USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 436 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 39 TYR OH : rot 0:sc= -1.22! USER MOD Set 1.2: A 49 ASN : amide:sc= -4.6! C(o=-5.8!,f=-10!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 142:sc= -0.774 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.628 K(o=-0.63,f=-0.11) USER MOD Single : A 41 TYR OH : rot 86:sc= 0.355 USER MOD Single : A 45 GLN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 48 ASN : amide:sc=-4.12e-05 X(o=-4.1e-05,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.34) USER MOD Single : A 65 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 13 -4.613 9.253 3.995 1.00 0.00 N ATOM 133 CA LEU A 13 -4.350 8.262 2.966 1.00 0.00 C ATOM 134 C LEU A 13 -2.960 8.503 2.375 1.00 0.00 C ATOM 135 O LEU A 13 -2.126 7.600 2.352 1.00 0.00 O ATOM 136 CB LEU A 13 -5.470 8.261 1.924 1.00 0.00 C ATOM 137 CG LEU A 13 -5.649 6.963 1.133 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.974 6.966 0.368 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.455 6.714 0.210 1.00 0.00 C ATOM 0 HA LEU A 13 -4.345 7.260 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.409 8.488 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.284 9.071 1.218 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.687 6.134 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.077 6.033 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.800 7.063 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.990 7.805 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.608 5.786 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.360 7.541 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.545 6.638 0.805 1.00 0.00 H new ATOM 151 N ASP A 14 -2.753 9.727 1.912 1.00 0.00 N ATOM 152 CA ASP A 14 -1.478 10.099 1.323 1.00 0.00 C ATOM 153 C ASP A 14 -0.343 9.631 2.236 1.00 0.00 C ATOM 154 O ASP A 14 0.590 8.970 1.783 1.00 0.00 O ATOM 155 CB ASP A 14 -1.365 11.617 1.167 1.00 0.00 C ATOM 156 CG ASP A 14 -0.362 12.086 0.111 1.00 0.00 C ATOM 157 OD1 ASP A 14 0.241 11.200 -0.532 1.00 0.00 O ATOM 158 OD2 ASP A 14 -0.222 13.320 -0.030 1.00 0.00 O ATOM 0 H ASP A 14 -3.447 10.474 1.933 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.411 9.630 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.348 12.015 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.084 12.046 2.129 1.00 0.00 H new ATOM 163 N SER A 15 -0.460 9.994 3.505 1.00 0.00 N ATOM 164 CA SER A 15 0.545 9.620 4.485 1.00 0.00 C ATOM 165 C SER A 15 0.757 8.105 4.465 1.00 0.00 C ATOM 166 O SER A 15 1.887 7.634 4.345 1.00 0.00 O ATOM 167 CB SER A 15 0.143 10.080 5.888 1.00 0.00 C ATOM 168 OG SER A 15 1.221 9.972 6.814 1.00 0.00 O ATOM 0 H SER A 15 -1.235 10.543 3.877 1.00 0.00 H new ATOM 0 HA SER A 15 1.480 10.115 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.197 11.115 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.698 9.482 6.239 1.00 0.00 H new ATOM 0 HG SER A 15 0.925 10.277 7.697 1.00 0.00 H new ATOM 174 N LEU A 16 -0.347 7.383 4.584 1.00 0.00 N ATOM 175 CA LEU A 16 -0.296 5.930 4.581 1.00 0.00 C ATOM 176 C LEU A 16 0.657 5.461 3.480 1.00 0.00 C ATOM 177 O LEU A 16 1.589 4.702 3.743 1.00 0.00 O ATOM 178 CB LEU A 16 -1.705 5.345 4.466 1.00 0.00 C ATOM 179 CG LEU A 16 -2.658 5.658 5.621 1.00 0.00 C ATOM 180 CD1 LEU A 16 -4.051 5.085 5.353 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.084 5.172 6.953 1.00 0.00 C ATOM 0 H LEU A 16 -1.283 7.777 4.683 1.00 0.00 H new ATOM 0 HA LEU A 16 0.101 5.560 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.154 5.710 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.621 4.262 4.374 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.764 6.740 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.709 5.322 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.454 5.521 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.984 4.003 5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.781 5.407 7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.929 4.094 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.132 5.668 7.142 1.00 0.00 H new ATOM 193 N ILE A 17 0.390 5.931 2.270 1.00 0.00 N ATOM 194 CA ILE A 17 1.212 5.568 1.128 1.00 0.00 C ATOM 195 C ILE A 17 2.670 5.933 1.418 1.00 0.00 C ATOM 196 O ILE A 17 3.514 5.052 1.576 1.00 0.00 O ATOM 197 CB ILE A 17 0.663 6.203 -0.151 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.670 5.566 -0.550 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.691 6.137 -1.281 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.325 6.338 -1.697 1.00 0.00 C ATOM 0 H ILE A 17 -0.384 6.560 2.056 1.00 0.00 H new ATOM 0 HA ILE A 17 1.179 4.491 0.962 1.00 0.00 H new ATOM 0 HB ILE A 17 0.470 7.257 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.507 4.531 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.340 5.547 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.275 6.595 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.593 6.673 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.939 5.096 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.271 5.864 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.509 7.366 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.663 6.334 -2.563 1.00 0.00 H new ATOM 212 N SER A 18 2.920 7.232 1.481 1.00 0.00 N ATOM 213 CA SER A 18 4.261 7.724 1.749 1.00 0.00 C ATOM 214 C SER A 18 4.923 6.872 2.834 1.00 0.00 C ATOM 215 O SER A 18 6.038 6.385 2.651 1.00 0.00 O ATOM 216 CB SER A 18 4.234 9.194 2.172 1.00 0.00 C ATOM 217 OG SER A 18 3.862 10.052 1.097 1.00 0.00 O ATOM 0 H SER A 18 2.217 7.959 1.351 1.00 0.00 H new ATOM 0 HA SER A 18 4.843 7.649 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.533 9.321 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.218 9.483 2.543 1.00 0.00 H new ATOM 0 HG SER A 18 3.855 10.981 1.408 1.00 0.00 H new ATOM 223 N GLN A 19 4.209 6.717 3.939 1.00 0.00 N ATOM 224 CA GLN A 19 4.713 5.932 5.052 1.00 0.00 C ATOM 225 C GLN A 19 5.336 4.630 4.545 1.00 0.00 C ATOM 226 O GLN A 19 6.499 4.343 4.824 1.00 0.00 O ATOM 227 CB GLN A 19 3.607 5.651 6.071 1.00 0.00 C ATOM 228 CG GLN A 19 3.187 6.933 6.793 1.00 0.00 C ATOM 229 CD GLN A 19 3.296 6.769 8.310 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.150 7.346 8.963 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.386 5.951 8.833 1.00 0.00 N ATOM 0 H GLN A 19 3.285 7.122 4.087 1.00 0.00 H new ATOM 0 HA GLN A 19 5.488 6.510 5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.745 5.215 5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.955 4.918 6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.817 