.00 0.00 H new ATOM 852 N HIS A 393 11.093 -1.603 -8.142 1.00 0.00 N ATOM 853 CA HIS A 393 11.981 -2.749 -8.266 1.00 0.00 C ATOM 854 C HIS A 393 11.179 -3.954 -8.758 1.00 0.00 C ATOM 855 O HIS A 393 11.611 -4.586 -9.710 1.00 0.00 O ATOM 856 CB HIS A 393 12.712 -3.009 -6.931 1.00 0.00 C ATOM 857 CG HIS A 393 12.873 -4.466 -6.556 1.00 0.00 C ATOM 858 ND1 HIS A 393 13.978 -5.223 -6.794 1.00 0.00 N flip ATOM 859 CD2 HIS A 393 11.858 -5.336 -6.258 1.00 0.00 C flip ATOM 860 CE1 HIS A 393 13.595 -6.577 -6.844 1.00 0.00 C flip ATOM 861 NE2 HIS A 393 12.281 -6.575 -6.532 1.00 0.00 N flip ATOM 0 H HIS A 393 11.074 -1.205 -7.203 1.00 0.00 H new ATOM 0 HA HIS A 393 12.758 -2.550 -9.004 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.700 -2.552 -6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 393 12.168 -2.503 -6.133 1.00 0.00 H new ATOM 0 HD1 HIS A 393 14.927 -4.869 -6.916 1.00 0.00 H new ATOM 0 HD2 HIS A 393 10.886 -5.068 -5.870 1.00 0.00 H new ATOM 0 HE1 HIS A 393 14.215 -7.429 -7.080 1.00 0.00 H new ATOM 869 N MET A 394 10.009 -4.262 -8.171 1.00 0.00 N ATOM 870 CA MET A 394 9.204 -5.415 -8.592 1.00 0.00 C ATOM 871 C MET A 394 8.628 -5.215 -10.001 1.00 0.00 C ATOM 872 O MET A 394 8.369 -6.182 -10.715 1.00 0.00 O ATOM 873 CB MET A 394 8.167 -5.877 -7.545 1.00 0.00 C ATOM 874 CG MET A 394 6.764 -5.257 -7.592 1.00 0.00 C ATOM 875 SD MET A 394 5.449 -6.363 -6.991 1.00 0.00 S ATOM 876 CE MET A 394 5.963 -6.631 -5.270 1.00 0.00 C ATOM 0 H MET A 394 9.603 -3.727 -7.404 1.00 0.00 H new ATOM 0 HA MET A 394 9.888 -6.261 -8.657 1.00 0.00 H new ATOM 0 HB2 MET A 394 8.057 -6.957 -7.639 1.00 0.00 H new ATOM 0 HB3 MET A 394 8.583 -5.684 -6.556 1.00 0.00 H new ATOM 0 HG2 MET A 394 6.760 -4.345 -6.994 1.00 0.00 H new ATOM 0 HG3 MET A 394 6.540 -4.966 -8.618 1.00 0.00 H new ATOM 0 HE1 MET A 394 5.312 -7.373 -4.807 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.993 -6.988 -5.249 1.00 0.00 H new ATOM 0 HE3 MET A 394 5.893 -5.693 -4.719 1.00 0.00 H new ATOM 886 N THR A 395 8.492 -3.954 -10.424 1.00 0.00 N ATOM 887 CA THR A 395 8.071 -3.596 -11.786 1.00 0.00 C ATOM 888 C THR A 395 9.170 -4.004 -12.780 1.00 0.00 C ATOM 889 O THR A 395 8.872 -4.567 -13.836 1.00 0.00 O ATOM 890 CB THR A 395 7.646 -2.109 -11.856 1.00 0.00 C ATOM 891 OG1 THR A 395 6.301 -2.048 -12.287 1.00 0.00 O ATOM 892 CG2 THR A 395 8.436 -1.169 -12.769 1.00 0.00 C ATOM 0 H THR A 395 8.672 -3.146 -9.828 1.00 0.00 H new ATOM 0 HA THR A 395 7.178 -4.151 -12.074 1.00 0.00 H new ATOM 0 HB THR A 395 7.836 -1.751 -10.844 1.00 0.00 H new ATOM 0 HG1 THR A 395 6.015 -1.112 -12.335 1.00 0.00 H new ATOM 0 HG21 THR A 395 8.017 -0.165 -12.708 1.00 0.00 H new ATOM 0 HG22 THR A 395 9.479 -1.147 -12.453 1.00 0.00 H new ATOM 0 HG23 THR A 395 8.376 -1.525 -13.797 1.00 0.00 H new ATOM 900 N HIS A 396 10.445 -3.783 -12.427 1.00 0.00 N ATOM 901 CA HIS A 396 11.607 -4.230 -13.217 1.00 0.00 C ATOM 902 C HIS A 396 11.990 -5.726 -13.033 1.00 0.00 C ATOM 903 O HIS A 396 12.498 -6.353 -13.967 1.00 0.00 O ATOM 904 CB HIS A 396 12.804 -3.324 -12.891 1.00 0.00 C ATOM 905 CG HIS A 396 12.581 -1.866 -13.227 1.00 0.00 C ATOM 906 ND1 HIS A 396 12.158 -1.357 -14.436 1.00 0.00 N ATOM 907 CD2 HIS A 396 12.788 -0.798 -12.395 1.00 0.00 C ATOM 908 CE1 HIS A 396 12.108 -0.017 -14.335 1.00 0.00 C ATOM 909 NE2 HIS A 396 12.492 0.375 -13.107 1.00 0.00 N ATOM 0 H HIS A 396 10.703 -3.284 -11.576 1.00 0.00 H new ATOM 0 HA HIS A 396 11.320 -4.146 -14.265 1.00 0.00 H new ATOM 0 HB2 HIS A 396 13.034 -3.411 -11.829 1.00 0.00 H new ATOM 0 HB3 HIS A 396 13.677 -3.683 -13.436 1.00 0.00 H new ATOM 0 HD1 HIS A 396 11.923 -1.903 -15.265 1.00 0.00 H new ATOM 0 HD2 HIS A 396 13.121 -0.849 -11.369 1.00 0.00 H new ATOM 0 HE1 HIS A 396 11.803 0.650 -15.128 1.00 0.00 H new ATOM 917 N CYS A 397 11.788 -6.291 -11.835 1.00 0.00 N ATOM 918 CA CYS A 397 12.131 -7.654 -11.406 1.00 0.00 C ATOM 919 C CYS A 397 11.355 -8.743 -12.167 1.00 0.00 C ATOM 920 O CYS A 397 10.203 -8.551 -12.573 1.00 0.00 O ATOM 921 CB CYS A 397 11.859 -7.725 -9.891 1.00 0.00 C ATOM 922 SG CYS A 397 12.433 -9.230 -9.047 1.00 0.00 S ATOM 0 H CYS A 397 11.346 -5.765 -11.081 1.00 0.00 H new ATOM 0 HA CYS A 397 13.179 -7.853 -11.631 1.00 0.00 H new ATOM 0 HB2 CYS A 397 12.330 -6.864 -9.417 1.00 0.00 H new ATOM 0 HB3 CYS A 397 10.785 -7.629 -9.730 1.00 0.00 H new ATOM 0 HG CYS A 397 13.566 -8.991 -8.457 1.00 0.00 H new ATOM 927 N GLN A 398 11.987 -9.912 -12.313 1.00 0.00 N ATOM 928 CA GLN A 398 11.421 -11.090 -12.987 1.00 0.00 C ATOM 929 C GLN A 398 11.656 -12.416 -12.239 1.00 0.00 C ATOM 930 O GLN A 398 11.015 -13.418 -12.563 1.00 0.00 O ATOM 931 CB GLN A 398 11.976 -11.184 -14.425 1.00 0.00 C ATOM 932 CG GLN A 398 11.690 -9.947 -15.297 1.00 0.00 C ATOM 933 CD GLN A 398 12.230 -10.085 -16.723 1.00 0.00 C ATOM 934 OE1 GLN A 398 12.116 -11.115 -17.378 1.00 0.00 O ATOM 935 NE2 GLN A 398 12.841 -9.053 -17.270 1.00 0.00 N ATOM 0 H GLN A 398 12.930 -10.071 -11.958 1.00 0.00 H new ATOM 0 HA GLN A 398 10.341 -10.945 -13.002 1.00 0.00 H new ATOM 0 HB2 GLN A 398 13.054 -11.338 -14.377 1.00 0.00 H new ATOM 0 HB3 GLN A 398 11.550 -12.062 -14.910 1.00 0.00 H new ATOM 0 HG2 GLN A 398 10.614 -9.777 -15.336 1.00 0.00 H new ATOM 0 HG3 GLN A 398 12.134 -9.068 -14.829 1.00 0.00 H new ATOM 0 HE21 GLN A 398 12.947 -8.186 -16.744 1.00 0.00 H new ATOM 0 HE22 GLN A 398 13.207 -9.122 -18.219 1.00 0.00 H new ATOM 944 N ALA A 399 12.536 -12.444 -11.229 1.00 0.00 N ATOM 945 CA ALA A 399 12.812 -13.642 -10.437 1.00 0.00 C ATOM 946 C ALA A 399 11.809 -13.830 -9.295 1.00 0.00 C ATOM 947 O ALA A 399 11.323 -14.939 -9.077 1.00 0.00 O ATOM 948 CB ALA A 399 14.219 -13.538 -9.821 1.00 0.00 C ATOM 0 H ALA A 399 13.078 -11.629 -10.940 1.00 0.00 H new ATOM 0 HA ALA A 399 12.734 -14.495 -11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 399 14.425 -14.431 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 399 14.959 -13.451 -10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 399 14.271 -12.659 -9.179 1.00 0.00 H new ATOM 954 N PRO A 400 11.562 -12.751 -8.542 1.00 0.00 N ATOM 955 CA PRO A 400 10.756 -12.703 -7.314 1.00 0.00 C ATOM 956 C PRO A 400 11.280 -13.594 -6.177 1.00 0.00 C ATOM 957 O PRO A 400 11.786 -13.105 -5.172 1.00 0.00 O ATOM 961 N LYS A 401 11.202 -14.914 -6.358 1.00 0.00 N ATOM 962 CA LYS A 401 11.641 -15.953 -5.402 1.00 0.00 C ATOM 963 C LYS A 401 13.150 -16.189 -5.445 1.00 0.00 C ATOM 964 O LYS A 401 13.789 -16.323 -4.402 1.00 0.00 O ATOM 965 CB LYS A 401 10.875 -17.264 -5.664 1.00 0.00 C ATOM 966 CG LYS A 401 9.380 -17.134 -5.316 1.00 0.00 C ATOM 967 CD LYS A 401 8.570 -18.403 -5.624 1.00 0.00 C ATOM 968 CE LYS A 401 8.976 -19.602 -4.755 1.00 0.00 C ATOM 969 NZ LYS A 401 8.131 -20.791 -5.045 1.00 0.00 N ATOM 0 H LYS A 401 10.814 -15.314 -7.212 1.00 0.00 H new ATOM 0 HA LYS A 401 11.411 -15.594 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 401 10.981 -17.543 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 401 11.317 -18.067 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 401 9.280 -16.896 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 401 8.956 -16.297 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 401 7.510 -18.196 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 401 8.699 -18.663 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 401 10.023 -19.845 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 401 8.886 -19.337 -3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 8.430 -21.584 -4.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 7.135 -20.565 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 8.237 -21.057 -6.045 1.00 0.00 H new ATOM 983 N ALA A 402 13.724 -16.194 -6.650 1.00 0.00 N ATOM 984 CA ALA A 402 15.166 -16.351 -6.862 1.00 0.00 C ATOM 985 C ALA A 402 15.919 -15.024 -6.627 1.00 0.00 C ATOM 986 O ALA A 402 17.130 -15.023 -6.401 1.00 0.00 O ATOM 987 CB ALA A 402 15.396 -16.911 -8.271 1.00 0.00 C ATOM 0 H ALA A 402 13.196 -16.088 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 402 15.571 -17.055 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 402 16.465 -17.033 -8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 402 14.900 -17.877 -8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 402 14.986 -16.221 -9.008 1.00 0.00 H new ATOM 993 N CYS A 403 15.188 -13.899 -6.614 1.00 0.00 N ATOM 994 CA CYS A 403 15.651 -12.544 -6.326 1.00 0.00 C ATOM 995 C CYS A 403 15.768 -12.341 -4.782 1.00 0.00 C ATOM 996 O CYS A 403 15.526 -11.254 -4.268 1.00 0.00 O ATOM 997 CB CYS A 403 14.740 -11.520 -7.015 1.00 0.00 C ATOM 998 SG CYS A 403 15.438 -9.824 -7.005 1.00 0.00 S ATOM 0 H CYS A 403 14.189 -13.920 -6.819 1.00 0.00 H new ATOM 0 HA CYS A 403 16.649 -12.389 -6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 403 14.567 -11.830 -8.045 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.770 -11.511 -6.518 1.00 0.00 H new ATOM 0 HG CYS A 403 15.813 -9.516 -5.799 1.00 0.00 H new ATOM 1003 N GLN A 404 16.035 -13.445 -4.065 1.00 0.00 N ATOM 1004 CA GLN A 404 16.178 -13.799 -2.637 1.00 0.00 C ATOM 1005 C GLN A 404 16.465 -12.705 -1.581 1.00 0.00 C ATOM 1006 O GLN A 404 16.336 -12.979 -0.385 1.00 0.00 O ATOM 1007 CB GLN A 404 17.203 -14.956 -2.580 1.00 0.00 C ATOM 1008 CG GLN A 404 17.358 -15.713 -1.248 1.00 0.00 C ATOM 1009 CD GLN A 404 16.062 -16.347 -0.739 1.00 0.00 C ATOM 1010 OE1 GLN A 404 15.765 -17.510 -0.982 1.00 0.00 O ATOM 1011 