USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 70 ASN : amide:sc= -0.766 K(o=-1.2,f=-1.9) USER MOD Set 1.2: A 73 GLN : amide:sc= -0.459 K(o=-1.2,f=-7.5!) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= -0.452 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.124 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 55 SER OG : rot 56:sc= 1.05 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 139:sc= -0.12 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -74:sc= 0.122 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.744 USER MOD Single : A 84 GLN : amide:sc= 0.464 K(o=0.46,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -5.290 4.938 -14.106 1.00 44.14 N ATOM 115 CA ALA A 9 -6.131 5.977 -14.688 1.00 63.53 C ATOM 116 C ALA A 9 -6.655 5.556 -16.057 1.00 61.50 C ATOM 117 O ALA A 9 -6.765 6.375 -16.969 1.00 43.11 O ATOM 118 CB ALA A 9 -5.358 7.283 -14.796 1.00 31.11 C ATOM 0 HA ALA A 9 -6.987 6.127 -14.030 1.00 63.53 H new ATOM 0 HB1 ALA A 9 -5.998 8.050 -15.232 1.00 31.11 H new ATOM 0 HB2 ALA A 9 -5.038 7.599 -13.803 1.00 31.11 H new ATOM 0 HB3 ALA A 9 -4.483 7.137 -15.430 1.00 31.11 H new ATOM 124 N ARG A 10 -6.976 4.273 -16.194 1.00 15.35 N ATOM 125 CA ARG A 10 -7.487 3.744 -17.452 1.00 73.51 C ATOM 126 C ARG A 10 -8.933 3.278 -17.299 1.00 45.45 C ATOM 127 O ARG A 10 -9.694 3.258 -18.266 1.00 61.05 O ATOM 128 CB ARG A 10 -6.615 2.583 -17.933 1.00 23.40 C ATOM 129 CG ARG A 10 -5.681 2.954 -19.073 1.00 5.42 C ATOM 130 CD ARG A 10 -6.133 2.338 -20.387 1.00 42.14 C ATOM 131 NE ARG A 10 -5.689 0.954 -20.524 1.00 61.52 N ATOM 132 CZ ARG A 10 -5.721 0.281 -21.669 1.00 43.35 C ATOM 133 NH1 ARG A 10 -6.173 0.864 -22.771 1.00 62.34 N ATOM 134 NH2 ARG A 10 -5.299 -0.976 -21.714 1.00 72.11 N ATOM 0 H ARG A 10 -6.891 3.581 -15.449 1.00 15.35 H new ATOM 0 HA ARG A 10 -7.457 4.544 -18.192 1.00 73.51 H new ATOM 0 HB2 ARG A 10 -6.023 2.213 -17.096 1.00 23.40 H new ATOM 0 HB3 ARG A 10 -7.259 1.765 -18.254 1.00 23.40 H new ATOM 0 HG2 ARG A 10 -5.641 4.039 -19.173 1.00 5.42 H new ATOM 0 HG3 ARG A 10 -4.671 2.618 -18.841 1.00 5.42 H new ATOM 0 HD2 ARG A 10 -7.220 2.378 -20.451 1.00 42.14 H new ATOM 0 HD3 ARG A 10 -5.743 2.928 -21.217 1.00 42.14 H new ATOM 0 HE ARG A 10 -5.335 0.477 -19.695 1.00 61.52 H new ATOM 0 HH11 ARG A 10 -6.497 1.831 -22.740 1.00 62.34 H new ATOM 0 HH12 ARG A 10 -6.197 0.346 -23.649 1.00 62.34 H new ATOM 0 HH21 ARG A 10 -4.949 -1.427 -20.869 1.00 72.11 H new ATOM 0 HH22 ARG A 10 -5.324 -1.491 -22.594 1.00 72.11 H new ATOM 148 N SER A 11 -9.303 2.905 -16.079 1.00 1.13 N ATOM 149 CA SER A 11 -10.655 2.436 -15.800 1.00 72.01 C ATOM 150 C SER A 11 -11.681 3.525 -16.102 1.00 22.43 C ATOM 151 O SER A 11 -11.336 4.697 -16.239 1.00 3.54 O ATOM 152 CB SER A 11 -10.775 1.997 -14.339 1.00 42.44 C ATOM 153 OG SER A 11 -10.802 0.585 -14.232 1.00 31.43 O ATOM 0 H SER A 11 -8.685 2.918 -15.267 1.00 1.13 H new ATOM 0 HA SER A 11 -10.857 1.581 -16.446 1.00 72.01 H new ATOM 0 HB2 SER A 11 -9.935 2.392 -13.767 1.00 42.44 H new ATOM 0 HB3 SER A 11 -11.682 2.415 -13.904 1.00 42.44 H new ATOM 0 HG SER A 11 -10.877 0.330 -13.289 1.00 31.43 H new ATOM 159 N GLY A 12 -12.945 3.126 -16.204 1.00 32.10 N ATOM 160 CA GLY A 12 -14.002 4.078 -16.489 1.00 15.22 C ATOM 161 C GLY A 12 -14.381 4.904 -15.275 1.00 51.25 C ATOM 162 O GLY A 12 -15.431 4.688 -14.672 1.00 12.50 O ATOM 0 H GLY A 12 -13.256 2.161 -16.094 1.00 32.10 H new ATOM 0 HA2 GLY A 12 -13.682 4.743 -17.291 1.00 15.22 H new ATOM 0 HA3 GLY A 12 -14.881 3.543 -16.850 1.00 15.22 H new ATOM 166 N GLY A 13 -13.522 5.853 -14.916 1.00 2.14 N ATOM 167 CA GLY A 13 -13.789 6.699 -13.767 1.00 23.42 C ATOM 168 C GLY A 13 -12.675 7.694 -13.508 1.00 72.03 C ATOM 169 O GLY A 13 -11.511 7.315 -13.378 1.00 0.11 O ATOM 0 H GLY A 13 -12.646 6.051 -15.400 1.00 2.14 H new ATOM 0 HA2 GLY A 13 -14.723 7.238 -13.926 1.00 23.42 H new ATOM 0 HA3 GLY A 13 -13.927 6.075 -12.884 1.00 23.42 H new ATOM 173 N LYS A 14 -13.031 8.972 -13.435 1.00 53.04 N ATOM 174 CA LYS A 14 -12.054 10.026 -13.191 1.00 52.44 C ATOM 175 C LYS A 14 -12.652 11.133 -12.329 1.00 1.05 C ATOM 176 O LYS A 14 -13.777 11.575 -12.560 1.00 51.53 O ATOM 177 CB LYS A 14 -11.561 10.609 -14.518 1.00 4.45 C ATOM 178 CG LYS A 14 -10.753 9.629 -15.350 1.00 70.21 C ATOM 179 CD LYS A 14 -10.302 10.250 -16.661 1.00 65.02 C ATOM 180 CE LYS A 14 -9.388 11.444 -16.427 1.00 73.41 C ATOM 181 NZ LYS A 14 -8.396 11.607 -17.526 1.00 14.02 N ATOM 0 H LYS A 14 -13.990 9.303 -13.541 1.00 53.04 H new ATOM 0 HA LYS A 14 -11.210 9.589 -12.657 1.00 52.44 H new ATOM 0 HB2 LYS A 14 -12.420 10.944 -15.099 1.00 4.45 H new ATOM 0 HB3 LYS A 14 -10.951 11.489 -14.314 1.00 4.45 H new ATOM 0 HG2 LYS A 14 -9.882 9.301 -14.783 1.00 70.21 H new ATOM 0 HG3 LYS A 14 -11.353 8.742 -15.554 1.00 70.21 H new ATOM 0 HD2 LYS A 14 -9.780 9.502 -17.258 1.00 65.02 H new ATOM 0 HD3 LYS A 14 -11.174 10.565 -17.235 1.00 65.02 H new ATOM 0 HE2 LYS A 14 -9.988 12.350 -16.342 1.00 73.41 H new ATOM 0 HE3 LYS A 14 -8.863 11.320 -15.480 1.00 73.41 H new ATOM 0 HZ1 LYS A 14 -7.792 12.431 -17.329 1.00 14.02 H new ATOM 0 HZ2 LYS A 14 -7.806 10.753 -17.591 1.00 14.02 H new ATOM 0 HZ3 LYS A 14 -8.896 11.751 -18.426 1.00 14.02 H new ATOM 195 N VAL A 15 -11.891 11.577 -11.333 1.00 51.31 N ATOM 196 CA VAL A 15 -12.345 12.634 -10.437 1.00 43.43 C ATOM 197 C VAL A 15 -11.199 13.570 -10.067 1.00 15.01 C ATOM 198 O VAL A 15 -10.040 13.160 -10.013 1.00 64.41 O ATOM 199 CB VAL A 15 -12.956 12.054 -9.148 1.00 71.23 C ATOM 200 CG1 VAL A 15 -13.602 13.154 -8.320 1.00 44.44 C ATOM 201 CG2 VAL A 15 -13.965 10.965 -9.481 1.00 65.41 C ATOM 0 H VAL A 15 -10.958 11.221 -11.127 1.00 51.31 H new ATOM 0 HA VAL A 15 -13.111 13.195 -10.972 1.00 43.43 H new ATOM 0 HB VAL A 15 -12.156 11.609 -8.556 1.00 71.23 H new ATOM 0 HG11 VAL A 15 -14.028 12.724 -7.413 1.00 44.44 H new ATOM 0 HG12 VAL A 15 -12.850 13.896 -8.051 1.00 44.44 H new ATOM 0 HG13 VAL A 15 -14.391 13.631 -8.901 1.00 44.44 H new ATOM 0 HG21 VAL A 15 -14.387 10.566 -8.559 1.00 65.41 H new ATOM 0 HG22 VAL A 15 -14.763 11.384 -10.094 1.00 65.41 H new ATOM 0 HG23 VAL A 15 -13.469 10.164 -10.029 1.00 65.41 H new ATOM 211 N THR A 16 -11.532 14.832 -9.811 1.00 71.41 N ATOM 212 CA THR A 16 -10.532 15.827 -9.446 1.00 60.21 C ATOM 213 C THR A 16 -10.966 16.618 -8.217 1.00 72.44 C ATOM 214 O THR A 16 -12.003 17.281 -8.228 1.00 53.13 O ATOM 215 CB THR A 16 -10.265 16.806 -10.605 1.00 22.12 C ATOM 216 OG1 THR A 16 -9.470 17.905 -10.144 1.00 72.44 O ATOM 217 CG2 THR A 16 -11.571 17.326 -11.186 1.00 1.45 C ATOM 0 H THR A 16 -12.487 15.188 -9.850 1.00 71.41 H new ATOM 0 HA THR A 16 -9.614 15.284 -9.220 1.00 60.21 H new ATOM 0 HB THR A 16 -9.726 16.271 -11.387 1.00 22.12 H new ATOM 0 HG1 THR A 16 -9.303 18.522 -10.887 1.00 72.44 H new ATOM 0 HG21 THR A 16 -11.357 18.015 -12.003 1.00 1.45 H new ATOM 0 HG22 THR A 16 -12.160 16.490 -11.562 1.00 1.45 H new ATOM 0 HG23 THR A 16 -12.133 17.846 -10.410 1.00 1.45 H new ATOM 225 N PHE A 17 -10.166 16.544 -7.159 1.00 32.32 N ATOM 226 CA PHE A 17 -10.469 17.253 -5.921 1.00 45.22 C ATOM 227 C PHE A 17 -9.420 18.325 -5.639 1.00 12.50 C ATOM 228 O PHE A 17 -8.221 18.093 -5.796 1.00 55.44 O ATOM 229 CB PHE A 17 -10.538 16.271 -4.750 1.00 13.43 C ATOM 230 CG PHE A 17 -10.650 16.943 -3.411 1.00 21.23 C ATOM 231 CD1 PHE A 17 -11.796 17.640 -3.064 1.00 30.54 C ATOM 232 CD2 PHE A 17 -9.608 16.878 -2.499 1.00 72.53 C ATOM 233 CE1 PHE A 17 -11.902 18.258 -1.832 1.00 51.22 C ATOM 234 CE2 PHE A 17 -9.709 17.494 -1.266 1.00 63.24 C ATOM 235 CZ PHE A 17 -10.857 18.186 -0.933 1.00 25.02 C ATOM 0 H PHE A 17 -9.303 16.001 -7.134 1.00 32.32 H new ATOM 0 HA PHE A 17 -11.438 17.738 -6.037 1.00 45.22 H new ATOM 0 HB2 PHE A 17 -11.394 15.611 -4.889 1.00 13.43 H new ATOM 0 HB3 PHE A 17 -9.647 15.643 -4.759 1.00 13.43 H new ATOM 0 HD1 PHE A 17 -12.616 17.701 -3.764 1.00 30.54 H new ATOM 0 HD2 PHE A 17 -8.707 16.340 -2.755 1.00 72.53 H new ATOM 0 HE1 PHE A 17 -12.802 18.797 -1.573 1.00 51.22 H new ATOM 0 HE2 PHE A 17 -8.891 17.434 -0.563 1.00 63.24 H new ATOM 0 HZ PHE A 17 -10.937 18.670 0.029 1.00 25.02 H new ATOM 245 N ARG A 18 -9.881 19.500 -5.222 1.00 34.03 N ATOM 246 CA ARG A 18 -8.985 20.609 -4.919 1.00 42.12 