7.761 6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.162 7.187 6.524 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.699 5.500 8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.376 5.775 9.838 1.00 0.00 H new ATOM 240 N VAL A 20 4.533 3.875 3.808 1.00 0.00 N ATOM 241 CA VAL A 20 4.991 2.610 3.260 1.00 0.00 C ATOM 242 C VAL A 20 6.128 2.870 2.269 1.00 0.00 C ATOM 243 O VAL A 20 7.204 2.286 2.387 1.00 0.00 O ATOM 244 CB VAL A 20 3.815 1.855 2.636 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.296 0.597 1.909 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.763 1.510 3.691 1.00 0.00 C ATOM 0 H VAL A 20 3.569 4.116 3.578 1.00 0.00 H new ATOM 0 HA VAL A 20 5.388 1.972 4.050 1.00 0.00 H new ATOM 0 HB VAL A 20 3.348 2.510 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.441 0.079 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.991 0.877 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.799 -0.062 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.938 0.974 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.212 0.882 4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.388 2.428 4.144 1.00 0.00 H new ATOM 256 N LYS A 21 5.850 3.747 1.316 1.00 0.00 N ATOM 257 CA LYS A 21 6.836 4.091 0.306 1.00 0.00 C ATOM 258 C LYS A 21 8.183 4.354 0.983 1.00 0.00 C ATOM 259 O LYS A 21 9.196 3.767 0.607 1.00 0.00 O ATOM 260 CB LYS A 21 6.341 5.258 -0.551 1.00 0.00 C ATOM 261 CG LYS A 21 7.095 5.321 -1.881 1.00 0.00 C ATOM 262 CD LYS A 21 6.303 6.111 -2.924 1.00 0.00 C ATOM 263 CE LYS A 21 7.045 7.388 -3.325 1.00 0.00 C ATOM 264 NZ LYS A 21 6.701 8.497 -2.408 1.00 0.00 N ATOM 0 H LYS A 21 4.956 4.230 1.222 1.00 0.00 H new ATOM 0 HA LYS A 21 6.981 3.259 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.273 5.148 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.474 6.194 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.069 5.787 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.279 4.311 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.136 5.491 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.322 6.367 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.121 7.212 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.785 7.660 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.213 9.356 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.677 8.675 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.971 8.241 -1.437 1.00 0.00 H new ATOM 278 N ASP A 22 8.151 5.238 1.969 1.00 0.00 N ATOM 279 CA ASP A 22 9.356 5.586 2.702 1.00 0.00 C ATOM 280 C ASP A 22 10.112 4.307 3.069 1.00 0.00 C ATOM 281 O ASP A 22 11.337 4.316 3.178 1.00 0.00 O ATOM 282 CB ASP A 22 9.018 6.323 4.000 1.00 0.00 C ATOM 283 CG ASP A 22 8.952 7.847 3.879 1.00 0.00 C ATOM 284 OD1 ASP A 22 9.682 8.380 3.016 1.00 0.00 O ATOM 285 OD2 ASP A 22 8.173 8.444 4.653 1.00 0.00 O ATOM 0 H ASP A 22 7.309 5.724 2.278 1.00 0.00 H new ATOM 0 HA ASP A 22 9.962 6.232 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.058 5.961 4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.764 6.065 4.752 1.00 0.00 H new ATOM 290 N LEU A 23 9.350 3.238 3.248 1.00 0.00 N ATOM 291 CA LEU A 23 9.933 1.954 3.600 1.00 0.00 C ATOM 292 C LEU A 23 10.182 1.146 2.325 1.00 0.00 C ATOM 293 O LEU A 23 11.164 0.410 2.234 1.00 0.00 O ATOM 294 CB LEU A 23 9.057 1.231 4.625 1.00 0.00 C ATOM 295 CG LEU A 23 9.048 1.823 6.036 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.177 0.987 6.975 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.472 1.987 6.570 1.00 0.00 C ATOM 0 H LEU A 23 8.334 3.234 3.156 1.00 0.00 H new ATOM 0 HA LEU A 23 10.900 2.094 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.033 1.216 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.388 0.194 4.689 1.00 0.00 H new ATOM 0 HG LEU A 23 8.606 2.818 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.188 1.429 7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.154 0.965 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.568 -0.029 7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.438 2.410 7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.963 1.014 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.032 2.654 5.915 1.00 0.00 H new ATOM 309 N LEU A 24 9.277 1.311 1.371 1.00 0.00 N ATOM 310 CA LEU A 24 9.387 0.605 0.106 1.00 0.00 C ATOM 311 C LEU A 24 9.206 1.599 -1.044 1.00 0.00 C ATOM 312 O LEU A 24 8.175 1.596 -1.715 1.00 0.00 O ATOM 313 CB LEU A 24 8.410 -0.571 0.061 1.00 0.00 C ATOM 314 CG LEU A 24 8.630 -1.665 1.108 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.541 -2.736 1.018 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.033 -2.263 0.990 1.00 0.00 C ATOM 0 H LEU A 24 8.465 1.923 1.449 1.00 0.00 H new ATOM 0 HA LEU A 24 10.380 0.168 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.398 -0.182 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.465 -1.026 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 24 8.556 -1.212 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.721 -3.502 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.566 -2.279 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.559 -3.191 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.163 -3.038 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.161 -2.698 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.776 -1.480 1.142 1.00 0.00 H new ATOM 328 N PRO A 25 10.251 2.447 -1.241 1.00 0.00 N ATOM 329 CA PRO A 25 10.217 3.443 -2.298 1.00 0.00 C ATOM 330 C PRO A 25 10.438 2.798 -3.667 1.00 0.00 C ATOM 331 O PRO A 25 9.968 3.310 -4.682 1.00 0.00 O ATOM 332 CB PRO A 25 11.302 4.443 -1.931 1.00 0.00 C ATOM 333 CG PRO A 25 12.209 3.729 -0.942 1.00 0.00 C ATOM 334 CD PRO A 25 11.488 2.479 -0.466 1.00 0.00 C ATOM 0 HA PRO A 25 9.249 3.937 -2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.858 4.758 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.872 5.341 -1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.156 3.467 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.442 4.380 -0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.088 1.586 -0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.284 2.523 0.604 1.00 0.00 H new ATOM 342 N ASP A 26 11.153 1.682 -3.652 1.00 0.00 N ATOM 343 CA ASP A 26 11.441 0.962 -4.880 1.00 0.00 C ATOM 344 C ASP A 26 10.136 0.715 -5.641 1.00 0.00 C ATOM 345 O ASP A 26 10.072 0.916 -6.852 1.00 0.00 O ATOM 346 CB ASP A 26 12.080 -0.397 -4.585 1.00 0.00 C ATOM 347 CG ASP A 26 13.598 -0.371 -4.399 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.048 0.376 -3.503 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.275 -1.098 -5.158 1.00 0.00 O ATOM 0 H ASP A 26 11.541 1.259 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 26 12.131 1.565 -5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.626 -0.807 -3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.841 -1.079 -5.401 1.00 0.00 H new ATOM 354 N LEU A 27 9.128 0.283 -4.897 1.00 0.00 N ATOM 355 CA LEU A 27 7.829 0.007 -5.486 1.00 0.00 C ATOM 356 C LEU A 27 7.177 1.324 -5.912 1.00 0.00 C ATOM 357 O LEU A 27 7.559 2.392 -5.437 1.00 0.00 O ATOM 358 CB LEU A 27 6.971 -0.821 -4.527 1.00 0.00 C ATOM 359 CG LEU A 27 7.490 -2.225 -4.206 1.00 0.00 C ATOM 360 CD1 LEU A 27 6.801 -2.793 -2.964 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.346 -3.152 -5.415 1.00 0.00 C ATOM 0 H LEU A 27 9.185 0.118 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 27 7.939 -0.600 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.871 -0.270 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.971 -0.913 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 27 8.554 -2.153 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.188 -3.791 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.997 -2.144 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.726 -2.849 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.722 -4.143 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.295 -3.224 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.918 -2.751 -6.251 1.00 0.00 H new ATOM 373 N GLY A 28 6.205 1.205 -6.804 1.00 0.00 N ATOM 374 CA GLY A 28 5.496 2.372 -7.300 1.00 0.00 C ATOM 375 C GLY A 28 4.204 2.605 -6.513 1.00 0.00 C ATOM 376 O GLY A 28 3.467 1.661 -6.231 1.00 0.00 O ATOM 0 H GLY A 28 5.891 0.317 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.136 3.251 -7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.263 2.239 -8.357 1.00 0.00 H new ATOM 380 N GLU A 29 3.970 3.866 -6.182 1.00 0.00 N ATOM 381 CA GLU A 29 2.780 4.234 -5.434 1.00 0.00 C ATOM 382 C GLU A 29 1.572 3.437 -5.931 1.00 0.00 C ATOM 383 O GLU A 29 0.863 2.820 -5.138 1.00 0.00 O ATOM 384 CB GLU A 29 2.519 5.739 -5.525 1.00 0.00 C ATOM 385 CG GLU A 29 3.214 6.486 -4.384 1.00 0.00 C ATOM 386 CD GLU A 29 3.135 8.000 -4.592 1.00 0.00 C ATOM 387 OE1 GLU A 29 3.408 8.432 -5.732 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.802 8.691 -3.605 1.00 0.00 O ATOM 0 H GLU A 29 4.584 4.646 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 29 2.945 3.990 -4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.877 6.117 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.446 5.929 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.749 6.221 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.258 6.177 -4.325 1.00 0.00 H new ATOM 395 N GLY A 30 1.376 3.477 -7.241 1.00 0.00 N ATOM 396 CA GLY A 30 0.266 2.766 -7.853 1.00 0.00 C ATOM 397 C GLY A 30 0.040 1.414 -7.173 1.00 0.00 C ATOM 398 O GLY A 30 -1.092 1.065 -6.840 1.00 0.00 O ATOM 0 H GLY A 30 1.967 3.990 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.640 3.368 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.467 2.615 -8.914 1.00 0.00 H new ATOM 402 N PHE A 31 1.134 0.690 -6.988 1.00 0.00 N ATOM 403 CA PHE A 31 1.068 -0.616 -6.354 1.00 0.00 C ATOM 404 C PHE A 31 0.903 -0.482 -4.839 1.00 0.00 C ATOM 405 O PHE A 31 0.251 -1.312 -4.207 1.00 0.00 O ATOM 406 CB PHE A 31 2.392 -1.323 -6.650 1.00 0.00 C ATOM 407 CG PHE A 31 2.676 -2.519 -5.739 1.00 0.00 C ATOM 408 CD1 PHE A 31 3.322 -2.334 -4.556 1.00 0.00 C ATOM 409 CD2 PHE A 31 2.283 -3.766 -6.111 1.00 0.00 C ATOM 410 CE1 PHE A 31 3.586 -3.443 -3.710 1.00 0.00 C ATOM 411 CE2 PHE A 31 2.547 -4.876 -5.264 1.00 0.00 C ATOM 412 CZ PHE A 31 3.193 -4.691 -4.082 1.00 0.00 C ATOM 0 H PHE A 31 2.071 0.983 -7.266 1.00 0.00 H new ATOM 0 HA PHE A 31 0.214 -1.174 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.388 -1.662 -7.686 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.206 -0.604 -6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.634 -1.343 -4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.770 -3.913 -7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.099 -3.296 -2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.234 -5.867 -5.559 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.394 -5.535 -3.439 1.00 0.00 H new ATOM 422 N ILE A 32 1.504 0.568 -4.301 1.00 0.00 N ATOM 423 CA ILE A 32 1.432 0.821 -2.872 1.00 0.00 C ATOM 424 C ILE A 32 -0.007 1.176 -2.493 1.00 0.00 C ATOM 425 O ILE A 32 -0.487 0.786 -1.430 1.00 0.00 O ATOM 426 CB ILE A 32 2.455 1.883 -2.463 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.871 1.462 -2.861 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.349 2.200 -0.970 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.832 2.652 -2.808 1.00 0.00 C ATOM 0 H ILE A 32 2.043 1.254 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 32 1.698 -0.076 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 32 2.229 2.802 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.222 0.676 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.860 1.043 -3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.087 2.957 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.350 2.574 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.535 1.295 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.832 2.326 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.491 3.426 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.859 3.053 -1.795 1.00 0.00 H new ATOM 441 N LEU A 33 -0.656 1.911 -3.384 1.00 0.00 N ATOM 442 CA LEU A 33 -2.031 2.323 -3.157 1.00 0.00 C ATOM 443 C LEU A 33 -2.942 1.095 -3.211 1.00 0.00 C ATOM 444 O LEU A 33 -3.724 0.856 -2.292 1.00 0.00 O ATOM 445 CB LEU A 33 -2.429 3.427 -4.138 1.00 0.00 C ATOM 446 CG LEU A 33 -3.912 3.801 -4.162 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.716 2.798 -4.992 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.465 3.943 -2.742 1.00 0.00 C ATOM 0 H LEU A 33 -0.255 2.232 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.139 2.758 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.853 4.321 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.137 3.117 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.012 4.773 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.767 3.086 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.341 2.789 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.613 1.803 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.521 4.209 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.352 2.998 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.917 4.723 -2.214 