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 4:sc= -0.218 USER MOD Set 1.2: A 49 ASN : amide:sc= -1.25 K(o=-1.5,f=-2.9) 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= -0.277 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0765 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.116 X(o=-0.12,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= -0.428 X(o=-0.43,f=-0.47) USER MOD Single : A 65 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 13 -4.703 9.385 3.843 1.00 0.00 N ATOM 133 CA LEU A 13 -4.458 8.307 2.901 1.00 0.00 C ATOM 134 C LEU A 13 -3.035 8.431 2.351 1.00 0.00 C ATOM 135 O LEU A 13 -2.238 7.501 2.467 1.00 0.00 O ATOM 136 CB LEU A 13 -5.537 8.286 1.817 1.00 0.00 C ATOM 137 CG LEU A 13 -5.845 6.919 1.203 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.099 6.980 0.329 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.637 6.379 0.435 1.00 0.00 C ATOM 0 HA LEU A 13 -4.524 7.341 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.458 8.687 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.233 8.961 1.017 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.051 6.219 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.295 5.995 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.950 7.290 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.946 7.698 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.882 5.406 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.376 7.071 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.791 6.274 1.114 1.00 0.00 H new ATOM 151 N ASP A 14 -2.761 9.586 1.762 1.00 0.00 N ATOM 152 CA ASP A 14 -1.449 9.843 1.194 1.00 0.00 C ATOM 153 C ASP A 14 -0.372 9.391 2.182 1.00 0.00 C ATOM 154 O ASP A 14 0.550 8.666 1.811 1.00 0.00 O ATOM 155 CB ASP A 14 -1.248 11.336 0.925 1.00 0.00 C ATOM 156 CG ASP A 14 -0.250 11.664 -0.187 1.00 0.00 C ATOM 157 OD1 ASP A 14 -0.685 11.658 -1.359 1.00 0.00 O ATOM 158 OD2 ASP A 14 0.924 11.914 0.160 1.00 0.00 O ATOM 0 H ASP A 14 -3.425 10.354 1.666 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.375 9.294 0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.212 11.777 0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.913 11.814 1.846 1.00 0.00 H new ATOM 163 N SER A 15 -0.525 9.837 3.420 1.00 0.00 N ATOM 164 CA SER A 15 0.423 9.487 4.464 1.00 0.00 C ATOM 165 C SER A 15 0.683 7.979 4.451 1.00 0.00 C ATOM 166 O SER A 15 1.812 7.542 4.238 1.00 0.00 O ATOM 167 CB SER A 15 -0.084 9.927 5.838 1.00 0.00 C ATOM 168 OG SER A 15 0.968 10.004 6.796 1.00 0.00 O ATOM 0 H SER A 15 -1.291 10.438 3.724 1.00 0.00 H new ATOM 0 HA SER A 15 1.358 10.012 4.267 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.567 10.900 5.751 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.841 9.225 6.187 1.00 0.00 H new ATOM 0 HG SER A 15 0.604 10.290 7.660 1.00 0.00 H new ATOM 174 N LEU A 16 -0.382 7.226 4.683 1.00 0.00 N ATOM 175 CA LEU A 16 -0.284 5.776 4.701 1.00 0.00 C ATOM 176 C LEU A 16 0.620 5.317 3.555 1.00 0.00 C ATOM 177 O LEU A 16 1.561 4.554 3.769 1.00 0.00 O ATOM 178 CB LEU A 16 -1.677 5.144 4.676 1.00 0.00 C ATOM 179 CG LEU A 16 -2.610 5.533 5.825 1.00 0.00 C ATOM 180 CD1 LEU A 16 -4.002 4.930 5.628 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.005 5.149 7.177 1.00 0.00 C ATOM 0 H LEU A 16 -1.317 7.593 4.860 1.00 0.00 H new ATOM 0 HA LEU A 16 0.178 5.437 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.159 5.412 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.563 4.060 4.678 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.725 6.617 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.646 5.221 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.428 5.295 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.926 3.843 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.688 5.437 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.841 4.072 7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.054 5.665 7.310 1.00 0.00 H new ATOM 193 N ILE A 17 0.302 5.799 2.363 1.00 0.00 N ATOM 194 CA ILE A 17 1.074 5.448 1.183 1.00 0.00 C ATOM 195 C ILE A 17 2.541 5.816 1.410 1.00 0.00 C ATOM 196 O ILE A 17 3.396 4.938 1.520 1.00 0.00 O ATOM 197 CB ILE A 17 0.465 6.088 -0.066 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.920 5.509 -0.360 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.407 5.957 -1.264 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.670 6.369 -1.379 1.00 0.00 C ATOM 0 H ILE A 17 -0.480 6.430 2.189 1.00 0.00 H new ATOM 0 HA ILE A 17 1.038 4.372 1.011 1.00 0.00 H new ATOM 0 HB ILE A 17 0.334 7.153 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.820 4.493 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.496 5.448 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.950 6.420 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.351 6.455 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.593 4.902 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.651 5.935 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.790 7.378 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.104 6.408 -2.309 1.00 0.00 H new ATOM 212 N SER A 18 2.789 7.116 1.473 1.00 0.00 N ATOM 213 CA SER A 18 4.138 7.612 1.685 1.00 0.00 C ATOM 214 C SER A 18 4.828 6.798 2.781 1.00 0.00 C ATOM 215 O SER A 18 5.963 6.353 2.609 1.00 0.00 O ATOM 216 CB SER A 18 4.128 9.097 2.053 1.00 0.00 C ATOM 217 OG SER A 18 5.290 9.472 2.788 1.00 0.00 O ATOM 0 H SER A 18 2.078 7.841 1.381 1.00 0.00 H new ATOM 0 HA SER A 18 4.694 7.501 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.065 9.695 1.144 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.239 9.319 2.643 1.00 0.00 H new ATOM 0 HG SER A 18 5.247 10.427 3.003 1.00 0.00 H new ATOM 223 N GLN A 19 4.115 6.626 3.885 1.00 0.00 N ATOM 224 CA GLN A 19 4.645 5.873 5.009 1.00 0.00 C ATOM 225 C GLN A 19 5.278 4.568 4.522 1.00 0.00 C ATOM 226 O GLN A 19 6.417 4.260 4.868 1.00 0.00 O ATOM 227 CB GLN A 19 3.556 5.601 6.048 1.00 0.00 C ATOM 228 CG GLN A 19 3.209 6.872 6.826 1.00 0.00 C ATOM 229 CD GLN A 19 3.495 6.696 8.319 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.497 7.154 8.843 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.562 6.010 8.971 1.00 0.00 N ATOM 0 H GLN A 19 3.175 6.995 4.025 1.00 0.00 H new ATOM 0 HA GLN A 19 5.419 6.471 5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.663 5.219 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.893 4.828 6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.788 7.710 6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.157 7.116 6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.747 