USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 378 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 35 CYS SG : rot 108:sc= -1.35! USER MOD Set 1.2: A 37 CYS SG : rot 180:sc= 0.32 USER MOD Set 1.3: A 42 HIS : no HD1:sc= -3.15! C(o=-3.9!,f=-16!) USER MOD Set 1.4: A 61 CYS SG : rot 128:sc= 0.848 USER MOD Set 1.5: A 64 CYS SG : rot -62:sc= -0.561 USER MOD Set 2.1: A 18 CYS SG : rot 139:sc= 1.2 USER MOD Set 2.2: A 21 CYS SG : rot -69:sc= -0.35 USER MOD Set 2.3: A 23 CYS SG : rot 180:sc= 0 USER MOD Set 2.4: A 45 HIS : no HE2:sc= -3.41 X(o=-3.2,f=-3.6) USER MOD Set 2.5: A 48 CYS SG : rot 180:sc= -0.67 USER MOD Single : A 22 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-4.6!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.459 K(o=-0.46,f=-2.9!) USER MOD Single : A 51 GLN : amide:sc= -0.537 K(o=-0.54,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 87:sc= 0.256 USER MOD Single : A 56 SER OG : rot -168:sc= 0.577 USER MOD Single : A 58 THR OG1 : rot 80:sc= 1.31 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= 1.31 (180deg=1.13) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ASP A 16 -9.797 -9.108 -6.471 1.00 0.00 N ATOM 178 CA ASP A 16 -8.682 -8.223 -6.153 1.00 0.00 C ATOM 179 C ASP A 16 -9.036 -6.772 -6.461 1.00 0.00 C ATOM 180 O ASP A 16 -9.217 -6.400 -7.621 1.00 0.00 O ATOM 181 CB ASP A 16 -7.436 -8.635 -6.938 1.00 0.00 C ATOM 182 CG ASP A 16 -7.320 -10.139 -7.093 1.00 0.00 C ATOM 183 OD1 ASP A 16 -7.295 -10.842 -6.061 1.00 0.00 O ATOM 184 OD2 ASP A 16 -7.256 -10.613 -8.246 1.00 0.00 O ATOM 0 HA ASP A 16 -8.474 -8.309 -5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.462 -8.172 -7.924 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.549 -8.255 -6.431 1.00 0.00 H new ATOM 189 N ILE A 17 -9.133 -5.957 -5.416 1.00 0.00 N ATOM 190 CA ILE A 17 -9.465 -4.547 -5.576 1.00 0.00 C ATOM 191 C ILE A 17 -8.662 -3.680 -4.612 1.00 0.00 C ATOM 192 O ILE A 17 -8.093 -4.177 -3.640 1.00 0.00 O ATOM 193 CB ILE A 17 -10.967 -4.292 -5.347 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.441 -5.010 -4.081 1.00 0.00 C ATOM 195 CG2 ILE A 17 -11.772 -4.750 -6.555 1.00 0.00 C ATOM 196 CD1 ILE A 17 -11.459 -4.123 -2.856 1.00 0.00 C ATOM 0 H ILE A 17 -8.986 -6.249 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.211 -4.278 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.123 -3.221 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.443 -5.404 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.791 -5.864 -3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.831 -4.563 -6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.449 -4.199 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.613 -5.816 -6.715 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.805 -4.697 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.453 -3.750 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.132 -3.282 -3.025 1.00 0.00 H new ATOM 208 N CYS A 18 -8.621 -2.381 -4.887 1.00 0.00 N ATOM 209 CA CYS A 18 -7.888 -1.443 -4.045 1.00 0.00 C ATOM 210 C CYS A 18 -8.025 -1.815 -2.571 1.00 0.00 C ATOM 211 O CYS A 18 -8.965 -2.507 -2.180 1.00 0.00 O ATOM 212 CB CYS A 18 -8.396 -0.018 -4.272 1.00 0.00 C ATOM 213 SG CYS A 18 -7.292 1.277 -3.622 1.00 0.00 S ATOM 0 H CYS A 18 -9.087 -1.953 -5.687 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.834 -1.494 -4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.535 0.141 -5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.375 0.086 -3.805 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.231 2.261 -4.470 1.00 0.00 H new ATOM 218 N ARG A 19 -7.080 -1.351 -1.760 1.00 0.00 N ATOM 219 CA ARG A 19 -7.094 -1.635 -0.330 1.00 0.00 C ATOM 220 C ARG A 19 -7.281 -0.353 0.477 1.00 0.00 C ATOM 221 O ARG A 19 -7.667 -0.395 1.646 1.00 0.00 O ATOM 222 CB ARG A 19 -5.795 -2.328 0.087 1.00 0.00 C ATOM 223 CG ARG A 19 -4.650 -1.365 0.353 1.00 0.00 C ATOM 224 CD ARG A 19 -3.478 -2.066 1.023 1.00 0.00 C ATOM 225 NE ARG A 19 -2.687 -1.150 1.840 1.00 0.00 N ATOM 226 CZ ARG A 19 -3.079 -0.696 3.025 1.00 0.00 C ATOM 227 NH1 ARG A 19 -4.246 -1.072 3.530 1.00 0.00 N ATOM 228 NH2 ARG A 19 -2.303 0.136 3.709 1.00 0.00 N ATOM 0 H ARG A 19 -6.295 -0.777 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.934 -2.299 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.979 -2.917 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.498 -3.026 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.321 -0.920 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.998 -0.550 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.850 -2.879 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.841 -2.515 0.261 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.783 -0.842 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.845 -1.712 3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.544 -0.722 4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.404 0.428 3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.605 0.484 4.619 1.00 0.00 H new ATOM 242 N ILE A 20 -7.004 0.783 -0.153 1.00 0.00 N ATOM 243 CA ILE A 20 -7.142 2.075 0.506 1.00 0.00 C ATOM 244 C ILE A 20 -8.566 2.606 0.382 1.00 0.00 C ATOM 245 O ILE A 20 -9.100 3.206 1.316 1.00 0.00 O ATOM 246 CB ILE A 20 -6.166 3.113 -0.080 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.719 2.671 0.148 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.412 4.480 0.541 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.706 3.515 -0.593 1.00 0.00 C ATOM 0 H ILE A 20 -6.682 0.835 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.905 1.919 1.559 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.338 3.186 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.500 2.708 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.612 1.632 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.715 5.203 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.434 4.796 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.263 4.422 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.702 