1.00 0.00 H new ATOM 460 N ALA A 34 -2.810 0.347 -4.297 1.00 0.00 N ATOM 461 CA ALA A 34 -3.611 -0.850 -4.483 1.00 0.00 C ATOM 462 C ALA A 34 -3.519 -1.721 -3.228 1.00 0.00 C ATOM 463 O ALA A 34 -4.539 -2.079 -2.641 1.00 0.00 O ATOM 464 CB ALA A 34 -3.143 -1.588 -5.739 1.00 0.00 C ATOM 0 H ALA A 34 -2.160 0.547 -5.057 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.660 -0.590 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.744 -2.486 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.256 -0.938 -6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.095 -1.866 -5.628 1.00 0.00 H new ATOM 470 N CYS A 35 -2.288 -2.035 -2.853 1.00 0.00 N ATOM 471 CA CYS A 35 -2.050 -2.856 -1.679 1.00 0.00 C ATOM 472 C CYS A 35 -2.856 -2.275 -0.515 1.00 0.00 C ATOM 473 O CYS A 35 -3.731 -2.943 0.033 1.00 0.00 O ATOM 474 CB CYS A 35 -0.559 -2.952 -1.349 1.00 0.00 C ATOM 475 SG CYS A 35 0.262 -4.119 -2.494 1.00 0.00 S ATOM 0 H CYS A 35 -1.444 -1.735 -3.342 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.379 -3.877 -1.873 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.097 -1.968 -1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.427 -3.286 -0.320 1.00 0.00 H new ATOM 0 HG CYS A 35 1.442 -3.668 -2.800 1.00 0.00 H new ATOM 481 N LEU A 36 -2.532 -1.037 -0.172 1.00 0.00 N ATOM 482 CA LEU A 36 -3.215 -0.359 0.916 1.00 0.00 C ATOM 483 C LEU A 36 -4.719 -0.615 0.807 1.00 0.00 C ATOM 484 O LEU A 36 -5.325 -1.175 1.719 1.00 0.00 O ATOM 485 CB LEU A 36 -2.843 1.125 0.939 1.00 0.00 C ATOM 486 CG LEU A 36 -1.586 1.490 1.732 1.00 0.00 C ATOM 487 CD1 LEU A 36 -1.082 2.883 1.350 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.830 1.361 3.237 1.00 0.00 C ATOM 0 H LEU A 36 -1.805 -0.486 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.893 -0.760 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.710 1.462 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.683 1.683 1.351 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.800 0.781 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.188 3.118 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.843 2.904 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.856 3.621 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.921 1.626 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.637 2.031 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.106 0.334 3.474 1.00 0.00 H new ATOM 500 N GLU A 37 -5.279 -0.191 -0.317 1.00 0.00 N ATOM 501 CA GLU A 37 -6.701 -0.367 -0.557 1.00 0.00 C ATOM 502 C GLU A 37 -7.135 -1.780 -0.161 1.00 0.00 C ATOM 503 O GLU A 37 -8.050 -1.949 0.643 1.00 0.00 O ATOM 504 CB GLU A 37 -7.050 -0.076 -2.018 1.00 0.00 C ATOM 505 CG GLU A 37 -7.300 1.418 -2.234 1.00 0.00 C ATOM 506 CD GLU A 37 -8.412 1.646 -3.260 1.00 0.00 C ATOM 507 OE1 GLU A 37 -8.135 1.418 -4.457 1.00 0.00 O ATOM 508 OE2 GLU A 37 -9.514 2.042 -2.823 1.00 0.00 O ATOM 0 H GLU A 37 -4.773 0.274 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.245 0.346 0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.237 -0.410 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.937 -0.642 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.572 1.885 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.383 1.898 -2.574 1.00 0.00 H new ATOM 515 N TYR A 38 -6.458 -2.758 -0.744 1.00 0.00 N ATOM 516 CA TYR A 38 -6.762 -4.151 -0.462 1.00 0.00 C ATOM 517 C TYR A 38 -6.732 -4.424 1.043 1.00 0.00 C ATOM 518 O TYR A 38 -7.661 -5.019 1.588 1.00 0.00 O ATOM 519 CB TYR A 38 -5.661 -4.969 -1.139 1.00 0.00 C ATOM 520 CG TYR A 38 -5.936 -6.473 -1.175 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.710 -7.243 -0.052 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.409 -7.061 -2.331 1.00 0.00 C ATOM 523 CE1 TYR A 38 -5.969 -8.659 -0.086 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.668 -8.477 -2.364 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.435 -9.206 -1.240 1.00 0.00 C ATOM 526 OH TYR A 38 -6.679 -10.544 -1.272 1.00 0.00 O ATOM 0 H TYR A 38 -5.700 -2.614 -1.411 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.757 -4.408 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.531 -4.609 -2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.720 -4.795 -0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.339 -6.783 0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.585 -6.459 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.797 -9.273 0.786 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.039 -8.950 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.009 -10.795 -2.160 1.00 0.00 H new ATOM 536 N TYR A 39 -5.655 -3.978 1.672 1.00 0.00 N ATOM 537 CA TYR A 39 -5.492 -4.167 3.103 1.00 0.00 C ATOM 538 C TYR A 39 -6.159 -3.033 3.886 1.00 0.00 C ATOM 539 O TYR A 39 -5.594 -2.528 4.855 1.00 0.00 O ATOM 540 CB TYR A 39 -3.985 -4.134 3.364 1.00 0.00 C ATOM 541 CG TYR A 39 -3.229 -5.337 2.797 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.355 -6.575 3.393 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.420 -5.183 1.690 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.644 -7.707 2.860 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.708 -6.316 1.156 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.855 -7.522 1.767 1.00 0.00 C ATOM 547 OH TYR A 39 -1.182 -8.591 1.263 1.00 0.00 O ATOM 0 H TYR A 39 -4.886 -3.486 1.217 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.951 -5.103 3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.572 -3.222 2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.814 -4.084 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.988 -6.695 4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.321 -4.214 1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.735 -8.681 3.317 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.072 -6.210 0.290 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.381 -9.386 1.801 1.00 0.00 H new ATOM 557 N HIS A 40 -7.349 -2.667 3.436 1.00 0.00 N ATOM 558 CA HIS A 40 -8.099 -1.602 4.081 1.00 0.00 C ATOM 559 C HIS A 40 -7.144 -0.479 4.492 1.00 0.00 C ATOM 560 O HIS A 40 -6.995 -0.189 5.678 1.00 0.00 O ATOM 561 CB HIS A 40 -8.914 -2.147 5.256 1.00 0.00 C ATOM 562 CG HIS A 40 -9.750 -3.357 4.914 1.00 0.00 C ATOM 563 ND1 HIS A 40 -11.130 -3.369 5.023 1.00 0.00 N ATOM 564 CD2 HIS A 40 -9.388 -4.593 4.465 1.00 0.00 C ATOM 565 CE1 HIS A 40 -11.567 -4.564 4.654 1.00 0.00 C ATOM 566 NE2 HIS A 40 -10.486 -5.321 4.309 1.00 0.00 N ATOM 0 H HIS A 40 -7.814 -3.089 2.632 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.819 -1.181 3.379 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.234 -2.405 