5.655 8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.661 5.839 9.972 1.00 0.00 H new ATOM 240 N VAL A 20 4.511 3.836 3.727 1.00 0.00 N ATOM 241 CA VAL A 20 4.983 2.571 3.190 1.00 0.00 C ATOM 242 C VAL A 20 6.092 2.837 2.171 1.00 0.00 C ATOM 243 O VAL A 20 7.195 2.305 2.295 1.00 0.00 O ATOM 244 CB VAL A 20 3.810 1.782 2.604 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.292 0.479 1.962 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.747 1.507 3.670 1.00 0.00 C ATOM 0 H VAL A 20 3.566 4.095 3.442 1.00 0.00 H new ATOM 0 HA VAL A 20 5.410 1.955 3.982 1.00 0.00 H new ATOM 0 HB VAL A 20 3.353 2.391 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.439 -0.063 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.995 0.707 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.786 -0.136 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.925 0.945 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.187 0.928 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.371 2.452 4.061 1.00 0.00 H new ATOM 256 N LYS A 21 5.763 3.659 1.185 1.00 0.00 N ATOM 257 CA LYS A 21 6.718 4.002 0.146 1.00 0.00 C ATOM 258 C LYS A 21 8.068 4.329 0.787 1.00 0.00 C ATOM 259 O LYS A 21 9.090 3.750 0.421 1.00 0.00 O ATOM 260 CB LYS A 21 6.169 5.124 -0.738 1.00 0.00 C ATOM 261 CG LYS A 21 6.477 4.861 -2.213 1.00 0.00 C ATOM 262 CD LYS A 21 7.345 5.976 -2.799 1.00 0.00 C ATOM 263 CE LYS A 21 7.307 5.954 -4.329 1.00 0.00 C ATOM 264 NZ LYS A 21 8.631 6.314 -4.885 1.00 0.00 N ATOM 0 H LYS A 21 4.848 4.097 1.084 1.00 0.00 H new ATOM 0 HA LYS A 21 6.878 3.153 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.091 5.208 -0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.605 6.076 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.989 3.904 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.546 4.787 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.995 6.943 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.373 5.860 -2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.017 4.963 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.552 6.652 -4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.588 6.294 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.893 7.269 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.343 5.632 -4.555 1.00 0.00 H new ATOM 278 N ASP A 22 8.028 5.257 1.732 1.00 0.00 N ATOM 279 CA ASP A 22 9.236 5.668 2.428 1.00 0.00 C ATOM 280 C ASP A 22 10.038 4.427 2.826 1.00 0.00 C ATOM 281 O ASP A 22 11.268 4.453 2.827 1.00 0.00 O ATOM 282 CB ASP A 22 8.900 6.443 3.703 1.00 0.00 C ATOM 283 CG ASP A 22 9.988 7.408 4.180 1.00 0.00 C ATOM 284 OD1 ASP A 22 9.955 8.571 3.723 1.00 0.00 O ATOM 285 OD2 ASP A 22 10.828 6.960 4.990 1.00 0.00 O ATOM 0 H ASP A 22 7.179 5.736 2.032 1.00 0.00 H new ATOM 0 HA ASP A 22 9.810 6.308 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.983 7.008 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.694 5.729 4.500 1.00 0.00 H new ATOM 290 N LEU A 23 9.309 3.371 3.155 1.00 0.00 N ATOM 291 CA LEU A 23 9.937 2.123 3.554 1.00 0.00 C ATOM 292 C LEU A 23 10.225 1.281 2.309 1.00 0.00 C ATOM 293 O LEU A 23 11.242 0.592 2.243 1.00 0.00 O ATOM 294 CB LEU A 23 9.082 1.404 4.599 1.00 0.00 C ATOM 295 CG LEU A 23 8.759 2.200 5.865 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.069 1.317 6.907 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.014 2.872 6.425 1.00 0.00 C ATOM 0 H LEU A 23 8.289 3.354 3.153 1.00 0.00 H new ATOM 0 HA LEU A 23 10.895 2.315 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.143 1.108 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.595 0.488 4.891 1.00 0.00 H new ATOM 0 HG LEU A 23 8.059 2.993 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.850 1.907 7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.139 0.925 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.725 0.488 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.757 3.431 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.755 2.111 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.425 3.553 5.680 1.00 0.00 H new ATOM 309 N LEU A 24 9.310 1.364 1.354 1.00 0.00 N ATOM 310 CA LEU A 24 9.453 0.618 0.115 1.00 0.00 C ATOM 311 C LEU A 24 9.354 1.581 -1.070 1.00 0.00 C ATOM 312 O LEU A 24 8.338 1.615 -1.763 1.00 0.00 O ATOM 313 CB LEU A 24 8.443 -0.530 0.061 1.00 0.00 C ATOM 314 CG LEU A 24 8.535 -1.559 1.190 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.366 -2.544 1.131 1.00 0.00 C ATOM 316 CD2 LEU A 24 9.888 -2.273 1.172 1.00 0.00 C ATOM 0 H LEU A 24 8.468 1.936 1.413 1.00 0.00 H new ATOM 0 HA LEU A 24 10.436 0.150 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.439 -0.105 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.565 -1.050 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 24 8.463 -1.031 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.456 -3.264 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.427 -2.000 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.382 -3.070 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.927 -2.999 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.015 -2.787 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.687 -1.542 1.299 1.00 0.00 H new ATOM 328 N PRO A 25 10.451 2.359 -1.271 1.00 0.00 N ATOM 329 CA PRO A 25 10.497 3.320 -2.360 1.00 0.00 C ATOM 330 C PRO A 25 10.706 2.618 -3.702 1.00 0.00 C ATOM 331 O PRO A 25 10.271 3.113 -4.741 1.00 0.00 O ATOM 332 CB PRO A 25 11.631 4.267 -2.001 1.00 0.00 C ATOM 333 CG PRO A 25 12.475 3.535 -0.970 1.00 0.00 C ATOM 334 CD PRO A 25 11.671 2.346 -0.470 1.00 0.00 C ATOM 0 HA PRO A 25 9.562 3.867 -2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.222 4.520 -2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.245 5.203 -1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.414 3.202 -1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.729 4.199 -0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.220 1.414 -0.601 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.448 2.438 0.593 1.00 0.00 H new ATOM 342 N ASP A 26 11.373 1.475 -3.638 1.00 0.00 N ATOM 343 CA ASP A 26 11.646 0.699 -4.836 1.00 0.00 C ATOM 344 C ASP A 26 10.341 0.477 -5.603 1.00 0.00 C ATOM 345 O ASP A 26 10.310 0.587 -6.828 1.00 0.00 O ATOM 346 CB ASP A 26 12.227 -0.672 -4.484 1.00 0.00 C ATOM 347 CG ASP A 26 13.749 -0.777 -4.595 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.381 0.288 -4.768 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.247 -1.920 -4.503 1.00 0.00 O ATOM 0 H ASP A 26 11.733 1.067 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 26 