3.145 -0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.899 3.458 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.786 4.551 -0.264 1.00 0.00 H new ATOM 261 N CYS A 21 -9.177 2.380 -0.776 1.00 0.00 N ATOM 262 CA CYS A 21 -10.541 2.834 -1.022 1.00 0.00 C ATOM 263 C CYS A 21 -11.489 1.648 -1.176 1.00 0.00 C ATOM 264 O CYS A 21 -12.671 1.737 -0.841 1.00 0.00 O ATOM 265 CB CYS A 21 -10.590 3.706 -2.278 1.00 0.00 C ATOM 266 SG CYS A 21 -10.395 2.781 -3.835 1.00 0.00 S ATOM 0 H CYS A 21 -8.749 1.885 -1.559 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.862 3.425 -0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.541 4.238 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.805 4.459 -2.215 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.176 2.338 -3.927 1.00 0.00 H new ATOM 271 N HIS A 22 -10.963 0.538 -1.684 1.00 0.00 N ATOM 272 CA HIS A 22 -11.762 -0.666 -1.881 1.00 0.00 C ATOM 273 C HIS A 22 -12.697 -0.508 -3.076 1.00 0.00 C ATOM 274 O HIS A 22 -13.884 -0.827 -2.995 1.00 0.00 O ATOM 275 CB HIS A 22 -12.573 -0.977 -0.622 1.00 0.00 C ATOM 276 CG HIS A 22 -11.829 -0.710 0.650 1.00 0.00 C ATOM 277 ND1 HIS A 22 -12.001 0.437 1.395 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.908 -1.451 1.310 1.00 0.00 C ATOM 279 CE1 HIS A 22 -11.216 0.392 2.457 1.00 0.00 C ATOM 280 NE2 HIS A 22 -10.543 -0.744 2.429 1.00 0.00 N ATOM 0 H HIS A 22 -9.987 0.447 -1.967 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.082 -1.495 -2.081 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -13.486 -0.381 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.875 -2.024 -0.644 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -12.635 1.201 1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.531 -2.418 1.012 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.138 1.154 3.218 1.00 0.00 H new ATOM 288 N CYS A 23 -12.155 -0.014 -4.184 1.00 0.00 N ATOM 289 CA CYS A 23 -12.941 0.188 -5.396 1.00 0.00 C ATOM 290 C CYS A 23 -12.324 -0.558 -6.574 1.00 0.00 C ATOM 291 O CYS A 23 -11.158 -0.949 -6.531 1.00 0.00 O ATOM 292 CB CYS A 23 -13.045 1.679 -5.718 1.00 0.00 C ATOM 293 SG CYS A 23 -14.056 2.618 -4.550 1.00 0.00 S ATOM 0 H CYS A 23 -11.174 0.254 -4.268 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.941 -0.209 -5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.042 2.106 -5.739 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.462 1.795 -6.718 1.00 0.00 H new ATOM 0 HG CYS A 23 -14.081 3.868 -4.905 1.00 0.00 H new ATOM 299 N GLU A 24 -13.116 -0.753 -7.625 1.00 0.00 N ATOM 300 CA GLU A 24 -12.647 -1.455 -8.814 1.00 0.00 C ATOM 301 C GLU A 24 -11.462 -0.727 -9.443 1.00 0.00 C ATOM 302 O GLU A 24 -11.359 0.496 -9.366 1.00 0.00 O ATOM 303 CB GLU A 24 -13.779 -1.587 -9.834 1.00 0.00 C ATOM 304 CG GLU A 24 -14.594 -2.860 -9.678 1.00 0.00 C ATOM 305 CD GLU A 24 -15.288 -3.270 -10.962 1.00 0.00 C ATOM 306 OE1 GLU A 24 -14.635 -3.232 -12.026 1.00 0.00 O ATOM 307 OE2 GLU A 24 -16.482 -3.629 -10.903 1.00 0.00 O ATOM 0 H GLU A 24 -14.084 -0.435 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.321 -2.451 -8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.443 -0.727 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.357 -1.557 -10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.940 -3.668 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.340 -2.716 -8.896 1.00 0.00 H new ATOM 314 N GLY A 25 -10.570 -1.490 -10.067 1.00 0.00 N ATOM 315 CA GLY A 25 -9.404 -0.902 -10.700 1.00 0.00 C ATOM 316 C GLY A 25 -9.765 -0.041 -11.894 1.00 0.00 C ATOM 317 O GLY A 25 -10.423 -0.505 -12.826 1.00 0.00 O ATOM 0 H GLY A 25 -10.634 -2.505 -10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.864 -0.298 -9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.729 -1.696 -11.019 1.00 0.00 H new ATOM 321 N ASP A 26 -9.336 1.216 -11.867 1.00 0.00 N ATOM 322 CA ASP A 26 -9.619 2.144 -12.955 1.00 0.00 C ATOM 323 C ASP A 26 -8.591 2.000 -14.073 1.00 0.00 C ATOM 324 O ASP A 26 -7.498 1.474 -13.861 1.00 0.00 O ATOM 325 CB ASP A 26 -9.630 3.583 -12.437 1.00 0.00 C ATOM 326 CG ASP A 26 -10.720 3.821 -11.411 1.00 0.00 C ATOM 327 OD1 ASP A 26 -11.790 3.186 -11.523 1.00 0.00 O ATOM 328 OD2 ASP A 26 -10.503 4.641 -10.495 1.00 0.00 O ATOM 0 H ASP A 26 -8.791 1.616 -11.103 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.603 1.904 -13.358 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.661 3.814 -11.994 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.768 4.267 -13.275 1.00 0.00 H new ATOM 333 N ASP A 27 -8.949 2.470 -15.263 1.00 0.00 N ATOM 334 CA ASP A 27 -8.057 2.394 -16.414 1.00 0.00 C ATOM 335 C ASP A 27 -6.752 3.136 -16.141 1.00 0.00 C ATOM 336 O ASP A 27 -5.671 2.653 -16.477 1.00 0.00 O ATOM 337 CB ASP A 27 -8.739 2.976 -17.654 1.00 0.00 C ATOM 338 CG ASP A 27 -7.776 3.168 -18.808 1.00 0.00 C ATOM 339 OD1 ASP A 27 -7.240 2.157 -19.308 1.00 0.00 O ATOM 340 OD2 ASP A 27 -7.557 4.330 -19.211 1.00 0.00 O ATOM 0 H ASP A 27 -9.850 2.907 -15.456 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.826 1.344 -16.594 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.547 2.314 -17.965 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.192 3.934 -17.400 1.00 0.00 H new ATOM 345 N GLU A 28 -6.862 4.312 -15.531 1.00 0.00 N ATOM 346 CA GLU A 28 -5.690 5.120 -15.215 1.00 0.00 C ATOM 347 C GLU A 28 -5.159 4.788 -13.824 1.00 0.00 C ATOM 348 O GLU A 28 -3.966 4.927 -13.553 1.00 0.00 O ATOM 349 CB GLU A 28 -6.032 6.609 -15.301 1.00 0.00 C ATOM 350 CG GLU A 28 -6.131 7.129 -16.725 1.00 0.00 C ATOM 351 CD GLU A 28 -6.620 8.564 -16.789 1.00 0.00 C ATOM 352 OE1 GLU A 28 -7.461 8.941 -15.947 1.00 0.00 O ATOM 353 OE2 GLU A 28 -6.162 9.308 -17.681 1.00 0.00 O ATOM 0 H GLU A 28 -7.750 4.726 -15.246 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.914 4.890 -15.945 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.979 6.786 -14.792 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.272 7.179 -14.767 