USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 483 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 67 MET CE :methyl -129:sc= -0.388 (180deg=-1.38) USER MOD Set 1.2: A 70 SER OG : rot 130:sc= -0.0215 USER MOD Single : A 9 TYR OH : rot -21:sc= -0.497 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.72) USER MOD Single : A 33 THR OG1 : rot 174:sc= -1.4 USER MOD Single : A 36 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.063) USER MOD Single : A 66 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.4) USER MOD Single : A 68 ASN : amide:sc= -3.39 K(o=-3.4,f=-9.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 7 0.826 9.618 -1.007 1.00 0.00 N ATOM 96 CA VAL A 7 1.264 8.308 -0.554 1.00 0.00 C ATOM 97 C VAL A 7 0.327 7.781 0.531 1.00 0.00 C ATOM 98 O VAL A 7 0.009 8.488 1.487 1.00 0.00 O ATOM 99 CB VAL A 7 2.722 8.302 -0.015 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.662 7.672 -1.031 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.206 9.700 0.375 1.00 0.00 C ATOM 0 HA VAL A 7 1.237 7.659 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 7 2.726 7.700 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.679 7.676 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.352 6.645 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.630 8.243 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.230 9.641 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.173 10.353 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.561 10.104 1.155 1.00 0.00 H new ATOM 111 N LEU A 8 -0.114 6.535 0.375 1.00 0.00 N ATOM 112 CA LEU A 8 -1.019 5.917 1.341 1.00 0.00 C ATOM 113 C LEU A 8 -0.377 4.693 1.983 1.00 0.00 C ATOM 114 O LEU A 8 0.506 4.068 1.399 1.00 0.00 O ATOM 115 CB LEU A 8 -2.328 5.514 0.659 1.00 0.00 C ATOM 116 CG LEU A 8 -2.962 6.595 -0.219 1.00 0.00 C ATOM 117 CD1 LEU A 8 -4.255 6.089 -0.843 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.218 7.857 0.594 1.00 0.00 C ATOM 0 H LEU A 8 0.140 5.934 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.230 6.649 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.144 4.632 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.045 5.224 1.427 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.267 6.837 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.690 6.872 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.044 5.214 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.958 5.818 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.669 8.616 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.894 7.628 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.275 8.231 0.992 1.00 0.00 H new ATOM 130 N TYR A 9 -0.833 4.348 3.186 1.00 0.00 N ATOM 131 CA TYR A 9 -0.302 3.190 3.899 1.00 0.00 C ATOM 132 C TYR A 9 -1.333 2.078 3.959 1.00 0.00 C ATOM 133 O TYR A 9 -2.487 2.317 4.295 1.00 0.00 O ATOM 134 CB TYR A 9 0.110 3.568 5.322 1.00 0.00 C ATOM 135 CG TYR A 9 0.957 2.513 6.006 1.00 0.00 C ATOM 136 CD1 TYR A 9 0.469 1.228 6.222 1.00 0.00 C ATOM 137 CD2 TYR A 9 2.249 2.802 6.428 1.00 0.00 C ATOM 138 CE1 TYR A 9 1.244 0.264 6.834 1.00 0.00 C ATOM 139 CE2 TYR A 9 3.030 1.842 7.045 1.00 0.00 C ATOM 140 CZ TYR A 9 2.522 0.576 7.245 1.00 0.00 C ATOM 141 OH TYR A 9 3.296 -0.385 7.855 1.00 0.00 O ATOM 0 H TYR A 9 -1.566 4.852 3.685 1.00 0.00 H new ATOM 0 HA TYR A 9 0.575 2.841 3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.664 4.506 5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.786 3.745 5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.533 0.981 5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.650 3.793 6.272 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.851 -0.730 6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.032 2.083 7.368 1.00 0.00 H new ATOM 0 HH TYR A 9 2.718 -1.088 8.218 1.00 0.00 H new ATOM 151 N VAL A 10 -0.908 0.856 3.654 1.00 0.00 N ATOM 152 CA VAL A 10 -1.804 -0.293 3.698 1.00 0.00 C ATOM 153 C VAL A 10 -1.458 -1.200 4.875 1.00 0.00 C ATOM 154 O VAL A 10 -0.325 -1.665 5.003 1.00 0.00 O ATOM 155 CB VAL A 10 -1.730 -1.108 2.394 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.710 -2.272 2.430 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.992 -0.215 1.192 1.00 0.00 C ATOM 0 H VAL A 10 0.048 0.637 3.375 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.818 0.089 3.818 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.724 -1.518 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.641 -2.835 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.468 -2.926 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.724 -1.890 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.936 -0.808 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.985 0.227 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.244 0.577 1.157 1.00 0.00 H new ATOM 167 N GLY A 11 -2.442 -1.447 5.739 1.00 0.00 N ATOM 168 CA GLY A 11 -2.211 -2.295 6.897 1.00 0.00 C ATOM 169 C GLY A 11 -3.157 -3.483 6.960 1.00 0.00 C ATOM 170 O GLY A 11 -4.375 -3.311 6.986 1.00 0.00 O ATOM 0 H GLY A 11 -3.389 -1.077 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.183 -2.657 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.322 -1.701 7.804 1.00 0.00 H new ATOM 174 N GLY A 12 -2.590 -4.688 6.975 1.00 0.00 N ATOM 175 CA GLY A 12 -3.391 -5.901 7.026 1.00 0.00 C ATOM 176 C GLY A 12 -3.200 -6.721 5.775 1.00 0.00 C ATOM 177 O GLY A 12 -4.146 -7.287 5.228 1.00 0.00 O ATOM 0 H GLY A 12 -1.583 -4.846 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.111 -6.491 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.444 -5.643 7.140 1.00 0.00 H new ATOM 181 N LEU A 13 -1.960 -6.749 5.308 1.00 0.00 N ATOM 182 CA LEU A 13 -1.607 -7.453 4.093 1.00 0.00 C ATOM 183 C LEU A 13 -1.124 -8.877 4.347 1.00 0.00 C ATOM 184 O LEU A 13 -1.008 -9.329 5.484 1.00 0.00 O ATOM 185 CB LEU A 13 -0.493 -6.686 3.388 1.00 0.00 C ATOM 186 CG LEU A 13 -0.892 -5.377 2.701 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.342 -4.673 2.157 1.00 0.00 C ATOM 188 CD2 LEU A 13 -1.901 -5.621 1.584 1.00 0.00 C ATOM 0 H LEU A 13 -1.175 -6.284 5.763 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.508 -7.515 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.284 -6.464 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.048 -7.342 2.640 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.367 -4.737 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.046 -3.744 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.026 -4.452 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.840 -5.318 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.163 -4.672 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.464 -6.284 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.798 -6.082 1.998 1.00 0.00 H new ATOM 200 N ALA A 14 -0.811 -9.552 3.245 1.00 0.00 N ATOM 201 CA ALA A 14 -0.294 -10.912 3.269 1.00 0.00 C ATOM 202 C ALA A 14 0.985 -10.982 2.434 1.00 0.00 C ATOM 203 O ALA A 14 1.463 -9.960 1.943 1.00 0.00 O ATOM 204 CB ALA A 14 -1.334 -11.890 2.737 1.00 0.00 C ATOM 0 H ALA A 14 -0.910 -9.167 2.306 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.067 -11.191 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.929 -12.902 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.229 -11.842 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.589 -11.627 1.710 1.00 0.00 H new ATOM 210 N GLU A 15 1.536 -12.177 2.269 1.00 0.00 N ATOM 211 CA GLU A 15 2.756 -12.343 1.481 