NE2 GLN A 404 15.245 -15.614 -0.012 1.00 0.00 N ATOM 0 H GLN A 404 16.189 -14.299 -4.601 1.00 0.00 H new ATOM 0 HA GLN A 404 15.174 -14.064 -2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 404 16.933 -15.681 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 404 18.179 -14.553 -2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 404 18.109 -16.494 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 404 17.735 -15.024 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 404 15.480 -14.644 0.198 1.00 0.00 H new ATOM 0 HE22 GLN A 404 14.377 -16.016 0.341 1.00 0.00 H new ATOM 1020 N VAL A 405 16.781 -11.472 -1.975 1.00 0.00 N ATOM 1021 CA VAL A 405 16.932 -10.306 -1.094 1.00 0.00 C ATOM 1022 C VAL A 405 15.655 -10.191 -0.261 1.00 0.00 C ATOM 1023 O VAL A 405 14.556 -10.198 -0.822 1.00 0.00 O ATOM 1024 CB VAL A 405 17.151 -9.007 -1.897 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.630 -7.893 -0.961 1.00 0.00 C ATOM 1026 CG2 VAL A 405 18.189 -9.166 -3.013 1.00 0.00 C ATOM 0 H VAL A 405 16.946 -11.245 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 405 17.808 -10.442 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 405 16.192 -8.760 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.783 -6.978 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.880 -7.718 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.569 -8.190 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 405 18.301 -8.220 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 405 19.147 -9.455 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.859 -9.936 -3.710 1.00 0.00 H new ATOM 1036 N ALA A 406 15.796 -10.143 1.065 1.00 0.00 N ATOM 1037 CA ALA A 406 14.696 -10.174 2.031 1.00 0.00 C ATOM 1038 C ALA A 406 13.436 -9.399 1.609 1.00 0.00 C ATOM 1039 O ALA A 406 12.361 -9.985 1.449 1.00 0.00 O ATOM 1040 CB ALA A 406 15.242 -9.691 3.379 1.00 0.00 C ATOM 0 H ALA A 406 16.711 -10.079 1.511 1.00 0.00 H new ATOM 0 HA ALA A 406 14.343 -11.203 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 406 14.443 -9.703 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.048 -10.350 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 406 15.624 -8.676 3.274 1.00 0.00 H new ATOM 1046 N HIS A 407 13.580 -8.088 1.403 1.00 0.00 N ATOM 1047 CA HIS A 407 12.475 -7.214 1.018 1.00 0.00 C ATOM 1048 C HIS A 407 11.772 -7.632 -0.281 1.00 0.00 C ATOM 1049 O HIS A 407 10.542 -7.645 -0.295 1.00 0.00 O ATOM 1050 CB HIS A 407 12.931 -5.744 0.976 1.00 0.00 C ATOM 1051 CG HIS A 407 14.158 -5.448 0.143 1.00 0.00 C ATOM 1052 ND1 HIS A 407 15.402 -5.118 0.635 1.00 0.00 N ATOM 1053 CD2 HIS A 407 14.233 -5.356 -1.223 1.00 0.00 C ATOM 1054 CE1 HIS A 407 16.203 -4.829 -0.404 1.00 0.00 C ATOM 1055 NE2 HIS A 407 15.535 -4.969 -1.563 1.00 0.00 N ATOM 0 H HIS A 407 14.472 -7.603 1.500 1.00 0.00 H new ATOM 0 HA HIS A 407 11.718 -7.321 1.795 1.00 0.00 H new ATOM 0 HB2 HIS A 407 12.106 -5.140 0.597 1.00 0.00 H new ATOM 0 HB3 HIS A 407 13.123 -5.416 1.997 1.00 0.00 H new ATOM 0 HD2 HIS A 407 13.428 -5.549 -1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 407 17.237 -4.527 -0.321 1.00 0.00 H new ATOM 0 HE2 HIS A 407 15.904 -4.822 -2.503 1.00 0.00 H new ATOM 1063 N CYS A 408 12.499 -8.008 -1.342 1.00 0.00 N ATOM 1064 CA CYS A 408 11.883 -8.399 -2.614 1.00 0.00 C ATOM 1065 C CYS A 408 11.205 -9.769 -2.537 1.00 0.00 C ATOM 1066 O CYS A 408 10.018 -9.879 -2.865 1.00 0.00 O ATOM 1067 CB CYS A 408 12.951 -8.416 -3.722 1.00 0.00 C ATOM 1068 SG CYS A 408 12.350 -9.345 -5.182 1.00 0.00 S ATOM 0 H CYS A 408 13.518 -8.049 -1.343 1.00 0.00 H new ATOM 0 HA CYS A 408 11.111 -7.664 -2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.199 -7.395 -4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.866 -8.872 -3.345 1.00 0.00 H new ATOM 0 HG CYS A 408 12.118 -8.518 -6.157 1.00 0.00 H new ATOM 1073 N ALA A 409 11.941 -10.794 -2.101 1.00 0.00 N ATOM 1074 CA ALA A 409 11.416 -12.148 -1.999 1.00 0.00 C ATOM 1075 C ALA A 409 10.137 -12.157 -1.145 1.00 0.00 C ATOM 1076 O ALA A 409 9.123 -12.747 -1.545 1.00 0.00 O ATOM 1077 CB ALA A 409 12.542 -13.084 -1.542 1.00 0.00 C ATOM 0 H ALA A 409 12.915 -10.704 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 409 11.092 -12.535 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.159 -14.102 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.354 -13.058 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.914 -12.759 -0.570 1.00 0.00 H new ATOM 1083 N SER A 410 10.131 -11.420 -0.026 1.00 0.00 N ATOM 1084 CA SER A 410 8.911 -11.222 0.760 1.00 0.00 C ATOM 1085 C SER A 410 7.852 -10.484 -0.070 1.00 0.00 C ATOM 1086 O SER A 410 6.772 -11.036 -0.256 1.00 0.00 O ATOM 1087 CB SER A 