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.153 7.061 -17.202 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.808 6.492 -17.294 1.00 0.00 H new ATOM 360 N SER A 29 -6.054 4.350 -12.944 1.00 0.00 N ATOM 361 CA SER A 29 -5.678 4.002 -11.579 1.00 0.00 C ATOM 362 C SER A 29 -5.984 2.536 -11.287 1.00 0.00 C ATOM 363 O SER A 29 -6.659 2.198 -10.315 1.00 0.00 O ATOM 364 CB SER A 29 -6.415 4.897 -10.581 1.00 0.00 C ATOM 365 OG SER A 29 -5.985 6.243 -10.688 1.00 0.00 O ATOM 0 H SER A 29 -7.045 4.228 -13.152 1.00 0.00 H new ATOM 0 HA SER A 29 -4.604 4.159 -11.473 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.489 4.840 -10.760 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.242 4.536 -9.567 1.00 0.00 H new ATOM 0 HG SER A 29 -6.472 6.795 -10.041 1.00 0.00 H new ATOM 371 N PRO A 30 -5.476 1.644 -12.150 1.00 0.00 N ATOM 372 CA PRO A 30 -5.681 0.199 -12.007 1.00 0.00 C ATOM 373 C PRO A 30 -4.927 -0.378 -10.815 1.00 0.00 C ATOM 374 O PRO A 30 -4.127 0.311 -10.180 1.00 0.00 O ATOM 375 CB PRO A 30 -5.127 -0.369 -13.317 1.00 0.00 C ATOM 376 CG PRO A 30 -4.133 0.641 -13.777 1.00 0.00 C ATOM 377 CD PRO A 30 -4.663 1.976 -13.332 1.00 0.00 C ATOM 0 HA PRO A 30 -6.727 -0.049 -11.828 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.660 -1.341 -13.161 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.918 -0.510 -14.053 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.151 0.447 -13.345 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.017 0.609 -14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.856 2.666 -13.084 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.261 2.451 -14.110 1.00 0.00 H new ATOM 385 N LEU A 31 -5.186 -1.646 -10.515 1.00 0.00 N ATOM 386 CA LEU A 31 -4.530 -2.317 -9.397 1.00 0.00 C ATOM 387 C LEU A 31 -3.126 -2.771 -9.783 1.00 0.00 C ATOM 388 O LEU A 31 -2.951 -3.815 -10.411 1.00 0.00 O ATOM 389 CB LEU A 31 -5.359 -3.518 -8.940 1.00 0.00 C ATOM 390 CG LEU A 31 -6.836 -3.244 -8.655 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.586 -4.548 -8.427 1.00 0.00 C ATOM 392 CD2 LEU A 31 -6.986 -2.323 -7.453 1.00 0.00 C ATOM 0 H LEU A 31 -5.845 -2.230 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.449 -1.606 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.295 -4.291 -9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.905 -3.925 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.268 -2.747 -9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.636 -4.334 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.508 -5.173 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.153 -5.073 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.044 -2.139 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.538 -2.792 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.484 -1.377 -7.655 1.00 0.00 H new ATOM 404 N ILE A 32 -2.128 -1.981 -9.401 1.00 0.00 N ATOM 405 CA ILE A 32 -0.739 -2.304 -9.704 1.00 0.00 C ATOM 406 C ILE A 32 0.044 -2.609 -8.432 1.00 0.00 C ATOM 407 O ILE A 32 -0.293 -2.127 -7.350 1.00 0.00 O ATOM 408 CB ILE A 32 -0.045 -1.154 -10.457 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.255 0.169 -9.718 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.572 -1.060 -11.881 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.759 1.231 -10.081 1.00 0.00 C ATOM 0 H ILE A 32 -2.255 -1.113 -8.881 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.752 -3.188 -10.341 1.00 0.00 H new ATOM 0 HB ILE A 32 1.025 -1.360 -10.498 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.255 0.543 -9.937 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.210 -0.013 -8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.072 -0.243 -12.401 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.376 -1.996 -12.404 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.646 -0.874 -11.860 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.549 2.141 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.760 0.877 -9.837 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.699 1.441 -11.149 1.00 0.00 H new ATOM 423 N THR A 33 1.094 -3.413 -8.568 1.00 0.00 N ATOM 424 CA THR A 33 1.927 -3.782 -7.431 1.00 0.00 C ATOM 425 C THR A 33 2.912 -2.671 -7.087 1.00 0.00 C ATOM 426 O THR A 33 3.848 -2.384 -7.834 1.00 0.00 O ATOM 427 CB THR A 33 2.710 -5.080 -7.706 1.00 0.00 C ATOM 428 OG1 THR A 33 1.824 -6.093 -8.195 1.00 0.00 O ATOM 429 CG2 THR A 33 3.403 -5.572 -6.444 1.00 0.00 C ATOM 0 H THR A 33 1.388 -3.821 -9.455 1.00 0.00 H new ATOM 0 HA THR A 33 1.256 -3.943 -6.587 1.00 0.00 H new ATOM 0 HB THR A 33 3.469 -4.867 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.330 -6.914 -8.369 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.949 -6.489 -6.663 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.099 -4.811 -6.091 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.658 -5.769 -5.673 1.00 0.00 H new ATOM 437 N PRO A 34 2.700 -2.029 -5.928 1.00 0.00 N ATOM 438 CA PRO A 34 3.561 -0.940 -5.458 1.00 0.00 C ATOM 439 C PRO A 34 4.945 -1.430 -5.046 1.00 0.00 C ATOM 440 O PRO A 34 5.952 -0.776 -5.316 1.00 0.00 O ATOM 441 CB PRO A 34 2.806 -0.389 -4.246 1.00 0.00 C ATOM 442 CG PRO A 34 1.981 -1.532 -3.763 1.00 0.00 C ATOM 443 CD PRO A 34 1.605 -2.318 -4.988 1.00 0.00 C ATOM 0 HA PRO A 34 3.743 -0.200 -6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.494 -0.043 -3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.182 0.461 -4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.542 -2.149 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.093 -1.178 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.530 -3.384 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.640 -2.004 -5.386 1.00 0.00 H new ATOM 451 N CYS A 35 4.987 -2.586 -4.392 1.00 0.00 N ATOM 452 CA CYS A 35 6.248 -3.165 -3.943 1.00 0.00 C ATOM 453 C CYS A 35 6.188 -4.689 -3.975 1.00 0.00 C ATOM 454 O CYS A 35 5.175 -5.274 -4.360 1.00 0.00 O ATOM 455 CB CYS A 35 6.577 -2.686 -2.528 1.00 0.00 C ATOM 456 SG CYS A 35 5.362 -3.194 -1.269 1.00 0.00 S ATOM 