1.00 0.00 C ATOM 212 C GLU A 15 2.449 -12.370 -0.018 1.00 0.00 C ATOM 213 O GLU A 15 3.355 -12.502 -0.842 1.00 0.00 O ATOM 214 CB GLU A 15 3.483 -13.629 1.880 1.00 0.00 C ATOM 215 CG GLU A 15 4.996 -13.483 1.910 1.00 0.00 C ATOM 216 CD GLU A 15 5.702 -14.780 2.253 1.00 0.00 C ATOM 217 OE1 GLU A 15 6.019 -15.548 1.320 1.00 0.00 O ATOM 218 OE2 GLU A 15 5.940 -15.026 3.455 1.00 0.00 O ATOM 0 H GLU A 15 1.164 -13.040 2.665 1.00 0.00 H new ATOM 0 HA GLU A 15 3.399 -11.488 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.136 -13.943 2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.216 -14.421 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.342 -13.132 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.269 -12.721 2.640 1.00 0.00 H new ATOM 225 N GLU A 16 1.170 -12.265 -0.368 1.00 0.00 N ATOM 226 CA GLU A 16 0.750 -12.300 -1.770 1.00 0.00 C ATOM 227 C GLU A 16 0.735 -10.905 -2.397 1.00 0.00 C ATOM 228 O GLU A 16 1.068 -10.744 -3.570 1.00 0.00 O ATOM 229 CB GLU A 16 -0.640 -12.935 -1.895 1.00 0.00 C ATOM 230 CG GLU A 16 -1.048 -13.761 -0.686 1.00 0.00 C ATOM 231 CD GLU A 16 -2.179 -14.725 -0.987 1.00 0.00 C ATOM 232 OE1 GLU A 16 -3.280 -14.256 -1.341 1.00 0.00 O ATOM 233 OE2 GLU A 16 -1.962 -15.949 -0.870 1.00 0.00 O ATOM 0 H GLU A 16 0.405 -12.155 0.298 1.00 0.00 H new ATOM 0 HA GLU A 16 1.479 -12.904 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.377 -12.147 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.661 -13.570 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.185 -14.322 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.351 -13.092 0.119 1.00 0.00 H new ATOM 240 N VAL A 17 0.334 -9.903 -1.620 1.00 0.00 N ATOM 241 CA VAL A 17 0.265 -8.541 -2.111 1.00 0.00 C ATOM 242 C VAL A 17 1.641 -7.996 -2.442 1.00 0.00 C ATOM 243 O VAL A 17 2.628 -8.280 -1.762 1.00 0.00 O ATOM 244 CB VAL A 17 -0.397 -7.599 -1.091 1.00 0.00 C ATOM 245 CG1 VAL A 17 0.409 -7.578 0.192 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.532 -6.194 -1.660 1.00 0.00 C ATOM 0 H VAL A 17 0.052 -10.015 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.341 -8.578 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.398 -7.971 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.066 -6.909 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.455 -8.584 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.419 -7.226 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.003 -5.546 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.456 -5.805 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.146 -6.223 -2.560 1.00 0.00 H new ATOM 256 N ASP A 18 1.679 -7.206 -3.492 1.00 0.00 N ATOM 257 CA ASP A 18 2.909 -6.587 -3.955 1.00 0.00 C ATOM 258 C ASP A 18 2.594 -5.277 -4.662 1.00 0.00 C ATOM 259 O ASP A 18 1.428 -4.912 -4.817 1.00 0.00 O ATOM 260 CB ASP A 18 3.663 -7.527 -4.900 1.00 0.00 C ATOM 261 CG ASP A 18 2.775 -8.099 -5.990 1.00 0.00 C ATOM 262 OD1 ASP A 18 1.645 -7.593 -6.164 1.00 0.00 O ATOM 263 OD2 ASP A 18 3.211 -9.052 -6.670 1.00 0.00 O ATOM 0 H ASP A 18 0.859 -6.972 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 18 3.544 -6.385 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.491 -6.987 -5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.096 -8.345 -4.323 1.00 0.00 H new ATOM 268 N ASP A 19 3.628 -4.584 -5.108 1.00 0.00 N ATOM 269 CA ASP A 19 3.445 -3.326 -5.815 1.00 0.00 C ATOM 270 C ASP A 19 2.654 -3.569 -7.088 1.00 0.00 C ATOM 271 O ASP A 19 1.934 -2.697 -7.570 1.00 0.00 O ATOM 272 CB ASP A 19 4.795 -2.684 -6.148 1.00 0.00 C ATOM 273 CG ASP A 19 5.700 -3.603 -6.947 1.00 0.00 C ATOM 274 OD1 ASP A 19 5.460 -4.829 -6.944 1.00 0.00 O ATOM 275 OD2 ASP A 19 6.652 -3.094 -7.578 1.00 0.00 O ATOM 0 H ASP A 19 4.601 -4.869 -4.994 1.00 0.00 H new ATOM 0 HA ASP A 19 2.895 -2.641 -5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.627 -1.766 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.297 -2.402 -5.222 1.00 0.00 H new ATOM 280 N LYS A 20 2.814 -4.768 -7.625 1.00 0.00 N ATOM 281 CA LYS A 20 2.145 -5.171 -8.846 1.00 0.00 C ATOM 282 C LYS A 20 0.637 -5.248 -8.659 1.00 0.00 C ATOM 283 O LYS A 20 -0.130 -4.694 -9.446 1.00 0.00 O ATOM 284 CB LYS A 20 2.677 -6.544 -9.235 1.00 0.00 C ATOM 285 CG LYS A 20 4.187 -6.598 -9.367 1.00 0.00 C ATOM 286 CD LYS A 20 4.732 -5.378 -10.088 1.00 0.00 C ATOM 287 CE LYS A 20 6.245 -5.434 -10.203 1.00 0.00 C ATOM 288 NZ LYS A 20 6.753 -4.532 -11.270 1.00 0.00 N ATOM 0 H LYS A 20 3.413 -5.489 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 20 2.342 -4.433 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.360 -7.272 -8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.227 -6.843 -10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.637 -6.666 -8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.473 -7.499 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.292 -5.315 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.439 -4.475 -9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.692 -5.156 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.556 -6.457 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.790 -4.599 -11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.346 -4.813 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.479 -3.552 -11.056 1.00 0.00 H new ATOM 302 N VAL A 21 0.221 -5.926 -7.595 1.00 0.00 N ATOM 303 CA VAL A 21 -1.198 -6.067 -7.284 1.00 0.00 C ATOM 304 C VAL A 21 -1.765 -4.742 -6.792 1.00 0.00 C ATOM 305 O VAL A 21 -2.842 -4.322 -7.209 1.00 0.00 O ATOM 306 CB VAL A 21 -1.469 -7.192 -6.243 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.573 -6.633 -4.833 1.00 0.00 C ATOM 308 CG2 VAL A 21 -2.736 -7.967 -6.593 1.00 0.00 C ATOM 0 H VAL A 21 0.846 -6.387 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.702 -6.356 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.620 -7.875 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.762 -7.446 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.639 -6.136 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.392 -5.915 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.902 -8.747 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.588 -7.287 -6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.624 -8.422 -7.577 1.00 0.00 H new ATOM 318 N LEU A 22 -1.018 -4.083 -5.905 1.00 0.00 N ATOM 319 CA LEU A 22 -1.431 -2.799 -5.355 1.00 0.00 C ATOM 320 C LEU A 22 -1.560 -1.785 -6.474 1.00 0.00 C ATOM 321 O LEU A 22 -2.425 -0.916 -6.452 1.00 0.00 O ATOM 322 CB LEU A 22 -0.420 -2.312 -4.315 1.00 0.00 C ATOM 323 CG LEU A 22 -0.506 -3.019 -2.960 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.886 -3.313 -2.414 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.300 -2.188 -1.963 1.00 0.00 C ATOM 0 H LEU A 22 -0.122 -4.422 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.397 -2.918 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.585 -2.444 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.564 -1.242 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.026 -3.965 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.800 -3.816 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.422 -3.956 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.432 -2.378 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.347 -2.712 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.813 -1.223 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.310 -2.033 -2.342 1.00 0.00 H new ATOM 337 N