410 9.200 -10.461 2.059 1.00 0.00 C ATOM 1088 OG SER A 410 9.924 -11.293 2.952 1.00 0.00 O ATOM 0 H SER A 410 10.955 -10.954 0.352 1.00 0.00 H new ATOM 0 HA SER A 410 8.524 -12.205 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 410 9.772 -9.559 1.843 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.265 -10.143 2.521 1.00 0.00 H new ATOM 0 HG SER A 410 10.885 -11.180 2.798 1.00 0.00 H new ATOM 1094 N SER A 411 8.142 -9.288 -0.613 1.00 0.00 N ATOM 1095 CA SER A 411 7.196 -8.476 -1.409 1.00 0.00 C ATOM 1096 C SER A 411 6.413 -9.279 -2.450 1.00 0.00 C ATOM 1097 O SER A 411 5.181 -9.227 -2.489 1.00 0.00 O ATOM 1098 CB SER A 411 7.902 -7.275 -2.089 1.00 0.00 C ATOM 1099 OG SER A 411 8.532 -7.577 -3.318 1.00 0.00 O ATOM 0 H SER A 411 9.057 -8.848 -0.511 1.00 0.00 H new ATOM 0 HA SER A 411 6.470 -8.104 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.168 -6.487 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.648 -6.874 -1.403 1.00 0.00 H new ATOM 0 HG SER A 411 9.088 -8.377 -3.213 1.00 0.00 H new ATOM 1105 N ARG A 412 7.119 -10.054 -3.279 1.00 0.00 N ATOM 1106 CA ARG A 412 6.503 -10.857 -4.333 1.00 0.00 C ATOM 1107 C ARG A 412 5.769 -12.065 -3.762 1.00 0.00 C ATOM 1108 O ARG A 412 4.698 -12.376 -4.274 1.00 0.00 O ATOM 1109 CB ARG A 412 7.508 -11.236 -5.433 1.00 0.00 C ATOM 1110 CG ARG A 412 8.192 -9.991 -6.035 1.00 0.00 C ATOM 1111 CD ARG A 412 8.476 -10.120 -7.535 1.00 0.00 C ATOM 1112 NE ARG A 412 7.385 -9.570 -8.364 1.00 0.00 N ATOM 1113 CZ ARG A 412 7.519 -9.124 -9.601 1.00 0.00 C ATOM 1114 NH1 ARG A 412 8.642 -9.240 -10.247 1.00 0.00 N ATOM 1115 NH2 ARG A 412 6.531 -8.534 -10.205 1.00 0.00 N ATOM 0 H ARG A 412 8.134 -10.140 -3.236 1.00 0.00 H new ATOM 0 HA ARG A 412 5.749 -10.236 -4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.265 -11.903 -5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 412 6.994 -11.786 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.559 -9.120 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 412 9.130 -9.810 -5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 412 9.405 -9.602 -7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 412 8.624 -11.171 -7.785 1.00 0.00 H new ATOM 0 HE ARG A 412 6.454 -9.531 -7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 412 9.444 -9.683 -9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 412 8.720 -8.888 -11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 412 5.640 -8.411 -9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 412 6.647 -8.194 -11.160 1.00 0.00 H new ATOM 1129 N GLN A 413 6.257 -12.704 -2.690 1.00 0.00 N ATOM 1130 CA GLN A 413 5.491 -13.787 -2.047 1.00 0.00 C ATOM 1131 C GLN A 413 4.142 -13.279 -1.495 1.00 0.00 C ATOM 1132 O GLN A 413 3.107 -13.880 -1.793 1.00 0.00 O ATOM 1133 CB GLN A 413 6.322 -14.474 -0.954 1.00 0.00 C ATOM 1134 CG GLN A 413 7.325 -15.465 -1.566 1.00 0.00 C ATOM 1135 CD GLN A 413 8.263 -16.036 -0.509 1.00 0.00 C ATOM 1136 OE1 GLN A 413 8.146 -17.172 -0.067 1.00 0.00 O ATOM 1137 NE2 GLN A 413 9.226 -15.260 -0.061 1.00 0.00 N ATOM 0 H GLN A 413 7.157 -12.499 -2.256 1.00 0.00 H new ATOM 0 HA GLN A 413 5.265 -14.531 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 413 6.856 -13.723 -0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.660 -14.999 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 413 6.785 -16.278 -2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 413 7.908 -14.964 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 413 9.329 -14.313 -0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 413 9.870 -15.606 0.651 1.00 0.00 H new ATOM 1146 N ILE A 414 4.108 -12.146 -0.772 1.00 0.00 N ATOM 1147 CA ILE A 414 2.842 -11.549 -0.304 1.00 0.00 C ATOM 1148 C ILE A 414 1.902 -11.070 -1.403 1.00 0.00 C ATOM 1149 O ILE A 414 0.695 -11.297 -1.310 1.00 0.00 O ATOM 1150 CB ILE A 414 2.967 -10.496 0.824 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.225 -9.622 0.960 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.399 -11.054 2.138 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.194 -10.106 2.051 1.00 0.00 C ATOM 0 H ILE A 414 4.941 -11.625 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 414 2.368 -12.418 0.152 1.00 0.00 H new ATOM 0 HB ILE A 414 2.339 -9.684 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 414 4.748 -9.601 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 414 3.924 -8.598 1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 414 2.493 -10.303 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.347 -11.307 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 414 2.953 -11.948 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 414 6.058 -9.443 