0 H CYS A 35 4.163 -3.140 -4.161 1.00 0.00 H new ATOM 0 HA CYS A 35 7.034 -2.836 -4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.558 -3.068 -2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.647 -1.598 -2.531 1.00 0.00 H new ATOM 0 HG CYS A 35 5.880 -4.117 -0.514 1.00 0.00 H new ATOM 461 N HIS A 36 7.280 -5.328 -3.567 1.00 0.00 N ATOM 462 CA HIS A 36 7.352 -6.784 -3.548 1.00 0.00 C ATOM 463 C HIS A 36 6.159 -7.378 -2.804 1.00 0.00 C ATOM 464 O HIS A 36 5.534 -8.330 -3.272 1.00 0.00 O ATOM 465 CB HIS A 36 8.656 -7.243 -2.893 1.00 0.00 C ATOM 466 CG HIS A 36 9.877 -6.915 -3.696 1.00 0.00 C ATOM 467 ND1 HIS A 36 10.534 -7.842 -4.478 1.00 0.00 N ATOM 468 CD2 HIS A 36 10.559 -5.755 -3.836 1.00 0.00 C ATOM 469 CE1 HIS A 36 11.569 -7.265 -5.063 1.00 0.00 C ATOM 470 NE2 HIS A 36 11.606 -5.999 -4.691 1.00 0.00 N ATOM 0 H HIS A 36 8.127 -4.860 -3.245 1.00 0.00 H new ATOM 0 HA HIS A 36 7.328 -7.137 -4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.742 -6.780 -1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.614 -8.321 -2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.324 -4.813 -3.364 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.266 -7.747 -5.732 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.299 -5.313 -4.990 1.00 0.00 H new ATOM 478 N CYS A 37 5.849 -6.809 -1.644 1.00 0.00 N ATOM 479 CA CYS A 37 4.733 -7.281 -0.835 1.00 0.00 C ATOM 480 C CYS A 37 3.603 -7.804 -1.718 1.00 0.00 C ATOM 481 O CYS A 37 2.854 -7.028 -2.312 1.00 0.00 O ATOM 482 CB CYS A 37 4.214 -6.156 0.063 1.00 0.00 C ATOM 483 SG CYS A 37 5.372 -5.660 1.378 1.00 0.00 S ATOM 0 H CYS A 37 6.356 -6.020 -1.243 1.00 0.00 H new ATOM 0 HA CYS A 37 5.091 -8.099 -0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.989 -5.287 -0.555 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.277 -6.473 0.520 1.00 0.00 H new ATOM 0 HG CYS A 37 4.845 -4.703 2.082 1.00 0.00 H new ATOM 520 N LEU A 41 -4.548 -7.627 -0.423 1.00 0.00 N ATOM 521 CA LEU A 41 -5.174 -6.491 -1.090 1.00 0.00 C ATOM 522 C LEU A 41 -4.143 -5.418 -1.423 1.00 0.00 C ATOM 523 O LEU A 41 -4.467 -4.397 -2.030 1.00 0.00 O ATOM 524 CB LEU A 41 -6.275 -5.899 -0.207 1.00 0.00 C ATOM 525 CG LEU A 41 -7.466 -6.813 0.083 1.00 0.00 C ATOM 526 CD1 LEU A 41 -8.068 -7.332 -1.214 1.00 0.00 C ATOM 527 CD2 LEU A 41 -7.047 -7.969 0.979 1.00 0.00 C ATOM 0 HA LEU A 41 -5.615 -6.847 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.831 -5.602 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.646 -4.991 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.226 -6.232 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.914 -7.981 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.406 -6.492 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.315 -7.896 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.908 -8.608 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.269 -8.550 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.664 -7.578 1.922 1.00 0.00 H new ATOM 539 N HIS A 42 -2.898 -5.657 -1.024 1.00 0.00 N ATOM 540 CA HIS A 42 -1.817 -4.712 -1.283 1.00 0.00 C ATOM 541 C HIS A 42 -2.083 -3.918 -2.558 1.00 0.00 C ATOM 542 O HIS A 42 -1.815 -2.718 -2.622 1.00 0.00 O ATOM 543 CB HIS A 42 -0.482 -5.450 -1.397 1.00 0.00 C ATOM 544 CG HIS A 42 0.697 -4.620 -0.992 1.00 0.00 C ATOM 545 ND1 HIS A 42 1.062 -4.423 0.323 1.00 0.00 N ATOM 546 CD2 HIS A 42 1.597 -3.937 -1.737 1.00 0.00 C ATOM 547 CE1 HIS A 42 2.135 -3.653 0.369 1.00 0.00 C ATOM 548 NE2 HIS A 42 2.479 -3.345 -0.868 1.00 0.00 N ATOM 0 H HIS A 42 -2.612 -6.497 -0.520 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.768 -4.016 -0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.517 -6.345 -0.776 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.346 -5.782 -2.426 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.617 -3.870 -2.815 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.644 -3.331 1.265 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.272 -2.761 -1.135 1.00 0.00 H new ATOM 556 N PHE A 43 -2.611 -4.596 -3.572 1.00 0.00 N ATOM 557 CA PHE A 43 -2.912 -3.955 -4.847 1.00 0.00 C ATOM 558 C PHE A 43 -3.668 -2.647 -4.632 1.00 0.00 C ATOM 559 O PHE A 43 -4.881 -2.646 -4.422 1.00 0.00 O ATOM 560 CB PHE A 43 -3.734 -4.893 -5.733 1.00 0.00 C ATOM 561 CG PHE A 43 -3.467 -6.349 -5.474 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.177 -6.852 -5.541 1.00 0.00 C ATOM 563 CD2 PHE A 43 -4.504 -7.213 -5.165 1.00 0.00 C ATOM 564 CE1 PHE A 43 -1.929 -8.191 -5.304 1.00 0.00 C ATOM 565 CE2 PHE A 43 -4.262 -8.553 -4.927 1.00 0.00 C ATOM 566 CZ PHE A 43 -2.973 -9.042 -4.996 1.00 0.00 C ATOM 0 H PHE A 43 -2.839 -5.589 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.968 -3.732 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.794 -4.693 -5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.520 -4.673 -6.779 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.357 -6.191 -5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.514 -6.835 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.920 -8.572 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.080 -9.216 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.781 -10.088 -4.810 1.00 0.00 H new ATOM 576 N VAL A 44 -2.942 -1.535 -4.687 1.00 0.00 N ATOM 577 CA VAL A 44 -3.544 -0.220 -4.500 1.00 0.00 C ATOM 578 C VAL A 44 -3.651 0.529 -5.824 1.00 0.00 C ATOM 579 O VAL A 44 -3.073 0.118 -6.830 1.00 0.00 O ATOM 580 CB VAL A 44 -2.732 0.632 -3.506 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.373 -0.184 -2.273 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.481 1.183 -4.174 1.00 0.00 C ATOM 0 H VAL A 44 -1.937 -1.518 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.543 -0.384 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.347 1.474 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.800 0.434 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.286 -0.525 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.776 -1.047 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.920 