USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 31 CYS SG : rot -126:sc= -0.368 USER MOD Set 1.2: A 33 CYS SG : rot -131:sc= -1.73! USER MOD Set 1.3: A 53 CYS SG : rot 90:sc= 0.823 USER MOD Set 1.4: A 56 CYS SG : rot -65:sc= -3.83 USER MOD Set 2.1: A 14 CYS SG : rot 158:sc= 0.42 USER MOD Set 2.2: A 17 CYS SG : rot -63:sc= 0.854 USER MOD Set 2.3: A 38 CYS SG : rot -137:sc= 0.585 USER MOD Set 2.4: A 41 CYS SG : rot 151:sc= -2! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.512 K(o=-0.51,f=-1.2) USER MOD Single : A 32 THR OG1 : rot -27:sc= 0.323 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 36 GLN : amide:sc= -7.31! C(o=-7.3!,f=-14!) USER MOD Single : A 43 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.0048) USER MOD Single : A 47 THR OG1 : rot 133:sc= 1 USER MOD Single : A 50 ASN : amide:sc= -2.3 K(o=-2.3,f=-9.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 72:sc= 0.07 USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -14.222 1.326 -1.719 1.00 0.00 N ATOM 166 CA VAL A 12 -12.929 0.676 -2.071 1.00 0.00 C ATOM 167 C VAL A 12 -12.815 -0.657 -1.330 1.00 0.00 C ATOM 168 O VAL A 12 -13.091 -0.747 -0.149 1.00 0.00 O ATOM 169 CB VAL A 12 -11.770 1.588 -1.664 1.00 0.00 C ATOM 170 CG1 VAL A 12 -10.445 0.869 -1.919 1.00 0.00 C ATOM 171 CG2 VAL A 12 -11.816 2.877 -2.489 1.00 0.00 C ATOM 0 HA VAL A 12 -12.890 0.501 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.856 1.833 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.618 1.517 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.410 -0.048 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.361 0.625 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.990 3.525 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.731 2.634 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.761 3.390 -2.309 1.00 0.00 H new ATOM 181 N GLU A 13 -12.411 -1.694 -2.011 1.00 0.00 N ATOM 182 CA GLU A 13 -12.282 -3.017 -1.342 1.00 0.00 C ATOM 183 C GLU A 13 -10.931 -3.640 -1.696 1.00 0.00 C ATOM 184 O GLU A 13 -10.461 -3.539 -2.812 1.00 0.00 O ATOM 185 CB GLU A 13 -13.408 -3.940 -1.813 1.00 0.00 C ATOM 186 CG GLU A 13 -14.727 -3.505 -1.169 1.00 0.00 C ATOM 187 CD GLU A 13 -15.732 -3.116 -2.258 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.375 -3.183 -3.422 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.844 -2.758 -1.906 1.00 0.00 O ATOM 0 H GLU A 13 -12.165 -1.681 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.349 -2.884 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.492 -3.904 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.183 -4.972 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.130 -4.315 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.555 -2.661 -0.501 1.00 0.00 H new ATOM 196 N CYS A 14 -10.303 -4.283 -0.752 1.00 0.00 N ATOM 197 CA CYS A 14 -8.983 -4.912 -1.029 1.00 0.00 C ATOM 198 C CYS A 14 -9.071 -5.743 -2.316 1.00 0.00 C ATOM 199 O CYS A 14 -9.844 -6.676 -2.389 1.00 0.00 O ATOM 200 CB CYS A 14 -8.606 -5.825 0.139 1.00 0.00 C ATOM 201 SG CYS A 14 -6.949 -6.496 -0.136 1.00 0.00 S ATOM 0 H CYS A 14 -10.648 -4.400 0.201 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.227 -4.136 -1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.634 -5.267 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.329 -6.636 0.229 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.440 -6.875 0.999 1.00 0.00 H new ATOM 206 N PRO A 15 -8.276 -5.383 -3.294 1.00 0.00 N ATOM 207 CA PRO A 15 -8.245 -6.087 -4.589 1.00 0.00 C ATOM 208 C PRO A 15 -7.395 -7.358 -4.483 1.00 0.00 C ATOM 209 O PRO A 15 -7.255 -8.105 -5.432 1.00 0.00 O ATOM 210 CB PRO A 15 -7.583 -5.077 -5.529 1.00 0.00 C ATOM 211 CG PRO A 15 -6.765 -4.118 -4.632 1.00 0.00 C ATOM 212 CD PRO A 15 -7.343 -4.241 -3.209 1.00 0.00 C ATOM 0 HA PRO A 15 -9.232 -6.402 -4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.938 -5.581 -6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.332 -4.530 -6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.708 -4.384 -4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.840 -3.092 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.558 -4.422 -2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.857 -3.328 -2.908 1.00 0.00 H new ATOM 220 N LEU A 16 -6.815 -7.603 -3.340 1.00 0.00 N ATOM 221 CA LEU A 16 -5.963 -8.816 -3.181 1.00 0.00 C ATOM 222 C LEU A 16 -6.762 -9.938 -2.509 1.00 0.00 C ATOM 223 O LEU A 16 -6.459 -11.103 -2.670 1.00 0.00 O ATOM 224 CB LEU A 16 -4.743 -8.477 -2.318 1.00 0.00 C ATOM 225 CG LEU A 16 -4.361 -7.008 -2.511 1.00 0.00 C ATOM 226 CD1 LEU A 16 -2.996 -6.746 -1.870 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.287 -6.691 -4.005 1.00 0.00 C ATOM 0 H LEU A 16 -6.894 -7.016 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.636 -9.149 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.964 -8.669 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.905 -9.119 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.113 -6.375 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.724 -5.699 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.045 -6.971 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.245 -7.381 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.015 -5.644 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.536 -7.326 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.258 -6.877 -4.465 1.00 0.00 H new ATOM 239 N CYS A 17 -7.772 -9.606 -1.750 1.00 0.00 N ATOM 240 CA CYS A 17 -8.566 -10.674 -1.074 1.00 0.00 C ATOM 241 C CYS A 17 -10.048 -10.283 -1.042 1.00 0.00 C ATOM 242 O CYS A 17 -10.854 -10.925 -0.398 1.00 0.00 O ATOM 243 CB CYS A 17 -8.046 -10.866 0.356 1.00 0.00 C ATOM 244 SG CYS A 17 -8.599 -9.497 1.409 1.00 0.00 S ATOM 0 H CYS A 17 -8.080 -8.651 -1.570 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.460 -11.608 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.406 -11.813 0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.957 -10.915 0.352 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.089 -8.383 