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 414 4.687 -10.100 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.525 -11.119 1.821 1.00 0.00 H new ATOM 1165 N ILE A 415 2.421 -10.426 -2.443 1.00 0.00 N ATOM 1166 CA ILE A 415 1.573 -9.954 -3.548 1.00 0.00 C ATOM 1167 C ILE A 415 1.110 -11.108 -4.453 1.00 0.00 C ATOM 1168 O ILE A 415 -0.019 -11.079 -4.937 1.00 0.00 O ATOM 1169 CB ILE A 415 2.245 -8.750 -4.231 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.746 -7.475 -3.508 1.00 0.00 C ATOM 1171 CG2 ILE A 415 2.008 -8.718 -5.747 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.269 -6.155 -4.087 1.00 0.00 C ATOM 0 H ILE A 415 3.414 -10.217 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 415 0.624 -9.569 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 415 3.329 -8.823 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.657 -7.461 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 415 2.035 -7.534 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.505 -7.847 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.412 -9.624 -6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 415 0.938 -8.659 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 415 1.864 -5.321 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.357 -6.139 -4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.958 -6.065 -5.128 1.00 0.00 H new ATOM 1184 N SER A 416 1.898 -12.173 -4.616 1.00 0.00 N ATOM 1185 CA SER A 416 1.467 -13.393 -5.316 1.00 0.00 C ATOM 1186 C SER A 416 0.342 -14.057 -4.514 1.00 0.00 C ATOM 1187 O SER A 416 -0.682 -14.440 -5.085 1.00 0.00 O ATOM 1188 CB SER A 416 2.625 -14.347 -5.545 1.00 0.00 C ATOM 1189 OG SER A 416 2.190 -15.479 -6.280 1.00 0.00 O ATOM 0 H SER A 416 2.855 -12.217 -4.267 1.00 0.00 H new ATOM 0 HA SER A 416 1.092 -13.122 -6.303 1.00 0.00 H new ATOM 0 HB2 SER A 416 3.423 -13.838 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 416 3.040 -14.663 -4.588 1.00 0.00 H new ATOM 0 HG SER A 416 2.946 -16.086 -6.423 1.00 0.00 H new ATOM 1195 N HIS A 417 0.467 -14.100 -3.180 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.625 -14.514 -2.298 1.00 0.00 C ATOM 1197 C HIS A 417 -1.860 -13.624 -2.540 1.00 0.00 C ATOM 1198 O HIS A 417 -2.943 -14.156 -2.756 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.158 -14.517 -0.828 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.252 -14.219 0.156 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -1.598 -12.983 0.656 1.00 0.00 N ATOM 1202 CD2 HIS A 417 -2.240 -15.087 0.491 1.00 0.00 C ATOM 1203 CE1 HIS A 417 -2.797 -13.103 1.254 1.00 0.00 C ATOM 1204 NE2 HIS A 417 -3.229 -14.374 1.178 1.00 0.00 N ATOM 0 H HIS A 417 1.324 -13.850 -2.688 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.920 -15.538 -2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.272 -15.491 -0.595 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.637 -13.781 -0.708 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -2.260 -16.143 0.267 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -3.335 -12.295 1.727 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -4.104 -14.745 1.548 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.711 -12.292 -2.571 1.00 0.00 N ATOM 1213 CA TRP A 418 -2.815 -11.354 -2.830 1.00 0.00 C ATOM 1214 C TRP A 418 -3.513 -11.602 -4.180 1.00 0.00 C ATOM 1215 O TRP A 418 -4.736 -11.473 -4.283 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.302 -9.910 -2.764 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.337 -8.871 -2.454 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.103 -8.823 -1.337 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -3.715 -7.700 -3.245 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -4.923 -7.713 -1.384 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -4.722 -6.979 -2.532 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.304 -7.167 -4.487 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -5.282 -5.787 -3.017 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -3.860 -5.971 -4.986 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -4.841 -5.278 -4.252 1.00 0.00 C ATOM 0 H TRP A 418 -0.814 -11.831 -2.416 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.561 -11.523 -2.053 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.519 -9.855 -2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -1.839 -9.663 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.076 -9.543 -0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -5.595 -7.467 -0.657 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -2.552 -7.684 -5.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -6.041 -5.268 -2.