1.782 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.860 0.357 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.766 1.805 -5.023 1.00 0.00 H new ATOM 592 N HIS A 45 -4.395 1.631 -5.815 1.00 0.00 N ATOM 593 CA HIS A 45 -4.578 2.439 -7.016 1.00 0.00 C ATOM 594 C HIS A 45 -3.424 3.421 -7.190 1.00 0.00 C ATOM 595 O HIS A 45 -3.105 4.185 -6.280 1.00 0.00 O ATOM 596 CB HIS A 45 -5.904 3.197 -6.948 1.00 0.00 C ATOM 597 CG HIS A 45 -7.101 2.336 -7.211 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.388 2.721 -6.899 1.00 0.00 N ATOM 599 CD2 HIS A 45 -7.201 1.104 -7.762 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.228 1.762 -7.245 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.533 0.769 -7.771 1.00 0.00 N ATOM 0 H HIS A 45 -4.880 1.985 -4.990 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.595 1.770 -7.876 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.003 3.651 -5.962 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.886 4.010 -7.673 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.650 3.608 -6.468 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.385 0.497 -8.127 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.300 1.786 -7.119 1.00 0.00 H new ATOM 609 N GLN A 46 -2.803 3.394 -8.365 1.00 0.00 N ATOM 610 CA GLN A 46 -1.684 4.282 -8.657 1.00 0.00 C ATOM 611 C GLN A 46 -1.894 5.652 -8.019 1.00 0.00 C ATOM 612 O GLN A 46 -0.950 6.273 -7.534 1.00 0.00 O ATOM 613 CB GLN A 46 -1.505 4.432 -10.169 1.00 0.00 C ATOM 614 CG GLN A 46 -0.430 5.434 -10.558 1.00 0.00 C ATOM 615 CD GLN A 46 -0.474 5.794 -12.030 1.00 0.00 C ATOM 616 OE1 GLN A 46 -1.244 6.659 -12.447 1.00 0.00 O ATOM 617 NE2 GLN A 46 0.356 5.131 -12.827 1.00 0.00 N ATOM 0 H GLN A 46 -3.056 2.768 -9.129 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.782 3.839 -8.234 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.255 3.460 -10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.453 4.739 -10.610 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.550 6.339 -9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.550 5.022 -10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.978 4.422 -12.439 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.372 5.331 -13.827 1.00 0.00 H new ATOM 626 N ALA A 47 -3.139 6.116 -8.025 1.00 0.00 N ATOM 627 CA ALA A 47 -3.474 7.411 -7.446 1.00 0.00 C ATOM 628 C ALA A 47 -3.551 7.329 -5.925 1.00 0.00 C ATOM 629 O ALA A 47 -2.754 7.947 -5.219 1.00 0.00 O ATOM 630 CB ALA A 47 -4.790 7.920 -8.016 1.00 0.00 C ATOM 0 H ALA A 47 -3.932 5.614 -8.424 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.682 8.113 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.028 8.888 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.701 8.026 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.585 7.211 -7.785 1.00 0.00 H new ATOM 636 N CYS A 48 -4.516 6.564 -5.427 1.00 0.00 N ATOM 637 CA CYS A 48 -4.698 6.401 -3.989 1.00 0.00 C ATOM 638 C CYS A 48 -3.352 6.335 -3.274 1.00 0.00 C ATOM 639 O CYS A 48 -3.137 7.013 -2.268 1.00 0.00 O ATOM 640 CB CYS A 48 -5.507 5.136 -3.696 1.00 0.00 C ATOM 641 SG CYS A 48 -7.262 5.249 -4.169 1.00 0.00 S ATOM 0 H CYS A 48 -5.185 6.047 -5.998 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.245 7.268 -3.617 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.053 4.297 -4.223 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.443 4.915 -2.631 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.861 4.131 -3.884 1.00 0.00 H new ATOM 646 N LEU A 49 -2.449 5.515 -3.800 1.00 0.00 N ATOM 647 CA LEU A 49 -1.122 5.360 -3.213 1.00 0.00 C ATOM 648 C LEU A 49 -0.572 6.705 -2.749 1.00 0.00 C ATOM 649 O LEU A 49 -0.091 6.834 -1.624 1.00 0.00 O ATOM 650 CB LEU A 49 -0.166 4.726 -4.225 1.00 0.00 C ATOM 651 CG LEU A 49 1.296 4.617 -3.790 1.00 0.00 C ATOM 652 CD1 LEU A 49 1.440 3.624 -2.648 1.00 0.00 C ATOM 653 CD2 LEU A 49 2.173 4.213 -4.966 1.00 0.00 C ATOM 0 H LEU A 49 -2.611 4.947 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.209 4.705 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.530 3.726 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.208 5.306 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 49 1.625 5.594 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.487 3.560 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.842 3.957 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.094 2.643 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.210 4.140 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.845 3.247 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.093 4.962 -5.754 1.00 0.00 H new ATOM 665 N GLN A 50 -0.647 7.703 -3.624 1.00 0.00 N ATOM 666 CA GLN A 50 -0.157 9.038 -3.302 1.00 0.00 C ATOM 667 C GLN A 50 -0.707 9.511 -1.961 1.00 0.00 C ATOM 668 O GLN A 50 0.053 9.842 -1.051 1.00 0.00 O ATOM 669 CB GLN A 50 -0.546 10.026 -4.404 1.00 0.00 C ATOM 670 CG GLN A 50 -0.111 9.590 -5.793 1.00 0.00 C ATOM 671 CD GLN A 50 -1.043 10.088 -6.880 1.00 0.00 C ATOM 672 OE1 GLN A 50 -2.110 10.634 -6.596 1.00 0.00 O ATOM 673 NE2 GLN A 50 -0.645 9.903 -8.133 1.00 0.00 N ATOM 0 H GLN A 50 -1.042 7.612 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 50 0.930 8.992 -3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.628 10.159 -4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.104 10.997 -4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.896 9.959 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.065 8.502 -5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.247 9.446 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.231 10.218 -8.906 1.00 0.00 H new ATOM 682 N GLN A 51 -2.031 9.541 -1.847 1.00 0.00 N ATOM 683 CA GLN A 51 -2.681 9.975 -0.616 1.00 0.00 C ATOM 684 C GLN A 51 -2.047 9.308 0.600 1.00 0.00 C ATOM 685 O GLN A 51 -1.847 9.944 1.635 1.00 0.00 O ATOM 686 CB GLN A 51 -4.176 9.656 -0.665 1.00 0.00 C ATOM 687 CG GLN A 51 -4.994 10.687 -1.427 1.00 0.00 C ATOM 688 CD GLN A 51 -6.462 10.320 -1.514 1.00 