HIS A 23 -0.694 -1.925 -7.466 1.00 0.00 N ATOM 338 CA HIS A 23 -0.709 -1.047 -8.615 1.00 0.00 C ATOM 339 C HIS A 23 -2.032 -1.198 -9.356 1.00 0.00 C ATOM 340 O HIS A 23 -2.753 -0.229 -9.569 1.00 0.00 O ATOM 341 CB HIS A 23 0.467 -1.395 -9.531 1.00 0.00 C ATOM 342 CG HIS A 23 0.466 -0.670 -10.842 1.00 0.00 C ATOM 343 ND1 HIS A 23 -0.303 -1.056 -11.919 1.00 0.00 N ATOM 344 CD2 HIS A 23 1.154 0.424 -11.250 1.00 0.00 C ATOM 345 CE1 HIS A 23 -0.087 -0.235 -12.931 1.00 0.00 C ATOM 346 NE2 HIS A 23 0.792 0.673 -12.550 1.00 0.00 N ATOM 0 H HIS A 23 0.030 -2.643 -7.494 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.610 -0.010 -8.293 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.397 -1.173 -9.008 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.457 -2.468 -9.723 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.857 0.994 -10.661 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.551 -0.296 -13.904 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.145 1.436 -13.128 1.00 0.00 H new ATOM 355 N ALA A 24 -2.347 -2.433 -9.723 1.00 0.00 N ATOM 356 CA ALA A 24 -3.586 -2.748 -10.425 1.00 0.00 C ATOM 357 C ALA A 24 -4.815 -2.539 -9.536 1.00 0.00 C ATOM 358 O ALA A 24 -5.844 -2.042 -9.986 1.00 0.00 O ATOM 359 CB ALA A 24 -3.546 -4.178 -10.944 1.00 0.00 C ATOM 0 H ALA A 24 -1.754 -3.243 -9.544 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.671 -2.062 -11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.476 -4.402 -11.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.708 -4.292 -11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.425 -4.866 -10.107 1.00 0.00 H new ATOM 365 N ALA A 25 -4.704 -2.952 -8.278 1.00 0.00 N ATOM 366 CA ALA A 25 -5.810 -2.838 -7.331 1.00 0.00 C ATOM 367 C ALA A 25 -6.100 -1.399 -6.955 1.00 0.00 C ATOM 368 O ALA A 25 -7.254 -1.032 -6.726 1.00 0.00 O ATOM 369 CB ALA A 25 -5.515 -3.640 -6.074 1.00 0.00 C ATOM 0 H ALA A 25 -3.859 -3.369 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.694 -3.238 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.348 -3.545 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.378 -4.689 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.606 -3.262 -5.606 1.00 0.00 H new ATOM 375 N PHE A 26 -5.059 -0.589 -6.858 1.00 0.00 N ATOM 376 CA PHE A 26 -5.234 0.798 -6.471 1.00 0.00 C ATOM 377 C PHE A 26 -5.291 1.739 -7.678 1.00 0.00 C ATOM 378 O PHE A 26 -5.620 2.917 -7.534 1.00 0.00 O ATOM 379 CB PHE A 26 -4.135 1.205 -5.494 1.00 0.00 C ATOM 380 CG PHE A 26 -4.223 0.488 -4.169 1.00 0.00 C ATOM 381 CD1 PHE A 26 -4.116 -0.899 -4.088 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.405 1.206 -3.001 1.00 0.00 C ATOM 383 CE1 PHE A 26 -4.196 -1.540 -2.864 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.482 0.569 -1.779 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.377 -0.804 -1.708 1.00 0.00 C ATOM 0 H PHE A 26 -4.094 -0.865 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.199 0.888 -5.973 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.164 1.003 -5.945 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.190 2.280 -5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.969 -1.478 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.488 2.282 -3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.117 -2.616 -2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.625 1.147 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.436 -1.303 -0.752 1.00 0.00 H new ATOM 395 N ILE A 27 -4.986 1.221 -8.872 1.00 0.00 N ATOM 396 CA ILE A 27 -5.032 2.041 -10.083 1.00 0.00 C ATOM 397 C ILE A 27 -6.445 2.581 -10.345 1.00 0.00 C ATOM 398 O ILE A 27 -6.594 3.741 -10.732 1.00 0.00 O ATOM 399 CB ILE A 27 -4.492 1.293 -11.334 1.00 0.00 C ATOM 400 CG1 ILE A 27 -3.926 2.296 -12.337 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.547 0.421 -11.994 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.453 2.564 -12.143 1.00 0.00 C ATOM 0 H ILE A 27 -4.709 0.251 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.368 2.886 -9.902 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.699 0.626 -10.996 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.091 1.922 -13.347 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.474 3.234 -12.251 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.116 -0.078 -12.862 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.898 -0.327 -11.283 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.385 1.041 -12.311 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.113 3.285 -12.887 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.285 2.967 -11.144 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.896 1.634 -12.258 1.00 0.00 H new ATOM 414 N PRO A 28 -7.517 1.775 -10.132 1.00 0.00 N ATOM 415 CA PRO A 28 -8.891 2.248 -10.349 1.00 0.00 C ATOM 416 C PRO A 28 -9.188 3.479 -9.505 1.00 0.00 C ATOM 417 O PRO A 28 -9.770 4.451 -9.987 1.00 0.00 O ATOM 418 CB PRO A 28 -9.769 1.068 -9.908 1.00 0.00 C ATOM 419 CG PRO A 28 -8.876 0.210 -9.079 1.00 0.00 C ATOM 420 CD PRO A 28 -7.502 0.377 -9.656 1.00 0.00 C ATOM 0 HA PRO A 28 -9.067 2.542 -11.384 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.631 1.410 -9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.155 0.521 -10.768 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.901 0.515 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.191 -0.833 -9.115 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.726 0.212 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.316 -0.325 -10.469 1.00 0.00 H new ATOM 428 N PHE A 29 -8.764 3.435 -8.245 1.00 0.00 N ATOM 429 CA PHE A 29 -8.964 4.556 -7.336 1.00 0.00 C ATOM 430 C PHE A 29 -8.049 5.710 -7.722 1.00 0.00 C ATOM 431 O PHE A 29 -8.325 6.869 -7.409 1.00 0.00 O ATOM 432 CB PHE A 29 -8.683 4.145 -5.884 1.00 0.00 C ATOM 433 CG PHE A 29 -9.081 2.734 -5.559 1.00 0.00 C ATOM 434 CD1 PHE A 29 -10.378 2.299 -5.767 1.00 0.00 C ATOM 435 CD2 PHE A 29 -8.153 1.843 -5.042 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.745 1.000 -5.469 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.511 0.545 -4.742 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.809 0.122 -4.956 1.00 0.00 C ATOM 0 H PHE A 29 -8.281 2.637 -7.832 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.005 4.871 -7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.619 4.267 -5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.213 4.824 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.112 2.983 -6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.138 2.169 -4.872 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.760 0.672 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.778 -0.139 -4.341 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.092 -0.894 -4.723 1.00 0.00 H new ATOM 448 N GLY A 30 -6.952 5.384 -8.402 1.00 0.00 N ATOM 449 CA GLY A 30 -6.009 6.396 -8.817 1.00 0.00 C ATOM 450 C GLY A 30 -4.737 5.781 -9.351 1.00 0.00 C ATOM 451 O GLY A 30 -4.150 4.907 -8.714 1.00 0.00 O ATOM 0 H GLY A 30 -6.704 4.432 -8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.461 7.023 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.774 7.044 -7.973 1.00 0.00 H new ATOM 455 N ASP A 31 -4.315 6.223 -10.527 1.00 0.00 N ATOM 456 CA ASP A 31 -3.112 5.690 -11.142 1.00 0.00 C ATOM 457 C ASP A 31 -1.898 5.906 -10.254 1.00 0.00 C ATOM 458 O ASP A 31 -1.373 7.013 -10.138 1.00 0.00 O ATOM 459 CB ASP A 31 -2.882 6.306 -12.517 1.00 0.00 C ATOM 460 CG ASP A 