6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.569 -1.359 5.627 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.378 -4.923 4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.599 -4.883 4.630 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.517 -6.288 3.985 1.00 0.00 H new ATOM 574 N TYR A 41 -6.522 0.122 3.489 1.00 0.00 N ATOM 575 CA TYR A 41 -5.586 1.207 3.731 1.00 0.00 C ATOM 576 C TYR A 41 -4.761 0.947 4.992 1.00 0.00 C ATOM 577 O TYR A 41 -4.770 1.754 5.921 1.00 0.00 O ATOM 578 CB TYR A 41 -6.438 2.460 3.941 1.00 0.00 C ATOM 579 CG TYR A 41 -7.169 2.934 2.684 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.448 3.366 1.589 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.548 2.931 2.644 1.00 0.00 C ATOM 582 CE1 TYR A 41 -7.136 3.813 0.405 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.236 3.377 1.460 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.496 3.796 0.399 1.00 0.00 C ATOM 585 OH TYR A 41 -9.145 4.218 -0.719 1.00 0.00 O ATOM 0 H TYR A 41 -6.648 -0.122 2.507 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.892 1.309 2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.172 2.261 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.798 3.265 4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.368 3.369 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.112 2.594 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.584 4.154 -0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.315 3.379 1.416 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.228 3.473 -1.350 1.00 0.00 H new ATOM 595 N ASP A 42 -4.067 -0.181 4.986 1.00 0.00 N ATOM 596 CA ASP A 42 -3.238 -0.557 6.118 1.00 0.00 C ATOM 597 C ASP A 42 -1.772 -0.594 5.682 1.00 0.00 C ATOM 598 O ASP A 42 -1.416 -1.313 4.750 1.00 0.00 O ATOM 599 CB ASP A 42 -3.611 -1.947 6.637 1.00 0.00 C ATOM 600 CG ASP A 42 -2.931 -2.353 7.946 1.00 0.00 C ATOM 601 OD1 ASP A 42 -1.683 -2.282 7.983 1.00 0.00 O ATOM 602 OD2 ASP A 42 -3.673 -2.725 8.880 1.00 0.00 O ATOM 0 H ASP A 42 -4.062 -0.848 4.214 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.395 0.177 6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.691 -1.988 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.362 -2.683 5.872 1.00 0.00 H new ATOM 607 N PRO A 43 -0.939 0.212 6.394 1.00 0.00 N ATOM 608 CA PRO A 43 0.480 0.278 6.090 1.00 0.00 C ATOM 609 C PRO A 43 1.207 -0.972 6.589 1.00 0.00 C ATOM 610 O PRO A 43 1.806 -1.702 5.801 1.00 0.00 O ATOM 611 CB PRO A 43 0.966 1.554 6.758 1.00 0.00 C ATOM 612 CG PRO A 43 -0.087 1.910 7.794 1.00 0.00 C ATOM 613 CD PRO A 43 -1.326 1.078 7.504 1.00 0.00 C ATOM 0 HA PRO A 43 0.680 0.303 5.019 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.939 1.404 7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.083 2.356 6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.282 1.707 8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.322 2.973 7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.625 0.495 8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.173 1.709 7.237 1.00 0.00 H new ATOM 621 N GLU A 44 1.130 -1.181 7.895 1.00 0.00 N ATOM 622 CA GLU A 44 1.772 -2.330 8.509 1.00 0.00 C ATOM 623 C GLU A 44 1.456 -3.601 7.717 1.00 0.00 C ATOM 624 O GLU A 44 2.360 -4.255 7.200 1.00 0.00 O ATOM 625 CB GLU A 44 1.352 -2.477 9.972 1.00 0.00 C ATOM 626 CG GLU A 44 2.519 -2.969 10.831 1.00 0.00 C ATOM 627 CD GLU A 44 2.096 -4.150 11.707 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.276 -4.956 11.215 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.602 -4.221 12.848 1.00 0.00 O ATOM 0 H GLU A 44 0.632 -0.573 8.545 1.00 0.00 H new ATOM 0 HA GLU A 44 2.850 -2.172 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.996 -1.518 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.520 -3.177 10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.348 -3.267 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.880 -2.156 11.461 1.00 0.00 H new ATOM 636 N GLN A 45 0.170 -3.911 7.647 1.00 0.00 N ATOM 637 CA GLN A 45 -0.277 -5.092 6.927 1.00 0.00 C ATOM 638 C GLN A 45 0.485 -5.228 5.607 1.00 0.00 C ATOM 639 O GLN A 45 1.147 -6.238 5.370 1.00 0.00 O ATOM 640 CB GLN A 45 -1.787 -5.048 6.686 1.00 0.00 C ATOM 641 CG GLN A 45 -2.554 -5.509 7.927 1.00 0.00 C ATOM 642 CD GLN A 45 -3.918 -6.088 7.545 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.047 -7.239 7.161 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.925 -5.228 7.671 1.00 0.00 N ATOM 0 H GLN A 45 -0.577 -3.365 8.077 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.065 -5.969 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.088 -4.033 6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.042 -5.685 5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.972 -6.261 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.689 -4.669 8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.747 -4.278 7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.875 -5.518 7.440 1.00 0.00 H new ATOM 653 N VAL A 46 0.367 -4.198 4.783 1.00 0.00 N ATOM 654 CA VAL A 46 1.037 -4.190 3.493 1.00 0.00 C ATOM 655 C VAL A 46 2.462 -4.721 3.661 1.00 0.00 C ATOM 656 O VAL A 46 2.766 -5.837 3.244 1.00 0.00 O ATOM 657 CB VAL A 46 0.988 -2.787 2.887 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.863 -2.700 1.634 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.452 -2.372 2.579 1.00 0.00 C ATOM 0 H VAL A 46 -0.183 -3.362 4.983 1.00 0.00 H new ATOM 0 HA VAL A 46 0.525 -4.849 2.792 1.00 0.00 H new ATOM 0 HB VAL A 46 1.387 -2.090 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.810 -1.692 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.896 -2.932 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.507 -3.414 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.458 -1.370 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.889 -3.074 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.036 -2.375 3.499 1.00 0.00 H new ATOM 669 N ILE A 47 3.299 -3.894 4.271 1.00 0.00 N ATOM 670 CA ILE A 47 4.685 -4.266 4.499 1.00 0.00 C ATOM 671 C ILE A 47 4.740 -5.673 5.097 1.00 0.00 C ATOM 672 O ILE A 47 5.512 -6.515 4.643 1.00 0.00 O ATOM 673 CB ILE A 47 5.391 -3.208 5.349 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.468 -1.871 4.609 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.770 -3.695 5.797 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.614 -0.708 5.591 1.00 0.00 C ATOM 0 H ILE A 47 3.044 -2.968 4.614 1.00 0.00 H new ATOM 0 HA ILE A 47 5.230 -4.299 3.556 1.00 0.00 H new ATOM 0 HB ILE A 47 4.799 -3.044 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.314 -1.880 