C ATOM 247 C ARG A 18 -8.726 20.705 -3.419 1.00 25.24 C ATOM 248 O ARG A 18 -9.656 20.860 -2.627 1.00 22.42 O ATOM 249 CB ARG A 18 -9.576 21.924 -5.430 1.00 45.35 C ATOM 250 CG ARG A 18 -11.001 22.173 -4.965 1.00 50.35 C ATOM 251 CD ARG A 18 -11.175 23.588 -4.435 1.00 21.31 C ATOM 252 NE ARG A 18 -12.374 24.229 -4.969 1.00 4.04 N ATOM 253 CZ ARG A 18 -12.649 25.519 -4.811 1.00 61.12 C ATOM 254 NH1 ARG A 18 -11.815 26.301 -4.139 1.00 52.05 N ATOM 255 NH2 ARG A 18 -13.760 26.029 -5.327 1.00 11.13 N ATOM 0 H ARG A 18 -10.870 19.708 -5.086 1.00 34.03 H new ATOM 0 HA ARG A 18 -8.036 20.424 -5.423 1.00 42.12 H new ATOM 0 HB2 ARG A 18 -8.945 22.749 -5.099 1.00 45.35 H new ATOM 0 HB3 ARG A 18 -9.553 21.923 -6.520 1.00 45.35 H new ATOM 0 HG2 ARG A 18 -11.690 22.006 -5.793 1.00 50.35 H new ATOM 0 HG3 ARG A 18 -11.261 21.457 -4.186 1.00 50.35 H new ATOM 0 HD2 ARG A 18 -11.231 23.563 -3.347 1.00 21.31 H new ATOM 0 HD3 ARG A 18 -10.299 24.183 -4.695 1.00 21.31 H new ATOM 0 HE ARG A 18 -13.036 23.655 -5.491 1.00 4.04 H new ATOM 0 HH11 ARG A 18 -10.960 25.912 -3.742 1.00 52.05 H new ATOM 0 HH12 ARG A 18 -12.029 27.291 -4.019 1.00 52.05 H new ATOM 0 HH21 ARG A 18 -14.403 25.430 -5.845 1.00 11.13 H new ATOM 0 HH22 ARG A 18 -13.971 27.020 -5.205 1.00 11.13 H new ATOM 269 N ILE A 19 -7.457 20.611 -3.036 1.00 3.25 N ATOM 270 CA ILE A 19 -7.076 20.688 -1.631 1.00 23.23 C ATOM 271 C ILE A 19 -6.195 21.904 -1.365 1.00 52.35 C ATOM 272 O ILE A 19 -5.223 22.148 -2.081 1.00 74.55 O ATOM 273 CB ILE A 19 -6.328 19.419 -1.180 1.00 71.01 C ATOM 274 CG1 ILE A 19 -6.037 19.478 0.321 1.00 41.12 C ATOM 275 CG2 ILE A 19 -5.038 19.256 -1.969 1.00 43.15 C ATOM 276 CD1 ILE A 19 -7.272 19.333 1.182 1.00 11.50 C ATOM 0 H ILE A 19 -6.676 20.481 -3.679 1.00 3.25 H new ATOM 0 HA ILE A 19 -7.999 20.779 -1.059 1.00 23.23 H new ATOM 0 HB ILE A 19 -6.962 18.554 -1.374 1.00 71.01 H new ATOM 0 HG12 ILE A 19 -5.331 18.688 0.577 1.00 41.12 H new ATOM 0 HG13 ILE A 19 -5.552 20.427 0.552 1.00 41.12 H new ATOM 0 HG21 ILE A 19 -4.521 18.355 -1.639 1.00 43.15 H new ATOM 0 HG22 ILE A 19 -5.269 19.173 -3.031 1.00 43.15 H new ATOM 0 HG23 ILE A 19 -4.398 20.123 -1.803 1.00 43.15 H new ATOM 0 HD11 ILE A 19 -6.990 19.384 2.234 1.00 11.50 H new ATOM 0 HD12 ILE A 19 -7.971 20.138 0.954 1.00 11.50 H new ATOM 0 HD13 ILE A 19 -7.746 18.372 0.980 1.00 11.50 H new ATOM 288 N ILE A 20 -6.541 22.664 -0.332 1.00 20.25 N ATOM 289 CA ILE A 20 -5.780 23.853 0.030 1.00 12.31 C ATOM 290 C ILE A 20 -5.149 23.704 1.410 1.00 21.31 C ATOM 291 O ILE A 20 -5.849 23.634 2.421 1.00 31.41 O ATOM 292 CB ILE A 20 -6.666 25.113 0.017 1.00 44.40 C ATOM 293 CG1 ILE A 20 -7.275 25.321 -1.371 1.00 72.51 C ATOM 294 CG2 ILE A 20 -5.857 26.333 0.434 1.00 53.12 C ATOM 295 CD1 ILE A 20 -8.180 26.530 -1.459 1.00 61.44 C ATOM 0 H ILE A 20 -7.344 22.478 0.269 1.00 20.25 H new ATOM 0 HA ILE A 20 -4.993 23.963 -0.716 1.00 12.31 H new ATOM 0 HB ILE A 20 -7.477 24.976 0.732 1.00 44.40 H new ATOM 0 HG12 ILE A 20 -6.471 25.425 -2.100 1.00 72.51 H new ATOM 0 HG13 ILE A 20 -7.842 24.432 -1.647 1.00 72.51 H new ATOM 0 HG21 ILE A 20 -6.496 27.216 0.420 1.00 53.12 H new ATOM 0 HG22 ILE A 20 -5.466 26.184 1.441 1.00 53.12 H new ATOM 0 HG23 ILE A 20 -5.028 26.474 -0.260 1.00 53.12 H new ATOM 0 HD11 ILE A 20 -8.576 26.615 -2.471 1.00 61.44 H new ATOM 0 HD12 ILE A 20 -9.005 26.419 -0.755 1.00 61.44 H new ATOM 0 HD13 ILE A 20 -7.612 27.428 -1.215 1.00 61.44 H new ATOM 307 N LEU A 21 -3.822 23.657 1.445 1.00 23.04 N ATOM 308 CA LEU A 21 -3.094 23.518 2.702 1.00 32.31 C ATOM 309 C LEU A 21 -2.590 24.871 3.192 1.00 1.23 C ATOM 310 O LEU A 21 -1.777 25.520 2.532 1.00 34.02 O ATOM 311 CB LEU A 21 -1.918 22.555 2.530 1.00 74.45 C ATOM 312 CG LEU A 21 -0.977 22.423 3.727 1.00 32.04 C ATOM 313 CD1 LEU A 21 -1.763 22.119 4.993 1.00 14.43 C ATOM 314 CD2 LEU A 21 0.063 21.343 3.472 1.00 65.52 C ATOM 0 H LEU A 21 -3.228 23.713 0.618 1.00 23.04 H new ATOM 0 HA LEU A 21 -3.780 23.115 3.447 1.00 32.31 H new ATOM 0 HB2 LEU A 21 -2.315 21.567 2.295 1.00 74.45 H new ATOM 0 HB3 LEU A 21 -1.334 22.877 1.668 1.00 74.45 H new ATOM 0 HG LEU A 21 -0.460 23.373 3.864 1.00 32.04 H new ATOM 0 HD11 LEU A 21 -1.076 22.028 5.835 1.00 14.43 H new ATOM 0 HD12 LEU A 21 -2.469 22.927 5.186 1.00 14.43 H new ATOM 0 HD13 LEU A 21 -2.308 21.183 4.867 1.00 14.43 H new ATOM 0 HD21 LEU A 21 0.724 21.263 4.335 1.00 65.52 H new ATOM 0 HD22 LEU A 21 -0.437 20.388 3.308 1.00 65.52 H new ATOM 0 HD23 LEU A 21 0.648 21.602 2.590 1.00 65.52 H new ATOM 326 N THR A 22 -3.075 25.292 4.356 1.00 35.02 N ATOM 327 CA THR A 22 -2.674 26.567 4.936 1.00 43.31 C ATOM 328 C THR A 22 -1.189 26.571 5.281 1.00 61.00 C ATOM 329 O THR A 22 -0.585 27.629 5.456 1.00 12.33 O ATOM 330 CB THR A 22 -3.485 26.888 6.205 1.00 20.14 C ATOM 331 OG1 THR A 22 -2.983 28.080 6.819 1.00 13.33 O ATOM 332 CG2 THR A 22 -3.418 25.735 7.196 1.00 74.04 C ATOM 0 H THR A 22 -3.747 24.767 4.916 1.00 35.02 H new ATOM 0 HA THR A 22 -2.872 27.332 4.185 1.00 43.31 H new ATOM 0 HB THR A 22 -4.525 27.039 5.916 1.00 20.14 H new ATOM 0 HG1 THR A 22 -3.505 28.278 7.624 1.00 13.33 H new ATOM 0 HG21 THR A 22 -3.998 25.985 8.084 1.00 74.04 H new ATOM 0 HG22 THR A 22 -3.828 24.836 6.736 1.00 74.04 H new ATOM 0 HG23 THR A 22 -2.380 25.558 7.478 1.00 74.04 H new ATOM 340 N SER A 23 -0.605 25.381 5.376 1.00 33.44 N ATOM 341 CA SER A 23 0.809 25.247 5.704 1.00 64.23 C ATOM 342 C SER A 23 1.677 25.489 4.472 1.00 22.24 C ATOM 343 O SER A 23 2.881 25.717 4.584 1.00 22.42 O ATOM 344 CB SER A 23 1.093 23.857 6.276 1.00 31.33 C ATOM 345 OG SER A 23 2.319 23.838 6.986 1.00 22.02 O ATOM 0 H SER A 23 -1.090 24.495 5.230 1.00 33.44 H new ATOM 0 HA SER A 23 1.055 25.998 6.455 1.00 64.23 H new ATOM 0 HB2 SER A 23 0.281 23.560 6.939 1.00 31.33 H new ATOM 0 HB3 SER A 23 1.126 23.127 5.467 1.00 31.33 H new ATOM 0 HG SER A 23 2.477 22.939 7.343 1.00 22.02 H new ATOM 351 N GLU A 24 1.055 25.437 3.299 1.00 44.35 N ATOM 352 CA GLU A 24 1.771 25.650 2.046 1.00 71.11 C ATOM 353 C GLU A 24 1.398 26.994 1.428 1.00 40.42 C ATOM 354 O GLU A 24 0.785 27.051 0.362 1.00 72.32 O ATOM 355 CB GLU A 24 1.465 24.521 1.060 1.00 71.40 C ATOM 356 CG GLU A 24 2.343 24.541 -0.180 1.00 73.31 C ATOM 357 CD GLU A 24 3.227 23.314 -0.289 1.00 72.50 C ATOM 358 OE1 GLU A 24 3.494 22.875 -1.428 1.00 22.05 O ATOM 359 OE2 GLU A 24 3.651 22.792 0.763 1.00 32.21 O ATOM 0 H GLU A 24 0.058 25.250 3.189 1.00 44.35 H new ATOM 0 HA GLU A 24 2.839 25.653 2.264 1.00 71.11 H new ATOM 0 HB2 GLU A 24 1.588 23.564 1.567 1.00 71.40 H new ATOM 0 HB3 GLU A 24 0.420 24.588 0.756 1.00 71.40 H new ATOM 0 HG2 GLU A 24 1.712 24.609 -1.066 1.00 73.31 H new ATOM 0 HG3 GLU A 24 2.968 25.434 -0.164 1.00 73.31 H new ATOM 366 N ARG A 25 1.772 28.075 2.105 1.00 23.35 N ATOM 367 CA ARG A 25 1.476 29.419 1.625 1.00 61.22 C ATOM 368 C ARG A 25 2.172 29.686 0.293 1.00 20.42 C ATOM 369 O ARG A 25 1.819 30.619 -0.427 1.00 0.51 O ATOM 370 CB ARG A 25 1.911 30.460 2.657 1.00 2.25 C ATOM 371 CG ARG A 25 1.671 31.894 2.215 1.00 40.23 C ATOM 372 CD ARG A 25 1.825 32.868 3.373 1.00 73.13 C ATOM 373 NE ARG A 25 0.728 32.757 4.330 1.00 32.04 N ATOM 374 CZ ARG A 25 0.761 33.283 5.550 1.00 71.41 C ATOM 375 NH1 ARG A 25 1.830 33.952 5.958 1.00 51.41 N ATOM 376 NH2 ARG A 25 -0.277 33.139 6.364 1.00 51.11 N ATOM 0 H ARG A 25 2.281 28.046 2.988 1.00 23.35 H new ATOM 0 HA ARG A 25 0.399 29.495 1.475 1.00 61.22 H new ATOM 0 HB2 ARG A 25 1.374 30.281 3.589 1.00 2.25 H new ATOM 0 HB3 ARG A 25 2.972 30.327 2.870 1.00 2.25 H new ATOM 0 HG2 ARG A 25 2.374 32.154 1.424 1.00 40.23 H new ATOM 0 HG3 ARG A 25 0.670 31.983 1.794 1.00 40.23 H new ATOM 0 HD2 ARG A 25 2.770 32.680 3.882 1.00 73.13 H new ATOM 0 HD3 ARG A 25 1.868 33.886 2.987 1.00 73.13 H new ATOM 0 HE ARG A 25 -0.109 32.248 4.047 1.00 32.04 H new ATOM 0 HH11 ARG A 25 2.630 34.064 5.335 1.00 51.41 H new ATOM 0 HH12 ARG A 25 1.853 34.355 6.895 1.00 51.41 H new ATOM 0 HH21 ARG A 25 -1.101 32.624 6.054 1.00 51.11 H new ATOM 0 HH22 ARG A 25 -0.251 33.543 7.300 1.00 51.11 H new ATOM 390 N SER A 26 3.163 28.859 -0.027 1.00 13.31 N ATOM 391 CA SER A 26 3.911 29.008 -1.269 1.00 42.54 C ATOM 392 C SER A 26 2.981 28.931 -2.476 1.00 42.44 C ATOM 393 O SER A 26 3.206 