31 -4.139 6.313 -13.362 1.00 0.00 C ATOM 461 OD1 ASP A 31 -4.861 5.292 -13.359 1.00 0.00 O ATOM 462 OD2 ASP A 31 -4.406 7.338 -14.026 1.00 0.00 O ATOM 0 H ASP A 31 -4.786 6.946 -11.071 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.255 4.617 -11.266 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.521 7.328 -12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.101 5.750 -13.036 1.00 0.00 H new ATOM 467 N ILE A 32 -1.467 4.822 -9.632 1.00 0.00 N ATOM 468 CA ILE A 32 -0.319 4.838 -8.743 1.00 0.00 C ATOM 469 C ILE A 32 0.935 5.311 -9.470 1.00 0.00 C ATOM 470 O ILE A 32 1.070 5.134 -10.681 1.00 0.00 O ATOM 471 CB ILE A 32 -0.088 3.425 -8.169 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.335 2.967 -7.417 1.00 0.00 C ATOM 473 CG2 ILE A 32 1.136 3.366 -7.265 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.230 2.076 -8.243 1.00 0.00 C ATOM 0 H ILE A 32 -1.904 3.905 -9.729 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.525 5.536 -7.932 1.00 0.00 H new ATOM 0 HB ILE A 32 0.102 2.750 -9.004 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.033 2.434 -6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.900 3.842 -7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.259 2.352 -6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.022 3.650 -7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.005 4.054 -6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.098 1.785 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.560 2.615 -9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.679 1.184 -8.543 1.00 0.00 H new ATOM 486 N THR A 33 1.845 5.911 -8.716 1.00 0.00 N ATOM 487 CA THR A 33 3.097 6.415 -9.266 1.00 0.00 C ATOM 488 C THR A 33 4.278 5.678 -8.670 1.00 0.00 C ATOM 489 O THR A 33 5.298 5.481 -9.329 1.00 0.00 O ATOM 490 CB THR A 33 3.241 7.906 -8.994 1.00 0.00 C ATOM 491 OG1 THR A 33 1.993 8.492 -8.657 1.00 0.00 O ATOM 492 CG2 THR A 33 3.805 8.683 -10.167 1.00 0.00 C ATOM 0 H THR A 33 1.739 6.062 -7.713 1.00 0.00 H new ATOM 0 HA THR A 33 3.080 6.248 -10.343 1.00 0.00 H new ATOM 0 HB THR A 33 3.942 7.969 -8.161 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.131 9.426 -8.393 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.880 9.738 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.795 8.300 -10.415 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.146 8.571 -11.028 1.00 0.00 H new ATOM 500 N ASP A 34 4.137 5.273 -7.416 1.00 0.00 N ATOM 501 CA ASP A 34 5.200 4.561 -6.745 1.00 0.00 C ATOM 502 C ASP A 34 4.657 3.686 -5.616 1.00 0.00 C ATOM 503 O ASP A 34 3.680 4.039 -4.958 1.00 0.00 O ATOM 504 CB ASP A 34 6.232 5.547 -6.196 1.00 0.00 C ATOM 505 CG ASP A 34 7.452 4.849 -5.629 1.00 0.00 C ATOM 506 OD1 ASP A 34 7.292 4.029 -4.703 1.00 0.00 O ATOM 507 OD2 ASP A 34 8.572 5.125 -6.113 1.00 0.00 O ATOM 0 H ASP A 34 3.301 5.427 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 34 5.680 3.910 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.541 6.225 -6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.771 6.156 -5.419 1.00 0.00 H new ATOM 512 N ILE A 35 5.301 2.548 -5.390 1.00 0.00 N ATOM 513 CA ILE A 35 4.886 1.637 -4.331 1.00 0.00 C ATOM 514 C ILE A 35 6.102 1.058 -3.622 1.00 0.00 C ATOM 515 O ILE A 35 6.933 0.390 -4.237 1.00 0.00 O ATOM 516 CB ILE A 35 4.013 0.489 -4.871 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.874 1.051 -5.724 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.458 -0.338 -3.723 1.00 0.00 C ATOM 519 CD1 ILE A 35 2.027 -0.012 -6.391 1.00 0.00 C ATOM 0 H ILE A 35 6.111 2.234 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 35 4.289 2.215 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 35 4.630 -0.158 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.234 1.671 -5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.294 1.702 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.843 -1.146 -4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.282 -0.759 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.851 0.297 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.241 0.464 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.653 -0.618 -7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.576 -0.649 -5.630 1.00 0.00 H new ATOM 531 N GLN A 36 6.211 1.329 -2.325 1.00 0.00 N ATOM 532 CA GLN A 36 7.336 0.844 -1.537 1.00 0.00 C ATOM 533 C GLN A 36 6.867 -0.039 -0.387 1.00 0.00 C ATOM 534 O GLN A 36 5.986 0.340 0.387 1.00 0.00 O ATOM 535 CB GLN A 36 8.142 2.023 -0.989 1.00 0.00 C ATOM 536 CG GLN A 36 9.542 1.641 -0.536 1.00 0.00 C ATOM 537 CD GLN A 36 10.573 2.706 -0.863 1.00 0.00 C ATOM 538 OE1 GLN A 36 11.315 3.155 0.008 1.00 0.00 O ATOM 539 NE2 GLN A 36 10.620 3.115 -2.127 1.00 0.00 N ATOM 0 H GLN A 36 5.534 1.881 -1.799 1.00 0.00 H new ATOM 0 HA GLN A 36 7.969 0.244 -2.191 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.215 2.792 -1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.604 2.462 -0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.536 1.464 0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.830 0.703 -1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.984 2.714 -2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.292 3.830 -2.407 1.00 0.00 H new ATOM 548 N ILE A 37 7.470 -1.217 -0.276 1.00 0.00 N ATOM 549 CA ILE A 37 7.129 -2.157 0.783 1.00 0.00 C ATOM 550 C ILE A 37 8.320 -2.355 1.719 1.00 0.00 C ATOM 551 O ILE A 37 9.315 -2.973 1.338 1.00 0.00 O ATOM 552 CB ILE A 37 6.705 -3.520 0.199 1.00 0.00 C ATOM 553 CG1 ILE A 37 5.576 -3.332 -0.819 1.00 0.00 C ATOM 554 CG2 ILE A 37 6.277 -4.471 1.311 1.00 0.00 C ATOM 555 CD1 ILE A 37 5.758 -4.147 -2.081 1.00 0.00 C ATOM 0 H ILE A 37 8.200 -1.544 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 37 6.291 -1.740 1.342 1.00 0.00 H new ATOM 0 HB ILE A 37 7.561 -3.961 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.629 -3.605 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.509 -2.277 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.982 -5.427 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.109 -4.625 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.434 -4.042 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.922 -3.964 -2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.689 -3.858 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.795 -5.207 -1.828 1.00 0.00 H new ATOM 741 N GLY A 48 3.775 -7.300 6.090 1.00 0.00 N ATOM 742 CA GLY A 48 2.460 -7.215 5.490 1.00 0.00 C ATOM 743 C GLY A 48 1.968 -5.792 5.389 1.00 0.00 C ATOM 744 O GLY A 48 0.792 -5.524 5.624 1.00 0.00 O ATOM 0 HA2 GLY A 48 2.488 -7.659 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.755 -7.800 6.081 1.00 0.00 H new ATOM 748 N PHE A 49 2.863 -4.875 5.039 1.00 0.00 N ATOM 749 CA PHE A 49 2.490 -3.476 4.912 1.00 0.00 C ATOM 750 C PHE A 49 3.233 -2.818 3.763 1.00 0.00 C ATOM 751 O PHE A 49 4.336 -3.230 3.409 1.00 0.00 O ATOM 752 CB PHE A 49 2.768 -2.758 6.227 1.00 0.00 C ATOM 753 CG PHE A 49 2.237 -3.522 7.399 1.00 0.00 C ATOM 754 CD1 PHE A 49 0.900 -3.865 7.453 1.00 0.00 C ATOM 755 CD2 PHE A 49 3.073 -3.926 8.425 1.00 0.00 C ATOM 756 CE1 PHE A 49 0.396 -4.594 8.507 1.00 0.00 C ATOM 757 CE2 PHE A 49 2.579 -4.653 9.489 1.00 0.00 C ATOM 758 CZ PHE A 49 1.236 -4.990 9.531 1.00 0.00 C ATOM 0 H PHE A 49 3.843 -5.075 4.840 1.00 0.00 H new ATOM 0 HA PHE A 49 1.425 -3.409 4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.842 -2.614 6.343 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.315 -1.767 6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.240 -3.557 6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.122 -3.670 8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.652 -4.855 8.534 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.239 -4.959 10.288 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.846 -5.560 10.361 1.00 0.00 H new ATOM 768 N ALA A 50 2.616 -1.806 3.168 1.00 0.00 N ATOM 769 CA ALA A 50 3.233 -1.118 2.043 1.00 0.00 C ATOM 770 C ALA A 50 2.747 0.320 1.911 1.00 0.00 C ATOM 771 O ALA A 50 1.870 0.771 2.649 1.00 0.00 O ATOM 772 CB ALA A 50 2.963 -1.883 0.757 1.00 0.00 C ATOM 0 H ALA A 50 1.701 -1.447 3.441 1.00 0.00 H new ATOM 0 HA ALA A 50 4.306 -1.081 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.428 -1.362 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.380 -2.887 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.888 -1.949 0.592 1.00 0.00 H new ATOM 778 N PHE A 51 3.331 1.028 0.951 1.00 0.00 N ATOM 779 CA PHE A 51 2.981 2.418 0.685 1.00 0.00 C ATOM 780 C PHE A 51 2.569 2.588 -0.775 1.00 0.00 C ATOM 781 O PHE A 51 3.320 2.230 -1.680 1.00 0.00 O ATOM 782 CB PHE A 51 4.172 3.329 0.993 1.00 0.00 C ATOM 783 CG PHE A 51 4.096 4.004 2.331 1.00 0.00 C ATOM 784 CD1 PHE A 51 3.335 5.150 2.505 1.00 0.00 C ATOM 785 CD2 PHE A 51 4.796 3.497 3.413 1.00 0.00 C ATOM 786 CE1 PHE A 51 3.275 5.776 3.734 1.00 0.00 C ATOM 787 CE2 PHE A 51 4.739 4.121 4.644 1.00 0.00 C ATOM 788 CZ PHE A 51 3.978 5.261 4.805 1.00 0.00 C ATOM 0 H PHE A 51 4.057 0.657 0.338 1.00 0.00 H new ATOM 0 HA PHE A 51 2.144 2.694 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.088 2.740 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.243 4.091 0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.783 5.557 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.393 2.605 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.679 6.668 3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.290 3.717 5.480 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.932 5.749 5.767 1.00 0.00 H new ATOM 798 N VAL A 52 1.383 3.141 -1.003 1.00 0.00 N ATOM 799 CA VAL A 52 0.893 3.361 -2.360 1.00 0.00 C ATOM 800 C VAL A 52 0.937 4.846 -2.713 1.00 0.00 C ATOM 801 O VAL A 52 0.374 5.675 -2.000 1.00 0.00 O ATOM 802 CB VAL A 52 -0.545 2.827 -2.533 1.00 0.00 C ATOM 803 CG1 VAL A 52 -0.973 2.902 -3.992 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.651 1.397 -2.013 1.00 0.00 C ATOM 0 H VAL A 52 0.744 3.445 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 52 1.547 2.812 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.217 3.455 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.989 2.521 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.939 3.938 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.298 2.300 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.672 1.037 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.033 0.756 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.391 1.374 -0.955 1.00 0.00 H new ATOM 814 N GLU A 53 1.608 5.181 -3.815 1.00 0.00 N ATOM 815 CA GLU A 53 1.716 6.566 -4.249 1.00 0.00 C ATOM 816 C GLU A 53 0.853 6.781 -5.480 1.00 0.00 C ATOM 817 O GLU A 53 0.832 5.947 -6.379 1.00 0.00 O ATOM 818 CB GLU A 53 3.186 6.924 -4.533 1.00 0.00 C ATOM 819 CG GLU A 53 3.386 8.214 -5.321 1.00 0.00 C ATOM 820 CD GLU A 53 3.976 9.329 -4.481 1.00 0.00 C ATOM 821 OE1 GLU A 53 3.356 9.693 -3.458 1.00 0.00 O ATOM 822 OE2 GLU A 53 5.056 9.839 -4.844 1.00 0.00 O ATOM 0 H GLU A 53 2.083 4.511 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 53 1.360 7.223 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.715 7.008 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.646 6.103 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.042 8.018 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.428 8.539 -5.727 1.00 0.00 H new ATOM 829 N PHE A 54 0.127 7.889 -5.513 1.00 0.00 N ATOM 830 CA PHE A 54 -0.747 8.185 -6.630 1.00 0.00 C ATOM 831 C PHE A 54 -0.269 9.406 -7.388 1.00 0.00 C ATOM 832 O PHE A 54 0.464 10.237 -6.854 1.00 0.00 O ATOM 833 CB PHE A 54 -2.176 8.394 -6.133 1.00 0.00 C ATOM 834 CG PHE A 54 -2.747 7.169 -5.482 1.00 0.00 C ATOM 835 CD1 PHE A 54 -2.182 6.653 -4.328 1.00 0.00 C ATOM 836 CD2 PHE A 54 -3.843 6.530 -6.032 1.00 0.00 C ATOM 837 CE1 PHE A 54 -2.702 5.520 -3.735 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.369 5.398 -5.442 1.00 0.00 C ATOM 839 CZ PHE A 54 -3.798 4.892 -4.294 1.00 0.00 C ATOM 0 H PHE A 54 0.128 8.596 -4.777 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.728 7.337 -7.314 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.192 9.220 -5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.809 8.684 -6.971 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.326 7.142 -3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.292 6.921 -6.933 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.253 5.125 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.227 4.909 -5.880 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.207 4.006 -3.832 1.00 0.00 H new ATOM 849 N GLU A 55 -0.699 9.509 -8.631 1.00 0.00 N ATOM 850 CA GLU A 55 -0.331 10.637 -9.470 1.00 0.00 C ATOM 851 C GLU A 55 -1.157 11.848 -9.074 1.00 0.00 C ATOM 852 O GLU A 55 -0.712 12.992 -9.185 1.00 0.00 O ATOM 853 CB GLU A 55 -0.554 10.305 -10.949 1.00 0.00 C ATOM 854 CG GLU A 55 0.023 11.347 -11.893 1.00 0.00 C ATOM 855 CD GLU A 55 1.509 11.156 -12.130 1.00 0.00 C ATOM 856 OE1 GLU A 55 1.870 10.418 -13.072 1.00 0.00 O ATOM 857 OE2 GLU A 55 2.310 11.746 -11.375 1.00 0.00 O ATOM 0 H GLU A 55 -1.305 8.825 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 55 0.727 10.856 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.104 9.337 -11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.624 10.209 -11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.503 11.300 -12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.151 12.341 -11.482 1.00 0.00 H new ATOM 864 N LEU A 56 -2.372 11.579 -8.610 1.00 0.00 N ATOM 865 CA LEU A 56 -3.289 12.628 -8.191 1.00 0.00 C ATOM 866 C LEU A 56 -3.568 12.533 -6.693 1.00 0.00 C ATOM 867 O LEU A 56 -3.986 11.488 -6.197 1.00 0.00 O ATOM 868 CB LEU A 56 -4.593 12.507 -8.979 1.00 0.00 C ATOM 869 CG LEU A 56 -4.460 12.708 -10.488 1.00 0.00 C ATOM 870 CD1 LEU A 56 -5.785 12.427 -11.181 1.00 0.00 C ATOM 871 CD2 LEU A 56 -3.982 14.117 -10.798 1.00 0.00 C ATOM 0 H LEU A 56 -2.745 10.635 -8.515 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.833 13.598 -8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.020 11.521 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.302 13.238 -8.592 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.719 12.004 -10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.672 12.575 -12.255 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.086 11.398 -10.986 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.547 13.107 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.893 14.242 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.699 14.839 -10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.010 14.282 -10.332 1.00 0.00 H new ATOM 883 N ALA A 57 -3.327 13.627 -5.973 1.00 0.00 N ATOM 884 CA ALA A 57 -3.548 13.654 -4.531 1.00 0.00 C ATOM 885 C ALA A 57 -5.004 13.357 -4.190 1.00 0.00 C ATOM 886 O ALA A 57 -5.295 12.701 -3.190 1.00 0.00 O ATOM 887 CB ALA A 57 -3.131 14.998 -3.955 1.00 0.00 C ATOM 0 H ALA A 