0.976 1.00 0.00 H new ATOM 249 N MET A 18 -10.408 -9.240 -1.735 1.00 0.00 N ATOM 250 CA MET A 18 -11.833 -8.800 -1.752 1.00 0.00 C ATOM 251 C MET A 18 -12.317 -8.529 -0.324 1.00 0.00 C ATOM 252 O MET A 18 -12.359 -9.413 0.508 1.00 0.00 O ATOM 253 CB MET A 18 -12.699 -9.889 -2.385 1.00 0.00 C ATOM 254 CG MET A 18 -13.514 -9.287 -3.531 1.00 0.00 C ATOM 255 SD MET A 18 -15.162 -10.036 -3.557 1.00 0.00 S ATOM 256 CE MET A 18 -15.643 -9.467 -5.206 1.00 0.00 C ATOM 0 H MET A 18 -9.774 -8.669 -2.294 1.00 0.00 H new ATOM 0 HA MET A 18 -11.914 -7.883 -2.336 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.071 -10.698 -2.757 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.365 -10.320 -1.637 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.595 -8.207 -3.406 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.009 -9.460 -4.481 1.00 0.00 H new ATOM 0 HE1 MET A 18 -16.648 -9.822 -5.435 1.00 0.00 H new ATOM 0 HE2 MET A 18 -15.628 -8.377 -5.234 1.00 0.00 H new ATOM 0 HE3 MET A 18 -14.943 -9.859 -5.944 1.00 0.00 H new ATOM 266 N GLU A 19 -12.691 -7.312 -0.037 1.00 0.00 N ATOM 267 CA GLU A 19 -13.181 -6.983 1.333 1.00 0.00 C ATOM 268 C GLU A 19 -13.404 -5.470 1.445 1.00 0.00 C ATOM 269 O GLU A 19 -12.722 -4.696 0.804 1.00 0.00 O ATOM 270 CB GLU A 19 -12.144 -7.427 2.368 1.00 0.00 C ATOM 271 CG GLU A 19 -12.846 -8.178 3.501 1.00 0.00 C ATOM 272 CD GLU A 19 -12.025 -9.409 3.885 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.865 -10.278 3.043 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.569 -9.464 5.015 1.00 0.00 O ATOM 0 H GLU A 19 -12.679 -6.530 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.121 -7.503 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.398 -8.069 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.615 -6.560 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.966 -7.524 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.846 -8.478 3.187 1.00 0.00 H new ATOM 281 N PRO A 20 -14.362 -5.098 2.256 1.00 0.00 N ATOM 282 CA PRO A 20 -14.713 -3.683 2.475 1.00 0.00 C ATOM 283 C PRO A 20 -13.718 -3.017 3.430 1.00 0.00 C ATOM 284 O PRO A 20 -13.661 -3.330 4.602 1.00 0.00 O ATOM 285 CB PRO A 20 -16.104 -3.755 3.111 1.00 0.00 C ATOM 286 CG PRO A 20 -16.227 -5.165 3.736 1.00 0.00 C ATOM 287 CD PRO A 20 -15.185 -6.052 3.029 1.00 0.00 C ATOM 0 HA PRO A 20 -14.692 -3.094 1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.224 -2.982 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.881 -3.592 2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -16.042 -5.130 4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.232 -5.563 3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.582 -6.608 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.662 -6.785 2.378 1.00 0.00 H new ATOM 295 N LEU A 21 -12.937 -2.097 2.936 1.00 0.00 N ATOM 296 CA LEU A 21 -11.950 -1.404 3.810 1.00 0.00 C ATOM 297 C LEU A 21 -12.672 -0.368 4.673 1.00 0.00 C ATOM 298 O LEU A 21 -13.472 0.404 4.186 1.00 0.00 O ATOM 299 CB LEU A 21 -10.917 -0.686 2.942 1.00 0.00 C ATOM 300 CG LEU A 21 -10.083 -1.711 2.176 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.093 -1.363 0.687 1.00 0.00 C ATOM 302 CD2 LEU A 21 -8.647 -1.676 2.696 1.00 0.00 C ATOM 0 H LEU A 21 -12.940 -1.794 1.962 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.456 -2.138 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.418 -0.016 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.270 -0.070 3.566 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.502 -2.707 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.498 -2.093 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.118 -1.378 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.670 -0.369 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.046 -2.406 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.230 -0.680 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.639 -1.918 3.759 1.00 0.00 H new ATOM 314 N GLU A 22 -12.388 -0.332 5.946 1.00 0.00 N ATOM 315 CA GLU A 22 -13.054 0.673 6.818 1.00 0.00 C ATOM 316 C GLU A 22 -12.723 2.071 6.293 1.00 0.00 C ATOM 317 O GLU A 22 -12.285 2.231 5.171 1.00 0.00 O ATOM 318 CB GLU A 22 -12.544 0.529 8.254 1.00 0.00 C ATOM 319 CG GLU A 22 -12.835 -0.885 8.760 1.00 0.00 C ATOM 320 CD GLU A 22 -12.480 -0.980 10.245 1.00 0.00 C ATOM 321 OE1 GLU A 22 -11.804 -0.086 10.730 1.00 0.00 O ATOM 322 OE2 GLU A 22 -12.887 -1.944 10.872 1.00 0.00 O ATOM 0 H GLU A 22 -11.728 -0.951 6.417 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.133 0.517 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.473 0.727 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.027 1.264 8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.887 -1.126 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.257 -1.613 8.190 1.00 0.00 H new ATOM 329 N ILE A 23 -12.916 3.085 7.088 1.00 0.00 N ATOM 330 CA ILE A 23 -12.600 4.464 6.617 1.00 0.00 C ATOM 331 C ILE A 23 -11.086 4.683 6.682 1.00 0.00 C ATOM 332 O ILE A 23 -10.472 5.134 5.734 1.00 0.00 O ATOM 333 CB ILE A 23 -13.303 5.485 7.514 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.804 5.483 7.212 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.733 6.879 7.247 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.415 4.157 7.666 1.00 0.00 C ATOM 0 H ILE A 23 -13.277 3.021 8.040 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.945 4.588 5.591 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.141 5.220 8.559 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.290 6.313 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.971 5.626 6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.234 7.606 7.886 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.664 6.883 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.893 7.144 6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.484 4.156 7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.937 3.335 7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -15.261 4.033 8.738 1.00 0.00 H new ATOM 348 N ASP A 24 -10.480 4.373 7.794 1.00 0.00 N ATOM 349 CA ASP A 24 -9.009 4.567 7.925 1.00 0.00 C ATOM 350 C ASP A 24 -8.273 3.403 7.254 1.00 0.00 C ATOM 351 O ASP A 24 -7.065 3.300 7.322 1.00 0.00 O ATOM 352 CB ASP A 24 -8.634 4.618 9.407 1.00 0.00 C ATOM 353 CG ASP A 24 -8.021 5.982 9.735 1.00 0.00 C ATOM 354 OD1 ASP A 24 -8.702 6.976 9.545 1.00 0.00 O ATOM 355 OD2 ASP A 24 -6.881 6.008 10.170 1.00 0.00 O ATOM 0 H ASP A 24 -10.942 3.993 8.620 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.723 5.501 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.518 4.448 10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.925 3.824 9.641 1.00 0.00 H new ATOM 360 N ASP A 25 -8.991 2.528 6.604 1.00 0.00 N ATOM 361 CA ASP A 25 -8.328 1.377 5.930 1.00 0.00 C ATOM 362 C ASP A 25 -8.261 1.638 4.423 1.00 0.00 C ATOM 363 O ASP A 25 -7.640 0.901 3.684 1.00 0.00 O ATOM 364 CB ASP A 25 -9.131 0.100 6.186 1.00 0.00 C ATOM 365 CG ASP A 25 -9.053 -0.267 7.670 1.00 0.00 C ATOM 366 OD1 ASP A 25 -9.029 0.643 8.483 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.020 -1.450 7.968 1.00 0.00 O ATOM 0 H ASP A 25 -10.006 2.561 6.511 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.320 1.259 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.170 0.247 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.740 -0.716 5.578 1.00 0.00 H new ATOM 372 N ILE A 26 -8.898 2.681 3.964 1.00 0.00 N ATOM 373 CA ILE A 26 -8.873 2.988 2.506 1.00 0.00 C ATOM 374 C ILE A 26 -7.540 3.647 2.143 1.00 0.00 C ATOM 375 O ILE A 26 -6.747 3.096 1.406 1.00 0.00 O ATOM 376 CB ILE A 26 -10.024 3.939 2.171 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.349 3.179 2.253 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.841 4.489 0.757 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.499 4.116 1.875 1.00 0.00 C ATOM 0 H ILE A 26 -9.434 3.333 4.536 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.984 2.065 1.936 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.030 4.765 2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.330 2.320 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.497 2.793 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.662 5.166 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.896 5.029 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.834 3.665 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.443 3.575 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.522 4.961 2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.352 4.481 0.858 1.00 0.00 H new ATOM 391 N ASN A 27 -7.284 4.821 2.657 1.00 0.00 N ATOM 392 CA ASN A 27 -5.999 5.511 2.340 1.00 0.00 C ATOM 393 C ASN A 27 -4.825 4.625 2.762 1.00 0.00 C ATOM 394 O ASN A 27 -3.699 4.838 2.362 1.00 0.00 O ATOM 395 CB ASN A 27 -5.931 6.840 3.095 1.00 0.00 C ATOM 396 CG ASN A 27 -4.525 7.427 2.969 1.00 0.00 C ATOM 397 OD1 ASN A 27 -3.658 7.140 3.772 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.259 8.244 1.987 1.00 0.00 N ATOM 0 H ASN A 27 -7.908 5.331 3.282 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.945 5.700 1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.665 7.537 2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.180 6.687 4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.324 8.641 1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.986 8.485 1.313 1.00 0.00 H new ATOM 405 N PHE A 28 -5.077 3.632 3.569 1.00 0.00 N ATOM 406 CA PHE A 28 -3.973 2.734 4.010 1.00 0.00 C ATOM 407 C PHE A 28 -3.513 1.885 2.818 1.00 0.00 C ATOM 408 O PHE A 28 -4.067 0.840 2.542 1.00 0.00 O ATOM 409 CB PHE A 28 -4.485 1.827 5.141 1.00 0.00 C ATOM 410 CG PHE A 28 -3.649 0.567 5.223 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.256 0.655 5.334 1.00 0.00 C ATOM 412 CD2 PHE A 28 -4.270 -0.686 5.181 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.484 -0.513 5.404 1.00 0.00 C ATOM 414 CE2 PHE A 28 -3.499 -1.853 5.249 1.00 0.00 C ATOM 415 CZ PHE A 28 -2.106 -1.767 5.361 1.00 0.00 C ATOM 0 H PHE A 28 -5.999 3.404 3.942 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.131 3.322 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.445 2.361 6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.529 1.568 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.777 1.622 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.345 -0.753 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.410 -0.446 5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.979 -2.820 5.215 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.512 -2.667 5.414 1.00 0.00 H new ATOM 425 N PHE A 29 -2.503 2.320 2.113 1.00 0.00 N ATOM 426 CA PHE A 29 -2.021 1.524 0.948 1.00 0.00 C ATOM 427 C PHE A 29 -0.531 1.213 1.115 1.00 0.00 C ATOM 428 O PHE A 29 0.222 2.039 1.590 1.00 0.00 O ATOM 429 CB PHE A 29 -2.221 2.317 -0.347 1.00 0.00 C ATOM 430 CG PHE A 29 -1.867 3.766 -0.115 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.530 4.145 0.052 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.881 4.730 -0.064 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.207 5.491 0.270 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.559 6.075 0.154 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.221 6.455 0.321 1.00 0.00 C ATOM 0 H PHE A 29 -1.994 3.186 2.292 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.589 0.595 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.597 1.902 -1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.256 2.234 -0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.252 3.401 0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.912 4.436 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.824 5.785 0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.341 6.819 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.972 7.492 0.489 1.00 0.00 H new ATOM 445 N PRO A 30 -0.150 0.031 0.704 1.00 0.00 N ATOM 446 CA PRO A 30 1.249 -0.415 0.776 1.00 0.00 C ATOM 447 C PRO A 30 2.042 0.169 -0.395 1.00 0.00 C ATOM 448 O PRO A 30 3.229 -0.043 -0.518 1.00 0.00 O ATOM 449 CB PRO A 30 1.148 -1.938 0.654 1.00 0.00 