29.594 -3.489 1.00 31.11 O ATOM 394 CB SER A 26 4.990 27.928 -1.373 1.00 12.44 C ATOM 395 OG SER A 26 5.213 27.309 -0.118 1.00 1.23 O ATOM 0 H SER A 26 3.466 28.079 0.557 1.00 13.31 H new ATOM 0 HA SER A 26 4.388 29.988 -1.261 1.00 42.54 H new ATOM 0 HB2 SER A 26 4.689 27.178 -2.104 1.00 12.44 H new ATOM 0 HB3 SER A 26 5.918 28.370 -1.734 1.00 12.44 H new ATOM 0 HG SER A 26 5.905 26.622 -0.211 1.00 1.23 H new ATOM 401 N GLN A 27 1.937 28.118 -2.360 1.00 33.13 N ATOM 402 CA GLN A 27 0.973 27.953 -3.441 1.00 53.32 C ATOM 403 C GLN A 27 -0.175 27.044 -3.014 1.00 1.22 C ATOM 404 O GLN A 27 -0.331 25.927 -3.507 1.00 51.14 O ATOM 405 CB GLN A 27 1.659 27.379 -4.682 1.00 22.14 C ATOM 406 CG GLN A 27 1.000 27.792 -5.988 1.00 21.32 C ATOM 407 CD GLN A 27 1.914 28.623 -6.866 1.00 4.55 C ATOM 408 OE1 GLN A 27 2.749 28.088 -7.596 1.00 13.01 O ATOM 409 NE2 GLN A 27 1.762 29.941 -6.799 1.00 31.11 N ATOM 0 H GLN A 27 1.737 27.563 -1.528 1.00 33.13 H new ATOM 0 HA GLN A 27 0.565 28.935 -3.682 1.00 53.32 H new ATOM 0 HB2 GLN A 27 2.700 27.701 -4.693 1.00 22.14 H new ATOM 0 HB3 GLN A 27 1.662 26.291 -4.615 1.00 22.14 H new ATOM 0 HG2 GLN A 27 0.692 26.900 -6.533 1.00 21.32 H new ATOM 0 HG3 GLN A 27 0.096 28.361 -5.770 1.00 21.32 H new ATOM 0 HE21 GLN A 27 1.057 30.342 -6.180 1.00 31.11 H new ATOM 0 HE22 GLN A 27 2.350 30.552 -7.366 1.00 31.11 H new ATOM 418 N PRO A 28 -0.998 27.532 -2.074 1.00 31.33 N ATOM 419 CA PRO A 28 -2.146 26.779 -1.559 1.00 50.12 C ATOM 420 C PRO A 28 -3.256 26.634 -2.595 1.00 43.41 C ATOM 421 O PRO A 28 -4.259 27.346 -2.548 1.00 34.23 O ATOM 422 CB PRO A 28 -2.625 27.626 -0.378 1.00 3.24 C ATOM 423 CG PRO A 28 -2.167 29.008 -0.692 1.00 41.53 C ATOM 424 CD PRO A 28 -0.872 28.855 -1.441 1.00 42.40 C ATOM 0 HA PRO A 28 -1.875 25.759 -1.287 1.00 50.12 H new ATOM 0 HB2 PRO A 28 -3.709 27.582 -0.274 1.00 3.24 H new ATOM 0 HB3 PRO A 28 -2.200 27.272 0.561 1.00 3.24 H new ATOM 0 HG2 PRO A 28 -2.906 29.537 -1.294 1.00 41.53 H new ATOM 0 HG3 PRO A 28 -2.024 29.588 0.220 1.00 41.53 H new ATOM 0 HD2 PRO A 28 -0.741 29.644 -2.182 1.00 42.40 H new ATOM 0 HD3 PRO A 28 -0.013 28.900 -0.772 1.00 42.40 H new ATOM 432 N PHE A 29 -3.069 25.709 -3.530 1.00 61.22 N ATOM 433 CA PHE A 29 -4.054 25.471 -4.578 1.00 55.34 C ATOM 434 C PHE A 29 -3.657 24.274 -5.437 1.00 35.00 C ATOM 435 O PHE A 29 -3.627 24.360 -6.665 1.00 32.23 O ATOM 436 CB PHE A 29 -4.206 26.715 -5.457 1.00 11.14 C ATOM 437 CG PHE A 29 -5.503 26.760 -6.214 1.00 24.05 C ATOM 438 CD1 PHE A 29 -6.706 26.912 -5.544 1.00 51.31 C ATOM 439 CD2 PHE A 29 -5.518 26.649 -7.595 1.00 1.34 C ATOM 440 CE1 PHE A 29 -7.901 26.954 -6.238 1.00 0.44 C ATOM 441 CE2 PHE A 29 -6.710 26.691 -8.293 1.00 45.25 C ATOM 442 CZ PHE A 29 -7.903 26.843 -7.614 1.00 64.41 C ATOM 0 H PHE A 29 -2.244 25.112 -3.583 1.00 61.22 H new ATOM 0 HA PHE A 29 -5.009 25.252 -4.100 1.00 55.34 H new ATOM 0 HB2 PHE A 29 -4.129 27.604 -4.831 1.00 11.14 H new ATOM 0 HB3 PHE A 29 -3.379 26.752 -6.166 1.00 11.14 H new ATOM 0 HD1 PHE A 29 -6.710 26.999 -4.467 1.00 51.31 H new ATOM 0 HD2 PHE A 29 -4.589 26.528 -8.132 1.00 1.34 H new ATOM 0 HE1 PHE A 29 -8.832 27.074 -5.704 1.00 0.44 H new ATOM 0 HE2 PHE A 29 -6.709 26.605 -9.370 1.00 45.25 H new ATOM 0 HZ PHE A 29 -8.835 26.875 -8.158 1.00 64.41 H new ATOM 452 N ARG A 30 -3.353 23.159 -4.782 1.00 32.53 N ATOM 453 CA ARG A 30 -2.956 21.944 -5.484 1.00 12.12 C ATOM 454 C ARG A 30 -4.160 21.038 -5.727 1.00 0.40 C ATOM 455 O ARG A 30 -4.906 20.718 -4.802 1.00 14.42 O ATOM 456 CB ARG A 30 -1.892 21.191 -4.683 1.00 42.53 C ATOM 457 CG ARG A 30 -0.698 20.755 -5.517 1.00 1.42 C ATOM 458 CD ARG A 30 -1.130 19.941 -6.726 1.00 33.32 C ATOM 459 NE ARG A 30 -1.053 20.713 -7.963 1.00 12.54 N ATOM 460 CZ ARG A 30 0.091 21.081 -8.530 1.00 34.34 C ATOM 461 NH1 ARG A 30 1.247 20.747 -7.974 1.00 21.22 N ATOM 462 NH2 ARG A 30 0.079 21.783 -9.655 1.00 50.13 N ATOM 0 H ARG A 30 -3.374 23.071 -3.766 1.00 32.53 H new ATOM 0 HA ARG A 30 -2.539 22.232 -6.449 1.00 12.12 H new ATOM 0 HB2 ARG A 30 -1.544 21.827 -3.870 1.00 42.53 H new ATOM 0 HB3 ARG A 30 -2.347 20.312 -4.227 1.00 42.53 H new ATOM 0 HG2 ARG A 30 -0.144 21.633 -5.848 1.00 1.42 H new ATOM 0 HG3 ARG A 30 -0.020 20.163 -4.902 1.00 1.42 H new ATOM 0 HD2 ARG A 30 -0.499 19.056 -6.811 1.00 33.32 H new ATOM 0 HD3 ARG A 30 -2.152 19.591 -6.581 1.00 33.32 H new ATOM 0 HE ARG A 30 -1.925 20.985 -8.417 1.00 12.54 H new ATOM 0 HH11 ARG A 30 1.260 20.206 -7.109 1.00 21.22 H new ATOM 0 HH12 ARG A 30 2.124 21.031 -8.411 1.00 21.22 H new ATOM 0 HH21 ARG A 30 -0.809 22.041 -10.086 1.00 50.13 H new ATOM 0 HH22 ARG A 30 0.958 22.065 -10.090 1.00 50.13 H new ATOM 476 N VAL A 31 -4.343 20.629 -6.978 1.00 61.03 N ATOM 477 CA VAL A 31 -5.455 19.760 -7.344 1.00 12.04 C ATOM 478 C VAL A 31 -4.968 18.354 -7.675 1.00 32.24 C ATOM 479 O VAL A 31 -3.970 18.181 -8.374 1.00 24.51 O ATOM 480 CB VAL A 31 -6.232 20.320 -8.550 1.00 70.30 C ATOM 481 CG1 VAL A 31 -5.373 20.278 -9.804 1.00 43.44 C ATOM 482 CG2 VAL A 31 -7.526 19.547 -8.755 1.00 13.02 C ATOM 0 H VAL A 31 -3.735 20.886 -7.756 1.00 61.03 H new ATOM 0 HA VAL A 31 -6.120 19.717 -6.481 1.00 12.04 H new ATOM 0 HB VAL A 31 -6.485 21.360 -8.346 1.00 70.30 H new ATOM 0 HG11 VAL A 31 -5.938 20.678 -10.646 1.00 43.44 H new ATOM 0 HG12 VAL A 31 -4.476 20.879 -9.651 1.00 43.44 H new ATOM 0 HG13 VAL A 31 -5.087 19.247 -10.015 1.00 43.44 H new ATOM 0 HG21 VAL A 31 -8.062 19.956 -9.611 1.00 13.02 H new ATOM 0 HG22 VAL A 31 -7.298 18.497 -8.938 1.00 13.02 H new ATOM 0 HG23 VAL A 31 -8.147 19.633 -7.863 1.00 13.02 H new ATOM 492 N ILE A 32 -5.680 17.353 -7.168 1.00 71.32 N ATOM 493 CA ILE A 32 -5.321 15.961 -7.412 1.00 12.13 C ATOM 494 C ILE A 32 -6.412 15.241 -8.197 1.00 52.31 C ATOM 495 O ILE A 32 -7.554 15.145 -7.748 1.00 31.25 O ATOM 496 CB ILE A 32 -5.070 15.206 -6.093 1.00 61.44 C ATOM 497 CG1 ILE A 32 -6.270 15.357 -5.156 1.00 50.25 C ATOM 498 CG2 ILE A 32 -3.801 15.714 -5.425 1.00 15.32 C ATOM 499 CD1 ILE A 32 -6.885 14.038 -4.743 1.00 44.25 C ATOM 0 H ILE A 32 -6.508 17.480 -6.586 1.00 71.32 H new ATOM 0 HA ILE A 32 -4.402 15.970 -7.998 1.00 12.13 H new ATOM 0 HB ILE A 32 -4.940 14.147 -6.317 1.00 61.44 H new ATOM 0 HG12 ILE A 32 -5.957 15.898 -4.263 1.00 50.25 H new ATOM 0 HG13 ILE A 32 -7.030 15.965 -5.647 1.00 50.25 H new ATOM 0 HG21 ILE A 32 -3.637 15.171 -4.494 1.00 15.32 H new ATOM 0 HG22 ILE A 32 -2.952 15.558 -6.090 1.00 15.32 H new ATOM 0 HG23 ILE A 32 -3.903 16.778 -5.211 1.00 15.32 H new ATOM 0 HD11 ILE A 32 -7.730 14.222 -4.079 1.00 44.25 H new ATOM 0 HD12 ILE A 32 -7.229 13.504 -5.629 1.00 44.25 H new ATOM 0 HD13 ILE A 32 -6.140 13.436 -4.223 1.00 44.25 H new ATOM 511 N SER A 33 -6.052 14.736 -9.372 1.00 71.34 N ATOM 512 CA SER A 33 -7.001 14.026 -10.222 1.00 62.32 C ATOM 513 C SER A 33 -6.714 12.527 -10.223 1.00 0.24 C ATOM 514 O SER A 33 -5.625 12.093 -10.599 1.00 71.15 O ATOM 515 CB SER A 33 -6.943 14.568 -11.652 1.00 23.14 C ATOM 516 OG SER A 33 -6.565 15.934 -11.664 1.00 32.31 O ATOM 0 H SER A 33 -5.110 14.805 -9.757 1.00 71.34 H new ATOM 0 HA SER A 33 -8.001 14.187 -9.820 1.00 62.32 H new ATOM 0 HB2 SER A 33 -6.231 13.985 -12.237 1.00 23.14 H new ATOM 0 HB3 SER A 33 -7.917 14.453 -12.128 1.00 23.14 H new ATOM 0 HG SER A 33 -6.533 16.257 -12.589 1.00 32.31 H new ATOM 522 N ILE A 34 -7.699 11.743 -9.798 1.00 25.35 N ATOM 523 CA ILE A 34 -7.553 10.293 -9.750 1.00 11.25 C ATOM 524 C ILE A 34 -8.895 9.599 -9.953 1.00 74.04 C ATOM 525 O ILE A 34 -9.952 10.211 -9.801 1.00 1.41 O ATOM 526 CB ILE A 34 -6.948 9.832 -8.411 1.00 4.24 C ATOM 527 CG1 ILE A 34 -7.899 10.157 -7.257 1.00 4.21 C ATOM 528 CG2 ILE A 34 -5.593 10.488 -8.188 1.00 61.13 C ATOM 529 CD1 ILE A 34 -7.388 9.704 -5.907 1.00 40.40 C ATOM 0 H ILE A 34 -8.606 12.087 -9.482 1.00 25.35 H new ATOM 0 HA ILE A 34 -6.877 10.017 -10.559 1.00 11.25 H new ATOM 0 HB ILE A 34 -6.806 8.752 -8.447 1.00 4.24 H new ATOM 0 HG12 ILE A 34 -8.069 11.233 -7.229 1.00 4.21 H new ATOM 0 HG13 ILE A 34 -8.863 9.686 -7.448 1.00 4.21 H new ATOM 0 HG21 ILE A 34 -5.178 10.152 -7.238 1.00 61.13 H new ATOM 0 HG22 ILE A 34 -4.917 10.211 -8.997 1.00 61.13 H new ATOM 0 HG23 ILE A 34 -5.712 11.571 -8.169 1.00 61.13 H new ATOM 0 HD11 ILE A 34 -8.113 9.967 -5.137 