57 -2.980 14.503 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.933 12.874 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.302 15.001 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.073 15.167 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.719 15.791 -4.418 1.00 0.00 H new ATOM 893 N GLU A 58 -5.915 13.841 -5.028 1.00 0.00 N ATOM 894 CA GLU A 58 -7.342 13.621 -4.814 1.00 0.00 C ATOM 895 C GLU A 58 -7.702 12.162 -5.074 1.00 0.00 C ATOM 896 O GLU A 58 -8.604 11.609 -4.446 1.00 0.00 O ATOM 897 CB GLU A 58 -8.165 14.537 -5.725 1.00 0.00 C ATOM 898 CG GLU A 58 -7.712 15.987 -5.703 1.00 0.00 C ATOM 899 CD GLU A 58 -8.097 16.700 -4.421 1.00 0.00 C ATOM 900 OE1 GLU A 58 -8.371 16.011 -3.417 1.00 0.00 O ATOM 901 OE2 GLU A 58 -8.123 17.949 -4.423 1.00 0.00 O ATOM 0 H GLU A 58 -5.692 14.387 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.575 13.858 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.109 14.163 -6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.212 14.488 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.630 16.027 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.149 16.513 -6.552 1.00 0.00 H new ATOM 908 N ASP A 59 -6.981 11.544 -6.004 1.00 0.00 N ATOM 909 CA ASP A 59 -7.210 10.148 -6.354 1.00 0.00 C ATOM 910 C ASP A 59 -6.968 9.237 -5.155 1.00 0.00 C ATOM 911 O ASP A 59 -7.676 8.249 -4.961 1.00 0.00 O ATOM 912 CB ASP A 59 -6.299 9.735 -7.512 1.00 0.00 C ATOM 913 CG ASP A 59 -6.988 9.824 -8.860 1.00 0.00 C ATOM 914 OD1 ASP A 59 -8.149 10.283 -8.908 1.00 0.00 O ATOM 915 OD2 ASP A 59 -6.366 9.434 -9.869 1.00 0.00 O ATOM 0 H ASP A 59 -6.230 11.991 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.250 10.044 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.415 10.372 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.955 8.713 -7.351 1.00 0.00 H new ATOM 920 N ALA A 60 -5.953 9.567 -4.360 1.00 0.00 N ATOM 921 CA ALA A 60 -5.617 8.768 -3.190 1.00 0.00 C ATOM 922 C ALA A 60 -6.801 8.684 -2.237 1.00 0.00 C ATOM 923 O ALA A 60 -7.090 7.624 -1.687 1.00 0.00 O ATOM 924 CB ALA A 60 -4.400 9.351 -2.483 1.00 0.00 C ATOM 0 H ALA A 60 -5.353 10.379 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.375 7.758 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.160 8.743 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.550 9.356 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.617 10.371 -2.166 1.00 0.00 H new ATOM 930 N ALA A 61 -7.497 9.802 -2.066 1.00 0.00 N ATOM 931 CA ALA A 61 -8.662 9.846 -1.191 1.00 0.00 C ATOM 932 C ALA A 61 -9.648 8.753 -1.572 1.00 0.00 C ATOM 933 O ALA A 61 -10.316 8.168 -0.718 1.00 0.00 O ATOM 934 CB ALA A 61 -9.327 11.213 -1.262 1.00 0.00 C ATOM 0 H ALA A 61 -7.275 10.688 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.335 9.675 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.195 11.230 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.618 11.979 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.645 11.410 -2.286 1.00 0.00 H new ATOM 940 N ALA A 62 -9.718 8.470 -2.865 1.00 0.00 N ATOM 941 CA ALA A 62 -10.601 7.433 -3.370 1.00 0.00 C ATOM 942 C ALA A 62 -10.098 6.074 -2.917 1.00 0.00 C ATOM 943 O ALA A 62 -10.864 5.250 -2.425 1.00 0.00 O ATOM 944 CB ALA A 62 -10.691 7.498 -4.887 1.00 0.00 C ATOM 0 H ALA A 62 -9.172 8.946 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.603 7.591 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.357 6.713 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.081 8.471 -5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.699 7.357 -5.317 1.00 0.00 H new ATOM 950 N ALA A 63 -8.793 5.863 -3.044 1.00 0.00 N ATOM 951 CA ALA A 63 -8.184 4.617 -2.605 1.00 0.00 C ATOM 952 C ALA A 63 -8.365 4.494 -1.099 1.00 0.00 C ATOM 953 O ALA A 63 -8.567 3.407 -0.562 1.00 0.00 O ATOM 954 CB ALA A 63 -6.710 4.580 -2.980 1.00 0.00 C ATOM 0 H ALA A 63 -8.140 6.536 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.667 3.775 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.272 3.640 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.608 4.661 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.192 5.413 -2.504 1.00 0.00 H new ATOM 960 N ILE A 64 -8.306 5.641 -0.436 1.00 0.00 N ATOM 961 CA ILE A 64 -8.475 5.724 1.004 1.00 0.00 C ATOM 962 C ILE A 64 -9.901 5.362 1.402 1.00 0.00 C ATOM 963 O ILE A 64 -10.122 4.512 2.257 1.00 0.00 O ATOM 964 CB ILE A 64 -8.183 7.164 1.479 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.708 7.502 1.273 1.00 0.00 C ATOM 966 CG2 ILE A 64 -8.584 7.367 2.940 1.00 0.00 C ATOM 967 CD1 ILE A 64 -6.394 8.966 1.482 1.00 0.00 C ATOM 0 H ILE A 64 -8.139 6.541 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.782 5.023 1.469 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.787 7.843 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.107 6.907 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.415 7.215 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.364 8.392 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.651 7.177 3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.023 6.677 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.330 9.137 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.969 9.566 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.657 9.253 2.500 1.00 0.00 H new ATOM 979 N ASP A 65 -10.861 6.030 0.777 1.00 0.00 N ATOM 980 CA ASP A 65 -12.268 5.800 1.068 1.00 0.00 C ATOM 981 C ASP A 65 -12.777 4.510 0.432 1.00 0.00 C ATOM 982 O ASP A 65 -13.871 4.046 0.752 1.00 0.00 O ATOM 983 CB ASP A 65 -13.098 6.987 0.574 1.00 0.00 C ATOM 984 CG ASP A 65 -13.162 8.110 1.589 1.00 0.00 C ATOM 985 OD1 ASP A 65 -12.109 8.723 1.865 1.00 0.00 O ATOM 986 OD2 ASP A 65 -14.266 8.379 2.107 1.00 0.00 O ATOM 0 H ASP A 65 -10.689 6.738 0.063 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.373 5.699 2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.670 7.364 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.109 6.650 0.345 1.00 0.00 H new ATOM 991 N ASN A 66 -11.992 3.937 -0.477 1.00 0.00 N ATOM 992 CA ASN A 66 -12.400 2.706 -1.153 1.00 0.00 C ATOM 993 C ASN A 66 -11.737 1.469 -0.543 1.00 0.00 C ATOM 994 O ASN A 66 -12.304 0.378 -0.584 1.00 0.00 O ATOM 995 CB ASN A 66 -12.090 2.787 -2.651 1.00 0.00 C ATOM 996 CG ASN A 66 -12.969 1.868 -3.480 1.00 0.00 C ATOM 997 OD1 ASN A 66 -12.973 0.652 -3.286 1.00 0.00 O ATOM 998 ND2 ASN A 66 -13.726 2.448 -4.408 1.00 0.00 N ATOM 0 H ASN A 66 -11.081 4.299 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.476 2.604 -1.015 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.223 3.814 -2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.044 2.529 -2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.341 1.881 -4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.692 3.459 -4.535 1.00 0.00 H new ATOM 1005 N MET A 67 -10.536 1.628 0.013 1.00 0.00 N ATOM 1006 CA MET A 67 -9.829 0.493 0.605 1.00 0.00 C ATOM 1007 C MET A 67 -9.874 0.518 2.135 1.00 0.00 C ATOM 1008 O MET A 67 -9.654 -0.507 2.779 1.00 0.00 O ATOM 1009 CB MET A 67 -8.375 0.449 0.121 1.00 0.00 C ATOM 1010 CG MET A 67 -8.042 -0.796 -0.688 1.00 0.00 C ATOM 1011 SD MET A 67 -9.155 -1.036 -2.084 1.00 0.00 S ATOM 1012 CE MET A 67 -9.942 -2.578 -1.622 1.00 0.00 C ATOM 0 H MET A 67 -10.039 2.517 0.066 1.00 0.00 H new ATOM 0 HA MET A 67 -10.344 -0.410 0.275 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.176 1.332 -0.487 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.711 