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -3.531 -5.584 -5.939 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -5.254 -4.357 -4.636 1.00 0.00 H new ATOM 1236 N LYS A 419 -2.744 -11.972 -5.216 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.258 -12.281 -6.563 1.00 0.00 C ATOM 1238 C LYS A 419 -4.036 -13.606 -6.605 1.00 0.00 C ATOM 1239 O LYS A 419 -5.088 -13.678 -7.242 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.077 -12.314 -7.554 1.00 0.00 C ATOM 1241 CG LYS A 419 -1.541 -10.904 -7.865 1.00 0.00 C ATOM 1242 CD LYS A 419 -0.134 -10.963 -8.485 1.00 0.00 C ATOM 1243 CE LYS A 419 0.415 -9.578 -8.850 1.00 0.00 C ATOM 1244 NZ LYS A 419 -0.345 -8.926 -9.950 1.00 0.00 N ATOM 0 H LYS A 419 -1.731 -12.067 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 419 -3.963 -11.500 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.274 -12.923 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -2.395 -12.793 -8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -2.221 -10.397 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -1.512 -10.314 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 419 0.547 -11.445 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.162 -11.585 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 419 0.389 -8.938 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 419 1.460 -9.673 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 0.110 -8.025 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -0.357 -9.551 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -1.321 -8.746 -9.639 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.519 -14.650 -5.951 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.114 -15.993 -5.912 1.00 0.00 C ATOM 1260 C ASN A 420 -5.276 -16.169 -4.912 1.00 0.00 C ATOM 1261 O ASN A 420 -6.325 -16.714 -5.265 1.00 0.00 O ATOM 1262 CB ASN A 420 -2.994 -17.011 -5.621 1.00 0.00 C ATOM 1263 CG ASN A 420 -2.098 -17.256 -6.826 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -2.421 -18.024 -7.723 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -0.955 -16.613 -6.902 1.00 0.00 N ATOM 0 H ASN A 420 -2.651 -14.585 -5.419 1.00 0.00 H new ATOM 0 HA ASN A 420 -4.570 -16.161 -6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.388 -16.651 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.439 -17.955 -5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -0.342 -16.755 -7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -0.680 -15.972 -6.158 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.077 -15.750 -3.661 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.008 -15.887 -2.546 1.00 0.00 C ATOM 1274 C CYS A 421 -7.234 -14.959 -2.645 1.00 0.00 C ATOM 1275 O CYS A 421 -7.146 -13.806 -3.079 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.231 -15.618 -1.247 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.191 -16.074 0.230 1.00 0.00 S ATOM 0 H CYS A 421 -4.214 -15.281 -3.387 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.412 -16.899 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.297 -16.180 -1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -4.966 -14.562 -1.195 1.00 0.00 H new ATOM 0 HG CYS A 421 -6.354 -15.026 0.982 1.00 0.00 H new ATOM 1282 N THR A 422 -8.382 -15.478 -2.210 1.00 0.00 N ATOM 1283 CA THR A 422 -9.688 -14.793 -2.169 1.00 0.00 C ATOM 1284 C THR A 422 -10.414 -14.960 -0.822 1.00 0.00 C ATOM 1285 O THR A 422 -11.504 -14.409 -0.637 1.00 0.00 O ATOM 1286 CB THR A 422 -10.598 -15.316 -3.297 1.00 0.00 C ATOM 1287 OG1 THR A 422 -10.919 -16.676 -3.073 1.00 0.00 O ATOM 1288 CG2 THR A 422 -9.928 -15.237 -4.670 1.00 0.00 C ATOM 0 H THR A 422 -8.437 -16.434 -1.858 1.00 0.00 H new ATOM 0 HA THR A 422 -9.482 -13.731 -2.303 1.00 0.00 H new ATOM 0 HB THR A 422 -11.486 -14.685 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 422 -11.499 -16.998 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.610 -15.617 -5.430 1.00 0.00 H new ATOM 0 HG22 THR A 422 -9.677 -14.200 -4.893 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.018 -15.837 -4.666 1.00 0.00 H new ATOM 1296 N ARG A 423 -9.822 -15.708 0.123 1.00 0.00 N ATOM 1297 CA ARG A 423 -10.378 -16.069 1.441 1.00 0.00 C ATOM 1298 C ARG A 423 -10.952 -14.908 2.263 1.00 0.00 C ATOM 1299 O ARG A 423 -10.394 -13.813 2.342 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.312 -16.814 2.271 1.00 0.00 C ATOM 1301 CG ARG A 423 -8.945 -18.220 1.761 1.00 0.00 C ATOM 1302 CD ARG A 423 -10.087 -19.249 1.798 1.00 0.00 C ATOM 1303 NE ARG A 423 -10.569 -19.527 3.170 1.00 0.00 N ATOM 1304 CZ ARG A 423 -11.113 -20.646 3.613 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -11.323 -21.681 2.846 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -11.464 -20.736 4.860 1.00 0.00 N ATOM 0 H ARG A 423 -8.891 -16.100 -0.018 1.00 0.00 H new ATOM 0 HA ARG A 423 -11.233 -16.708 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -8.407 -16.207 2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -9.669 -16.899 3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -8.587 -18.135 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -8.115 -18.600 2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -10.918 -18.884 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -9.746 -20.179 1.343 1.00 0.00 H new ATOM 0 HE ARG A 423 -10.470 -18.771 3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -11.064 -21.646 1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -11.746 -22.525 3.233 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -11.319 -19.946 5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -11.885 -21.596 5.211 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.069 -15.206 2.917 1.00 0.00 N ATOM 1321 CA HIS A 424 -12.823 -14.372 3.848 1.00 0.00 C ATOM 1322 C HIS A 424 -12.229 -14.336 5.273 1.00 0.00 C ATOM 1323 O HIS A 424 -12.749 -13.618 6.124 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.291 -14.832 3.872 1.00 0.00 C ATOM 1325 CG HIS A 424 -15.023 -14.582 2.575 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -15.683 -13.423 2.223 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -15.188 -15.466 1.541 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -16.229 -13.602 1.009 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -15.953 -14.836 0.548 1.00 0.00 N ATOM 0 H HIS A 424 -12.510 -16.118 2.799 1.00 0.00 H new ATOM 0 HA HIS A 424 -12.759 -13.347 3.484 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -14.326 -15.897 4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -14.812 -14.316 4.679 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -14.797 -16.472 1.498 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -16.808 -12.861 0.478 1.00 0.00 H new ATOM 0 HE2 HIS A 424 -16.242 -15.234 -0.345 1.00 0.00 H new ATOM 1337 N ASP A 425 -11.242 -15.193 5.572 1.00 0.00 N ATOM 1338 CA ASP A 425 -10.674 -15.474 6.899 1.00 0.00 C ATOM 1339 C ASP A 425 -9.144 -15.714 6.889 1.00 0.00 C ATOM 1340 O ASP A 425 -8.646 -16.665 7.502 1.00 0.00 O ATOM 1341 CB ASP A 425 -11.459 -16.654 7.503 1.00 0.00 C ATOM 1342 CG ASP A 425 -11.277 -17.998 6.762 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -10.942 -18.032 5.552 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -11.523 -19.065 7.371 1.00 0.00 O ATOM 0 H ASP A 425 -10.789 -15.746 4.844 1.00 0.00 H new ATOM 0 HA ASP A 425 -10.786 -14.589 7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -11.153 -16.783 8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -12.519 -16.401 7.512 1.00 0.00 H new ATOM 1349 N CYS A 426 -8.390 -14.855 6.191 1.00 0.00 N ATOM 1350 CA CYS A 426 -6.922 -14.973 6.046 1.00 0.00 C ATOM 1351 C CYS A 426 -6.215 -13.932 6.961 1.00 0.00 C ATOM 1352 O CYS A 426 -6.814 -12.888 7.227 1.00 0.00 O ATOM 1353 CB CYS A 426 -6.651 -14.771 4.550 1.00 0.00 C ATOM 1354 SG CYS A 426 -5.195 -15.658 3.920 1.00 0.00 S ATOM 0 H CYS A 426 -8.780 -14.048 5.704 1.00 0.00 H new ATOM 0 HA CYS A 426 -6.527 -15.938 6.363 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -7.528 -15.093 3.988 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -6.523 -13.706 4.358 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.339 -15.879 2.647 1.00 0.00 H new ATOM 1359 N PRO A 427 -4.969 -14.122 7.451 1.00 0.00 N ATOM 1360 CA PRO A 427 -4.307 -13.193 8.381 1.00 0.00 C ATOM 1361 C PRO A 427 -3.902 -11.842 7.762 1.00 0.00 C ATOM 1362 O PRO A 427 -3.324 -10.996 8.447 1.00 0.00 O ATOM 1363 CB PRO A 427 -3.115 -13.967 8.954 1.00 0.00 C ATOM 1364 CG PRO A 427 -2.750 -14.932 7.832 1.00 0.00 C ATOM 1365 CD PRO A 427 -4.089 -15.237 7.158 1.00 0.00 C ATOM 0 HA PRO A 427 -5.005 -12.887 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -2.286 -13.304 9.200 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -3.382 -14.496 9.869 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -2.044 -14.483 7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -2.283 -15.837 8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -3.962 -15.357 6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -4.508 -16.170 7.535 1.00 0.00 H new ATOM 1373 N VAL A 428 -4.217 -11.633 6.481 1.00 0.00 N ATOM 1374 CA VAL A 428 -3.960 -10.405 5.716 1.00 0.00 C ATOM 1375 C VAL A 428 -5.211 -9.983 4.928 1.00 0.00 C ATOM 1376 O VAL A 428 -5.603 -8.809 4.972 1.00 0.00 O ATOM 1377 CB VAL A 428 -2.763 -10.589 4.773 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -2.319 -9.195 4.317 