0.00 C ATOM 689 OE1 GLN A 51 -7.330 11.074 -1.072 1.00 0.00 O ATOM 690 NE2 GLN A 51 -6.748 9.156 -2.086 1.00 0.00 N ATOM 0 H GLN A 51 -2.674 9.270 -2.591 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.548 11.053 -0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.316 8.679 -1.128 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.557 9.583 0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.894 11.657 -0.939 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.590 10.794 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.997 8.563 -2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.719 8.855 -2.173 1.00 0.00 H new ATOM 699 N TRP A 52 -1.732 8.025 0.467 1.00 0.00 N ATOM 700 CA TRP A 52 -1.120 7.271 1.556 1.00 0.00 C ATOM 701 C TRP A 52 0.315 7.727 1.794 1.00 0.00 C ATOM 702 O TRP A 52 0.740 7.899 2.937 1.00 0.00 O ATOM 703 CB TRP A 52 -1.148 5.774 1.246 1.00 0.00 C ATOM 704 CG TRP A 52 -0.387 4.948 2.239 1.00 0.00 C ATOM 705 CD1 TRP A 52 -0.905 4.249 3.291 1.00 0.00 C ATOM 706 CD2 TRP A 52 1.028 4.736 2.272 1.00 0.00 C ATOM 707 NE1 TRP A 52 0.103 3.616 3.977 1.00 0.00 N ATOM 708 CE2 TRP A 52 1.299 3.898 3.371 1.00 0.00 C ATOM 709 CE3 TRP A 52 2.094 5.172 1.479 1.00 0.00 C ATOM 710 CZ2 TRP A 52 2.590 3.490 3.696 1.00 0.00 C ATOM 711 CZ3 TRP A 52 3.374 4.766 1.802 1.00 0.00 C ATOM 712 CH2 TRP A 52 3.614 3.931 2.902 1.00 0.00 C ATOM 0 H TRP A 52 -1.890 7.485 -0.384 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.696 7.458 2.463 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.184 5.435 1.220 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.733 5.608 0.252 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.953 4.201 3.546 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.019 3.031 4.804 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.919 5.815 0.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.777 2.848 4.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.204 5.098 1.196 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.626 3.630 3.127 1.00 0.00 H new ATOM 723 N ILE A 53 1.057 7.921 0.709 1.00 0.00 N ATOM 724 CA ILE A 53 2.445 8.359 0.801 1.00 0.00 C ATOM 725 C ILE A 53 2.565 9.634 1.628 1.00 0.00 C ATOM 726 O ILE A 53 3.342 9.698 2.582 1.00 0.00 O ATOM 727 CB ILE A 53 3.051 8.605 -0.593 1.00 0.00 C ATOM 728 CG1 ILE A 53 3.386 7.275 -1.270 1.00 0.00 C ATOM 729 CG2 ILE A 53 4.293 9.477 -0.483 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.748 7.415 -2.732 1.00 0.00 C ATOM 0 H ILE A 53 0.721 7.782 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 53 2.997 7.558 1.292 1.00 0.00 H new ATOM 0 HB ILE A 53 2.316 9.127 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.217 6.807 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.531 6.605 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.711 9.642 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.026 10.435 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.033 8.979 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.973 6.432 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.910 7.854 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.622 8.059 -2.830 1.00 0.00 H new ATOM 742 N LYS A 54 1.790 10.648 1.258 1.00 0.00 N ATOM 743 CA LYS A 54 1.806 11.922 1.967 1.00 0.00 C ATOM 744 C LYS A 54 1.358 11.746 3.414 1.00 0.00 C ATOM 745 O LYS A 54 2.000 12.245 4.338 1.00 0.00 O ATOM 746 CB LYS A 54 0.900 12.933 1.261 1.00 0.00 C ATOM 747 CG LYS A 54 1.252 13.150 -0.200 1.00 0.00 C ATOM 748 CD LYS A 54 0.463 14.301 -0.800 1.00 0.00 C ATOM 749 CE LYS A 54 0.955 15.644 -0.281 1.00 0.00 C ATOM 750 NZ LYS A 54 0.138 16.774 -0.804 1.00 0.00 N ATOM 0 H LYS A 54 1.143 10.612 0.471 1.00 0.00 H new ATOM 0 HA LYS A 54 2.830 12.297 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.133 12.592 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.957 13.887 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.319 13.353 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.051 12.238 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.549 14.276 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.594 14.183 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.923 15.646 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.997 15.785 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.505 17.671 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.189 16.788 -1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.852 16.653 -0.508 1.00 0.00 H new ATOM 764 N SER A 55 0.253 11.032 3.604 1.00 0.00 N ATOM 765 CA SER A 55 -0.282 10.791 4.939 1.00 0.00 C ATOM 766 C SER A 55 0.808 10.282 5.877 1.00 0.00 C ATOM 767 O SER A 55 1.128 10.920 6.880 1.00 0.00 O ATOM 768 CB SER A 55 -1.430 9.782 4.877 1.00 0.00 C ATOM 769 OG SER A 55 -2.640 10.409 4.491 1.00 0.00 O ATOM 0 H SER A 55 -0.289 10.610 2.850 1.00 0.00 H new ATOM 0 HA SER A 55 -0.660 11.736 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.185 8.991 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.556 9.310 5.851 1.00 0.00 H new ATOM 0 HG SER A 55 -2.702 10.426 3.513 1.00 0.00 H new ATOM 775 N SER A 56 1.375 9.127 5.544 1.00 0.00 N ATOM 776 CA SER A 56 2.426 8.528 6.358 1.00 0.00 C ATOM 777 C SER A 56 3.786 9.130 6.017 1.00 0.00 C ATOM 778 O SER A 56 4.828 8.566 6.350 1.00 0.00 O ATOM 779 CB SER A 56 2.461 7.013 6.151 1.00 0.00 C ATOM 780 OG SER A 56 2.399 6.685 4.774 1.00 0.00 O ATOM 0 H SER A 56 1.124 8.587 4.716 1.00 0.00 H new ATOM 0 HA SER A 56 2.205 8.739 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.374 6.605 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.625 6.552 6.676 1.00 0.00 H new ATOM 0 HG SER A 56 2.227 5.725 4.674 1.00 0.00 H new ATOM 786 N ASP A 57 3.767 10.279 5.350 1.00 0.00 N ATOM 787 CA ASP A 57 4.998 10.959 4.964 1.00 0.00 C ATOM 788 C ASP A 57 6.092 9.952 4.625 1.00 0.00 C ATOM 789 O ASP A 57 7.254 10.135 4.991 1.00 0.00 O ATOM 790 CB ASP A 57 5.468 11.885 6.087 1.00 0.00 C ATOM 791 CG ASP A 57 5.982 11.119 7.291 1.00 0.00 C ATOM 792 OD1 