12.367 1.252 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.934 -0.923 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.778 -1.419 -5.138 1.00 0.00 H new ATOM 354 N LEU A 27 9.295 0.169 -4.850 1.00 0.00 N ATOM 355 CA LEU A 27 7.990 -0.069 -5.444 1.00 0.00 C ATOM 356 C LEU A 27 7.361 1.269 -5.836 1.00 0.00 C ATOM 357 O LEU A 27 7.823 2.325 -5.408 1.00 0.00 O ATOM 358 CB LEU A 27 7.120 -0.907 -4.506 1.00 0.00 C ATOM 359 CG LEU A 27 7.633 -2.314 -4.191 1.00 0.00 C ATOM 360 CD1 LEU A 27 6.917 -2.900 -2.973 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.520 -3.225 -5.415 1.00 0.00 C ATOM 0 H LEU A 27 9.324 0.079 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 27 8.088 -0.655 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.007 -0.365 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.126 -0.994 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 27 8.691 -2.243 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.301 -3.900 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.092 -2.263 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.847 -2.955 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.891 -4.219 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.476 -3.294 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.112 -2.812 -6.232 1.00 0.00 H new ATOM 373 N GLY A 28 6.316 1.181 -6.645 1.00 0.00 N ATOM 374 CA GLY A 28 5.618 2.371 -7.100 1.00 0.00 C ATOM 375 C GLY A 28 4.343 2.603 -6.287 1.00 0.00 C ATOM 376 O GLY A 28 3.643 1.654 -5.939 1.00 0.00 O ATOM 0 H GLY A 28 5.935 0.303 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.273 3.238 -7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.367 2.268 -8.156 1.00 0.00 H new ATOM 380 N GLU A 29 4.079 3.872 -6.008 1.00 0.00 N ATOM 381 CA GLU A 29 2.900 4.241 -5.243 1.00 0.00 C ATOM 382 C GLU A 29 1.671 3.500 -5.772 1.00 0.00 C ATOM 383 O GLU A 29 0.931 2.889 -5.003 1.00 0.00 O ATOM 384 CB GLU A 29 2.682 5.755 -5.269 1.00 0.00 C ATOM 385 CG GLU A 29 3.372 6.429 -4.082 1.00 0.00 C ATOM 386 CD GLU A 29 3.316 7.953 -4.207 1.00 0.00 C ATOM 387 OE1 GLU A 29 3.870 8.461 -5.206 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.719 8.575 -3.302 1.00 0.00 O ATOM 0 H GLU A 29 4.662 4.657 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 29 3.057 3.948 -4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.070 6.166 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.614 5.973 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.892 6.119 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.411 6.103 -4.028 1.00 0.00 H new ATOM 395 N GLY A 30 1.491 3.578 -7.083 1.00 0.00 N ATOM 396 CA GLY A 30 0.364 2.922 -7.724 1.00 0.00 C ATOM 397 C GLY A 30 0.103 1.548 -7.103 1.00 0.00 C ATOM 398 O GLY A 30 -1.043 1.194 -6.830 1.00 0.00 O ATOM 0 H GLY A 30 2.107 4.086 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.526 3.544 -7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.561 2.811 -8.790 1.00 0.00 H new ATOM 402 N PHE A 31 1.185 0.812 -6.899 1.00 0.00 N ATOM 403 CA PHE A 31 1.088 -0.515 -6.315 1.00 0.00 C ATOM 404 C PHE A 31 0.916 -0.436 -4.797 1.00 0.00 C ATOM 405 O PHE A 31 0.268 -1.292 -4.197 1.00 0.00 O ATOM 406 CB PHE A 31 2.399 -1.239 -6.630 1.00 0.00 C ATOM 407 CG PHE A 31 2.620 -2.511 -5.809 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.093 -3.692 -6.230 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.344 -2.461 -4.659 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.299 -4.873 -5.468 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.549 -3.641 -3.897 1.00 0.00 C ATOM 412 CZ PHE A 31 3.022 -4.822 -4.317 1.00 0.00 C ATOM 0 H PHE A 31 2.134 1.109 -7.128 1.00 0.00 H new ATOM 0 HA PHE A 31 0.224 -1.039 -6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.415 -1.495 -7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.230 -0.556 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.518 -3.732 -7.143 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.763 -1.523 -4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.882 -5.811 -5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.124 -3.601 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.177 -5.719 -3.737 1.00 0.00 H new ATOM 422 N ILE A 32 1.507 0.600 -4.220 1.00 0.00 N ATOM 423 CA ILE A 32 1.426 0.802 -2.783 1.00 0.00 C ATOM 424 C ILE A 32 -0.004 1.193 -2.407 1.00 0.00 C ATOM 425 O ILE A 32 -0.502 0.799 -1.353 1.00 0.00 O ATOM 426 CB ILE A 32 2.480 1.812 -2.325 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.889 1.337 -2.687 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.342 2.109 -0.830 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.896 2.484 -2.588 1.00 0.00 C ATOM 0 H ILE A 32 2.044 1.308 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 32 1.653 -0.124 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 32 2.309 2.748 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.187 0.528 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.891 0.932 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.103 2.830 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.353 2.522 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.472 1.187 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.889 2.120 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.609 3.281 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.909 2.870 -1.569 1.00 0.00 H new ATOM 441 N LEU A 33 -0.625 1.962 -3.289 1.00 0.00 N ATOM 442 CA LEU A 33 -1.989 2.410 -3.063 1.00 0.00 C ATOM 443 C LEU A 33 -2.939 1.216 -3.181 1.00 0.00 C ATOM 444 O LEU A 33 -3.747 0.971 -2.286 1.00 0.00 O ATOM 445 CB LEU A 33 -2.336 3.567 -4.001 1.00 0.00 C ATOM 446 CG LEU A 33 -3.806 3.990 -4.030 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.641 3.016 -4.862 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.357 4.152 -2.612 1.00 0.00 C ATOM 0 H LEU A 33 -0.209 2.286 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.097 2.806 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.736 4.431 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.038 3.290 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.872 4.964 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.682 3.340 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.264 2.995 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.574 2.018 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.403 4.453 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.276 3.204 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.784 4.914 -2.084 1.00 0.00 H new ATOM 460 N ALA A 34 -2.811 0.506 -4.292 1.00 0.00 