0.500 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.018 -0.724 -1.054 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.087 -1.670 -0.038 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.885 -3.279 -2.454 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.434 -3.001 -0.755 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.987 -2.393 -1.375 1.00 0.00 H new ATOM 1022 N ASN A 68 -10.155 1.681 2.719 1.00 0.00 N ATOM 1023 CA ASN A 68 -10.218 1.798 4.173 1.00 0.00 C ATOM 1024 C ASN A 68 -11.158 0.749 4.760 1.00 0.00 C ATOM 1025 O ASN A 68 -12.368 0.785 4.533 1.00 0.00 O ATOM 1026 CB ASN A 68 -10.680 3.194 4.594 1.00 0.00 C ATOM 1027 CG ASN A 68 -12.004 3.586 3.965 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -12.313 3.192 2.839 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -12.794 4.367 4.692 1.00 0.00 N ATOM 0 H ASN A 68 -10.341 2.547 2.213 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.212 1.631 4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.773 3.230 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.920 3.924 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.697 4.664 4.323 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.498 4.670 5.620 1.00 0.00 H new ATOM 1036 N GLU A 69 -10.592 -0.187 5.513 1.00 0.00 N ATOM 1037 CA GLU A 69 -11.375 -1.251 6.133 1.00 0.00 C ATOM 1038 C GLU A 69 -12.014 -2.141 5.071 1.00 0.00 C ATOM 1039 O GLU A 69 -13.192 -2.488 5.158 1.00 0.00 O ATOM 1040 CB GLU A 69 -12.450 -0.655 7.054 1.00 0.00 C ATOM 1041 CG GLU A 69 -12.080 -0.708 8.530 1.00 0.00 C ATOM 1042 CD GLU A 69 -11.952 0.672 9.152 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -11.182 1.495 8.611 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -12.620 0.929 10.174 1.00 0.00 O ATOM 0 H GLU A 69 -9.592 -0.231 5.710 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.705 -1.866 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.628 0.382 6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.386 -1.192 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.837 -1.277 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.137 -1.243 8.645 1.00 0.00 H new ATOM 1051 N SER A 70 -11.224 -2.514 4.068 1.00 0.00 N ATOM 1052 CA SER A 70 -11.707 -3.371 2.991 1.00 0.00 C ATOM 1053 C SER A 70 -11.149 -4.785 3.133 1.00 0.00 C ATOM 1054 O SER A 70 -10.581 -5.134 4.166 1.00 0.00 O ATOM 1055 CB SER A 70 -11.320 -2.788 1.629 1.00 0.00 C ATOM 1056 OG SER A 70 -12.323 -3.040 0.663 1.00 0.00 O ATOM 0 H SER A 70 -10.247 -2.236 3.979 1.00 0.00 H new ATOM 0 HA SER A 70 -12.794 -3.419 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.162 -1.714 1.722 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.376 -3.222 1.299 1.00 0.00 H new ATOM 0 HG SER A 70 -12.550 -2.206 0.202 1.00 0.00 H new ATOM 1062 N GLU A 71 -11.315 -5.593 2.089 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.829 -6.970 2.099 1.00 0.00 C ATOM 1064 C GLU A 71 -9.971 -7.255 0.869 1.00 0.00 C ATOM 1065 O GLU A 71 -10.396 -7.020 -0.261 1.00 0.00 O ATOM 1066 CB GLU A 71 -12.006 -7.947 2.149 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.618 -9.342 2.611 1.00 0.00 C ATOM 1068 CD GLU A 71 -11.456 -10.319 1.460 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -10.605 -10.065 0.583 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -12.179 -11.337 1.437 1.00 0.00 O ATOM 0 H GLU A 71 -11.782 -5.318 1.225 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.213 -7.104 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.769 -7.550 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.455 -8.013 1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.684 -9.288 3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.378 -9.717 3.296 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.763 -7.764 1.097 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.849 -8.080 0.003 1.00 0.00 C ATOM 1079 C LEU A 72 -7.129 -9.394 0.273 1.00 0.00 C ATOM 1080 O LEU A 72 -6.490 -9.557 1.312 1.00 0.00 O ATOM 1081 CB LEU A 72 -6.833 -6.952 -0.181 1.00 0.00 C ATOM 1082 CG LEU A 72 -6.210 -6.858 -1.573 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -7.269 -6.516 -2.609 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -5.096 -5.823 -1.585 1.00 0.00 C ATOM 0 H LEU A 72 -8.395 -7.966 2.027 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.430 -8.183 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.321 -6.004 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.034 -7.082 0.549 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.783 -7.828 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.807 -6.453 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.035 -7.291 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.725 -5.558 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.662 -5.767 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.501 -4.849 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.325 -6.110 -0.870 1.00 0.00 H new ATOM 1096 N PHE A 73 -7.245 -10.339 -0.656 1.00 0.00 N ATOM 1097 CA PHE A 73 -6.610 -11.640 -0.488 1.00 0.00 C ATOM 1098 C PHE A 73 -7.129 -12.305 0.781 1.00 0.00 C ATOM 1099 O PHE A 73 -6.386 -12.974 1.498 1.00 0.00 O ATOM 1100 CB PHE A 73 -5.087 -11.491 -0.411 1.00 0.00 C ATOM 1101 CG PHE A 73 -4.487 -10.698 -1.539 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -4.454 -11.205 -2.830 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -3.942 -9.445 -1.306 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -3.893 -10.481 -3.860 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -3.380 -8.716 -2.335 1.00 0.00 C ATOM 1106 CZ PHE A 73 -3.356 -9.237 -3.611 1.00 0.00 C ATOM 0 H PHE A 73 -7.768 -10.229 -1.525 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.854 -12.261 -1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.827 -11.012 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.636 -12.483 -0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.873 -12.180 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.957 -9.034 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.874 -10.888 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.960 -7.740 -2.141 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.915 -8.669 -4.417 1.00 0.00 H new ATOM 1116 N GLY A 74 -8.413 -12.095 1.059 1.00 0.00 N ATOM 1117 CA GLY A 74 -9.020 -12.658 2.248 1.00 0.00 C ATOM 1118 C GLY A 74 -8.537 -11.983 3.521 1.00 0.00 C ATOM 1119 O GLY A 74 -8.833 -12.445 4.623 1.00 0.00 O ATOM 0 H GLY A 74 -9.044 -11.543 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.104 -12.564 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.795 -13.723 2.297 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.786 -10.891 3.374 1.00 0.00 N ATOM 1124 CA ARG A 75 -7.262 -10.166 4.521 1.00 0.00 C ATOM 1125 C ARG A 75 -7.796 -8.741 4.569 1.00 0.00 C ATOM 1126 O ARG A 75 -7.847 -8.049 3.553 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.732 -10.153 4.475 1.00 0.00 C ATOM 1128 CG ARG A 75 -5.133 -11.515 4.161 1.00 0.00 C ATOM 1129 CD ARG A 75 -4.186 -11.971 5.255 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.981 -13.419 5.238 1.00 0.00 N ATOM 1131 CZ ARG A 75 -4.751 -14.288 5.894 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -5.784 -13.866 6.612 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -4.487 -15.586 5.824 1.00 0.00 N ATOM 0 H ARG A 75 -7.530 -10.493 2.470 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.593 -10.678 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.403 -9.436 3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.349 -9.807 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.932 -12.247 4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.599 -11.469 3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.226 -11.468 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.584 -11.673 6.225 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.202 -13.786 4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.995 -12.869 6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.367 -14.538 7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.697 -15.917 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.074 -16.254 6.324 1.00 0.00 H new ATOM 1147 N THR A 76 -8.186 -8.310 5.762 1.00 0.00 N ATOM 1148 CA THR A 76 -8.707 -6.967 5.954 1.00 0.00 C ATOM 1149 C THR A 76 -7.565 -5.960 5.962 1.00 0.00 C ATOM 1150 O THR A 76 -6.665 -6.034 6.801 1.00 0.00 O ATOM 1151 CB THR A 76 -9.499 -6.878 7.266 1.00 0.00 C ATOM 1152 OG1 THR A 76 -10.386 -7.978 7.405 1.00 0.00 O ATOM 1153 CG2 THR A 76 -10.318 -5.611 7.381 1.00 0.00 C ATOM 0 H THR A 76 -8.150 -8.874 6.611 1.00 0.00 H new ATOM 0 HA THR A 76 -9.379 -6.735 5.128 1.00 0.00 H new ATOM 0 HB THR A 76 -8.746 -6.883 8.054 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.877 -7.898 8.249 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.854 -5.609 8.330 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.657 -4.745 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 76 -11.034 -5.565 6.560 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.597 -5.027 5.023 1.00 0.00 N ATOM 1162 CA ILE A 77 -6.562 -4.017 4.921 1.00 0.00 C ATOM 1163 C ILE A 77 -7.093 -2.636 5.266 1.00 0.00 C ATOM 1164 O ILE A 77 -8.282 -2.355 5.122 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.941 -3.980 3.515 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -7.012 -3.732 2.457 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -5.202 -5.276 3.233 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -6.442 -3.245 1.143 1.00 0.00 C ATOM 0 H ILE A 77 -8.332 -4.951 4.320 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.792 -4.293 5.641 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.228 -3.157 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.567 -4.654 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.723 -2.997 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.767 -5.237 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.409 -5.410 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.898 -6.112 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.252 -3.087 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.910 -2.307 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.752 -3.990 0.747 1.00 0.00 H new ATOM 1180 N ARG A 78 -6.193 -1.781 5.716 1.00 0.00 N ATOM 1181 CA ARG A 78 -6.536 -0.415 6.086 1.00 0.00 C ATOM 1182 C ARG A 78 -5.603 0.570 5.393 1.00 0.00 C ATOM 1183 O ARG A 78 -4.391 0.362 5.358 1.00 0.00 O ATOM 1184 CB ARG A 78 -6.445 -0.244 7.603 1.00 0.00 C ATOM 1185 CG ARG A 78 -7.245 0.936 8.131 1.00 0.00 C ATOM 1186 CD ARG A 78 -6.337 2.018 8.691 1.00 0.00 C ATOM 1187 NE ARG A 78 -5.928 1.728 10.064 1.00 0.00 N ATOM 1188 CZ ARG A 78 -4.796 2.164 10.613 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -3.952 2.914 9.916 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -4.507 1.846 11.869 1.00 0.00 N ATOM 0 H ARG A 78 -5.206 -2.010 5.836 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.558 -0.213 5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.797 -1.156 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.399 -0.118 7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.856 1.351 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.929 0.595 8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.453 2.112 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.854 2.977 8.661 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.548 1.156 10.637 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.168 3.162 8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.087 3.243 10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.151 1.269 12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.641 2.178 12.293 1.00 0.00 H new ATOM 1204 N VAL A 79 -6.171 1.637 4.830 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.374 2.636 4.126 1.00 0.00 C ATOM 1206 C VAL A 79 -5.480 4.011 4.787 1.00 0.00 C ATOM 1207 O VAL A 79 -6.489 4.332 5.417 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.810 2.721 2.643 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -5.032 3.790 1.885 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -5.636 1.362 1.981 1.00 0.00 C ATOM 0 H VAL A 79 -7.173 1.829 4.848 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.331 2.323 4.176 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.861 3.007 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.368 3.818 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.203 4.762 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.968 3.556 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.943 1.424 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.589 1.063 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.251 0.624 2.497 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.428 4.818 4.639 1.00 0.00 N ATOM 1221 CA ASN A 80 -4.394 6.157 5.219 1.00 0.00 C ATOM 1222 C ASN A 80 -3.412 7.056 4.473 1.00 0.00 C ATOM 1223 O ASN A 80 -2.484 6.573 3.830 1.00 0.00 O ATOM 1224 CB ASN A 80 -4.011 6.090 6.697 1.00 0.00 C ATOM 1225 CG ASN A 80 -4.387 7.352 7.448 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -3.526 8.043 7.995 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -5.678 7.666 7.473 1.00 0.00 N ATOM 0 H ASN A 80 -3.587 4.564 4.120 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.393 6.584 5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.504 5.235 7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.937 5.924 6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.989 8.507 7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.358 7.066 7.007 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.624 8.367 4.568 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.756 9.335 3.902 1.00 0.00 C ATOM 1236 C LEU A 81 -1.461 9.544 4.683 1.00 0.00 C ATOM 1237 O LEU A 81 -1.430 9.391 5.904 1.00 0.00 O ATOM 1238 CB LEU A 81 -3.483 10.671 3.732 1.00 0.00 C ATOM 1239 CG LEU A 81 -3.818 11.396 5.042 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -2.904 12.596 5.239 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -5.279 11.829 5.064 1.00 0.00 C ATOM 0 H LEU A 81 -4.389 8.783 5.099 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.503 8.937 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.867 11.328 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.409 10.497 3.183 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.656 10.700 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.157 13.097 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.867 12.262 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.032 13.291 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.493 12.341 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.471 12.505 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.920 10.952 4.975 1.00 0.00 H new