ASP A 57 5.161 10.768 8.164 1.00 0.00 O ATOM 793 OD2 ASP A 57 7.204 10.872 7.360 1.00 0.00 O ATOM 0 H ASP A 57 2.913 10.759 5.066 1.00 0.00 H new ATOM 0 HA ASP A 57 4.791 11.555 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.257 12.537 5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.643 12.528 6.394 1.00 0.00 H new ATOM 798 N THR A 58 5.714 8.887 3.925 1.00 0.00 N ATOM 799 CA THR A 58 6.662 7.850 3.539 1.00 0.00 C ATOM 800 C THR A 58 6.456 7.429 2.089 1.00 0.00 C ATOM 801 O THR A 58 5.396 6.917 1.726 1.00 0.00 O ATOM 802 CB THR A 58 6.538 6.610 4.445 1.00 0.00 C ATOM 803 OG1 THR A 58 6.818 6.966 5.803 1.00 0.00 O ATOM 804 CG2 THR A 58 7.492 5.514 3.995 1.00 0.00 C ATOM 0 H THR A 58 4.757 8.720 3.614 1.00 0.00 H new ATOM 0 HA THR A 58 7.659 8.275 3.652 1.00 0.00 H new ATOM 0 HB THR A 58 5.518 6.234 4.372 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.028 7.389 6.200 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.387 4.649 4.649 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.257 5.225 2.971 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.517 5.882 4.042 1.00 0.00 H new ATOM 812 N ARG A 59 7.475 7.646 1.264 1.00 0.00 N ATOM 813 CA ARG A 59 7.404 7.289 -0.148 1.00 0.00 C ATOM 814 C ARG A 59 7.602 5.788 -0.339 1.00 0.00 C ATOM 815 O ARG A 59 6.946 5.167 -1.177 1.00 0.00 O ATOM 816 CB ARG A 59 8.460 8.059 -0.944 1.00 0.00 C ATOM 817 CG ARG A 59 8.360 9.567 -0.787 1.00 0.00 C ATOM 818 CD ARG A 59 8.888 10.291 -2.016 1.00 0.00 C ATOM 819 NE ARG A 59 10.334 10.145 -2.158 1.00 0.00 N ATOM 820 CZ ARG A 59 11.020 10.600 -3.201 1.00 0.00 C ATOM 821 NH1 ARG A 59 10.394 11.225 -4.188 1.00 0.00 N ATOM 822 NH2 ARG A 59 12.334 10.429 -3.257 1.00 0.00 N ATOM 0 H ARG A 59 8.359 8.067 1.549 1.00 0.00 H new ATOM 0 HA ARG A 59 6.414 7.558 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.451 7.734 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.364 7.805 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.321 9.848 -0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.924 9.881 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.395 9.901 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.635 11.349 -1.950 1.00 0.00 H new ATOM 0 HE ARG A 59 10.845 9.668 -1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.383 11.358 -4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.923 11.573 -4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.818 9.948 -2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.860 10.778 -4.058 1.00 0.00 H new ATOM 836 N CYS A 60 8.509 5.212 0.441 1.00 0.00 N ATOM 837 CA CYS A 60 8.795 3.784 0.357 1.00 0.00 C ATOM 838 C CYS A 60 7.873 2.990 1.277 1.00 0.00 C ATOM 839 O CYS A 60 7.103 3.564 2.048 1.00 0.00 O ATOM 840 CB CYS A 60 10.255 3.512 0.719 1.00 0.00 C ATOM 841 SG CYS A 60 11.442 4.537 -0.180 1.00 0.00 S ATOM 0 H CYS A 60 9.060 5.712 1.139 1.00 0.00 H new ATOM 0 HA CYS A 60 8.618 3.463 -0.670 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.389 3.673 1.789 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.477 2.463 0.525 1.00 0.00 H new ATOM 0 HG CYS A 60 12.649 4.235 0.197 1.00 0.00 H new ATOM 847 N CYS A 61 7.956 1.666 1.191 1.00 0.00 N ATOM 848 CA CYS A 61 7.129 0.792 2.013 1.00 0.00 C ATOM 849 C CYS A 61 7.465 0.959 3.492 1.00 0.00 C ATOM 850 O CYS A 61 8.455 1.599 3.845 1.00 0.00 O ATOM 851 CB CYS A 61 7.321 -0.667 1.597 1.00 0.00 C ATOM 852 SG CYS A 61 6.022 -1.791 2.204 1.00 0.00 S ATOM 0 H CYS A 61 8.589 1.175 0.559 1.00 0.00 H new ATOM 0 HA CYS A 61 6.086 1.071 1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.355 -0.722 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.287 -1.014 1.964 1.00 0.00 H new ATOM 0 HG CYS A 61 5.539 -2.474 1.209 1.00 0.00 H new ATOM 857 N GLU A 62 6.633 0.379 4.352 1.00 0.00 N ATOM 858 CA GLU A 62 6.843 0.465 5.793 1.00 0.00 C ATOM 859 C GLU A 62 7.596 -0.759 6.306 1.00 0.00 C ATOM 860 O GLU A 62 8.288 -0.694 7.323 1.00 0.00 O ATOM 861 CB GLU A 62 5.502 0.593 6.518 1.00 0.00 C ATOM 862 CG GLU A 62 4.384 -0.213 5.879 1.00 0.00 C ATOM 863 CD GLU A 62 3.089 -0.142 6.666 1.00 0.00 C ATOM 864 OE1 GLU A 62 2.292 0.785 6.413 1.00 0.00 O ATOM 865 OE2 GLU A 62 2.874 -1.014 7.534 1.00 0.00 O ATOM 0 H GLU A 62 5.809 -0.155 4.076 1.00 0.00 H new ATOM 0 HA GLU A 62 7.444 1.351 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.626 0.271 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.212 1.643 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.210 0.153 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.695 -1.254 5.792 1.00 0.00 H new ATOM 872 N LEU A 63 7.457 -1.873 5.597 1.00 0.00 N ATOM 873 CA LEU A 63 8.124 -3.113 5.980 1.00 0.00 C ATOM 874 C LEU A 63 9.341 -3.371 5.098 1.00 0.00 C ATOM 875 O LEU A 63 10.477 -3.366 5.573 1.00 0.00 O ATOM 876 CB LEU A 63 7.151 -4.289 5.883 1.00 0.00 C ATOM 877 CG LEU A 63 5.873 -4.174 6.715 1.00 0.00 C ATOM 878 CD1 LEU A 63 4.760 -5.011 6.103 1.00 0.00 C ATOM 879 CD2 LEU A 63 6.133 -4.597 8.153 1.00 0.00 C ATOM 0 H LEU A 63 6.888 -1.944 4.753 1.00 0.00 H new ATOM 0 HA LEU A 63 8.461 -3.012 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.870 -4.416 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.677 -5.195 6.184 1.00 0.00 H new ATOM 0 HG LEU A 63 5.556 -3.131 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.859 -4.917 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.556 -4.661 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.067 -6.056 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.213 -4.509 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.475 -5.632 8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.898 -3.954 8.589 1.00 0.00 H new ATOM 891 N CYS A 64 9.097 -3.596 3.811 1.00 0.00 N ATOM 892 CA CYS A 64 10.172 -3.854 2.862 1.00 0.00 C ATOM 893 C CYS A 64 10.855 -2.554 2.446 1.00 0.00 C ATOM 894 O CYS A 64 11.872 -2.568 1.753 1.00 0.00 O ATOM 895 CB CYS A 64 9.628 -4.576 1.627 1.00 0.00 C ATOM 896 SG CYS A 64 8.646 -3.514 0.519 1.00 0.00 S ATOM 0 H CYS A 