N ATOM 461 CA ALA A 34 -3.649 -0.656 -4.538 1.00 0.00 C ATOM 462 C ALA A 34 -3.615 -1.572 -3.314 1.00 0.00 C ATOM 463 O ALA A 34 -4.658 -1.909 -2.757 1.00 0.00 O ATOM 464 CB ALA A 34 -3.178 -1.364 -5.810 1.00 0.00 C ATOM 0 H ALA A 34 -2.140 0.713 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.685 -0.356 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.806 -2.236 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.249 -0.679 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.143 -1.682 -5.687 1.00 0.00 H new ATOM 470 N CYS A 35 -2.404 -1.950 -2.931 1.00 0.00 N ATOM 471 CA CYS A 35 -2.220 -2.822 -1.783 1.00 0.00 C ATOM 472 C CYS A 35 -3.009 -2.241 -0.607 1.00 0.00 C ATOM 473 O CYS A 35 -3.967 -2.851 -0.136 1.00 0.00 O ATOM 474 CB CYS A 35 -0.740 -3.004 -1.442 1.00 0.00 C ATOM 475 SG CYS A 35 0.001 -4.276 -2.529 1.00 0.00 S ATOM 0 H CYS A 35 -1.541 -1.668 -3.395 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.597 -3.818 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.212 -2.058 -1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.632 -3.298 -0.398 1.00 0.00 H new ATOM 0 HG CYS A 35 1.205 -3.916 -2.860 1.00 0.00 H new ATOM 481 N LEU A 36 -2.576 -1.068 -0.168 1.00 0.00 N ATOM 482 CA LEU A 36 -3.230 -0.398 0.943 1.00 0.00 C ATOM 483 C LEU A 36 -4.745 -0.563 0.813 1.00 0.00 C ATOM 484 O LEU A 36 -5.395 -1.094 1.713 1.00 0.00 O ATOM 485 CB LEU A 36 -2.776 1.061 1.031 1.00 0.00 C ATOM 486 CG LEU A 36 -1.428 1.304 1.713 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.732 2.534 1.127 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.592 1.407 3.230 1.00 0.00 C ATOM 0 H LEU A 36 -1.781 -0.565 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.939 -0.856 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.728 1.467 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.539 1.626 1.566 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.786 0.446 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.224 2.685 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.562 2.383 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.361 3.412 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.619 1.580 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.259 2.236 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.015 0.479 3.614 1.00 0.00 H new ATOM 500 N GLU A 37 -5.265 -0.099 -0.314 1.00 0.00 N ATOM 501 CA GLU A 37 -6.691 -0.190 -0.574 1.00 0.00 C ATOM 502 C GLU A 37 -7.208 -1.586 -0.220 1.00 0.00 C ATOM 503 O GLU A 37 -8.247 -1.722 0.424 1.00 0.00 O ATOM 504 CB GLU A 37 -7.007 0.159 -2.030 1.00 0.00 C ATOM 505 CG GLU A 37 -6.951 1.671 -2.256 1.00 0.00 C ATOM 506 CD GLU A 37 -7.758 2.070 -3.494 1.00 0.00 C ATOM 507 OE1 GLU A 37 -7.233 1.855 -4.607 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.882 2.582 -3.298 1.00 0.00 O ATOM 0 H GLU A 37 -4.723 0.341 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.202 0.536 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.295 -0.337 -2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.997 -0.215 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.342 2.188 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.915 1.986 -2.376 1.00 0.00 H new ATOM 515 N TYR A 38 -6.458 -2.587 -0.655 1.00 0.00 N ATOM 516 CA TYR A 38 -6.827 -3.968 -0.392 1.00 0.00 C ATOM 517 C TYR A 38 -6.593 -4.328 1.076 1.00 0.00 C ATOM 518 O TYR A 38 -7.323 -5.138 1.644 1.00 0.00 O ATOM 519 CB TYR A 38 -5.910 -4.824 -1.268 1.00 0.00 C ATOM 520 CG TYR A 38 -6.232 -6.319 -1.231 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.946 -7.059 -0.101 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.808 -6.928 -2.327 1.00 0.00 C ATOM 523 CE1 TYR A 38 -6.249 -8.466 -0.067 1.00 0.00 C ATOM 524 CE2 TYR A 38 -7.112 -8.335 -2.292 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.817 -9.035 -1.164 1.00 0.00 C ATOM 526 OH TYR A 38 -7.103 -10.364 -1.131 1.00 0.00 O ATOM 0 H TYR A 38 -5.596 -2.470 -1.188 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.883 -4.131 -0.608 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.978 -4.474 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.878 -4.677 -0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.495 -6.583 0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.031 -6.349 -3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.030 -9.057 0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.564 -8.823 -3.142 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.506 -10.633 -1.983 1.00 0.00 H new ATOM 536 N TYR A 39 -5.572 -3.707 1.649 1.00 0.00 N ATOM 537 CA TYR A 39 -5.232 -3.952 3.040 1.00 0.00 C ATOM 538 C TYR A 39 -5.883 -2.912 3.954 1.00 0.00 C ATOM 539 O TYR A 39 -5.231 -2.367 4.843 1.00 0.00 O ATOM 540 CB TYR A 39 -3.711 -3.815 3.133 1.00 0.00 C ATOM 541 CG TYR A 39 -2.942 -4.967 2.484 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.064 -6.248 2.984 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.125 -4.726 1.398 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.340 -7.332 2.373 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.401 -5.810 0.786 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.544 -7.059 1.304 1.00 0.00 C ATOM 547 OH TYR A 39 -0.860 -8.083 0.726 1.00 0.00 O ATOM 0 H TYR A 39 -4.969 -3.035 1.175 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.583 -4.935 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.411 -2.880 2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.426 -3.747 4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.703 -6.437 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.029 -3.724 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.427 -8.339 2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.759 -5.635 -0.065 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.107 -8.927 1.159 1.00 0.00 H new ATOM 557 N HIS A 40 -7.161 -2.669 3.705 1.00 0.00 N ATOM 558 CA HIS A 40 -7.908 -1.704 4.495 1.00 0.00 C ATOM 559 C HIS A 40 -7.019 -0.499 4.806 1.00 0.00 C ATOM 560 O HIS A 40 -6.992 -0.019 5.938 1.00 0.00 O ATOM 561 CB HIS A 40 -8.481 -2.360 5.753 1.00 0.00 C ATOM 562 CG HIS A 40 -9.301 -3.598 5.482 1.00 0.00 C ATOM 563 ND1 HIS A 40 -10.597 -3.548 4.998 1.00 0.00 N ATOM 564 CD2 HIS A 40 -8.996 -4.919 5.630 1.00 0.00 C ATOM 565 CE1 HIS A 40 -11.042 -4.789 4.866 1.00 0.00 C ATOM 566 NE2 HIS A 40 -10.049 -5.637 5.259 1.00 0.00 N ATOM 0 H HIS A 40 -7.699 -3.124 2.967 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.763 -1.343 3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.660 -2.620 6.421 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.101 -1.634 6.278 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.057 -5.314 5.988 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.020 -5.078 4.510 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.106 -6.655 5.267 1.00 0.00 H new ATOM 574 N TYR A 41 -6.313 -0.044 3.781 1.00 0.00 N ATOM 575 CA TYR A 41 -5.425 1.096 3.931 1.00 0.00 C ATOM 576 C TYR A 41 -4.575 0.967 5.197 1.00 0.00 C ATOM 577 O TYR A 41 -4.748 1.731 6.145 1.00 0.00 O ATOM 578 CB TYR A 41 -6.331 2.322 4.063 1.00 0.00 C ATOM 579 CG TYR A 41 -7.063 2.696 2.772 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.359 3.221 1.708 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.426 2.509 2.672 1.00 0.00 C ATOM 582 CE1 TYR A 41 -7.047 3.574 0.493 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.115 2.861 1.457 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.391 3.376 0.428 1.00 0.00 C ATOM 585 OH TYR A 41 -9.041 3.709 -0.720 1.00 0.00 O ATOM 0 H TYR A 41 -6.338 -0.444 2.843 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.746 1.167 3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.067 2.135 4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.730 3.172 4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.292 3.367 1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.977 2.098 3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.508 3.986 -0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.182 2.719 1.366 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.996 3.512 -0.624 1.00 0.00 H new ATOM 595 N ASP A 42 -3.677 -0.006 5.171 1.00 0.00 N ATOM 596 CA ASP A 42 -2.800 -0.245 6.305 1.00 0.00 C ATOM 597 C ASP A 42 -1.359 -0.386 5.810 1.00 0.00 C ATOM 598 O ASP A 42 -1.076 -1.204 4.936 1.00 0.00 O ATOM 599 CB ASP A 42 -3.178 -1.538 7.031 1.00 0.00 C ATOM 600 CG ASP A 42 -3.197 -1.441 8.558 1.00 0.00 C ATOM 601 OD1 ASP A 42 -2.495 -0.547 9.078 1.00 0.00 O ATOM 602 OD2 ASP A 42 -3.913 -2.262 9.170 1.00 0.00 O ATOM 0 H ASP A 42 -3.537 -0.638 4.383 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.899 0.597 6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.164 -1.853 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.475 -2.319 6.740 1.00 0.00 H new ATOM 607 N PRO A 43 -0.463 0.447 6.404 1.00 0.00 N ATOM 608 CA PRO A 43 0.941 0.423 6.032 1.00 0.00 C ATOM 609 C PRO A 43 1.643 -0.805 6.616 1.00 0.00 C ATOM 610 O PRO A 43 2.641 -1.272 6.071 1.00 0.00 O ATOM 611 CB PRO A 43 1.508 1.734 6.553 1.00 0.00 C ATOM 612 CG PRO A 43 0.520 2.230 7.596 1.00 0.00 C ATOM 613 CD PRO A 43 -0.762 1.429 7.442 1.00 0.00 C ATOM 0 HA PRO A 43 1.089 0.339 4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.496 1.586 6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.621 2.459 5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.929 2.106 8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.324 3.294 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.041 0.944 8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.596 2.068 7.154 1.00 0.00 H new ATOM 621 N GLU A 44 1.092 -1.293 7.718 1.00 0.00 N ATOM 622 CA GLU A 44 1.652 -2.458 8.382 1.00 0.00 C ATOM 623 C GLU A 44 1.347 -3.724 7.579 1.00 0.00 C ATOM 624 O GLU A 44 2.255 -4.479 7.235 1.00 0.00 O ATOM 625 CB GLU A 44 1.129 -2.577 9.815 1.00 0.00 C ATOM 626 CG GLU A 44 1.296 -4.003 10.343 1.00 0.00 C ATOM 627 CD GLU A 44 1.769 -3.997 11.798 1.00 0.00 C ATOM 628 OE1 GLU A 44 2.891 -3.498 12.028 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.997 -4.492 12.647 1.00 0.00 O ATOM 0 H GLU A 44 0.264 -0.903 8.168 1.00 0.00 H new ATOM 0 HA GLU A 44 2.734 -2.337 8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.665 -1.881 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.077 -2.295 9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.348 -4.536 10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.015 -4.541 9.725 1.00 0.00 H new ATOM 636 N GLN A 45 0.065 -3.918 7.305 1.00 0.00 N ATOM 637 CA GLN A 45 -0.371 -5.079 6.549 1.00 0.00 C ATOM 638 C GLN A 45 0.468 -5.232 5.279 1.00 0.00 C ATOM 639 O GLN A 45 1.001 -6.307 5.008 1.00 0.00 O ATOM 640 CB GLN A 45 -1.861 -4.988 6.214 1.00 0.00 C ATOM 641 CG GLN A 45 -2.718 -5.175 7.468 1.00 0.00 C ATOM 642 CD GLN A 45 -4.030 -5.887 7.135 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.182 -7.083 7.321 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.967 -5.087 6.633 1.00 0.00 N ATOM 0 H GLN A 45 -0.686 -3.290 7.593 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.225 -5.965 7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.077 -4.020 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.119 -5.748 5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.164 -5.753 8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.931 -4.204 7.916 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.774 -4.094 6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.879 -5.467 6.378 1.00 0.00 H new ATOM 653 N VAL A 46 0.558 -4.141 4.533 1.00 0.00 N ATOM 654 CA VAL A 46 1.323 -4.140 3.298 1.00 0.00 C ATOM 655 C VAL A 46 2.740 -4.643 3.580 1.00 0.00 C ATOM 656 O VAL A 46 3.188 -5.619 2.980 1.00 0.00 O ATOM 657 CB VAL A 46 1.298 -2.746 2.667 1.00 0.00 C ATOM 658 CG1 VAL A 46 2.104 -2.717 1.367 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.139 -2.277 2.432 1.00 0.00 C ATOM 0 H VAL A 46 0.114 -3.251 4.760 1.00 0.00 H new ATOM 0 HA VAL A 46 0.876 -4.819 2.572 1.00 0.00 H new ATOM 0 HB VAL A 46 1.767 -2.054 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.069 -1.715 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.139 -2.987 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.678 -3.428 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.129 -1.284 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.644 -2.973 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.670 -2.240 3.383 1.00 0.00 H new ATOM 669 N ILE A 47 3.408 -3.953 4.494 1.00 0.00 N ATOM 670 CA ILE A 47 4.765 -4.317 4.863 1.00 0.00 C ATOM 671 C ILE A 47 4.782 -5.764 5.361 1.00 0.00 C ATOM 672 O ILE A 47 5.393 -6.631 4.739 1.00 0.00 O ATOM 673 CB ILE A 47 5.334 -3.314 5.867 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.455 -1.922 5.244 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.667 -3.804 6.437 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.779 -0.871 6.307 1.00 0.00 C ATOM 0 H ILE A 47 3.034 -3.144 4.990 1.00 0.00 H new ATOM 0 HA ILE A 47 5.422 -4.271 3.995 1.00 0.00 H new ATOM 0 HB ILE A 47 4.637 -3.234 6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.235 -1.927 4.483 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.523 -1.662 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.050 -3.072 7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.518 -4.758 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.384 -3.932 5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.859 0.109 5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.985 -0.851 7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.724 -1.121 6.789 1.00 0.00 H new ATOM 688 N ASN A 48 4.106 -5.979 6.480 1.00 0.00 N ATOM 689 CA ASN A 48 4.036 -7.305 7.069 1.00 0.00 C ATOM 690 C ASN A 48 3.866 -8.344 5.958 1.00 0.00 C ATOM 691 O ASN A 48 4.580 -9.345 5.926 1.00 0.00 O ATOM 692 CB ASN A 48 2.839 -7.425 8.015 1.00 0.00 C ATOM 693 CG ASN A 48 3.296 -7.469 9.475 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.122 -8.451 10.177 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.889 -6.353 9.889 1.00 0.00 N ATOM 0 H ASN A 48 3.602 -5.257 6.994 1.00 0.00 H new ATOM 0 HA ASN A 48 4.956 -7.474 7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.167 -6.580 7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.274 -8.327 7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.231 -6.282 10.847 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.002 -5.568 9.248 1.00 0.00 H new ATOM 702 N ASN A 49 2.918 -8.069 5.075 1.00 0.00 N ATOM 703 CA ASN A 49 2.646 -8.967 3.966 1.00 0.00 C ATOM 704 C ASN A 49 3.917 -9.142 3.133 1.00 0.00 C ATOM 705 O ASN A 49 4.528 -10.210 3.144 1.00 0.00 O ATOM 706 CB ASN A 49 1.557 -8.401 3.052 1.00 0.00 C ATOM 707 CG ASN A 49 0.181 -8.950 3.434 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.310 -9.914 2.869 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.413 -8.284 4.420 1.00 0.00 N ATOM 0 H ASN A 49 2.329 -7.237 5.105 1.00 0.00 H new ATOM 0 HA ASN A 49 2.312 -9.919 4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.550 -7.313 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.779 -8.655 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.335 -8.572 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.054 -7.485 4.850 1.00 0.00 H new ATOM 716 N ILE A 50 4.278 -8.078 2.432 1.00 0.00 N ATOM 717 CA ILE A 50 5.466 -8.100 1.595 1.00 0.00 C ATOM 718 C ILE A 50 6.590 -8.829 2.333 1.00 0.00 C ATOM 719 O ILE A 50 7.321 -9.618 1.736 1.00 0.00 O ATOM 720 CB ILE A 50 5.837 -6.683 1.154 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.714 -6.055 0.326 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.173 -6.674 0.408 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.686 -4.536 0.505 1.00 0.00 C ATOM 0 H ILE A 50 3.769 -7.194 2.426 1.00 0.00 H new ATOM 0 HA ILE A 50 5.275 -8.655 0.676 1.00 0.00 H new ATOM 0 HB ILE A 50 5.962 -6.069 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.854 -6.298 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.755 -6.478 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.414 -5.655 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.958 -7.053 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.100 -7.307 -0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.879 -4.114 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.522 -4.296 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.637 -4.114 0.181 1.00 0.00 H new ATOM 735 N LEU A 51 6.695 -8.539 3.622 1.00 0.00 N ATOM 736 CA LEU A 51 7.718 -9.157 4.448 1.00 0.00 C ATOM 737 C LEU A 51 7.481 -10.667 4.501 1.00 0.00 C ATOM 738 O LEU A 51 8.401 -11.452 4.279 1.00 0.00 O ATOM 739 CB LEU A 51 7.768 -8.493 5.825 1.00 0.00 C ATOM 740 CG LEU A 51 8.903 -7.491 6.046 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.719 -6.736 7.364 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.266 -8.180 5.965 1.00 0.00 C ATOM 0 H LEU A 51 6.088 -7.884 4.114 1.00 0.00 H new ATOM 0 HA LEU A 51 8.705 -9.004 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.820 -7.982 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.848 -9.275 6.581 1.00 0.00 H new ATOM 0 HG LEU A 51 8.868 -6.753 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.539 -6.030 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.774 -6.194 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.713 -7.445 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.055 -7.445 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.329 -8.953 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.387 -8.633 4.981 1.00 0.00 H new ATOM 754 N GLU A 52 6.241 -11.029 4.798 1.00 0.00 N ATOM 755 CA GLU A 52 5.871 -12.432 4.884 1.00 0.00 C ATOM 756 C GLU A 52 5.660 -13.011 3.484 1.00 0.00 C ATOM 757 O GLU A 52 5.287 -14.175 3.340 1.00 0.00 O ATOM 758 CB GLU A 52 4.622 -12.617 5.749 1.00 0.00 C ATOM 759 CG GLU A 52 4.869 -12.134 7.179 1.00 0.00 C ATOM 760 CD GLU A 52 4.861 -13.307 8.163 1.00 0.00 C ATOM 761 OE1 GLU A 52 3.847 -14.038 8.166 1.00 0.00 O ATOM 762 OE2 GLU A 52 5.869 -13.445 8.889 1.00 0.00 O ATOM 0 H GLU A 52 5.480 -10.375 4.982 1.00 0.00 H new ATOM 0 HA GLU A 52 6.687 -12.975 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.789 -12.065 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.336 -13.669 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.827 -11.617 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.102 -11.413 7.461 1.00 0.00 H new ATOM 769 N GLU A 53 5.907 -12.174 2.488 1.00 0.00 N ATOM 770 CA GLU A 53 5.749 -12.589 1.104 1.00 0.00 C ATOM 771 C GLU A 53 4.352 -13.172 0.882 1.00 0.00 C ATOM 772 O GLU A 53 4.161 -14.022 0.013 1.00 0.00 O ATOM 773 CB GLU A 53 6.832 -13.593 0.706 1.00 0.00 C ATOM 774 CG GLU A 53 8.151 -12.883 0.396 1.00 0.00 C ATOM 775 CD GLU A 53 9.197 -13.174 1.475 1.00 0.00 C ATOM 776 OE1 GLU A 53 9.393 -14.373 1.766 1.00 0.00 O ATOM 777 OE2 GLU A 53 9.776 -12.190 1.984 1.00 0.00 O ATOM 0 H GLU A 53 6.216 -11.210 2.611 1.00 0.00 H new ATOM 0 HA GLU A 53 5.861 -11.712 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.982 -14.310 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.506 -14.159 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.524 -13.209 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.982 -11.808 0.328 1.00 0.00 H new ATOM 784 N ARG A 54 3.411 -12.691 1.681 1.00 0.00 N ATOM 785 CA ARG A 54 2.037 -13.154 1.582 1.00 0.00 C ATOM 786 C ARG A 54 1.229 -12.228 0.670 1.00 0.00 C ATOM 787 O ARG A 54 0.001 -12.201 0.738 1.00 0.00 O ATOM 788 CB ARG A 54 1.373 -13.208 2.960 1.00 0.00 C ATOM 789 CG ARG A 54 2.172 -14.093 3.918 1.00 0.00 C ATOM 790 CD ARG A 54 2.140 -15.556 3.470 1.00 0.00 C ATOM 791 NE ARG A 54 0.755 -16.075 3.536 1.00 0.00 N ATOM 792 CZ ARG A 54 0.380 -17.274 3.070 1.00 0.00 C ATOM 793 NH1 ARG A 54 1.282 -18.085 