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.570 -1.732 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.250 -2.924 6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.660 -4.603 6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.384 -3.906 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.666 0.230 5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.754 -0.687 6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.526 -0.837 6.175 1.00 0.00 H new ATOM 688 N ASN A 48 3.909 -5.884 6.108 1.00 0.00 N ATOM 689 CA ASN A 48 3.854 -7.174 6.774 1.00 0.00 C ATOM 690 C ASN A 48 3.806 -8.284 5.722 1.00 0.00 C ATOM 691 O ASN A 48 4.625 -9.201 5.744 1.00 0.00 O ATOM 692 CB ASN A 48 2.600 -7.292 7.642 1.00 0.00 C ATOM 693 CG ASN A 48 2.969 -7.473 9.116 1.00 0.00 C ATOM 694 OD1 ASN A 48 2.882 -8.554 9.676 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.385 -6.359 9.711 1.00 0.00 N ATOM 0 H ASN A 48 3.269 -5.183 6.482 1.00 0.00 H new ATOM 0 HA ASN A 48 4.739 -7.267 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.986 -6.399 7.524 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.000 -8.138 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.655 -6.376 10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.434 -5.487 9.184 1.00 0.00 H new ATOM 702 N ASN A 49 2.838 -8.165 4.825 1.00 0.00 N ATOM 703 CA ASN A 49 2.672 -9.146 3.767 1.00 0.00 C ATOM 704 C ASN A 49 3.963 -9.232 2.950 1.00 0.00 C ATOM 705 O ASN A 49 4.584 -10.291 2.873 1.00 0.00 O ATOM 706 CB ASN A 49 1.539 -8.749 2.819 1.00 0.00 C ATOM 707 CG ASN A 49 0.174 -9.058 3.437 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.450 -10.068 3.155 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.255 -8.134 4.292 1.00 0.00 N ATOM 0 H ASN A 49 2.160 -7.403 4.810 1.00 0.00 H new ATOM 0 HA ASN A 49 2.435 -10.104 4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.607 -7.685 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.645 -9.285 1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.156 -8.248 4.756 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.317 -7.312 4.483 1.00 0.00 H new ATOM 716 N ILE A 50 4.329 -8.103 2.361 1.00 0.00 N ATOM 717 CA ILE A 50 5.535 -8.037 1.553 1.00 0.00 C ATOM 718 C ILE A 50 6.683 -8.718 2.301 1.00 0.00 C ATOM 719 O ILE A 50 7.389 -9.551 1.736 1.00 0.00 O ATOM 720 CB ILE A 50 5.833 -6.591 1.152 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.687 -6.003 0.327 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.175 -6.489 0.425 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.594 -4.488 0.518 1.00 0.00 C ATOM 0 H ILE A 50 3.812 -7.227 2.427 1.00 0.00 H new ATOM 0 HA ILE A 50 5.397 -8.580 0.618 1.00 0.00 H new ATOM 0 HB ILE A 50 5.914 -5.994 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.839 -6.231 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.746 -6.469 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.362 -5.451 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.972 -6.841 1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.149 -7.103 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.771 -4.096 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.417 -4.264 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.527 -4.023 0.200 1.00 0.00 H new ATOM 735 N LEU A 51 6.833 -8.337 3.561 1.00 0.00 N ATOM 736 CA LEU A 51 7.883 -8.900 4.393 1.00 0.00 C ATOM 737 C LEU A 51 7.684 -10.412 4.505 1.00 0.00 C ATOM 738 O LEU A 51 8.642 -11.178 4.408 1.00 0.00 O ATOM 739 CB LEU A 51 7.938 -8.185 5.744 1.00 0.00 C ATOM 740 CG LEU A 51 9.025 -7.119 5.896 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.812 -6.296 7.168 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.419 -7.748 5.848 1.00 0.00 C ATOM 0 H LEU A 51 6.245 -7.645 4.026 1.00 0.00 H new ATOM 0 HA LEU A 51 8.859 -8.740 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.970 -7.717 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.080 -8.934 6.523 1.00 0.00 H new ATOM 0 HG LEU A 51 8.951 -6.433 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.598 -5.546 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.842 -5.801 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.844 -6.954 8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.174 -6.969 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.521 -8.469 6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.557 -8.254 4.893 1.00 0.00 H new ATOM 754 N GLU A 52 6.432 -10.798 4.707 1.00 0.00 N ATOM 755 CA GLU A 52 6.095 -12.206 4.833 1.00 0.00 C ATOM 756 C GLU A 52 5.778 -12.801 3.460 1.00 0.00 C ATOM 757 O GLU A 52 5.144 -13.851 3.365 1.00 0.00 O ATOM 758 CB GLU A 52 4.925 -12.405 5.799 1.00 0.00 C ATOM 759 CG GLU A 52 5.279 -11.901 7.200 1.00 0.00 C ATOM 760 CD GLU A 52 5.344 -13.058 8.199 1.00 0.00 C ATOM 761 OE1 GLU A 52 4.386 -13.861 8.200 1.00 0.00 O ATOM 762 OE2 GLU A 52 6.350 -13.114 8.938 1.00 0.00 O ATOM 0 H GLU A 52 5.640 -10.161 4.786 1.00 0.00 H new ATOM 0 HA GLU A 52 6.957 -12.730 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.048 -11.874 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.662 -13.462 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.239 -11.385 7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.535 -11.174 7.528 1.00 0.00 H new ATOM 769 N GLU A 53 6.235 -12.105 2.429 1.00 0.00 N ATOM 770 CA GLU A 53 6.009 -12.551 1.065 1.00 0.00 C ATOM 771 C GLU A 53 4.591 -13.106 0.916 1.00 0.00 C ATOM 772 O GLU A 53 4.363 -14.041 0.151 1.00 0.00 O ATOM 773 CB GLU A 53 7.051 -13.592 0.649 1.00 0.00 C ATOM 774 CG GLU A 53 7.698 -13.215 -0.686 1.00 0.00 C ATOM 775 CD GLU A 53 8.923 -14.089 -0.966 1.00 0.00 C ATOM 776 OE1 GLU A 53 9.896 -13.969 -0.190 1.00 0.00 O ATOM 777 OE2 GLU A 53 8.859 -14.857 -1.950 1.00 0.00 O ATOM 0 H GLU A 53 6.761 -11.235 2.511 1.00 0.00 H new ATOM 0 HA GLU A 53 6.114 -11.693 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.818 -13.672 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.579 -14.571 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.973 -13.330 -1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.992 -12.165 -0.669 1.00 0.00 H new ATOM 784 N ARG A 54 3.674 -12.506 1.661 1.00 0.00 N ATOM 785 CA ARG A 54 2.284 -12.928 1.621 1.00 0.00 C ATOM 786 C ARG A 54 1.498 -12.073 0.625 1.00 0.00 C ATOM 787 O ARG A 54 0.268 -12.100 0.614 1.00 0.00 O ATOM 788 CB ARG A 54 1.635 -12.816 3.002 1.00 0.00 C ATOM 789 CG ARG A 54 2.248 -13.822 3.979 1.00 0.00 C ATOM 790 CD ARG A 54 1.324 -14.058 5.175 1.00 0.00 C ATOM 791 NE ARG A 54 0.043 -14.642 4.718 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.045 -13.923 4.414 