1.00 40.40 H new ATOM 0 HD12 ILE A 34 -7.244 8.624 -5.916 1.00 40.40 H new ATOM 0 HD13 ILE A 34 -6.438 10.195 -5.694 1.00 40.40 H new ATOM 541 N ALA A 35 -8.846 8.316 -10.297 1.00 42.23 N ATOM 542 CA ALA A 35 -10.058 7.537 -10.518 1.00 43.11 C ATOM 543 C ALA A 35 -10.964 7.573 -9.293 1.00 34.14 C ATOM 544 O ALA A 35 -10.488 7.597 -8.158 1.00 73.42 O ATOM 545 CB ALA A 35 -9.704 6.101 -10.874 1.00 32.43 C ATOM 0 H ALA A 35 -7.980 7.794 -10.429 1.00 42.23 H new ATOM 0 HA ALA A 35 -10.601 7.983 -11.351 1.00 43.11 H new ATOM 0 HB1 ALA A 35 -10.618 5.530 -11.036 1.00 32.43 H new ATOM 0 HB2 ALA A 35 -9.103 6.089 -11.783 1.00 32.43 H new ATOM 0 HB3 ALA A 35 -9.137 5.653 -10.058 1.00 32.43 H new ATOM 551 N GLU A 36 -12.272 7.577 -9.530 1.00 14.44 N ATOM 552 CA GLU A 36 -13.245 7.612 -8.444 1.00 2.14 C ATOM 553 C GLU A 36 -13.104 6.385 -7.548 1.00 21.23 C ATOM 554 O GLU A 36 -13.505 6.404 -6.385 1.00 31.03 O ATOM 555 CB GLU A 36 -14.666 7.687 -9.004 1.00 55.23 C ATOM 556 CG GLU A 36 -15.725 7.946 -7.946 1.00 14.11 C ATOM 557 CD GLU A 36 -16.989 7.140 -8.175 1.00 60.13 C ATOM 558 OE1 GLU A 36 -18.090 7.688 -7.958 1.00 3.45 O ATOM 559 OE2 GLU A 36 -16.878 5.961 -8.572 1.00 44.21 O ATOM 0 H GLU A 36 -12.682 7.556 -10.464 1.00 14.44 H new ATOM 0 HA GLU A 36 -13.051 8.502 -7.846 1.00 2.14 H new ATOM 0 HB2 GLU A 36 -14.711 8.478 -9.752 1.00 55.23 H new ATOM 0 HB3 GLU A 36 -14.896 6.752 -9.515 1.00 55.23 H new ATOM 0 HG2 GLU A 36 -15.318 7.705 -6.964 1.00 14.11 H new ATOM 0 HG3 GLU A 36 -15.972 9.008 -7.937 1.00 14.11 H new ATOM 566 N GLU A 37 -12.531 5.319 -8.099 1.00 54.33 N ATOM 567 CA GLU A 37 -12.339 4.083 -7.351 1.00 20.14 C ATOM 568 C GLU A 37 -10.854 3.783 -7.169 1.00 21.35 C ATOM 569 O GLU A 37 -10.480 2.707 -6.702 1.00 60.13 O ATOM 570 CB GLU A 37 -13.023 2.916 -8.066 1.00 65.20 C ATOM 571 CG GLU A 37 -14.169 2.306 -7.277 1.00 62.41 C ATOM 572 CD GLU A 37 -14.030 0.805 -7.112 1.00 64.31 C ATOM 573 OE1 GLU A 37 -13.838 0.111 -8.133 1.00 54.52 O ATOM 574 OE2 GLU A 37 -14.112 0.323 -5.963 1.00 11.41 O ATOM 0 H GLU A 37 -12.192 5.287 -9.060 1.00 54.33 H new ATOM 0 HA GLU A 37 -12.790 4.210 -6.367 1.00 20.14 H new ATOM 0 HB2 GLU A 37 -13.399 3.261 -9.029 1.00 65.20 H new ATOM 0 HB3 GLU A 37 -12.283 2.143 -8.272 1.00 65.20 H new ATOM 0 HG2 GLU A 37 -14.217 2.773 -6.293 1.00 62.41 H new ATOM 0 HG3 GLU A 37 -15.110 2.527 -7.781 1.00 62.41 H new ATOM 581 N ALA A 38 -10.012 4.742 -7.541 1.00 34.35 N ATOM 582 CA ALA A 38 -8.569 4.581 -7.417 1.00 41.53 C ATOM 583 C ALA A 38 -8.117 4.772 -5.974 1.00 23.15 C ATOM 584 O ALA A 38 -8.785 5.422 -5.169 1.00 65.00 O ATOM 585 CB ALA A 38 -7.849 5.562 -8.332 1.00 32.15 C ATOM 0 H ALA A 38 -10.305 5.638 -7.931 1.00 34.35 H new ATOM 0 HA ALA A 38 -8.314 3.565 -7.718 1.00 41.53 H new ATOM 0 HB1 ALA A 38 -6.772 5.431 -8.230 1.00 32.15 H new ATOM 0 HB2 ALA A 38 -8.141 5.376 -9.366 1.00 32.15 H new ATOM 0 HB3 ALA A 38 -8.119 6.582 -8.056 1.00 32.15 H new ATOM 591 N PRO A 39 -6.956 4.192 -5.635 1.00 23.32 N ATOM 592 CA PRO A 39 -6.389 4.284 -4.286 1.00 63.42 C ATOM 593 C PRO A 39 -5.894 5.689 -3.960 1.00 35.34 C ATOM 594 O PRO A 39 -5.408 6.406 -4.835 1.00 72.00 O ATOM 595 CB PRO A 39 -5.216 3.300 -4.327 1.00 12.34 C ATOM 596 CG PRO A 39 -4.832 3.228 -5.764 1.00 73.52 C ATOM 597 CD PRO A 39 -6.107 3.402 -6.543 1.00 20.34 C ATOM 0 HA PRO A 39 -7.127 4.057 -3.517 1.00 63.42 H new ATOM 0 HB2 PRO A 39 -4.386 3.648 -3.712 1.00 12.34 H new ATOM 0 HB3 PRO A 39 -5.507 2.321 -3.945 1.00 12.34 H new ATOM 0 HG2 PRO A 39 -4.112 4.007 -6.015 1.00 73.52 H new ATOM 0 HG3 PRO A 39 -4.361 2.272 -5.995 1.00 73.52 H new ATOM 0 HD2 PRO A 39 -5.934 3.922 -7.486 1.00 20.34 H new ATOM 0 HD3 PRO A 39 -6.563 2.443 -6.787 1.00 20.34 H new ATOM 605 N LEU A 40 -6.021 6.076 -2.695 1.00 54.44 N ATOM 606 CA LEU A 40 -5.587 7.397 -2.253 1.00 23.22 C ATOM 607 C LEU A 40 -4.149 7.669 -2.682 1.00 64.11 C ATOM 608 O LEU A 40 -3.773 8.812 -2.946 1.00 30.23 O ATOM 609 CB LEU A 40 -5.708 7.512 -0.732 1.00 64.02 C ATOM 610 CG LEU A 40 -5.308 8.858 -0.127 1.00 51.32 C ATOM 611 CD1 LEU A 40 -3.801 8.931 0.066 1.00 34.51 C ATOM 612 CD2 LEU A 40 -5.790 10.002 -1.007 1.00 52.41 C ATOM 0 H LEU A 40 -6.420 5.495 -1.958 1.00 54.44 H new ATOM 0 HA LEU A 40 -6.233 8.140 -2.720 1.00 23.22 H new ATOM 0 HB2 LEU A 40 -6.741 7.303 -0.453 1.00 64.02 H new ATOM 0 HB3 LEU A 40 -5.092 6.735 -0.279 1.00 64.02 H new ATOM 0 HG LEU A 40 -5.783 8.951 0.849 1.00 51.32 H new ATOM 0 HD11 LEU A 40 -3.536 9.896 0.497 1.00 34.51 H new ATOM 0 HD12 LEU A 40 -3.481 8.133 0.737 1.00 34.51 H new ATOM 0 HD13 LEU A 40 -3.305 8.816 -0.898 1.00 34.51 H new ATOM 0 HD21 LEU A 40 -5.497 10.952 -0.561 1.00 52.41 H new ATOM 0 HD22 LEU A 40 -5.343 9.912 -1.997 1.00 52.41 H new ATOM 0 HD23 LEU A 40 -6.876 9.962 -1.094 1.00 52.41 H new ATOM 624 N THR A 41 -3.347 6.611 -2.753 1.00 20.44 N ATOM 625 CA THR A 41 -1.951 6.735 -3.151 1.00 64.30 C ATOM 626 C THR A 41 -1.818 7.514 -4.454 1.00 41.42 C ATOM 627 O THR A 41 -0.816 8.190 -4.685 1.00 25.01 O ATOM 628 CB THR A 41 -1.291 5.354 -3.323 1.00 24.42 C ATOM 629 OG1 THR A 41 -2.028 4.364 -2.596 1.00 50.41 O ATOM 630 CG2 THR A 41 0.150 5.378 -2.836 1.00 45.22 C ATOM 0 H THR A 41 -3.641 5.658 -2.540 1.00 20.44 H new ATOM 0 HA THR A 41 -1.442 7.276 -2.353 1.00 64.30 H new ATOM 0 HB THR A 41 -1.296 5.104 -4.384 1.00 24.42 H new ATOM 0 HG1 THR A 41 -1.603 3.489 -2.712 1.00 50.41 H new ATOM 0 HG21 THR A 41 0.595 4.392 -2.968 1.00 45.22 H new ATOM 0 HG22 THR A 41 0.716 6.111 -3.411 1.00 45.22 H new ATOM 0 HG23 THR A 41 0.173 5.648 -1.780 1.00 45.22 H new ATOM 638 N ALA A 42 -2.836 7.417 -5.303 1.00 63.41 N ATOM 639 CA ALA A 42 -2.833 8.115 -6.582 1.00 53.43 C ATOM 640 C ALA A 42 -2.712 9.622 -6.384 1.00 44.54 C ATOM 641 O ALA A 42 -2.045 10.308 -7.159 1.00 71.12 O ATOM 642 CB ALA A 42 -4.094 7.784 -7.367 1.00 12.31 C ATOM 0 H ALA A 42 -3.673 6.862 -5.128 1.00 63.41 H new ATOM 0 HA ALA A 42 -1.966 7.778 -7.150 1.00 53.43 H new ATOM 0 HB1 ALA A 42 -4.078 8.312 -8.320 1.00 12.31 H new ATOM 0 HB2 ALA A 42 -4.139 6.710 -7.548 1.00 12.31 H new ATOM 0 HB3 ALA A 42 -4.970 8.092 -6.796 1.00 12.31 H new ATOM 648 N ALA A 43 -3.360 10.132 -5.342 1.00 53.14 N ATOM 649 CA ALA A 43 -3.323 11.558 -5.042 1.00 52.04 C ATOM 650 C ALA A 43 -1.996 11.950 -4.403 1.00 4.13 C ATOM 651 O ALA A 43 -1.546 13.090 -4.530 1.00 64.45 O ATOM 652 CB ALA A 43 -4.482 11.936 -4.132 1.00 11.12 C ATOM 0 H ALA A 43 -3.917 9.579 -4.691 1.00 53.14 H new ATOM 0 HA ALA A 43 -3.419 12.104 -5.980 1.00 52.04 H new ATOM 0 HB1 ALA A 43 -4.442 13.004 -3.916 1.00 11.12 H new ATOM 0 HB2 ALA A 43 -5.425 11.701 -4.626 1.00 11.12 H new ATOM 0 HB3 ALA A 43 -4.411 11.375 -3.200 1.00 11.12 H new ATOM 658 N LEU A 44 -1.373 11.000 -3.714 1.00 11.24 N ATOM 659 CA LEU A 44 -0.096 11.247 -3.053 1.00 31.44 C ATOM 660 C LEU A 44 0.904 11.875 -4.018 1.00 22.04 C ATOM 661 O LEU A 44 1.794 12.620 -3.607 1.00 12.32 O ATOM 662 CB LEU A 44 0.470 9.941 -2.491 1.00 43.33 C ATOM 663 CG LEU A 44 1.730 10.070 -1.634 1.00 61.13 C ATOM 664 CD1 LEU A 44 1.363 10.322 -0.180 1.00 60.31 C ATOM 665 CD2 LEU A 44 2.591 8.821 -1.761 1.00 12.35 C ATOM 0 H LEU A 44 -1.731 10.052 -3.599 1.00 11.24 H new ATOM 0 HA LEU A 44 -0.268 11.944 -2.233 1.00 31.44 H new ATOM 0 HB2 LEU A 44 -0.304 9.460 -1.893 1.00 43.33 H new ATOM 0 HB3 LEU A 44 0.689 9.274 -3.325 1.00 43.33 H new ATOM 0 HG LEU A 44 2.306 10.922 -1.994 1.00 61.13 H new ATOM 0 HD11 LEU A 44 2.272 10.411 0.415 1.00 60.31 H new ATOM 0 HD12 LEU A 44 0.788 11.245 -0.105 1.00 60.31 H new ATOM 0 HD13 LEU A 44 0.765 9.491 0.194 1.00 60.31 H new ATOM 0 HD21 LEU A 44 3.483 8.930 -1.145 1.00 12.35 H new ATOM 0 HD22 LEU A 44 2.023 7.952 -1.427 1.00 12.35 H new ATOM 0 HD23 LEU A 44 2.884 8.685 -2.802 1.00 12.35 H new ATOM 677 N ARG A 45 0.751 11.571 -5.302 1.00 74.41 N ATOM 678 CA ARG A 45 1.640 12.106 -6.326 1.00 12.32 C ATOM 679 C ARG A 45 1.753 13.623 -6.208 1.00 2.43 C ATOM 680 O ARG A 45 2.847 14.164 -6.041 1.00 31.44 O ATOM 681 CB ARG A 45 1.134 11.729 -7.719 1.00 52.03 C ATOM 682 CG ARG A 45 2.154 10.972 -8.553 1.00 62.24 C ATOM 683 CD ARG A 45 2.884 11.896 -9.515 1.00 51.33 C ATOM 684 NE ARG A 45 4.334 11.810 -9.364 1.00 32.31 N ATOM 685 CZ ARG A 45 5.195 12.212 -10.292 1.00 10.22 C ATOM 686 NH1 ARG A 45 4.754 12.727 -11.431 1.00 61.35 N ATOM 687 NH2 ARG A 45 6.500 12.101 -10.080 1.00 62.24 N ATOM 0 H ARG A 45 0.019 10.956 -5.658 1.00 74.41 H new ATOM 0 HA ARG A 45 2.629 11.672 -6.176 1.00 12.32 H new ATOM 0 HB2 ARG A 45 0.236 11.120 -7.617 1.00 52.03 H new ATOM 0 HB3 ARG A 45 0.845 12.636 -8.249 1.00 52.03 H new ATOM 0 HG2 ARG A 45 2.875 10.487 -7.895 1.00 62.24 H new ATOM 0 HG3 ARG A 45 1.653 10.183 -9.114 1.00 62.24 H new ATOM 0 HD2 ARG A 45 2.611 11.642 -10.539 1.00 51.33 H new ATOM 0 HD3 ARG A 45 2.562 12.923 -9.345 1.00 51.33 H new ATOM 0 HE ARG A 45 4.706 11.420 -8.498 1.00 32.31 H new ATOM 0 HH11 ARG A 45 3.751 12.815 -11.596 1.00 61.35 H new ATOM 0 HH12 ARG A 45 5.417 13.035 -12.142 1.00 61.35 H new ATOM 0 HH21 ARG A 45 6.843 11.707 -9.204 1.00 62.24 H new ATOM 0 HH22 ARG A 45 7.161 12.410 -10.793 1.00 62.24 H new ATOM 701 N PHE A 46 0.616 14.305 -6.296 1.00 50.21 N ATOM 702 CA PHE A 46 0.587 15.760 -6.201 1.00 5.12 C ATOM 703 C PHE A 46 0.487 16.208 -4.745 1.00 63.15 C ATOM 704 O PHE A 46 1.063 17.224 -4.357 1.00 34.24 O ATOM 705 CB PHE A 46 -0.589 16.322 -7.001 1.00 74.11 C ATOM 706 CG PHE A 46 -0.216 16.762 -8.388 1.00 4.24 C ATOM 707 CD1 PHE A 46 -0.880 16.255 -9.493 1.00 12.14 C ATOM 708 CD2 PHE A 46 0.801 17.683 -8.586 1.00 32.20 C ATOM 709 CE1 PHE A 46 -0.539 16.658 -10.770 1.00 10.41 C ATOM 710 CE2 PHE A 46 1.146 18.090 -9.861 1.00 10.13 C ATOM 711 CZ PHE A 46 0.476 17.576 -10.954 1.00 42.41 C ATOM 0 H PHE A 46 -0.298 13.873 -6.433 1.00 50.21 H new ATOM 0 HA PHE A 46 1.518 16.145 -6.618 1.00 5.12 H new ATOM 0 HB2 PHE A 46 -1.369 15.563 -7.067 1.00 74.11 H new ATOM 0 HB3 PHE A 46 -1.013 17.169 -6.462 1.00 74.11 H new ATOM 0 HD1 PHE A 46 -1.674 15.536 -9.355 1.00 12.14 H new ATOM 0 HD2 PHE A 46 1.329 18.087 -7.735 1.00 32.20 H new ATOM 0 HE1 PHE A 46 -1.065 16.256 -11.623 1.00 10.41 H new ATOM 0 HE2 PHE A 46 1.939 18.809 -10.003 1.00 10.13 H new ATOM 0 HZ PHE A 46 0.746 17.892 -11.951 1.00 42.41 H new ATOM 721 N ALA A 47 -0.248 15.442 -3.946 1.00 71.13 N ATOM 722 CA ALA A 47 -0.423 15.758 -2.534 1.00 71.01 C ATOM 723 C ALA A 47 0.920 15.817 -1.814 1.00 51.23 C ATOM 724 O ALA A 47 1.092 16.579 -0.864 1.00 1.34 O ATOM 725 CB ALA A 47 -1.334 14.734 -1.873 1.00 62.01 C ATOM 0 H ALA A 47 -0.732 14.598 -4.253 1.00 71.13 H new ATOM 0 HA ALA A 47 -0.888 16.741 -2.462 1.00 71.01 H new ATOM 0 HB1 ALA A 47 -1.456 14.982 -0.819 1.00 62.01 H new ATOM 0 HB2 ALA A 47 -2.308 14.743 -2.363 1.00 62.01 H new ATOM 0 HB3 ALA A 47 -0.892 13.742 -1.963 1.00 62.01 H new ATOM 731 N ALA A 48 1.868 15.007 -2.273 1.00 43.34 N ATOM 732 CA ALA A 48 3.196 14.969 -1.674 1.00 23.12 C ATOM 733 C ALA A 48 3.857 16.343 -1.715 1.00 21.41 C ATOM 734 O ALA A 48 4.665 16.678 -0.850 1.00 12.45 O ATOM 735 CB ALA A 48 4.066 13.941 -2.383 1.00 0.33 C ATOM 0 H ALA A 48 1.741 14.368 -3.058 1.00 43.34 H new ATOM 0 HA ALA A 48 3.088 14.678 -0.629 1.00 23.12 H new ATOM 0 HB1 ALA A 48 5.055 13.924 -1.925 1.00 0.33 H new ATOM 0 HB2 ALA A 48 3.609 12.955 -2.296 1.00 0.33 H new ATOM 0 HB3 ALA A 48 4.158 14.207 -3.436 1.00 0.33 H new ATOM 741 N GLU A 49 3.509 17.132 -2.726 1.00 73.13 N ATOM 742 CA GLU A 49 4.070 18.469 -2.880 1.00 24.32 C ATOM 743 C GLU A 49 3.344 19.470 -1.986 1.00 52.04 C ATOM 744 O GLU A 49 3.969 20.320 -1.354 1.00 22.04 O ATOM 745 CB GLU A 49 3.986 18.917 -4.340 1.00 63.14 C ATOM 746 CG GLU A 49 4.335 17.822 -5.334 1.00 72.41 C ATOM 747 CD GLU A 49 4.804 18.371 -6.667 1.00 43.22 C ATOM 748 OE1 GLU A 49 4.187 18.032 -7.698 1.00 53.25 O ATOM 749 OE2 GLU A 49 5.789 19.139 -6.679 1.00 54.34 O ATOM 0 H GLU A 49 2.841 16.869 -3.451 1.00 73.13 H new ATOM 0 HA GLU A 49 5.117 18.432 -2.579 1.00 24.32 H new ATOM 0 HB2 GLU A 49 2.976 19.273 -4.544 1.00 63.14 H new ATOM 0 HB3 GLU A 49 4.659 19.761 -4.491 1.00 63.14 H new ATOM 0 HG2 GLU A 49 5.115 17.189 -4.912 1.00 72.41 H new ATOM 0 HG3 GLU A 49 3.462 17.189 -5.493 1.00 72.41 H new ATOM 756 N GLU A 50 2.020 19.362 -1.942 1.00 15.13 N ATOM 757 CA GLU A 50 1.208 20.259 -1.127 1.00 72.14 C ATOM 758 C GLU A 50 1.546 20.105 0.353 1.00 55.22 C ATOM 759 O GLU A 50 1.679 21.092 1.076 1.00 3.33 O ATOM 760 CB GLU A 50 -0.280 19.983 -1.354 1.00 31.24 C ATOM 761 CG GLU A 50 -1.196 20.975 -0.657 1.00 31.13 C ATOM 762 CD GLU A 50 -1.049 22.384 -1.197 1.00 60.13 C ATOM 763 OE1 GLU A 50 0.002 23.009 -0.944 1.00 42.01 O ATOM 764 OE2 GLU A 50 -1.984 22.862 -1.873 1.00 32.52 O ATOM 0 H GLU A 50 1.487 18.663 -2.460 1.00 15.13 H new ATOM 0 HA GLU A 50 1.430 21.283 -1.427 1.00 72.14 H new ATOM 0 HB2 GLU A 50 -0.485 20.002 -2.424 1.00 31.24 H new ATOM 0 HB3 GLU A 50 -0.512 18.978 -1.002 1.00 31.24 H new ATOM 0 HG2 GLU A 50 -2.231 20.652 -0.773 1.00 31.13 H new ATOM 0 HG3 GLU A 50 -0.980 20.975 0.411 1.00 31.13 H new ATOM 771 N PHE A 51 1.681 18.860 0.796 1.00 25.13 N ATOM 772 CA PHE A 51 2.002 18.575 2.190 1.00 11.53 C ATOM 773 C PHE A 51 3.512 18.489 2.395 1.00 54.54 C ATOM 774 O PHE A 51 4.004 18.586 3.518 1.00 15.40 O ATOM 775 CB PHE A 51 1.341 17.268 2.631 1.00 31.11 C ATOM 776 CG PHE A 51 0.440 17.424 3.822 1.00 34.34 C ATOM 777 CD1 PHE A 51 -0.827 16.861 3.828 1.00 43.40 C ATOM 778 CD2 PHE A 51 0.858 18.133 4.937 1.00 44.05 C ATOM 779 CE1 PHE A 51 -1.659 17.003 4.923 1.00 64.52 C ATOM 780 CE2 PHE A 51 0.031 18.277 6.034 1.00 2.13 C ATOM 781 CZ PHE A 51 -1.229 17.712 6.027 1.00 52.30 C ATOM 0 H PHE A 51 1.573 18.032 0.210 1.00 25.13 H new ATOM 0 HA PHE A 51 1.617 19.393 2.799 1.00 11.53 H new ATOM 0 HB2 PHE A 51 0.764 16.863 1.799 1.00 31.11 H new ATOM 0 HB3 PHE A 51 2.117 16.539 2.865 1.00 31.11 H new ATOM 0 HD1 PHE A 51 -1.168 16.305 2.967 1.00 43.40 H new ATOM 0 HD2 PHE A 51 1.842 18.578 4.948 1.00 44.05 H new ATOM 0 HE1 PHE A 51 -2.644 16.560 4.915 1.00 64.52 H new ATOM 0 HE2 PHE A 51 0.370 18.831 6.897 1.00 2.13 H new ATOM 0 HZ PHE A 51 -1.877 17.825 6.884 1.00 52.30 H new ATOM 791 N GLY A 52 4.242 18.306 1.299 1.00 52.04 N ATOM 792 CA GLY A 52 5.688 18.209 1.378 1.00 14.02 C ATOM 793 C GLY A 52 6.147 16.921 2.031 1.00 23.33 C ATOM 794 O GLY A 52 7.328 16.761 2.341 1.00 44.21 O ATOM 0 H GLY A 52 3.858 18.223 0.358 1.00 52.04 H new ATOM 0 HA2 GLY A 52 6.109 18.274 0.375 1.00 14.02 H new ATOM 0 HA3 GLY A 52 6.076 19.057 1.942 1.00 14.02 H new ATOM 798 N ILE A 53 5.213 16.000 2.243 1.00 54.31 N ATOM 799 CA ILE A 53 5.529 14.720 2.864 1.00 14.22 C ATOM 800 C ILE A 53 4.654 13.605 2.301 1.00 10.12 C ATOM 801 O ILE A 53 3.872 13.823 1.377 1.00 75.03 O ATOM 802 CB ILE A 53 5.348 14.777 4.393 1.00 64.53 C ATOM 803 CG1 ILE A 53 3.889 15.070 4.746 1.00 72.44 C ATOM 804 CG2 ILE A 53 6.266 15.829 4.996 1.00 45.22 C ATOM 805 CD1 ILE A 53 3.627 15.130 6.234 1.00 23.43 C ATOM 0 H ILE A 53 4.231 16.117 1.994 1.00 54.31 H new ATOM 0 HA ILE A 53 6.574 14.508 2.637 1.00 14.22 H new ATOM 0 HB ILE A 53 5.615 13.807 4.812 1.00 64.53 H new ATOM 0 HG12 ILE A 53 3.598 16.019 4.296 1.00 72.44 H new ATOM 0 HG13 ILE A 53 3.255 14.301 4.305 1.00 72.44 H new ATOM 0 HG21 ILE A 53 6.127 15.857 6.077 1.00 45.22 H new ATOM 0 HG22 ILE A 53 7.303 15.580 4.770 1.00 45.22 H new ATOM 0 HG23 ILE A 53 6.027 16.805 4.574 1.00 45.22 H new ATOM 0 HD11 ILE A 53 2.572 15.341 6.409 1.00 23.43 H new ATOM 0 HD12 ILE A 53 3.886 14.173 6.688 1.00 23.43 H new ATOM 0 HD13 ILE A 53 4.234 15.919 6.679 1.00 23.43 H new ATOM 817 N ALA A 54 4.791 12.410 2.867 1.00 43.24 N ATOM 818 CA ALA A 54 4.011 11.261 2.424 1.00 51.51 C ATOM 819 C ALA A 54 3.806 10.266 3.561 1.00 53.21 C ATOM 820 O ALA A 54 4.574 9.316 3.713 1.00 14.33 O ATOM 821 CB ALA A 54 4.692 10.584 1.244 1.00 55.34 C ATOM 0 H ALA A 54 5.435 12.213 3.633 1.00 43.24 H new ATOM 0 HA ALA A 54 3.031 11.618 2.108 1.00 51.51 H new ATOM 0 HB1 ALA A 54 4.099 9.728 0.924 1.00 55.34 H new ATOM 0 HB2 ALA A 54 4.781 11.292 0.420 1.00 55.34 H new ATOM 0 HB3 ALA A 54 5.685 10.246 1.542 1.00 55.34 H new ATOM 827 N SER A 55 2.765 10.491 4.357 1.00 25.23 N ATOM 828 CA SER A 55 2.462 9.616 5.484 1.00 62.13 C ATOM 829 C SER A 55 1.216 10.094 6.223 1.00 60.02 C ATOM 830 O SER A 55 0.138 9.515 6.086 1.00 42.14 O ATOM 831 CB SER A 55 3.650 9.559 6.447 1.00 74.24 C ATOM 832 OG SER A 55 4.438 8.404 6.217 1.00 73.34 O ATOM 0 H SER A 55 2.118 11.271 4.242 1.00 25.23 