64 8.163 -3.605 3.402 1.00 0.00 H new ATOM 0 HA CYS A 64 10.910 -4.490 3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.464 -4.994 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.011 -5.414 1.951 1.00 0.00 H new ATOM 0 HG CYS A 64 7.601 -3.073 1.154 1.00 0.00 H new ATOM 901 N LYS A 65 10.287 -1.432 2.874 1.00 0.00 N ATOM 902 CA LYS A 65 10.840 -0.122 2.548 1.00 0.00 C ATOM 903 C LYS A 65 11.231 -0.047 1.075 1.00 0.00 C ATOM 904 O LYS A 65 12.336 0.377 0.737 1.00 0.00 O ATOM 905 CB LYS A 65 12.059 0.172 3.425 1.00 0.00 C ATOM 906 CG LYS A 65 11.704 0.543 4.855 1.00 0.00 C ATOM 907 CD LYS A 65 11.234 -0.667 5.645 1.00 0.00 C ATOM 908 CE LYS A 65 11.549 -0.523 7.126 1.00 0.00 C ATOM 909 NZ LYS A 65 10.713 -1.429 7.961 1.00 0.00 N ATOM 0 H LYS A 65 9.444 -1.403 3.447 1.00 0.00 H new ATOM 0 HA LYS A 65 10.072 0.627 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.708 -0.704 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.630 0.986 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.573 0.983 5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.922 1.302 4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.160 -0.795 5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.713 -1.565 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.603 -0.742 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.384 0.510 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.156 -1.547 8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.765 -1.018 8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.634 -2.356 7.495 1.00 0.00 H new ATOM 923 N TYR A 66 10.317 -0.461 0.204 1.00 0.00 N ATOM 924 CA TYR A 66 10.567 -0.441 -1.232 1.00 0.00 C ATOM 925 C TYR A 66 9.944 0.794 -1.877 1.00 0.00 C ATOM 926 O TYR A 66 8.752 1.056 -1.718 1.00 0.00 O ATOM 927 CB TYR A 66 10.009 -1.707 -1.885 1.00 0.00 C ATOM 928 CG TYR A 66 10.197 -1.748 -3.385 1.00 0.00 C ATOM 929 CD1 TYR A 66 11.440 -2.028 -3.941 1.00 0.00 C ATOM 930 CD2 TYR A 66 9.134 -1.505 -4.246 1.00 0.00 C ATOM 931 CE1 TYR A 66 11.617 -2.066 -5.311 1.00 0.00 C ATOM 932 CE2 TYR A 66 9.302 -1.542 -5.616 1.00 0.00 C ATOM 933 CZ TYR A 66 10.545 -1.823 -6.144 1.00 0.00 C ATOM 934 OH TYR A 66 10.717 -1.860 -7.509 1.00 0.00 O ATOM 0 H TYR A 66 9.397 -0.814 0.467 1.00 0.00 H new ATOM 0 HA TYR A 66 11.645 -0.404 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 66 10.493 -2.578 -1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.946 -1.784 -1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 66 12.281 -2.219 -3.291 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.159 -1.283 -3.837 1.00 0.00 H new ATOM 0 HE1 TYR A 66 12.589 -2.285 -5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.464 -1.352 -6.271 1.00 0.00 H new ATOM 0 HH TYR A 66 9.864 -1.668 -7.952 1.00 0.00 H new ATOM 944 N GLU A 67 10.761 1.549 -2.605 1.00 0.00 N ATOM 945 CA GLU A 67 10.291 2.756 -3.273 1.00 0.00 C ATOM 946 C GLU A 67 9.128 2.442 -4.210 1.00 0.00 C ATOM 947 O GLU A 67 9.267 1.659 -5.150 1.00 0.00 O ATOM 948 CB GLU A 67 11.432 3.408 -4.059 1.00 0.00 C ATOM 949 CG GLU A 67 11.320 4.920 -4.153 1.00 0.00 C ATOM 950 CD GLU A 67 12.615 5.575 -4.593 1.00 0.00 C ATOM 951 OE1 GLU A 67 13.112 5.233 -5.686 1.00 0.00 O ATOM 952 OE2 GLU A 67 13.132 6.429 -3.843 1.00 0.00 O ATOM 0 H GLU A 67 11.750 1.346 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 67 9.942 3.451 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.380 3.151 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.454 2.990 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.529 5.179 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.027 5.320 -3.182 1.00 0.00 H new ATOM 959 N PHE A 68 7.981 3.059 -3.946 1.00 0.00 N ATOM 960 CA PHE A 68 6.792 2.844 -4.763 1.00 0.00 C ATOM 961 C PHE A 68 6.903 3.589 -6.091 1.00 0.00 C ATOM 962 O PHE A 68 7.799 4.413 -6.279 1.00 0.00 O ATOM 963 CB PHE A 68 5.541 3.302 -4.012 1.00 0.00 C ATOM 964 CG PHE A 68 5.297 2.547 -2.737 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.349 1.162 -2.716 1.00 0.00 C ATOM 966 CD2 PHE A 68 5.017 3.221 -1.559 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.125 0.464 -1.544 1.00 0.00 C ATOM 968 CE2 PHE A 68 4.793 2.528 -0.384 1.00 0.00 C ATOM 969 CZ PHE A 68 4.846 1.148 -0.377 1.00 0.00 C ATOM 0 H PHE A 68 7.850 3.712 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 68 6.712 1.777 -4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.632 4.364 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.674 3.189 -4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.567 0.622 -3.626 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.973 4.300 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.168 -0.615 -1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.577 3.065 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.670 0.605 0.539 1.00 0.00 H new ATOM 979 N ILE A 69 5.988 3.293 -7.007 1.00 0.00 N ATOM 980 CA ILE A 69 5.982 3.935 -8.315 1.00 0.00 C ATOM 981 C ILE A 69 5.407 5.345 -8.234 1.00 0.00 C ATOM 982 O ILE A 69 4.200 5.542 -8.367 1.00 0.00 O ATOM 983 CB ILE A 69 5.169 3.119 -9.339 1.00 0.00 C ATOM 984 CG1 ILE A 69 5.778 1.727 -9.512 1.00 0.00 C ATOM 985 CG2 ILE A 69 5.113 3.849 -10.672 1.00 0.00 C ATOM 986 CD1 ILE A 69 4.916 0.787 -10.327 1.00 0.00 C ATOM 0 H ILE A 69 5.241 2.613 -6.868 1.00 0.00 H new ATOM 0 HA ILE A 69 7.020 3.987 -8.645 1.00 0.00 H new ATOM 0 HB ILE A 69 4.151 3.005 -8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.752 1.822 -9.992 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.949 1.289 -8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.536 3.261 -11.385 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.639 4.821 -10.535 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.125 3.990 -11.053 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.410 -0.181 -10.409 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.951 0.661 -9.837 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.766 1.203 -11.323 1.00 0.00 H new