1.00 0.00 C ATOM 793 NH1 ARG A 54 -1.016 -12.587 4.518 1.00 0.00 N ATOM 794 NH2 ARG A 54 -2.164 -14.539 4.007 1.00 0.00 N ATOM 0 H ARG A 54 3.866 -11.731 2.296 1.00 0.00 H new ATOM 0 HA ARG A 54 2.263 -13.971 1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.764 -11.805 3.387 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.562 -12.991 2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.433 -14.766 3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.213 -13.454 4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.804 -14.727 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.140 -13.117 5.694 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.015 -15.656 4.629 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.165 -12.118 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.845 -12.039 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.187 -15.556 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.993 -13.991 3.776 1.00 0.00 H new ATOM 808 N LEU A 55 2.240 -11.334 -0.187 1.00 0.00 N ATOM 809 CA LEU A 55 1.627 -10.473 -1.184 1.00 0.00 C ATOM 810 C LEU A 55 0.510 -11.239 -1.896 1.00 0.00 C ATOM 811 O LEU A 55 0.740 -12.317 -2.442 1.00 0.00 O ATOM 812 CB LEU A 55 2.689 -9.913 -2.133 1.00 0.00 C ATOM 813 CG LEU A 55 3.372 -8.619 -1.685 1.00 0.00 C ATOM 814 CD1 LEU A 55 4.250 -8.048 -2.801 1.00 0.00 C ATOM 815 CD2 LEU A 55 2.345 -7.601 -1.186 1.00 0.00 C ATOM 0 H LEU A 55 3.260 -11.314 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 55 1.167 -9.607 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.456 -10.674 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.225 -9.739 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 55 4.028 -8.852 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.724 -7.129 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.018 -8.774 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.634 -7.834 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.857 -6.691 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.645 -7.367 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.800 -8.019 -0.340 1.00 0.00 H new ATOM 827 N ALA A 56 -0.678 -10.652 -1.866 1.00 0.00 N ATOM 828 CA ALA A 56 -1.832 -11.265 -2.501 1.00 0.00 C ATOM 829 C ALA A 56 -1.478 -11.636 -3.943 1.00 0.00 C ATOM 830 O ALA A 56 -0.507 -11.125 -4.499 1.00 0.00 O ATOM 831 CB ALA A 56 -3.026 -10.311 -2.421 1.00 0.00 C ATOM 0 H ALA A 56 -0.866 -9.758 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.112 -12.182 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.892 -10.771 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.255 -10.102 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.783 -9.380 -2.932 1.00 0.00 H new ATOM 837 N PRO A 57 -2.307 -12.546 -4.522 1.00 0.00 N ATOM 838 CA PRO A 57 -2.091 -12.991 -5.888 1.00 0.00 C ATOM 839 C PRO A 57 -2.516 -11.915 -6.889 1.00 0.00 C ATOM 840 O PRO A 57 -2.190 -12.000 -8.072 1.00 0.00 O ATOM 841 CB PRO A 57 -2.897 -14.273 -6.016 1.00 0.00 C ATOM 842 CG PRO A 57 -3.900 -14.250 -4.874 1.00 0.00 C ATOM 843 CD PRO A 57 -3.466 -13.172 -3.894 1.00 0.00 C ATOM 0 HA PRO A 57 -1.039 -13.173 -6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.404 -14.321 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.251 -15.149 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.902 -14.043 -5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.939 -15.221 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.263 -12.448 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.209 -13.598 -2.924 1.00 0.00 H new ATOM 851 N THR A 58 -3.237 -10.928 -6.378 1.00 0.00 N ATOM 852 CA THR A 58 -3.710 -9.837 -7.213 1.00 0.00 C ATOM 853 C THR A 58 -2.756 -8.644 -7.123 1.00 0.00 C ATOM 854 O THR A 58 -2.609 -7.889 -8.082 1.00 0.00 O ATOM 855 CB THR A 58 -5.141 -9.503 -6.788 1.00 0.00 C ATOM 856 OG1 THR A 58 -5.918 -10.576 -7.314 1.00 0.00 O ATOM 857 CG2 THR A 58 -5.689 -8.264 -7.499 1.00 0.00 C ATOM 0 H THR A 58 -3.505 -10.861 -5.396 1.00 0.00 H new ATOM 0 HA THR A 58 -3.726 -10.122 -8.265 1.00 0.00 H new ATOM 0 HB THR A 58 -5.172 -9.347 -5.710 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.861 -10.441 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.707 -8.071 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.061 -7.404 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.690 -8.433 -8.576 1.00 0.00 H new ATOM 865 N LEU A 59 -2.132 -8.513 -5.961 1.00 0.00 N ATOM 866 CA LEU A 59 -1.196 -7.425 -5.733 1.00 0.00 C ATOM 867 C LEU A 59 0.185 -7.829 -6.253 1.00 0.00 C ATOM 868 O LEU A 59 0.881 -7.022 -6.867 1.00 0.00 O ATOM 869 CB LEU A 59 -1.202 -7.014 -4.259 1.00 0.00 C ATOM 870 CG LEU A 59 -2.579 -6.876 -3.606 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.449 -6.529 -2.122 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.444 -5.864 -4.359 1.00 0.00 C ATOM 0 H LEU A 59 -2.256 -9.142 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.500 -6.538 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.627 -7.748 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.681 -6.061 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.085 -7.839 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.442 -6.437 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.897 -7.318 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.915 -5.585 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.417 -5.785 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.955 -4.890 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.578 -6.195 -5.389 1.00 0.00 H new ATOM 884 N SER A 60 0.540 -9.078 -5.989 1.00 0.00 N ATOM 885 CA SER A 60 1.825 -9.598 -6.423 1.00 0.00 C ATOM 886 C SER A 60 1.938 -9.509 -7.946 1.00 0.00 C ATOM 887 O SER A 60 2.993 -9.159 -8.474 1.00 0.00 O ATOM 888 CB SER A 60 2.019 -11.043 -5.960 1.00 0.00 C ATOM 889 OG SER A 60 3.386 -11.442 -6.012 1.00 0.00 O ATOM 0 H SER A 60 -0.040 -9.745 -5.480 1.00 0.00 H new ATOM 0 HA SER A 60 2.610 -8.992 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.649 -11.150 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.424 -11.707 -6.586 1.00 0.00 H new ATOM 0 HG SER A 60 3.468 -12.370 -5.707 1.00 0.00 H new ATOM 895 N GLN A 61 0.838 -9.832 -8.609 1.00 0.00 N ATOM 896 CA GLN A 61 0.800 -9.793 -10.061 1.00 0.00 C ATOM 897 C GLN A 61 0.861 -8.346 -10.555 1.00 0.00 C ATOM 898 O GLN A 61 1.509 -8.056 -11.560 1.00 0.00 O ATOM 899 CB GLN A 61 -0.445 -10.503 -10.597 1.00 0.00 C ATOM 900 CG GLN A 61 -1.721 -9.818 -10.105 1.00 0.00 C ATOM 901 CD GLN A 61 -2.966 -10.510 -10.665 1.00 0.00 C ATOM 902 OE1 GLN A 61 -3.226 -11.675 -10.410 1.00 0.00 