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -1.566 -11.321 5.390 1.00 0.00 C ATOM 0 H VAL A 428 -4.680 -12.348 5.920 1.00 0.00 H new ATOM 0 HA VAL A 428 -3.717 -9.611 6.422 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.096 -11.221 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -1.467 -9.287 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.141 -8.703 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -2.032 -8.602 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -0.770 -11.404 4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -1.203 -10.762 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -1.873 -12.318 5.706 1.00 0.00 H new ATOM 1389 N CYS A 429 -5.895 -10.941 4.283 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.181 -10.697 3.637 1.00 0.00 C ATOM 1391 C CYS A 429 -8.273 -10.213 4.599 1.00 0.00 C ATOM 1392 O CYS A 429 -8.934 -9.245 4.248 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.652 -11.850 2.734 1.00 0.00 C ATOM 1394 SG CYS A 429 -6.278 -12.773 1.978 1.00 0.00 S ATOM 0 H CYS A 429 -5.567 -11.903 4.198 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.990 -9.860 2.965 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.263 -12.536 3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.289 -11.449 1.946 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.151 -12.206 2.291 1.00 0.00 H new ATOM 1399 N LEU A 430 -8.456 -10.791 5.798 1.00 0.00 N ATOM 1400 CA LEU A 430 -9.445 -10.282 6.764 1.00 0.00 C ATOM 1401 C LEU A 430 -9.192 -8.794 7.095 1.00 0.00 C ATOM 1402 O LEU A 430 -10.091 -7.981 6.865 1.00 0.00 O ATOM 1403 CB LEU A 430 -9.548 -11.162 8.021 1.00 0.00 C ATOM 1404 CG LEU A 430 -10.874 -11.905 8.182 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -10.833 -12.762 9.449 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -12.107 -11.003 8.273 1.00 0.00 C ATOM 0 H LEU A 430 -7.935 -11.607 6.121 1.00 0.00 H new ATOM 0 HA LEU A 430 -10.423 -10.340 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -8.739 -11.893 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -9.391 -10.535 8.899 1.00 0.00 H new ATOM 0 HG LEU A 430 -10.977 -12.502 7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -11.780 -13.291 9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -10.021 -13.485 9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -10.670 -12.122 10.316 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -13.000 -11.618 8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -12.011 -10.341 9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -12.189 -10.407 7.364 1.00 0.00 H new ATOM 1418 N PRO A 431 -7.982 -8.407 7.560 1.00 0.00 N ATOM 1419 CA PRO A 431 -7.605 -7.007 7.744 1.00 0.00 C ATOM 1420 C PRO A 431 -7.977 -6.106 6.562 1.00 0.00 C ATOM 1421 O PRO A 431 -8.679 -5.115 6.750 1.00 0.00 O ATOM 1422 CB PRO A 431 -6.084 -7.024 7.905 1.00 0.00 C ATOM 1423 CG PRO A 431 -5.814 -8.363 8.572 1.00 0.00 C ATOM 1424 CD PRO A 431 -6.866 -9.270 7.941 1.00 0.00 C ATOM 0 HA PRO A 431 -8.139 -6.595 8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -5.577 -6.945 6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -5.736 -6.193 8.518 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -4.802 -8.717 8.374 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -5.925 -8.306 9.655 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -6.461 -9.787 7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -7.191 -10.036 8.645 1.00 0.00 H new ATOM 1432 N LEU A 432 -7.530 -6.439 5.344 1.00 0.00 N ATOM 1433 CA LEU A 432 -7.805 -5.625 4.147 1.00 0.00 C ATOM 1434 C LEU A 432 -9.284 -5.614 3.748 1.00 0.00 C ATOM 1435 O LEU A 432 -9.767 -4.622 3.202 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.954 -6.130 2.975 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.609 -5.376 2.980 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -4.506 -6.217 2.344 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -5.701 -4.040 2.238 1.00 0.00 C ATOM 0 H LEU A 432 -6.972 -7.272 5.159 1.00 0.00 H new ATOM 0 HA LEU A 432 -7.542 -4.597 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.786 -7.203 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -7.475 -5.967 2.032 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.367 -5.183 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.569 -5.661 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.387 -7.145 2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -4.773 -6.447 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -4.732 -3.541 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.988 -4.218 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.448 -3.408 2.718 1.00 0.00 H new