C ATOM 450 CG PRO A 30 -0.202 -2.231 -0.042 1.00 0.00 C ATOM 451 CD PRO A 30 -1.074 -0.973 0.137 1.00 0.00 C ATOM 0 HA PRO A 30 1.758 -0.100 1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.979 -2.337 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.190 -2.410 1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.053 -2.451 -1.099 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.684 -3.103 0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.491 -0.639 -0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.914 -1.163 0.805 1.00 0.00 H new ATOM 459 N CYS A 31 1.390 0.902 -1.261 1.00 0.00 N ATOM 460 CA CYS A 31 2.106 1.495 -2.425 1.00 0.00 C ATOM 461 C CYS A 31 1.548 2.891 -2.717 1.00 0.00 C ATOM 462 O CYS A 31 0.468 3.241 -2.285 1.00 0.00 O ATOM 463 CB CYS A 31 1.910 0.603 -3.650 1.00 0.00 C ATOM 464 SG CYS A 31 2.967 1.190 -4.994 1.00 0.00 S ATOM 0 H CYS A 31 0.394 1.114 -1.211 1.00 0.00 H new ATOM 0 HA CYS A 31 3.169 1.572 -2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.155 -0.430 -3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.865 0.618 -3.961 1.00 0.00 H new ATOM 0 HG CYS A 31 2.245 1.395 -6.056 1.00 0.00 H new ATOM 469 N THR A 32 2.281 3.694 -3.440 1.00 0.00 N ATOM 470 CA THR A 32 1.799 5.071 -3.752 1.00 0.00 C ATOM 471 C THR A 32 1.009 5.079 -5.065 1.00 0.00 C ATOM 472 O THR A 32 0.464 6.093 -5.457 1.00 0.00 O ATOM 473 CB THR A 32 3.000 6.010 -3.881 1.00 0.00 C ATOM 474 OG1 THR A 32 2.542 7.354 -3.936 1.00 0.00 O ATOM 475 CG2 THR A 32 3.773 5.681 -5.159 1.00 0.00 C ATOM 0 H THR A 32 3.194 3.456 -3.829 1.00 0.00 H new ATOM 0 HA THR A 32 1.146 5.406 -2.946 1.00 0.00 H new ATOM 0 HB THR A 32 3.656 5.882 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.637 7.376 -4.310 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.628 6.351 -5.250 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.123 4.649 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.120 5.808 -6.022 1.00 0.00 H new ATOM 483 N CYS A 33 0.944 3.974 -5.757 1.00 0.00 N ATOM 484 CA CYS A 33 0.188 3.958 -7.045 1.00 0.00 C ATOM 485 C CYS A 33 -1.316 3.974 -6.762 1.00 0.00 C ATOM 486 O CYS A 33 -2.119 4.224 -7.639 1.00 0.00 O ATOM 487 CB CYS A 33 0.551 2.707 -7.848 1.00 0.00 C ATOM 488 SG CYS A 33 -0.121 1.239 -7.033 1.00 0.00 S ATOM 0 H CYS A 33 1.376 3.089 -5.491 1.00 0.00 H new ATOM 0 HA CYS A 33 0.454 4.842 -7.625 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.154 2.786 -8.860 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.634 2.622 -7.936 1.00 0.00 H new ATOM 0 HG CYS A 33 0.808 0.335 -6.932 1.00 0.00 H new ATOM 493 N GLY A 34 -1.706 3.724 -5.542 1.00 0.00 N ATOM 494 CA GLY A 34 -3.159 3.743 -5.208 1.00 0.00 C ATOM 495 C GLY A 34 -3.706 2.315 -5.131 1.00 0.00 C ATOM 496 O GLY A 34 -4.901 2.100 -5.171 1.00 0.00 O ATOM 0 H GLY A 34 -1.083 3.508 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.313 4.251 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.705 4.309 -5.963 1.00 0.00 H new ATOM 500 N TYR A 35 -2.851 1.337 -5.013 1.00 0.00 N ATOM 501 CA TYR A 35 -3.343 -0.068 -4.926 1.00 0.00 C ATOM 502 C TYR A 35 -3.582 -0.426 -3.458 1.00 0.00 C ATOM 503 O TYR A 35 -3.290 -1.522 -3.022 1.00 0.00 O ATOM 504 CB TYR A 35 -2.305 -1.020 -5.523 1.00 0.00 C ATOM 505 CG TYR A 35 -3.003 -2.232 -6.091 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.044 -2.071 -7.014 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.612 -3.517 -5.695 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.694 -3.193 -7.540 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.262 -4.641 -6.222 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.303 -4.478 -7.145 1.00 0.00 C ATOM 511 OH TYR A 35 -4.944 -5.584 -7.665 1.00 0.00 O ATOM 0 H TYR A 35 -1.838 1.448 -4.973 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.274 -0.162 -5.484 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.738 -0.514 -6.304 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.591 -1.324 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.345 -1.080 -7.320 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.809 -3.642 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.497 -3.068 -8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.961 -5.632 -5.917 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.550 -6.398 -7.287 1.00 0.00 H new ATOM 521 N GLN A 36 -4.098 0.498 -2.693 1.00 0.00 N ATOM 522 CA GLN A 36 -4.349 0.227 -1.242 1.00 0.00 C ATOM 523 C GLN A 36 -4.892 -1.189 -1.059 1.00 0.00 C ATOM 524 O GLN A 36 -5.613 -1.706 -1.888 1.00 0.00 O ATOM 525 CB GLN A 36 -5.371 1.220 -0.652 1.00 0.00 C ATOM 526 CG GLN A 36 -5.988 2.093 -1.749 1.00 0.00 C ATOM 527 CD GLN A 36 -7.083 2.974 -1.146 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.115 2.483 -0.733 1.00 0.00 O ATOM 529 NE2 GLN A 36 -6.900 4.264 -1.074 1.00 0.00 N ATOM 0 H GLN A 36 -4.358 1.432 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.399 0.341 -0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.158 0.672 -0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.882 1.853 0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.219 2.714 -2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.405 1.465 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.034 4.676 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.623 4.860 -0.671 1.00 0.00 H new ATOM 538 N ILE A 37 -4.557 -1.814 0.037 1.00 0.00 N ATOM 539 CA ILE A 37 -5.055 -3.190 0.300 1.00 0.00 C ATOM 540 C ILE A 37 -5.614 -3.248 1.724 1.00 0.00 C ATOM 541 O ILE A 37 -5.747 -2.237 2.385 1.00 0.00 O ATOM 542 CB ILE A 37 -3.908 -4.192 0.147 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.949 -4.068 1.332 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.148 -3.902 -1.147 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.903 -5.182 1.254 1.00 0.00 C ATOM 0 H ILE A 37 -3.956 -1.426 0.764 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.840 -3.444 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.317 -5.202 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.461 -3.093 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.500 -4.136 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.331 -4.615 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.826 -3.994 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.744 -2.890 -1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.217 -5.097 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.401 -6.151 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.345 -5.092 0.322 1.00 0.00 H new ATOM 557 N CYS A 38 -5.945 -4.413 2.206 1.00 0.00 N ATOM 558 CA CYS A 38 -6.495 -4.510 3.586 1.00 0.00 C ATOM 559 C CYS A 38 -5.349 -4.733 4.578 1.00 0.00 C ATOM 560 O CYS A 38 -4.188 -4.654 4.224 1.00 0.00 O ATOM 561 CB CYS A 38 -7.502 -5.664 3.661 1.00 0.00 C ATOM 562 SG CYS A 38 -6.631 -7.248 3.645 1.00 0.00 S ATOM 0 H CYS A 38 -5.859 -5.298 1.707 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.008 -3.583 3.843 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.100 -5.578 4.569 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.192 -5.611 2.819 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.256 -8.079 2.864 1.00 0.00 H new ATOM 567 N ARG A 39 -5.660 -5.003 5.815 1.00 0.00 N ATOM 568 CA ARG A 39 -4.583 -5.219 6.827 1.00 0.00 C ATOM 569 C ARG A 39 -4.140 -6.683 6.812 1.00 0.00 C ATOM 570 O ARG A 39 -2.993 -6.997 7.060 1.00 0.00 O ATOM 571 CB ARG A 39 -5.117 -4.870 8.218 1.00 0.00 C ATOM 572 CG ARG A 39 -4.853 -3.392 8.511 1.00 0.00 C ATOM 573 CD ARG A 39 -6.178 -2.686 8.804 1.00 0.00 C ATOM 574 NE ARG A 39 -6.016 -1.797 9.990 1.00 0.00 N ATOM 575 CZ ARG A 39 -4.920 -1.103 10.139 1.00 0.00 C ATOM 576 NH1 ARG A 39 -4.080 -1.405 11.089 1.00 0.00 N ATOM 577 NH2 ARG A 39 -4.666 -0.108 9.335 1.00 0.00 N ATOM 0 H ARG A 39 -6.612 -5.084 6.171 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.732 -4.582 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.186 -5.077 8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.634 -5.493 8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.180 -3.294 9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.360 -2.924 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.490 -2.102 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.960 -3.421 8.992 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.760 -1.731 10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.279 -2.184 11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.224 -0.862 11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.323 0.127 8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.810 0.435 9.450 1.00 0.00 H new ATOM 591 N PHE A 40 -5.041 -7.581 6.535 1.00 0.00 N ATOM 592 CA PHE A 40 -4.675 -9.024 6.517 1.00 0.00 C ATOM 593 C PHE A 40 -3.812 -9.334 5.290 1.00 0.00 C ATOM 594 O PHE A 40 -3.161 -10.357 5.221 1.00 0.00 O ATOM 595 CB PHE A 40 -5.954 -9.863 6.474 1.00 0.00 C ATOM 596 CG PHE A 40 -5.995 -10.771 7.678 1.00 0.00 C ATOM 597 CD1 PHE A 40 -6.241 -10.239 8.949 1.00 0.00 C ATOM 598 CD2 PHE A 40 -5.781 -12.144 7.523 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.275 -11.083 10.066 1.00 0.00 C ATOM 600 CE2 PHE A 40 -5.812 -12.989 8.639 1.00 0.00 C ATOM 601 CZ PHE A 40 -6.060 -12.458 9.911 1.00 0.00 C ATOM 0 H PHE A 40 -6.017 -7.378 6.320 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.105 -9.264 7.415 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.829 -9.213 6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.985 -10.453 5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.405 -9.178 9.068 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.592 -12.553 6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.467 -10.674 11.047 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.645 -14.049 8.519 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.085 -13.109 10.772 1.00 0.00 H new ATOM 611 N CYS A 41 -3.794 -8.458 4.323 1.00 0.00 N ATOM 612 CA CYS A 41 -2.967 -8.704 3.107 1.00 0.00 C ATOM 613 C CYS A 41 -1.579 -8.094 3.308 1.00 0.00 C ATOM 614 O CYS A 41 -0.569 -8.738 3.099 1.00 0.00 O ATOM 615 CB CYS A 41 -3.642 -8.065 1.890 1.00 0.00 C ATOM 616 SG CYS A 41 -4.809 -9.241 1.156 1.00 0.00 S ATOM 0 H CYS A 41 -4.316 -7.582 4.322 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.871 -9.777 2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.165 -7.156 2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.891 -7.775 1.155 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.782 -8.591 0.590 1.00 0.00 H new ATOM 621 N TRP A 42 -1.522 -6.854 3.712 1.00 0.00 N ATOM 622 CA TRP A 42 -0.202 -6.194 3.930 1.00 0.00 C ATOM 623 C TRP A 42 0.522 -6.872 5.093 1.00 0.00 C ATOM 624 O TRP A 42 1.724 -6.773 5.233 1.00 0.00 O ATOM 625 CB TRP A 42 -0.425 -4.717 4.267 1.00 0.00 C ATOM 626 CG TRP A 42 0.889 -4.057 4.538 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.811 -3.744 3.599 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.441 -3.624 5.814 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.893 -3.144 4.219 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.712 -3.048 5.585 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.965 -3.676 7.137 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.485 -2.539 6.631 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.739 -3.165 8.191 1.00 0.00 C ATOM 634 CH2 TRP A 42 2.996 -2.597 7.939 1.00 0.00 C ATOM 0 H TRP A 42 -2.335 -6.268 3.901 1.00 0.00 H new ATOM 0 HA TRP A 42 0.401 -6.279 3.026 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.930 -4.218 3.440 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.074 -4.627 5.138 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.718 -3.932 2.539 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.723 -2.813 3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.002 -4.112 7.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.453 -2.104 6.