2.502 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.899 -17.663 3.174 1.00 0.00 N ATOM 0 H ARG A 54 3.573 -11.986 2.400 1.00 0.00 H new ATOM 0 HA ARG A 54 2.055 -14.159 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.294 -12.201 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.358 -13.593 2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.204 -13.746 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.762 -14.008 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.521 -15.642 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.792 -16.154 4.106 1.00 0.00 H new ATOM 0 HE ARG A 54 0.042 -15.483 3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.255 -17.790 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.996 -18.998 2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.586 -17.046 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.185 -18.576 2.819 1.00 0.00 H new ATOM 808 N LEU A 55 1.951 -11.492 -0.161 1.00 0.00 N ATOM 809 CA LEU A 55 1.317 -10.567 -1.085 1.00 0.00 C ATOM 810 C LEU A 55 0.273 -11.317 -1.914 1.00 0.00 C ATOM 811 O LEU A 55 0.592 -12.302 -2.578 1.00 0.00 O ATOM 812 CB LEU A 55 2.370 -9.846 -1.929 1.00 0.00 C ATOM 813 CG LEU A 55 3.065 -8.657 -1.263 1.00 0.00 C ATOM 814 CD1 LEU A 55 4.136 -8.063 -2.180 1.00 0.00 C ATOM 815 CD2 LEU A 55 2.046 -7.606 -0.816 1.00 0.00 C ATOM 0 H LEU A 55 2.969 -11.517 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 55 0.790 -9.785 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.131 -10.570 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.895 -9.497 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 55 3.572 -9.016 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.614 -7.220 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.884 -8.823 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.674 -7.723 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.566 -6.772 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.491 -7.246 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.354 -8.051 -0.101 1.00 0.00 H new ATOM 827 N ALA A 56 -0.955 -10.822 -1.849 1.00 0.00 N ATOM 828 CA ALA A 56 -2.048 -11.433 -2.586 1.00 0.00 C ATOM 829 C ALA A 56 -1.595 -11.720 -4.018 1.00 0.00 C ATOM 830 O ALA A 56 -0.671 -11.081 -4.521 1.00 0.00 O ATOM 831 CB ALA A 56 -3.273 -10.518 -2.534 1.00 0.00 C ATOM 0 H ALA A 56 -1.217 -10.005 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.331 -12.383 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.093 -10.976 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.573 -10.370 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.027 -9.555 -2.982 1.00 0.00 H new ATOM 837 N PRO A 57 -2.283 -12.706 -4.653 1.00 0.00 N ATOM 838 CA PRO A 57 -1.961 -13.086 -6.018 1.00 0.00 C ATOM 839 C PRO A 57 -2.473 -12.042 -7.012 1.00 0.00 C ATOM 840 O PRO A 57 -2.113 -12.070 -8.188 1.00 0.00 O ATOM 841 CB PRO A 57 -2.601 -14.451 -6.208 1.00 0.00 C ATOM 842 CG PRO A 57 -3.643 -14.580 -5.110 1.00 0.00 C ATOM 843 CD PRO A 57 -3.383 -13.484 -4.089 1.00 0.00 C ATOM 0 HA PRO A 57 -0.887 -13.136 -6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.060 -14.533 -7.193 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.857 -15.244 -6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.647 -14.486 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.583 -15.562 -4.640 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.268 -12.866 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.116 -13.902 -3.118 1.00 0.00 H new ATOM 851 N THR A 58 -3.304 -11.144 -6.504 1.00 0.00 N ATOM 852 CA THR A 58 -3.869 -10.093 -7.332 1.00 0.00 C ATOM 853 C THR A 58 -2.988 -8.843 -7.282 1.00 0.00 C ATOM 854 O THR A 58 -2.935 -8.078 -8.244 1.00 0.00 O ATOM 855 CB THR A 58 -5.305 -9.843 -6.866 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.053 -10.897 -7.468 1.00 0.00 O ATOM 857 CG2 THR A 58 -5.903 -8.570 -7.468 1.00 0.00 C ATOM 0 H THR A 58 -3.600 -11.123 -5.528 1.00 0.00 H new ATOM 0 HA THR A 58 -3.900 -10.390 -8.380 1.00 0.00 H new ATOM 0 HB THR A 58 -5.327 -9.775 -5.778 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.997 -10.813 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.922 -8.440 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.301 -7.711 -7.174 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.913 -8.651 -8.555 1.00 0.00 H new ATOM 865 N LEU A 59 -2.319 -8.675 -6.151 1.00 0.00 N ATOM 866 CA LEU A 59 -1.443 -7.531 -5.963 1.00 0.00 C ATOM 867 C LEU A 59 -0.029 -7.896 -6.419 1.00 0.00 C ATOM 868 O LEU A 59 0.636 -7.105 -7.086 1.00 0.00 O ATOM 869 CB LEU A 59 -1.514 -7.033 -4.518 1.00 0.00 C ATOM 870 CG LEU A 59 -2.917 -6.894 -3.925 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.855 -6.714 -2.407 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.690 -5.762 -4.605 1.00 0.00 C ATOM 0 H LEU A 59 -2.366 -9.312 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.771 -6.695 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.942 -7.716 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.021 -6.063 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.462 -7.818 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.866 -6.618 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.370 -7.580 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.285 -5.816 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.684 -5.685 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.157 -4.822 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.781 -5.972 -5.671 1.00 0.00 H new ATOM 884 N SER A 60 0.389 -9.095 -6.041 1.00 0.00 N ATOM 885 CA SER A 60 1.712 -9.575 -6.403 1.00 0.00 C ATOM 886 C SER A 60 1.873 -9.568 -7.925 1.00 0.00 C ATOM 887 O SER A 60 2.980 -9.403 -8.434 1.00 0.00 O ATOM 888 CB SER A 60 1.958 -10.980 -5.850 1.00 0.00 C ATOM 889 OG SER A 60 3.348 -11.282 -5.758 1.00 0.00 O ATOM 0 H SER A 60 -0.165 -9.749 -5.488 1.00 0.00 H new ATOM 0 HA SER A 60 2.451 -8.906 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.502 -11.066 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.469 -11.713 -6.492 1.00 0.00 H new ATOM 0 HG SER A 60 3.463 -12.187 -5.399 1.00 0.00 H new ATOM 895 N GLN A 61 0.752 -9.748 -8.608 1.00 0.00 N ATOM 896 CA GLN A 61 0.755 -9.764 -10.060 1.00 0.00 C ATOM 897 C GLN A 61 0.804 -8.336 -10.607 1.00 0.00 C ATOM 898 O GLN A 61 1.390 -8.090 -11.660 1.00 0.00 O ATOM 899 CB GLN A 61 -0.461 -10.517 -10.603 1.00 0.00 C ATOM 900 CG GLN A 61 -1.763 -9.865 -10.135 1.00 0.00 C ATOM 901 CD GLN A 61 -2.967 -10.455 -10.872 1.00 0.00 C ATOM 902 OE1 GLN A 61 -3.072 -11.652 -11.087 1.00 0.00 O ATOM 