H new ATOM 0 HA SER A 55 2.271 8.616 5.095 1.00 62.13 H new ATOM 0 HB2 SER A 55 4.264 10.452 6.326 1.00 74.24 H new ATOM 0 HB3 SER A 55 3.289 9.558 7.475 1.00 74.24 H new ATOM 0 HG SER A 55 4.730 8.388 5.282 1.00 73.34 H new ATOM 838 N VAL A 56 1.372 11.155 7.008 1.00 40.42 N ATOM 839 CA VAL A 56 0.261 11.713 7.769 1.00 55.53 C ATOM 840 C VAL A 56 -0.754 12.384 6.849 1.00 63.54 C ATOM 841 O VAL A 56 -1.902 12.606 7.232 1.00 54.25 O ATOM 842 CB VAL A 56 0.751 12.739 8.808 1.00 53.21 C ATOM 843 CG1 VAL A 56 1.789 12.114 9.727 1.00 34.22 C ATOM 844 CG2 VAL A 56 1.313 13.971 8.115 1.00 1.44 C ATOM 0 H VAL A 56 2.257 11.645 7.134 1.00 40.42 H new ATOM 0 HA VAL A 56 -0.216 10.881 8.287 1.00 55.53 H new ATOM 0 HB VAL A 56 -0.099 13.048 9.417 1.00 53.21 H new ATOM 0 HG11 VAL A 56 2.124 12.854 10.454 1.00 34.22 H new ATOM 0 HG12 VAL A 56 1.348 11.265 10.249 1.00 34.22 H new ATOM 0 HG13 VAL A 56 2.640 11.775 9.137 1.00 34.22 H new ATOM 0 HG21 VAL A 56 1.655 14.686 8.864 1.00 1.44 H new ATOM 0 HG22 VAL A 56 2.151 13.681 7.481 1.00 1.44 H new ATOM 0 HG23 VAL A 56 0.537 14.430 7.503 1.00 1.44 H new ATOM 854 N ASP A 57 -0.322 12.702 5.634 1.00 43.35 N ATOM 855 CA ASP A 57 -1.193 13.346 4.657 1.00 64.12 C ATOM 856 C ASP A 57 -2.359 12.435 4.285 1.00 45.21 C ATOM 857 O ASP A 57 -3.357 12.887 3.725 1.00 75.41 O ATOM 858 CB ASP A 57 -0.400 13.719 3.403 1.00 72.32 C ATOM 859 CG ASP A 57 0.070 12.501 2.632 1.00 50.02 C ATOM 860 OD1 ASP A 57 0.360 11.468 3.272 1.00 0.50 O ATOM 861 OD2 ASP A 57 0.147 12.580 1.388 1.00 1.21 O ATOM 0 H ASP A 57 0.626 12.525 5.302 1.00 43.35 H new ATOM 0 HA ASP A 57 -1.594 14.254 5.107 1.00 64.12 H new ATOM 0 HB2 ASP A 57 -1.020 14.338 2.755 1.00 72.32 H new ATOM 0 HB3 ASP A 57 0.463 14.320 3.688 1.00 72.32 H new ATOM 866 N SER A 58 -2.223 11.151 4.599 1.00 32.22 N ATOM 867 CA SER A 58 -3.263 10.175 4.294 1.00 52.54 C ATOM 868 C SER A 58 -4.569 10.536 4.995 1.00 53.22 C ATOM 869 O SER A 58 -5.654 10.191 4.526 1.00 3.13 O ATOM 870 CB SER A 58 -2.816 8.774 4.713 1.00 74.30 C ATOM 871 OG SER A 58 -3.109 8.532 6.078 1.00 0.33 O ATOM 0 H SER A 58 -1.403 10.762 5.064 1.00 32.22 H new ATOM 0 HA SER A 58 -3.434 10.187 3.217 1.00 52.54 H new ATOM 0 HB2 SER A 58 -3.315 8.029 4.093 1.00 74.30 H new ATOM 0 HB3 SER A 58 -1.745 8.665 4.543 1.00 74.30 H new ATOM 0 HG SER A 58 -2.815 7.629 6.321 1.00 0.33 H new ATOM 877 N MET A 59 -4.456 11.233 6.121 1.00 51.12 N ATOM 878 CA MET A 59 -5.628 11.642 6.887 1.00 44.22 C ATOM 879 C MET A 59 -5.324 12.880 7.725 1.00 20.00 C ATOM 880 O MET A 59 -5.205 12.799 8.947 1.00 0.32 O ATOM 881 CB MET A 59 -6.096 10.501 7.792 1.00 4.11 C ATOM 882 CG MET A 59 -7.033 9.523 7.102 1.00 2.31 C ATOM 883 SD MET A 59 -8.173 8.727 8.249 1.00 12.04 S ATOM 884 CE MET A 59 -7.376 7.139 8.472 1.00 70.45 C ATOM 0 H MET A 59 -3.566 11.526 6.523 1.00 51.12 H new ATOM 0 HA MET A 59 -6.424 11.887 6.184 1.00 44.22 H new ATOM 0 HB2 MET A 59 -5.225 9.959 8.159 1.00 4.11 H new ATOM 0 HB3 MET A 59 -6.600 10.922 8.662 1.00 4.11 H new ATOM 0 HG2 MET A 59 -7.603 10.050 6.337 1.00 2.31 H new ATOM 0 HG3 MET A 59 -6.445 8.760 6.592 1.00 2.31 H new ATOM 0 HE1 MET A 59 -7.964 6.530 9.159 1.00 70.45 H new ATOM 0 HE2 MET A 59 -7.301 6.632 7.510 1.00 70.45 H new ATOM 0 HE3 MET A 59 -6.378 7.288 8.883 1.00 70.45 H new ATOM 894 N ALA A 60 -5.200 14.024 7.060 1.00 64.32 N ATOM 895 CA ALA A 60 -4.912 15.278 7.744 1.00 5.12 C ATOM 896 C ALA A 60 -5.666 16.438 7.104 1.00 12.43 C ATOM 897 O ALA A 60 -5.073 17.283 6.435 1.00 45.31 O ATOM 898 CB ALA A 60 -3.415 15.551 7.737 1.00 2.52 C ATOM 0 H ALA A 60 -5.295 14.108 6.048 1.00 64.32 H new ATOM 0 HA ALA A 60 -5.249 15.186 8.777 1.00 5.12 H new ATOM 0 HB1 ALA A 60 -3.214 16.491 8.251 1.00 2.52 H new ATOM 0 HB2 ALA A 60 -2.895 14.740 8.247 1.00 2.52 H new ATOM 0 HB3 ALA A 60 -3.062 15.618 6.708 1.00 2.52 H new ATOM 904 N ALA A 61 -6.978 16.473 7.314 1.00 30.52 N ATOM 905 CA ALA A 61 -7.813 17.530 6.759 1.00 53.13 C ATOM 906 C ALA A 61 -9.117 17.666 7.537 1.00 33.14 C ATOM 907 O ALA A 61 -9.710 16.671 7.955 1.00 31.44 O ATOM 908 CB ALA A 61 -8.100 17.260 5.289 1.00 24.41 C ATOM 0 H ALA A 61 -7.485 15.781 7.865 1.00 30.52 H new ATOM 0 HA ALA A 61 -7.269 18.471 6.845 1.00 53.13 H new ATOM 0 HB1 ALA A 61 -8.725 18.058 4.888 1.00 24.41 H new ATOM 0 HB2 ALA A 61 -7.161 17.221 4.736 1.00 24.41 H new ATOM 0 HB3 ALA A 61 -8.620 16.307 5.189 1.00 24.41 H new ATOM 914 N THR A 62 -9.560 18.905 7.730 1.00 21.44 N ATOM 915 CA THR A 62 -10.793 19.171 8.461 1.00 63.33 C ATOM 916 C THR A 62 -11.757 20.006 7.626 1.00 70.41 C ATOM 917 O THR A 62 -11.339 20.785 6.769 1.00 60.13 O ATOM 918 CB THR A 62 -10.513 19.903 9.787 1.00 74.32 C ATOM 919 OG1 THR A 62 -9.230 20.537 9.736 1.00 74.34 O ATOM 920 CG2 THR A 62 -10.560 18.935 10.959 1.00 21.25 C ATOM 0 H THR A 62 -9.083 19.740 7.390 1.00 21.44 H new ATOM 0 HA THR A 62 -11.247 18.204 8.678 1.00 63.33 H new ATOM 0 HB THR A 62 -11.285 20.659 9.929 1.00 74.32 H new ATOM 0 HG1 THR A 62 -9.061 21.001 10.582 1.00 74.34 H new ATOM 0 HG21 THR A 62 -10.359 19.474 11.885 1.00 21.25 H new ATOM 0 HG22 THR A 62 -11.547 18.477 11.013 1.00 21.25 H new ATOM 0 HG23 THR A 62 -9.807 18.159 10.821 1.00 21.25 H new ATOM 928 N THR A 63 -13.051 19.839 7.881 1.00 30.14 N ATOM 929 CA THR A 63 -14.075 20.577 7.153 1.00 32.11 C ATOM 930 C THR A 63 -14.270 21.971 7.739 1.00 30.41 C ATOM 931 O THR A 63 -13.789 22.269 8.832 1.00 25.13 O ATOM 932 CB THR A 63 -15.423 19.832 7.170 1.00 14.11 C ATOM 933 OG1 THR A 63 -16.372 20.518 6.346 1.00 73.14 O ATOM 934 CG2 THR A 63 -15.963 19.721 8.588 1.00 4.52 C ATOM 0 H THR A 63 -13.414 19.199 8.587 1.00 30.14 H new ATOM 0 HA THR A 63 -13.729 20.664 6.123 1.00 32.11 H new ATOM 0 HB THR A 63 -15.262 18.827 6.780 1.00 14.11 H new ATOM 0 HG1 THR A 63 -16.889 19.865 5.829 1.00 73.14 H new ATOM 0 HG21 THR A 63 -16.915 19.191 8.574 1.00 4.52 H new ATOM 0 HG22 THR A 63 -15.252 19.173 9.206 1.00 4.52 H new ATOM 0 HG23 THR A 63 -16.109 20.719 9.001 1.00 4.52 H new ATOM 942 N LYS A 64 -14.980 22.822 7.006 1.00 64.31 N ATOM 943 CA LYS A 64 -15.241 24.185 7.453 1.00 23.43 C ATOM 944 C LYS A 64 -16.069 24.188 8.734 1.00 32.40 C ATOM 945 O LYS A 64 -15.977 25.112 9.542 1.00 53.12 O ATOM 946 CB LYS A 64 -15.968 24.971 6.361 1.00 53.42 C ATOM 947 CG LYS A 64 -15.281 24.910 5.007 1.00 15.45 C ATOM 948 CD LYS A 64 -13.925 25.595 5.039 1.00 32.32 C ATOM 949 CE LYS A 64 -12.875 24.786 4.293 1.00 31.43 C ATOM 950 NZ LYS A 64 -13.057 24.868 2.818 1.00 61.55 N ATOM 0 H LYS A 64 -15.385 22.591 6.099 1.00 64.31 H new ATOM 0 HA LYS A 64 -14.283 24.663 7.659 1.00 23.43 H new ATOM 0 HB2 LYS A 64 -16.983 24.585 6.262 1.00 53.42 H new ATOM 0 HB3 LYS A 64 -16.052 26.013 6.670 1.00 53.42 H new ATOM 0 HG2 LYS A 64 -15.157 23.869 4.707 1.00 15.45 H new ATOM 0 HG3 LYS A 64 -15.912 25.385 4.256 1.00 15.45 H new ATOM 0 HD2 LYS A 64 -14.006 26.587 4.594 1.00 32.32 H new ATOM 0 HD3 LYS A 64 -13.611 25.735 6.073 1.00 32.32 H new ATOM 0 HE2 LYS A 64 -11.882 25.149 4.557 1.00 31.43 H new ATOM 0 HE3 LYS A 64 -12.928 23.744 4.608 1.00 31.43 H new ATOM 0 HZ1 LYS A 64 -12.322 24.304 2.346 1.00 61.55 H new ATOM 0 HZ2 LYS A 64 -13.995 24.498 2.563 1.00 61.55 H new ATOM 0 HZ3 LYS A 64 -12.981 25.860 2.513 1.00 61.55 H new ATOM 964 N ASP A 65 -16.876 23.148 8.913 1.00 32.35 N ATOM 965 CA ASP A 65 -17.719 23.029 10.098 1.00 50.43 C ATOM 966 C ASP A 65 -16.965 22.347 11.235 1.00 14.11 C ATOM 967 O ASP A 65 -17.541 22.039 12.278 1.00 41.40 O ATOM 968 CB ASP A 65 -18.990 22.245 9.769 1.00 72.02 C ATOM 969 CG ASP A 65 -20.243 22.939 10.266 1.00 73.44 C ATOM 970 OD1 ASP A 65 -21.325 22.693 9.691 1.00 10.51 O ATOM 971 OD2 ASP A 65 -20.143 23.726 11.229 1.00 23.14 O ATOM 0 H ASP A 65 -16.965 22.375 8.253 1.00 32.35 H new ATOM 0 HA ASP A 65 -17.994 24.033 10.420 1.00 50.43 H new ATOM 0 HB2 ASP A 65 -19.059 22.106 8.690 1.00 72.02 H new ATOM 0 HB3 ASP A 65 -18.927 21.252 10.215 1.00 72.02 H new ATOM 976 N GLY A 66 -15.673 22.112 11.026 1.00 54.45 N ATOM 977 CA GLY A 66 -14.862 21.467 12.041 1.00 35.12 C ATOM 978 C GLY A 66 -14.208 20.195 11.539 1.00 41.31 C ATOM 979 O GLY A 66 -13.439 20.221 10.577 1.00 54.11 O ATOM 0 H GLY A 66 -15.174 22.357 10.171 1.00 54.45 H new ATOM 0 HA2 GLY