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.364 -3.210 9.203 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.585 -2.205 8.755 1.00 0.00 H new ATOM 645 N HIS A 43 -0.204 -7.558 5.933 1.00 0.00 N ATOM 646 CA HIS A 43 0.436 -8.239 7.092 1.00 0.00 C ATOM 647 C HIS A 43 1.181 -9.487 6.613 1.00 0.00 C ATOM 648 O HIS A 43 2.074 -9.979 7.274 1.00 0.00 O ATOM 649 CB HIS A 43 -0.645 -8.648 8.095 1.00 0.00 C ATOM 650 CG HIS A 43 -0.657 -7.679 9.246 1.00 0.00 C ATOM 651 ND1 HIS A 43 -0.984 -8.068 10.536 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.386 -6.335 9.317 1.00 0.00 C ATOM 653 CE1 HIS A 43 -0.902 -6.977 11.321 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.540 -5.895 10.628 1.00 0.00 N ATOM 0 H HIS A 43 -1.215 -7.676 5.866 1.00 0.00 H new ATOM 0 HA HIS A 43 1.143 -7.558 7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.620 -8.663 7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.455 -9.658 8.458 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.097 -5.714 8.482 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.104 -6.977 12.382 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.405 -4.948 10.983 1.00 0.00 H new ATOM 662 N ARG A 44 0.818 -10.008 5.472 1.00 0.00 N ATOM 663 CA ARG A 44 1.504 -11.228 4.961 1.00 0.00 C ATOM 664 C ARG A 44 2.447 -10.854 3.815 1.00 0.00 C ATOM 665 O ARG A 44 3.348 -11.594 3.477 1.00 0.00 O ATOM 666 CB ARG A 44 0.458 -12.225 4.457 1.00 0.00 C ATOM 667 CG ARG A 44 0.441 -13.450 5.372 1.00 0.00 C ATOM 668 CD ARG A 44 -0.955 -14.070 5.373 1.00 0.00 C ATOM 669 NE ARG A 44 -1.054 -15.066 6.477 1.00 0.00 N ATOM 670 CZ ARG A 44 -0.436 -16.211 6.377 1.00 0.00 C ATOM 671 NH1 ARG A 44 -0.669 -16.992 5.358 1.00 0.00 N ATOM 672 NH2 ARG A 44 0.418 -16.573 7.295 1.00 0.00 N ATOM 0 H ARG A 44 0.078 -9.642 4.873 1.00 0.00 H new ATOM 0 HA ARG A 44 2.083 -11.679 5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.527 -11.758 4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.688 -12.524 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.174 -14.181 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.723 -13.164 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.709 -13.294 5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.152 -14.552 4.415 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.604 -14.853 7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.334 -16.708 4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.186 -17.887 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.602 -15.961 8.090 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.901 -17.468 7.217 1.00 0.00 H new ATOM 686 N ILE A 45 2.249 -9.714 3.213 1.00 0.00 N ATOM 687 CA ILE A 45 3.141 -9.305 2.091 1.00 0.00 C ATOM 688 C ILE A 45 4.503 -8.889 2.650 1.00 0.00 C ATOM 689 O ILE A 45 5.537 -9.231 2.112 1.00 0.00 O ATOM 690 CB ILE A 45 2.509 -8.129 1.343 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.318 -8.633 0.525 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.543 -7.504 0.405 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.325 -7.491 0.309 1.00 0.00 C ATOM 0 H ILE A 45 1.511 -9.050 3.448 1.00 0.00 H new ATOM 0 HA ILE A 45 3.273 -10.141 1.404 1.00 0.00 H new ATOM 0 HB ILE A 45 2.171 -7.380 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.660 -9.017 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.831 -9.459 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.092 -6.667 -0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.394 -7.149 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.881 -8.251 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.523 -7.851 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.027 -7.127 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.815 -6.679 -0.228 1.00 0.00 H new ATOM 705 N ARG A 46 4.511 -8.158 3.731 1.00 0.00 N ATOM 706 CA ARG A 46 5.805 -7.724 4.328 1.00 0.00 C ATOM 707 C ARG A 46 6.276 -8.773 5.337 1.00 0.00 C ATOM 708 O ARG A 46 6.933 -8.460 6.310 1.00 0.00 O ATOM 709 CB ARG A 46 5.612 -6.385 5.041 1.00 0.00 C ATOM 710 CG ARG A 46 6.560 -5.343 4.444 1.00 0.00 C ATOM 711 CD ARG A 46 6.553 -4.088 5.320 1.00 0.00 C ATOM 712 NE ARG A 46 7.847 -3.986 6.052 1.00 0.00 N ATOM 713 CZ ARG A 46 7.854 -3.852 7.349 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.101 -2.949 7.917 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.612 -4.622 8.081 1.00 0.00 N ATOM 0 H ARG A 46 3.677 -7.843 4.226 1.00 0.00 H new ATOM 0 HA ARG A 46 6.551 -7.614 3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.579 -6.053 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.806 -6.498 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.570 -5.749 4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.251 -5.093 3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.401 -3.202 4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.725 -4.130 6.028 1.00 0.00 H new ATOM 0 HE ARG A 46 8.728 -4.021 5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.507 -2.348 7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.107 -2.845 8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.199 -5.329 7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.617 -4.517 9.096 1.00 0.00 H new ATOM 729 N THR A 47 5.945 -10.015 5.116 1.00 0.00 N ATOM 730 CA THR A 47 6.372 -11.081 6.066 1.00 0.00 C ATOM 731 C THR A 47 6.784 -12.332 5.285 1.00 0.00 C ATOM 732 O THR A 47 7.730 -13.010 5.634 1.00 0.00 O ATOM 733 CB THR A 47 5.208 -11.427 6.998 1.00 0.00 C ATOM 734 OG1 THR A 47 4.487 -10.243 7.313 1.00 0.00 O ATOM 735 CG2 THR A 47 5.750 -12.054 8.284 1.00 0.00 C ATOM 0 H THR A 47 5.397 -10.338 4.319 1.00 0.00 H new ATOM 0 HA THR A 47 7.219 -10.724 6.652 1.00 0.00 H new ATOM 0 HB THR A 47 4.544 -12.136 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.527 -10.405 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.920 -12.300 8.947 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.302 -12.962 8.041 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.414 -11.347 8.781 1.00 0.00 H new ATOM 743 N ASP A 48 6.077 -12.644 4.235 1.00 0.00 N ATOM 744 CA ASP A 48 6.422 -13.853 3.434 1.00 0.00 C ATOM 745 C ASP A 48 6.717 -13.444 1.991 1.00 0.00 C ATOM 746 O ASP A 48 7.292 -14.194 1.229 