O ATOM 903 NE2 GLN A 61 -3.716 -9.731 -11.438 1.00 0.00 N ATOM 0 H GLN A 61 -0.034 -10.122 -8.167 1.00 0.00 H new ATOM 0 HA GLN A 61 1.673 -10.324 -10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.426 -10.505 -11.687 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.440 -11.545 -10.276 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.750 -9.835 -9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.716 -8.771 -10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.439 -8.764 -11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.568 -10.100 -11.860 1.00 0.00 H new ATOM 912 N LEU A 62 0.178 -7.476 -9.825 1.00 0.00 N ATOM 913 CA LEU A 62 0.147 -6.066 -10.177 1.00 0.00 C ATOM 914 C LEU A 62 1.569 -5.586 -10.470 1.00 0.00 C ATOM 915 O LEU A 62 2.540 -6.250 -10.107 1.00 0.00 O ATOM 916 CB LEU A 62 -0.562 -5.259 -9.087 1.00 0.00 C ATOM 917 CG LEU A 62 -2.067 -5.055 -9.275 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.665 -4.276 -8.103 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.366 -4.388 -10.619 1.00 0.00 C ATOM 0 H LEU A 62 -0.358 -7.720 -8.992 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.435 -5.913 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.400 -5.756 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.088 -4.280 -9.021 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.546 -6.034 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.735 -4.145 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.500 -4.828 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.186 -3.299 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.442 -4.255 -10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.874 -3.416 -10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.995 -5.017 -11.428 1.00 0.00 H new ATOM 931 N ASP A 63 1.649 -4.437 -11.126 1.00 0.00 N ATOM 932 CA ASP A 63 2.936 -3.861 -11.472 1.00 0.00 C ATOM 933 C ASP A 63 3.611 -3.331 -10.206 1.00 0.00 C ATOM 934 O ASP A 63 3.168 -2.337 -9.632 1.00 0.00 O ATOM 935 CB ASP A 63 2.772 -2.692 -12.446 1.00 0.00 C ATOM 936 CG ASP A 63 3.697 -2.730 -13.664 1.00 0.00 C ATOM 937 OD1 ASP A 63 4.845 -3.193 -13.491 1.00 0.00 O ATOM 938 OD2 ASP A 63 3.234 -2.295 -14.741 1.00 0.00 O ATOM 0 H ASP A 63 0.842 -3.890 -11.427 1.00 0.00 H new ATOM 0 HA ASP A 63 3.538 -4.639 -11.941 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.739 -2.671 -12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.946 -1.761 -11.906 1.00 0.00 H new ATOM 943 N ARG A 64 4.671 -4.018 -9.806 1.00 0.00 N ATOM 944 CA ARG A 64 5.411 -3.628 -8.618 1.00 0.00 C ATOM 945 C ARG A 64 5.732 -2.133 -8.659 1.00 0.00 C ATOM 946 O ARG A 64 5.875 -1.497 -7.616 1.00 0.00 O ATOM 947 CB ARG A 64 6.715 -4.420 -8.497 1.00 0.00 C ATOM 948 CG ARG A 64 6.442 -5.864 -8.070 1.00 0.00 C ATOM 949 CD ARG A 64 7.351 -6.273 -6.909 1.00 0.00 C ATOM 950 NE ARG A 64 8.739 -6.450 -7.392 1.00 0.00 N ATOM 951 CZ ARG A 64 9.802 -6.586 -6.587 1.00 0.00 C ATOM 952 NH1 ARG A 64 9.642 -6.566 -5.257 1.00 0.00 N ATOM 953 NH2 ARG A 64 11.024 -6.742 -7.113 1.00 0.00 N ATOM 0 H ARG A 64 5.035 -4.842 -10.284 1.00 0.00 H new ATOM 0 HA ARG A 64 4.786 -3.845 -7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.239 -4.413 -9.453 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.370 -3.940 -7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.398 -5.968 -7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.602 -6.533 -8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.323 -5.512 -6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.991 -7.200 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 64 8.896 -6.470 -8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.711 -6.447 -4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.451 -6.670 -4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.145 -6.757 -8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.833 -6.846 -6.501 1.00 0.00 H new ATOM 967 N ASN A 65 5.835 -1.615 -9.874 1.00 0.00 N ATOM 968 CA ASN A 65 6.137 -0.207 -10.064 1.00 0.00 C ATOM 969 C ASN A 65 4.921 0.492 -10.677 1.00 0.00 C ATOM 970 O ASN A 65 5.067 1.350 -11.546 1.00 0.00 O ATOM 971 CB ASN A 65 7.319 -0.021 -11.017 1.00 0.00 C ATOM 972 CG ASN A 65 7.040 -0.674 -12.372 1.00 0.00 C ATOM 973 OD1 ASN A 65 6.524 -1.776 -12.464 1.00 0.00 O ATOM 974 ND2 ASN A 65 7.408 0.064 -13.415 1.00 0.00 N ATOM 0 H ASN A 65 5.715 -2.146 -10.737 1.00 0.00 H new ATOM 0 HA ASN A 65 6.387 0.219 -9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.515 1.042 -11.155 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.217 -0.456 -10.578 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.263 -0.284 -14.363 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.835 0.979 -13.267 1.00 0.00 H new ATOM 981 N LEU A 66 3.750 0.099 -10.200 1.00 0.00 N ATOM 982 CA LEU A 66 2.510 0.677 -10.690 1.00 0.00 C ATOM 983 C LEU A 66 2.414 2.133 -10.230 1.00 0.00 C ATOM 984 O LEU A 66 2.775 2.456 -9.099 1.00 0.00 O ATOM 985 CB LEU A 66 1.315 -0.181 -10.267 1.00 0.00 C ATOM 986 CG LEU A 66 -0.047 0.249 -10.816 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.516 -0.697 -11.923 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.077 0.372 -9.691 1.00 0.00 C ATOM 0 H LEU A 66 3.633 -0.613 -9.479 1.00 0.00 H new ATOM 0 HA LEU A 66 2.498 0.685 -11.780 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.502 -1.209 -10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.262 -0.183 -9.178 1.00 0.00 H new ATOM 0 HG LEU A 66 0.061 1.237 -11.263 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.486 -0.368 -12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.207 -0.690 -12.738 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.604 -1.708 -11.525 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.036 0.679 -10.108 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.189 -0.591 -9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.740 1.116 -8.969 1.00 0.00 H new ATOM 1000 N ASP A 67 1.926 2.974 -11.130 1.00 0.00 N ATOM 1001 CA ASP A 67 1.779 4.388 -10.831 1.00 0.00 C ATOM 1002 C ASP A 67 0.344 4.661 -10.375 1.00 0.00 C ATOM 1003 O ASP A 67 -0.525 3.800 -10.497 1.00 0.00 O ATOM 1004 CB ASP A 67 2.052 5.244 -12.069 1.00 0.00 C ATOM 1005 CG ASP A 67 1.852 6.748 -11.872 1.00 0.00 C ATOM 1006 OD1 ASP A 67 2.832 7.400 -11.451 1.00 0.00 O ATOM 1007 OD2 ASP A 67 0.725 7.212 -12.148 1.00 0.00 O ATOM 0 H ASP A 67 1.627 2.703 -12.067 1.00 0.00 H new ATOM 0 HA ASP A 67 2.495 4.644 -10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.077 5.069 -12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.400 4.908 -12.875 1.00 0.00 H new