903 NE2 GLN A 61 -3.868 -9.551 -11.247 1.00 0.00 N ATOM 0 H GLN A 61 -0.165 -9.884 -8.182 1.00 0.00 H new ATOM 0 HA GLN A 61 1.648 -10.292 -10.396 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.428 -10.531 -11.692 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.429 -11.554 -10.270 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.882 -10.011 -9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.718 -8.790 -10.307 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.719 -8.564 -11.036 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.708 -9.845 -11.746 1.00 0.00 H new ATOM 912 N LEU A 62 0.181 -7.431 -9.866 1.00 0.00 N ATOM 913 CA LEU A 62 0.146 -6.034 -10.263 1.00 0.00 C ATOM 914 C LEU A 62 1.576 -5.531 -10.470 1.00 0.00 C ATOM 915 O LEU A 62 2.526 -6.120 -9.955 1.00 0.00 O ATOM 916 CB LEU A 62 -0.656 -5.210 -9.254 1.00 0.00 C ATOM 917 CG LEU A 62 -2.165 -5.140 -9.493 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.858 -4.332 -8.395 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.475 -4.595 -10.889 1.00 0.00 C ATOM 0 H LEU A 62 -0.304 -7.638 -8.993 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.373 -5.922 -11.215 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.485 -5.623 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.261 -4.194 -9.250 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.565 -6.153 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.930 -4.298 -8.590 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.679 -4.803 -7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.459 -3.318 -8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.555 -4.556 -11.033 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.059 -3.593 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.032 -5.248 -11.641 1.00 0.00 H new ATOM 931 N ASP A 63 1.685 -4.447 -11.224 1.00 0.00 N ATOM 932 CA ASP A 63 2.984 -3.858 -11.505 1.00 0.00 C ATOM 933 C ASP A 63 3.616 -3.380 -10.196 1.00 0.00 C ATOM 934 O ASP A 63 3.127 -2.439 -9.574 1.00 0.00 O ATOM 935 CB ASP A 63 2.852 -2.651 -12.435 1.00 0.00 C ATOM 936 CG ASP A 63 4.007 -2.463 -13.419 1.00 0.00 C ATOM 937 OD1 ASP A 63 4.952 -3.278 -13.348 1.00 0.00 O ATOM 938 OD2 ASP A 63 3.920 -1.508 -14.222 1.00 0.00 O ATOM 0 H ASP A 63 0.895 -3.961 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 63 3.602 -4.617 -11.985 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.925 -2.747 -13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.763 -1.751 -11.827 1.00 0.00 H new ATOM 943 N ARG A 64 4.694 -4.051 -9.817 1.00 0.00 N ATOM 944 CA ARG A 64 5.398 -3.706 -8.594 1.00 0.00 C ATOM 945 C ARG A 64 5.724 -2.211 -8.572 1.00 0.00 C ATOM 946 O ARG A 64 5.844 -1.614 -7.503 1.00 0.00 O ATOM 947 CB ARG A 64 6.696 -4.505 -8.462 1.00 0.00 C ATOM 948 CG ARG A 64 6.406 -5.974 -8.147 1.00 0.00 C ATOM 949 CD ARG A 64 7.275 -6.470 -6.990 1.00 0.00 C ATOM 950 NE ARG A 64 8.680 -6.606 -7.435 1.00 0.00 N ATOM 951 CZ ARG A 64 9.621 -7.275 -6.755 1.00 0.00 C ATOM 952 NH1 ARG A 64 9.314 -7.872 -5.595 1.00 0.00 N ATOM 953 NH2 ARG A 64 10.871 -7.347 -7.235 1.00 0.00 N ATOM 0 H ARG A 64 5.097 -4.832 -10.335 1.00 0.00 H new ATOM 0 HA ARG A 64 4.746 -3.952 -7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.267 -4.434 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.313 -4.075 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.353 -6.094 -7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.591 -6.583 -9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.215 -5.773 -6.154 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.904 -7.430 -6.631 1.00 0.00 H new ATOM 0 HE ARG A 64 8.949 -6.163 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.363 -7.817 -5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.031 -8.381 -5.078 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.105 -6.893 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.587 -7.856 -6.718 1.00 0.00 H new ATOM 967 N ASN A 65 5.857 -1.649 -9.764 1.00 0.00 N ATOM 968 CA ASN A 65 6.166 -0.236 -9.895 1.00 0.00 C ATOM 969 C ASN A 65 4.973 0.487 -10.524 1.00 0.00 C ATOM 970 O ASN A 65 5.144 1.312 -11.419 1.00 0.00 O ATOM 971 CB ASN A 65 7.380 -0.019 -10.801 1.00 0.00 C ATOM 972 CG ASN A 65 8.550 -0.907 -10.371 1.00 0.00 C ATOM 973 OD1 ASN A 65 8.872 -1.901 -11.002 1.00 0.00 O ATOM 974 ND2 ASN A 65 9.165 -0.495 -9.267 1.00 0.00 N ATOM 0 H ASN A 65 5.756 -2.147 -10.648 1.00 0.00 H new ATOM 0 HA ASN A 65 6.383 0.155 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.112 -0.240 -11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.681 1.028 -10.767 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.958 -1.020 -8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.844 0.346 -8.788 1.00 0.00 H new ATOM 981 N LEU A 66 3.790 0.150 -10.030 1.00 0.00 N ATOM 982 CA LEU A 66 2.569 0.756 -10.532 1.00 0.00 C ATOM 983 C LEU A 66 2.501 2.213 -10.070 1.00 0.00 C ATOM 984 O LEU A 66 2.829 2.520 -8.925 1.00 0.00 O ATOM 985 CB LEU A 66 1.351 -0.076 -10.125 1.00 0.00 C ATOM 986 CG LEU A 66 0.023 0.318 -10.773 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.216 -0.473 -12.060 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.135 0.167 -9.784 1.00 0.00 C ATOM 0 H LEU A 66 3.652 -0.535 -9.287 1.00 0.00 H new ATOM 0 HA LEU A 66 2.569 0.766 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.553 -1.120 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.237 -0.012 -9.043 1.00 0.00 H new ATOM 0 HG LEU A 66 0.077 1.371 -11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.167 -0.173 -12.500 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.590 -0.272 -12.766 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.241 -1.539 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.068 0.453 -10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.200 -0.870 -9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.963 0.810 -8.921 1.00 0.00 H new ATOM 1000 N ASP A 67 2.071 3.070 -10.984 1.00 0.00 N ATOM 1001 CA ASP A 67 1.955 4.487 -10.684 1.00 0.00 C ATOM 1002 C ASP A 67 0.517 4.800 -10.266 1.00 0.00 C ATOM 1003 O ASP A 67 -0.372 3.964 -10.416 1.00 0.00 O ATOM 1004 CB ASP A 67 2.286 5.339 -11.912 1.00 0.00 C ATOM 1005 CG ASP A 67 2.122 6.847 -11.715 1.00 0.00 C ATOM 1006 OD1 ASP A 67 2.543 7.329 -10.642 1.00 0.00 O ATOM 1007 OD2 ASP A 67 1.579 7.484 -12.644 1.00 0.00 O ATOM 0 H ASP A 67 1.799 2.811 -11.932 1.00 0.00 H new ATOM 0 HA ASP A 67 2.656 4.720 -9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.315 5.136 -12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.647 5.024 -12.737 1.00 0.00 H new