1.00 0.00 O ATOM 747 CB ASP A 48 5.244 -14.830 3.457 1.00 0.00 C ATOM 748 CG ASP A 48 5.713 -16.208 2.984 1.00 0.00 C ATOM 749 OD1 ASP A 48 6.111 -16.315 1.836 1.00 0.00 O ATOM 750 OD2 ASP A 48 5.666 -17.132 3.779 1.00 0.00 O ATOM 0 H ASP A 48 5.274 -12.114 3.896 1.00 0.00 H new ATOM 0 HA ASP A 48 7.303 -14.333 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.835 -14.900 4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.443 -14.466 2.813 1.00 0.00 H new ATOM 755 N GLU A 49 6.328 -12.259 1.608 1.00 0.00 N ATOM 756 CA GLU A 49 6.589 -11.804 0.214 1.00 0.00 C ATOM 757 C GLU A 49 7.766 -10.826 0.213 1.00 0.00 C ATOM 758 O GLU A 49 8.536 -10.769 1.150 1.00 0.00 O ATOM 759 CB GLU A 49 5.341 -11.109 -0.339 1.00 0.00 C ATOM 760 CG GLU A 49 4.937 -11.765 -1.662 1.00 0.00 C ATOM 761 CD GLU A 49 3.420 -11.962 -1.692 1.00 0.00 C ATOM 762 OE1 GLU A 49 2.722 -11.115 -1.160 1.00 0.00 O ATOM 763 OE2 GLU A 49 2.983 -12.956 -2.247 1.00 0.00 O ATOM 0 H GLU A 49 5.841 -11.587 2.200 1.00 0.00 H new ATOM 0 HA GLU A 49 6.830 -12.663 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.524 -11.180 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.540 -10.048 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.250 -11.142 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.441 -12.725 -1.773 1.00 0.00 H new ATOM 770 N ASN A 50 7.916 -10.058 -0.831 1.00 0.00 N ATOM 771 CA ASN A 50 9.048 -9.091 -0.885 1.00 0.00 C ATOM 772 C ASN A 50 8.535 -7.683 -0.574 1.00 0.00 C ATOM 773 O ASN A 50 9.205 -6.700 -0.822 1.00 0.00 O ATOM 774 CB ASN A 50 9.670 -9.110 -2.282 1.00 0.00 C ATOM 775 CG ASN A 50 8.565 -9.233 -3.332 1.00 0.00 C ATOM 776 OD1 ASN A 50 7.495 -8.678 -3.172 1.00 0.00 O ATOM 777 ND2 ASN A 50 8.778 -9.942 -4.405 1.00 0.00 N ATOM 0 H ASN A 50 7.305 -10.058 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 50 9.800 -9.373 -0.148 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.244 -8.198 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.365 -9.945 -2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.047 -10.031 -5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.676 -10.407 -4.539 1.00 0.00 H new ATOM 784 N GLY A 51 7.353 -7.577 -0.036 1.00 0.00 N ATOM 785 CA GLY A 51 6.803 -6.230 0.287 1.00 0.00 C ATOM 786 C GLY A 51 6.756 -5.384 -0.984 1.00 0.00 C ATOM 787 O GLY A 51 6.966 -4.188 -0.955 1.00 0.00 O ATOM 0 H GLY A 51 6.744 -8.362 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.803 -6.325 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.423 -5.742 1.039 1.00 0.00 H new ATOM 791 N LEU A 52 6.487 -5.995 -2.107 1.00 0.00 N ATOM 792 CA LEU A 52 6.433 -5.222 -3.379 1.00 0.00 C ATOM 793 C LEU A 52 4.975 -5.000 -3.789 1.00 0.00 C ATOM 794 O LEU A 52 4.065 -5.594 -3.245 1.00 0.00 O ATOM 795 CB LEU A 52 7.156 -6.001 -4.482 1.00 0.00 C ATOM 796 CG LEU A 52 8.661 -6.034 -4.204 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.400 -6.462 -5.473 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.143 -4.643 -3.786 1.00 0.00 C ATOM 0 H LEU A 52 6.303 -6.994 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 52 6.919 -4.257 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.766 -7.017 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.967 -5.536 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 52 8.862 -6.742 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.472 -6.487 -5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.063 -7.454 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.192 -5.751 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.215 -4.673 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.941 -3.932 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.617 -4.332 -2.883 1.00 0.00 H new ATOM 810 N CYS A 53 4.754 -4.147 -4.750 1.00 0.00 N ATOM 811 CA CYS A 53 3.359 -3.876 -5.209 1.00 0.00 C ATOM 812 C CYS A 53 2.999 -4.843 -6.344 1.00 0.00 C ATOM 813 O CYS A 53 3.629 -4.830 -7.382 1.00 0.00 O ATOM 814 CB CYS A 53 3.266 -2.438 -5.721 1.00 0.00 C ATOM 815 SG CYS A 53 1.552 -2.052 -6.151 1.00 0.00 S ATOM 0 H CYS A 53 5.480 -3.624 -5.240 1.00 0.00 H new ATOM 0 HA CYS A 53 2.667 -4.015 -4.378 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.624 -1.747 -4.958 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.907 -2.310 -6.593 1.00 0.00 H new ATOM 0 HG CYS A 53 0.942 -1.567 -5.110 1.00 0.00 H new ATOM 820 N PRO A 54 1.994 -5.654 -6.118 1.00 0.00 N ATOM 821 CA PRO A 54 1.533 -6.635 -7.115 1.00 0.00 C ATOM 822 C PRO A 54 0.655 -5.950 -8.167 1.00 0.00 C ATOM 823 O PRO A 54 0.056 -6.596 -9.004 1.00 0.00 O ATOM 824 CB PRO A 54 0.708 -7.625 -6.287 1.00 0.00 C ATOM 825 CG PRO A 54 0.267 -6.865 -5.013 1.00 0.00 C ATOM 826 CD PRO A 54 1.228 -5.673 -4.855 1.00 0.00 C ATOM 0 HA PRO A 54 2.349 -7.112 -7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.157 -7.976 -6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.299 -8.504 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.764 -6.522 -5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.310 -7.516 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.684 -4.740 -4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.884 -5.802 -3.994 1.00 0.00 H new ATOM 834 N ALA A 55 0.564 -4.649 -8.124 1.00 0.00 N ATOM 835 CA ALA A 55 -0.287 -3.931 -9.115 1.00 0.00 C ATOM 836 C ALA A 55 0.582 -3.033 -10.000 1.00 0.00 C ATOM 837 O ALA A 55 0.253 -2.771 -11.139 1.00 0.00 O ATOM 838 CB ALA A 55 -1.314 -3.073 -8.374 1.00 0.00 C ATOM 0 H ALA A 55 1.041 -4.053 -7.447 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.799 -4.661 -9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.938 -2.547 -9.097 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.940 -3.712 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.797 -2.348 -7.745 1.00 0.00 H new ATOM 844 N CYS A 56 1.683 -2.551 -9.489 1.00 0.00 N ATOM 845 CA CYS A 56 2.549 -1.665 -10.318 1.00 0.00 C ATOM 846 C CYS A 56 4.028 -1.989 -10.066 1.00 0.00 C ATOM 847 O CYS A 56 4.907 -1.237 -10.437 1.00 0.00 O ATOM 848 CB CYS A 56 2.250 -0.195 -9.969 1.00 0.00 C ATOM 849 SG CYS A 56 3.252 0.355 -8.557 1.00 0.00 S ATOM 0 H CYS A 56 2.018 -2.730 -8.542 1.00 0.00 H new ATOM 0 HA CYS A 56 2.339 -1.831 -11.375 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.455 0.437 -10.833 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.192 -0.081 -9.735 1.00 0.00 H new ATOM 0 HG CYS A 56 2.906 -0.309 -7.494 1.00 0.00 H new ATOM 854 N ARG A 57 4.311 -3.095 -9.433 1.00 0.00 N ATOM 855 CA ARG A 57 5.735 -3.445 -9.159 1.00 0.00 C ATOM 856 C ARG A 57 6.433 -2.237 -8.533 1.00 0.00 C ATOM 857 O ARG A 57 7.125 -1.491 -9.198 1.00 0.00 O ATOM 858 CB ARG A 57 6.431 -3.819 -10.470 1.00 0.00 C ATOM 859 CG ARG A 57 5.571 -4.829 -11.237 1.00 0.00 C ATOM 860 CD ARG A 57 5.428 -6.109 -10.411 1.00 0.00 C ATOM 861 NE ARG A 57 5.239 -7.272 -11.324 1.00 0.00 N ATOM 862 CZ ARG A 57 4.645 -8.352 -10.891 1.00 0.00 C ATOM 863 NH1 ARG A 57 5.042 -8.915 -9.783 1.00 0.00 N ATOM 864 NH2 ARG A 57 3.655 -8.868 -11.568 1.00 0.00 N ATOM 0 H ARG A 57 3.623 -3.768 -9.095 1.00 0.00 H new ATOM 0 HA ARG A 57 5.782 -4.292 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.591 -2.927 -11.076 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.413 -4.244 -10.264 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.588 -4.404 -11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.028 -5.054 -12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.315 -6.257 -9.795 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.579 -6.024 -9.733 1.00 0.00 H new ATOM 0 HE ARG A 57 5.573 -7.225 -12.286 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.816 -8.512 -9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.578 -9.758 -9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.346 -8.428 -12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.191 -9.711 -11.230 1.00 0.00 H new ATOM 878 N LYS A 58 6.251 -2.035 -7.257 1.00 0.00 N ATOM 879 CA LYS A 58 6.895 -0.874 -6.579 1.00 0.00 C ATOM 880 C LYS A 58 7.175 -1.242 -5.122 1.00 0.00 C ATOM 881 O LYS A 58 6.443 -2.002 -4.526 1.00 0.00 O ATOM 882 CB LYS A 58 5.952 0.331 -6.627 1.00 0.00 C ATOM 883 CG LYS A 58 6.191 1.117 -7.917 1.00 0.00 C ATOM 884 CD LYS A 58 7.552 1.813 -7.849 1.00 0.00 C ATOM 885 CE LYS A 58 7.724 2.722 -9.067 1.00 0.00 C ATOM 886 NZ LYS A 58 9.022 3.447 -8.967 1.00 0.00 N ATOM 0 H LYS A 58 5.681 -2.627 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 58 7.828 -0.623 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.916 -0.003 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.120 0.972 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.157 0.446 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.401 1.854 -8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.627 2.398 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.350 1.071 -7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.695 2.131 -9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.901 3.434 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.139 4.065 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.032 4.023 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.802 2.760 -8.935 1.00 0.00 H new ATOM 900 N PRO A 59 8.230 -0.696 -4.584 1.00 0.00 N ATOM 901 CA PRO A 59 8.625 -0.968 -3.196 1.00 0.00 C ATOM 902 C PRO A 59 7.718 -0.212 -2.220 1.00 0.00 C ATOM 903 O PRO A 59 7.636 1.000 -2.243 1.00 0.00 O ATOM 904 CB PRO A 59 10.067 -0.457 -3.124 1.00 0.00 C ATOM 905 CG PRO A 59 10.223 0.566 -4.275 1.00 0.00 C ATOM 906 CD PRO A 59 9.118 0.242 -5.301 1.00 0.00 C ATOM 0 HA PRO A 59 8.541 -2.020 -2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.266 0.010 -2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.776 -1.277 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.121 1.586 -3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.210 0.490 -4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.584 1.141 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.531 -0.209 -6.203 1.00 0.00 H new ATOM 914 N TYR A 60 7.035 -0.924 -1.366 1.00 0.00 N ATOM 915 CA TYR A 60 6.129 -0.257 -0.389 1.00 0.00 C ATOM 916 C TYR A 60 6.853 0.919 0.272 1.00 0.00 C ATOM 917 O TYR A 60 8.063 0.917 0.383 1.00 0.00 O ATOM 918 CB TYR A 60 5.701 -1.265 0.683 1.00 0.00 C ATOM 919 CG TYR A 60 4.749 -2.286 0.092 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.405 -2.237 -1.267 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.207 -3.285 0.911 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.523 -3.183 -1.802 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.324 -4.231 0.374 1.00 0.00 C ATOM 924 CZ TYR A 60 2.984 -4.179 -0.982 1.00 0.00 C ATOM 925 OH TYR A 60 2.114 -5.112 -1.510 1.00 0.00 O ATOM 0 H TYR A 60 7.066 -1.942 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 60 5.248 0.114 -0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.578 -1.768 1.090 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.219 -0.744 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.821 -1.468 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.470 -3.326 1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.259 -3.144 -2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.906 -5.000 1.007 1.00 0.00 H new ATOM 0 HH TYR A 60 2.610 -5.736 -2.081 1.00 0.00 H new ATOM 935 N PRO A 61 6.081 1.895 0.689 1.00 0.00 N ATOM 936 CA PRO A 61 6.613 3.102 1.343 1.00 0.00 C ATOM 937 C PRO A 61 6.953 2.820 2.809 1.00 0.00 C ATOM 938 O PRO A 61 6.182 2.225 3.535 1.00 0.00 O ATOM 939 CB PRO A 61 5.460 4.104 1.238 1.00 0.00 C ATOM 940 CG PRO A 61 4.170 3.269 1.055 1.00 0.00 C ATOM 941 CD PRO A 61 4.610 1.884 0.544 1.00 0.00 C ATOM 0 HA PRO A 61 7.534 3.463 0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.399 4.721 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.608 4.779 0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.629 3.180 1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.496 3.748 0.345 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.158 1.082 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.313 1.729 -0.493 1.00 0.00 H new