A 66 -14.091 22.159 12.379 1.00 35.12 H new ATOM 0 HA3 GLY A 66 -15.484 21.235 12.906 1.00 35.12 H new ATOM 983 N THR A 67 -14.511 19.078 12.192 1.00 22.40 N ATOM 984 CA THR A 67 -13.945 17.791 11.808 1.00 25.22 C ATOM 985 C THR A 67 -14.452 17.353 10.439 1.00 43.42 C ATOM 986 O THR A 67 -15.656 17.221 10.225 1.00 0.02 O ATOM 987 CB THR A 67 -14.281 16.698 12.841 1.00 53.43 C ATOM 988 OG1 THR A 67 -15.193 17.212 13.818 1.00 51.31 O ATOM 989 CG2 THR A 67 -13.021 16.198 13.530 1.00 63.03 C ATOM 0 H THR A 67 -15.145 19.039 12.990 1.00 22.40 H new ATOM 0 HA THR A 67 -12.864 17.922 11.767 1.00 25.22 H new ATOM 0 HB THR A 67 -14.744 15.863 12.316 1.00 53.43 H new ATOM 0 HG1 THR A 67 -14.716 17.816 14.425 1.00 51.31 H new ATOM 0 HG21 THR A 67 -13.284 15.427 14.255 1.00 63.03 H new ATOM 0 HG22 THR A 67 -12.341 15.781 12.787 1.00 63.03 H new ATOM 0 HG23 THR A 67 -12.533 17.027 14.043 1.00 63.03 H new ATOM 997 N GLY A 68 -13.524 17.129 9.513 1.00 40.31 N ATOM 998 CA GLY A 68 -13.897 16.708 8.175 1.00 14.33 C ATOM 999 C GLY A 68 -12.943 15.679 7.604 1.00 61.32 C ATOM 1000 O GLY A 68 -12.671 15.674 6.403 1.00 50.11 O ATOM 0 H GLY A 68 -12.521 17.232 9.666 1.00 40.31 H new ATOM 0 HA2 GLY A 68 -14.905 16.293 8.196 1.00 14.33 H new ATOM 0 HA3 GLY A 68 -13.924 17.578 7.518 1.00 14.33 H new ATOM 1004 N ILE A 69 -12.432 14.806 8.465 1.00 21.33 N ATOM 1005 CA ILE A 69 -11.502 13.768 8.039 1.00 62.51 C ATOM 1006 C ILE A 69 -12.242 12.589 7.415 1.00 3.00 C ATOM 1007 O ILE A 69 -13.264 12.141 7.933 1.00 64.44 O ATOM 1008 CB ILE A 69 -10.648 13.259 9.215 1.00 32.44 C ATOM 1009 CG1 ILE A 69 -11.547 12.798 10.364 1.00 33.25 C ATOM 1010 CG2 ILE A 69 -9.693 14.345 9.686 1.00 52.40 C ATOM 1011 CD1 ILE A 69 -11.318 11.359 10.771 1.00 12.04 C ATOM 0 H ILE A 69 -12.646 14.797 9.462 1.00 21.33 H new ATOM 0 HA ILE A 69 -10.847 14.219 7.294 1.00 62.51 H new ATOM 0 HB ILE A 69 -10.059 12.407 8.875 1.00 32.44 H new ATOM 0 HG12 ILE A 69 -11.379 13.442 11.227 1.00 33.25 H new ATOM 0 HG13 ILE A 69 -12.590 12.923 10.071 1.00 33.25 H new ATOM 0 HG21 ILE A 69 -9.097 13.969 10.518 1.00 52.40 H new ATOM 0 HG22 ILE A 69 -9.034 14.630 8.866 1.00 52.40 H new ATOM 0 HG23 ILE A 69 -10.263 15.215 10.012 1.00 52.40 H new ATOM 0 HD11 ILE A 69 -11.989 11.101 11.590 1.00 12.04 H new ATOM 0 HD12 ILE A 69 -11.514 10.705 9.921 1.00 12.04 H new ATOM 0 HD13 ILE A 69 -10.285 11.233 11.095 1.00 12.04 H new ATOM 1023 N ASN A 70 -11.717 12.091 6.300 1.00 23.13 N ATOM 1024 CA ASN A 70 -12.327 10.963 5.606 1.00 63.22 C ATOM 1025 C ASN A 70 -11.500 9.695 5.797 1.00 61.13 C ATOM 1026 O ASN A 70 -10.305 9.741 6.091 1.00 52.53 O ATOM 1027 CB ASN A 70 -12.470 11.272 4.114 1.00 3.22 C ATOM 1028 CG ASN A 70 -12.538 12.762 3.837 1.00 63.54 C ATOM 1029 OD1 ASN A 70 -11.534 13.468 3.929 1.00 23.11 O ATOM 1030 ND2 ASN A 70 -13.726 13.246 3.494 1.00 21.34 N ATOM 0 H ASN A 70 -10.871 12.451 5.858 1.00 23.13 H new ATOM 0 HA ASN A 70 -13.316 10.798 6.033 1.00 63.22 H new ATOM 0 HB2 ASN A 70 -11.626 10.843 3.574 1.00 3.22 H new ATOM 0 HB3 ASN A 70 -13.371 10.792 3.731 1.00 3.22 H new ATOM 0 HD21 ASN A 70 -13.833 14.240 3.294 1.00 21.34 H new ATOM 0 HD22 ASN A 70 -14.531 12.623 3.430 1.00 21.34 H new ATOM 1037 N PRO A 71 -12.149 8.534 5.625 1.00 31.22 N ATOM 1038 CA PRO A 71 -11.493 7.231 5.772 1.00 13.03 C ATOM 1039 C PRO A 71 -10.498 6.953 4.651 1.00 72.01 C ATOM 1040 O PRO A 71 -9.360 6.557 4.902 1.00 14.21 O ATOM 1041 CB PRO A 71 -12.658 6.239 5.712 1.00 4.12 C ATOM 1042 CG PRO A 71 -13.717 6.945 4.938 1.00 62.31 C ATOM 1043 CD PRO A 71 -13.573 8.403 5.274 1.00 51.31 C ATOM 0 HA PRO A 71 -10.910 7.170 6.691 1.00 13.03 H new ATOM 0 HB2 PRO A 71 -12.363 5.311 5.223 1.00 4.12 H new ATOM 0 HB3 PRO A 71 -13.006 5.976 6.711 1.00 4.12 H new ATOM 0 HG2 PRO A 71 -13.596 6.777 3.868 1.00 62.31 H new ATOM 0 HG3 PRO A 71 -14.707 6.578 5.208 1.00 62.31 H new ATOM 0 HD2 PRO A 71 -13.838 9.038 4.429 1.00 51.31 H new ATOM 0 HD3 PRO A 71 -14.219 8.690 6.104 1.00 51.31 H new ATOM 1051 N ALA A 72 -10.934 7.163 3.413 1.00 15.23 N ATOM 1052 CA ALA A 72 -10.081 6.937 2.254 1.00 43.43 C ATOM 1053 C ALA A 72 -9.529 8.253 1.714 1.00 24.51 C ATOM 1054 O ALA A 72 -8.457 8.284 1.109 1.00 14.00 O ATOM 1055 CB ALA A 72 -10.850 6.200 1.167 1.00 1.54 C ATOM 0 H ALA A 72 -11.874 7.490 3.188 1.00 15.23 H new ATOM 0 HA ALA A 72 -9.239 6.321 2.569 1.00 43.43 H new ATOM 0 HB1 ALA A 72 -10.200 6.038 0.307 1.00 1.54 H new ATOM 0 HB2 ALA A 72 -11.190 5.238 1.551 1.00 1.54 H new ATOM 0 HB3 ALA A 72 -11.711 6.795 0.864 1.00 1.54 H new ATOM 1061 N GLN A 73 -10.267 9.335 1.937 1.00 71.20 N ATOM 1062 CA GLN A 73 -9.851 10.652 1.471 1.00 2.32 C ATOM 1063 C GLN A 73 -9.565 10.635 -0.027 1.00 24.22 C ATOM 1064 O GLN A 73 -8.718 11.383 -0.517 1.00 55.15 O ATOM 1065 CB GLN A 73 -8.609 11.117 2.234 1.00 12.41 C ATOM 1066 CG GLN A 73 -8.696 10.889 3.734 1.00 30.25 C ATOM 1067 CD GLN A 73 -8.406 12.144 4.534 1.00 72.12 C ATOM 1068 OE1 GLN A 73 -9.118 12.466 5.486 1.00 24.50 O ATOM 1069 NE2 GLN A 73 -7.357 12.861 4.150 1.00 4.21 N ATOM 0 H GLN A 73 -11.156 9.326 2.437 1.00 71.20 H new ATOM 0 HA GLN A 73 -10.667 11.350 1.658 1.00 2.32 H new ATOM 0 HB2 GLN A 73 -7.736 10.592 1.845 1.00 12.41 H new ATOM 0 HB3 GLN A 73 -8.453 12.179 2.045 1.00 12.41 H new ATOM 0 HG2 GLN A 73 -9.692 10.525 3.985 1.00 30.25 H new ATOM 0 HG3 GLN A 73 -7.990 10.109 4.020 1.00 30.25 H new ATOM 0 HE21 GLN A 73 -6.795 12.557 3.355 1.00 4.21 H new ATOM 0 HE22 GLN A 73 -7.113 13.716 4.650 1.00 4.21 H new ATOM 1078 N THR A 74 -10.275 9.775 -0.750 1.00 74.01 N ATOM 1079 CA THR A 74 -10.097 9.659 -2.192 1.00 21.41 C ATOM 1080 C THR A 74 -10.810 10.787 -2.927 1.00 53.41 C ATOM 1081 O THR A 74 -11.703 11.431 -2.378 1.00 15.52 O ATOM 1082 CB THR A 74 -10.621 8.308 -2.716 1.00 12.24 C ATOM 1083 OG1 THR A 74 -10.319 7.269 -1.778 1.00 70.44 O ATOM 1084 CG2 THR A 74 -10.005 7.975 -4.066 1.00 2.40 C ATOM 0 H THR A 74 -10.979 9.148 -0.360 1.00 74.01 H new ATOM 0 HA THR A 74 -9.026 9.724 -2.384 1.00 21.41 H new ATOM 0 HB THR A 74 -11.702 8.385 -2.837 1.00 12.24 H new ATOM 0 HG1 THR A 74 -10.657 6.414 -2.117 1.00 70.44 H new ATOM 0 HG21 THR A 74 -10.390 7.017 -4.415 1.00 2.40 H new ATOM 0 HG22 THR A 74 -10.262 8.753 -4.785 1.00 2.40 H new ATOM 0 HG23 THR A 74 -8.921 7.916 -3.967 1.00 2.40 H new ATOM 1092 N ALA A 75 -10.411 11.021 -4.173 1.00 4.52 N ATOM 1093 CA ALA A 75 -11.014 12.071 -4.984 1.00 52.22 C ATOM 1094 C ALA A 75 -12.497 11.800 -5.218 1.00 5.51 C ATOM 1095 O ALA A 75 -13.330 12.694 -5.078 1.00 54.12 O ATOM 1096 CB ALA A 75 -10.283 12.198 -6.312 1.00 61.24 C ATOM 0 H ALA A 75 -9.672 10.497 -4.643 1.00 4.52 H new ATOM 0 HA ALA A 75 -10.924 13.012 -4.441 1.00 52.22 H new ATOM 0 HB1 ALA A 75 -10.744 12.986 -6.907 1.00 61.24 H new ATOM 0 HB2 ALA A 75 -9.237 12.446 -6.130 1.00 61.24 H new ATOM 0 HB3 ALA A 75 -10.343 11.253 -6.852 1.00 61.24 H new ATOM 1102 N GLY A 76 -12.818 10.561 -5.576 1.00 20.24 N ATOM 1103 CA GLY A 76 -14.200 10.195 -5.824 1.00 13.21 C ATOM 1104 C GLY A 76 -15.048 10.247 -4.568 1.00 72.15 C ATOM 1105 O GLY A 76 -16.215 10.633 -4.615 1.00 51.33 O ATOM 0 H GLY A 76 -12.146 9.804 -5.699 1.00 20.24 H new ATOM 0 HA2 GLY A 76 -14.622 10.867 -6.572 1.00 13.21 H new ATOM 0 HA3 GLY A 76 -14.237 9.189 -6.242 1.00 13.21 H new ATOM 1109 N ASN A 77 -14.460 9.855 -3.443 1.00 35.32 N ATOM 1110 CA ASN A 77 -15.171 9.856 -2.169 1.00 62.11 C ATOM 1111 C ASN A 77 -15.401 11.281 -1.676 1.00 3.22 C ATOM 1112 O ASN A 77 -16.539 11.704 -1.474 1.00 73.03 O ATOM 1113 CB ASN A 77 -14.386 9.063 -1.123 1.00 24.53 C ATOM 1114 CG ASN A 77 -14.992 7.698 -0.856 1.00 52.44 C ATOM 1115 OD1 ASN A 77 -14.459 6.675 -1.285 1.00 42.14 O ATOM 1116 ND2 ASN A 77 -16.114 7.678 -0.145 1.00 44.33 N ATOM 0 H ASN A 77 -13.494 9.533 -3.387 1.00 35.32 H new ATOM 0 HA ASN A 77 -16.141 9.382 -2.322 1.00 62.11 H new ATOM 0 HB2 ASN A 77 -13.357 8.941 -1.461 1.00 24.53 H new ATOM 0 HB3 ASN A 77 -14.351 9.630 -0.193 1.00 24.53 H new ATOM 0 HD21 ASN A 77 -16.569 6.790 0.065 1.00 44.33 H new ATOM 0 HD22 ASN A 77 -16.521 8.551 0.191 1.00 44.33 H new ATOM 1123 N VAL A 78 -14.311 12.018 -1.484 1.00 12.14 N ATOM 1124 CA VAL A 78 -14.393 13.397 -1.016 1.00 33.42 C ATOM 1125 C VAL A 78 -15.257 14.242 -1.945 1.00 33.31 C ATOM 1126 O VAL A 78 -15.929 15.176 -1.507 1.00 5.31 O ATOM 1127 CB VAL A 78 -12.997 14.037 -0.908 1.00 25.31 C ATOM 1128 CG1 VAL A 78 -12.087 13.189 -0.032 1.00 3.22 C ATOM 1129 CG2 VAL A 78 -12.391 14.230 -2.290 1.00 71.50 C ATOM 0 H VAL A 78 -13.361 11.683 -1.645 1.00 12.14 H new ATOM 0 HA VAL A 78 -14.849 13.369 -0.026 1.00 33.42 H new ATOM 0 HB VAL A 78 -13.101 15.017 -0.442 1.00 25.31 H new ATOM 0 HG11 VAL A 78 -11.105 13.657 0.033 1.00 3.22 H new ATOM 0 HG12 VAL A 78 -12.516 13.107 0.967 1.00 3.22 H new ATOM 0 HG13 VAL A 78 -11.987 12.194 -0.467 1.00 3.22 H new ATOM 0 HG21 VAL A 78 -11.404 14.683 -2.195 1.00 71.50 H new ATOM 0 HG22 VAL A 78 -12.300 13.263 -2.785 1.00 71.50 H new ATOM 0 HG23 VAL A 78 -13.034 14.882 -2.882 1.00 71.50 H new ATOM 1139 N PHE A 79 -15.236 13.907 -3.231 1.00 33.12 N ATOM 1140 CA PHE A 79 -16.018 14.635 -4.223 1.00 43.53 C ATOM 1141 C PHE A 79 -17.493 14.671 -3.835 1.00 60.52 C ATOM 1142 O PHE A 79 -18.122 15.728 -3.840 1.00 40.25 O ATOM 1143 CB PHE A 79 -15.857 13.992 -5.602 1.00 43.54 C ATOM 1144 CG PHE A 79 -16.807 14.535 -6.631 1.00 44.25 C ATOM 1145 CD1 PHE A 79 -16.477 15.657 -7.375 1.00 1.24 C ATOM 1146 CD2 PHE A 79 -18.030 13.924 -6.855 1.00 63.33 C ATOM 1147 CE1 PHE A 79 -17.349 16.159 -8.323 1.00 4.04 C ATOM 1148 CE2 PHE A 79 -18.905 14.421 -7.802 1.00 72.32 C ATOM 1149 CZ PHE A 79 -18.565 15.540 -8.536 1.00 2.41 C ATOM 0 H PHE A 79 -14.686 13.136 -3.610 1.00 33.12 H new ATOM 0 HA PHE A 79 -15.646 15.659 -4.261 1.00 43.53 H new ATOM 0 HB2 PHE A 79 -14.834 14.143 -5.947 1.00 43.54 H new ATOM 0 HB3 PHE A 79 -16.007 12.916 -5.512 1.00 43.54 H new ATOM 0 HD1 PHE A 79 -15.527 16.145 -7.212 1.00 1.24 H new ATOM 0 HD2 PHE A 79 -18.303 13.049 -6.283 1.00 63.33 H new ATOM 0 HE1 PHE A 79 -17.080 17.034 -8.896 1.00 4.04 H new ATOM 0 HE2 PHE A 79 -19.855 13.934 -7.968 1.00 72.32 H new ATOM 0 HZ PHE A 79 -19.249 15.930 -9.275 1.00 2.41 H new ATOM 1159 N MET A 80 -18.038 13.506 -3.500 1.00 32.14 N ATOM 1160 CA MET A 80 -19.439 13.403 -3.108 1.00 72.01 C ATOM 1161 C MET A 80 -19.604 13.636 -1.610 1.00 5.43 C ATOM 1162 O MET A 80 -20.704 13.909 -1.130 1.00 73.22 O ATOM 1163 CB MET A 80 -19.997 12.030 -3.486 1.00 70.54 C ATOM 1164 CG MET A 80 -21.508 12.011 -3.650 1.00 12.41 C ATOM 1165 SD MET A 80 -22.185 10.340 -3.665 1.00 12.34 S ATOM 1166 CE MET A 80 -23.924 10.682 -3.928 1.00 64.43 C ATOM 0 H MET A 80 -17.531 12.621 -3.492 1.00 32.14 H new ATOM 0 HA MET A 80 -19.996 14.173 -3.641 1.00 72.01 H new ATOM 0 HB2 MET A 80 -19.535 11.703 -4.417 1.00 70.54 H new ATOM 0 HB3 MET A 80 -19.714 11.309 -2.719 1.00 70.54 H new ATOM 0 HG2 MET A 80 -21.965 12.576 -2.838 1.00 12.41 H new ATOM 0 HG3 MET A 80 -21.775 12.515 -4.579 1.00 12.41 H new ATOM 0 HE1 MET A 80 -24.478 9.744 -3.961 1.00 64.43 H new ATOM 0 HE2 MET A 80 -24.301 11.298 -3.112 1.00 64.43 H new ATOM 0 HE3 MET A 80 -24.052 11.212 -4.872 1.00 64.43 H new ATOM 1176 N LYS A 81 -18.502 13.528 -0.874 1.00 73.42 N ATOM 1177 CA LYS A 81 -18.523 13.728 0.570 1.00 72.51 C ATOM 1178 C LYS A 81 -18.660 15.208 0.912 1.00 21.33 C ATOM 1179 O LYS A 81 -19.604 15.613 1.591 1.00 4.13 O ATOM 1180 CB LYS A 81 -17.249 13.162 1.202 1.00 14.43 C ATOM 1181 CG LYS A 81 -17.377 12.893 2.692 1.00 54.43 C ATOM 1182 CD LYS A 81 -18.292 11.712 2.968 1.00 14.34 C ATOM 1183 CE LYS A 81 -17.704 10.415 2.436 1.00 71.30 C ATOM 1184 NZ LYS A 81 -18.160 9.235 3.222 1.00 13.22 N ATOM 0 H LYS A 81 -17.583 13.303 -1.255 1.00 73.42 H new ATOM 0 HA LYS A 81 -19.387 13.199 0.973 1.00 72.51 H new ATOM 0 HB2 LYS A 81 -16.983 12.234 0.695 1.00 14.43 H new ATOM 0 HB3 LYS A 81 -16.430 13.862 1.037 1.00 14.43 H new ATOM 0 HG2 LYS A 81 -16.391 12.697 3.113 1.00 54.43 H new ATOM 0 HG3 LYS A 81 -17.766 13.781 3.191 1.00 54.43 H new ATOM 0 HD2 LYS A 81 -18.460 11.623 4.041 1.00 14.34 H new ATOM 0 HD3 LYS A 81 -19.264 11.888 2.507 1.00 14.34 H new ATOM 0 HE2 LYS A 81 -17.990 10.288 1.392 1.00 71.30 H new ATOM 0 HE3 LYS A 81 -16.616 10.471 2.464 1.00 71.30 H new ATOM 0 HZ1 LYS A 81 -17.737 8.371 2.828 1.00 13.22 H new ATOM 0 HZ2 LYS A 81 -17.865 9.343 4.213 1.00 13.22 H new ATOM 0 HZ3 LYS A 81 -19.197 9.166 3.175 1.00 13.22 H new ATOM 1198 N TYR A 82 -17.714 16.010 0.437 1.00 24.34 N ATOM 1199 CA TYR A 82 -17.728 17.445 0.694 1.00 33.12 C ATOM 1200 C TYR A 82 -17.736 18.232 -0.613 1.00 4.25 C ATOM 1201 O TYR A 82 -18.238 19.354 -0.672 1.00 64.21 O ATOM 1202 CB TYR A 82 -16.517 17.846 1.537 1.00 24.23 C ATOM 1203 CG TYR A 82 -16.533 17.268 2.935 1.00 53.34 C ATOM 1204 CD1 TYR A 82 -15.816 16.119 3.241 1.00 64.53 C ATOM 1205 CD2 TYR A 82 -17.267 17.872 3.948 1.00 33.53 C ATOM 1206 CE1 TYR A 82 -15.828 15.587 4.516 1.00 74.33 C ATOM 1207 CE2 TYR A 82 -17.285 17.348 5.226 1.00 23.34 C ATOM 1208 CZ TYR A 82 -16.564 16.205 5.505 1.00 0.21 C ATOM 1209 OH TYR A 82 -16.580 15.679 6.777 1.00 41.43 O ATOM 0 H TYR A 82 -16.927 15.691 -0.128 1.00 24.34 H new ATOM 0 HA TYR A 82 -18.639 17.681 1.245 1.00 33.12 H new ATOM 0 HB2 TYR A 82 -15.608 17.522 1.029 1.00 24.23 H new ATOM 0 HB3 TYR A 82 -16.475 18.933 1.603 1.00 24.23 H new ATOM 0 HD1 TYR A 82 -15.239 15.633 2.469 1.00 64.53 H new ATOM 0 HD2 TYR A 82 -17.833 18.766 3.733 1.00 33.53 H new ATOM 0 HE1 TYR A 82 -15.264 14.693 4.737 1.00 74.33 H new ATOM 0 HE2 TYR A 82 -17.860 17.830 6.003 1.00 23.34 H new ATOM 0 HH TYR A 82 -17.145 16.234 7.354 1.00 41.43 H new ATOM 1219 N GLY A 83 -17.175 17.634 -1.659 1.00 44.34 N ATOM 1220 CA GLY A 83 -17.127 18.292 -2.952 1.00 2.51 C ATOM 1221 C GLY A 83 -16.440 19.642 -2.890 1.00 40.32 C ATOM 1222 O GLY A 83 -17.093 20.682 -2.976 1.00 30.24 O ATOM 0 H GLY A 83 -16.753 16.706 -1.635 1.00 44.34 H new ATOM 0 HA2 GLY A 83 -16.602 17.653 -3.662 1.00 2.51 H new ATOM 0 HA3 GLY A 83 -18.142 18.421 -3.329 1.00 2.51 H new ATOM 1226 N GLN A 84 -15.120 19.626 -2.740 1.00 5.33 N ATOM 1227 CA GLN A 84 -14.345 20.859 -2.664 1.00 42.30 C ATOM 1228 C GLN A 84 -14.820 21.731 -1.506 1.00 20.50 C ATOM 1229 O GLN A 84 -15.313 22.839 -1.713 1.00 74.51 O ATOM 1230 CB GLN A 84 -14.451 21.635 -3.978 1.00 72.33 C ATOM 1231 CG GLN A 84 -14.261 20.768 -5.213 1.00 1.51 C ATOM 1232 CD GLN A 84 -14.239 21.577 -6.495 1.00 63.22 C ATOM 1233 OE1 GLN A 84 -14.370 22.801 -6.473 1.00 73.14 O ATOM 1234 NE2 GLN A 84 -14.071 20.895 -7.622 1.00 75.13 N ATOM 0 H GLN A 84 -14.565 18.773 -2.669 1.00 5.33 H new ATOM 0 HA GLN A 84 -13.303 20.592 -2.490 1.00 42.30 H new ATOM 0 HB2 GLN A 84 -15.428 22.116 -4.029 1.00 72.33 H new ATOM 0 HB3 GLN A 84 -13.704 22.429 -3.983 1.00 72.33 H new ATOM 0 HG2 GLN A 84 -13.328 20.212 -5.122 1.00 1.51 H new ATOM 0 HG3 GLN A 84 -15.065 20.034 -5.265 1.00 1.51 H new ATOM 0 HE21 GLN A 84 -13.966 19.881 -7.594 1.00 75.13 H new ATOM 0 HE22 GLN A 84 -14.047 21.385 -8.516 1.00 75.13 H new ATOM 1243 N GLU A 85 -14.668 21.221 -0.287 1.00 42.34 N ATOM 1244 CA GLU A 85 -15.083 21.954 0.903 1.00 20.21 C ATOM 1245 C GLU A 85 -14.269 21.521 2.119 1.00 34.05 C ATOM 1246 O GLU A 85 -14.694 21.705 3.261 1.00 41.44 O ATOM 1247 CB GLU A 85 -16.574 21.736 1.169 1.00 21.41 C ATOM 1248 CG GLU A 85 -17.282 22.966 1.711 1.00 22.14 C ATOM 1249 CD GLU A 85 -18.568 23.273 0.970 1.00 52.04 C ATOM 1250 OE1 GLU A 85 -18.588 24.257 0.200 1.00 32.42 O ATOM 1251 OE2 GLU A 85 -19.554 22.531 1.158 1.00 34.24 O ATOM 0 H GLU A 85 -14.261 20.305 -0.098 1.00 42.34 H new ATOM 0 HA GLU A 85 -14.904 23.015 0.727 1.00 20.21 H new ATOM 0 HB2 GLU A 85 -17.058 21.427 0.243 1.00 21.41 H new ATOM 0 HB3 GLU A 85 -16.692 20.917 1.879 1.00 21.41 H new ATOM 0 HG2 GLU A 85 -17.503 22.817 2.768 1.00 22.14 H new ATOM 0 HG3 GLU A 85 -16.614 23.825 1.643 1.00 22.14 H new ATOM 1258 N ILE A 86 -13.099 20.944 1.867 1.00 54.45 N ATOM 1259 CA ILE A 86 -12.226 20.486 2.940 1.00 74.10 C ATOM 1260 C ILE A 86 -10.870 21.180 2.880 1.00 62.34 C ATOM 1261 O ILE A 86 -10.336 21.428 1.798 1.00 1.24 O ATOM 1262 CB ILE A 86 -12.014 18.962 2.880 1.00 21.35 C ATOM 1263 CG1 ILE A 86 -13.346 18.232 3.065 1.00 23.54 C ATOM 1264 CG2 ILE A 86 -11.013 18.525 3.939 1.00 25.23 C ATOM 1265 CD1 ILE A 86 -13.963 18.438 4.431 1.00 55.03 C ATOM 0 H ILE A 86 -12.734 20.783 0.928 1.00 54.45 H new ATOM 0 HA ILE A 86 -12.719 20.740 3.878 1.00 74.10 H new ATOM 0 HB ILE A 86 -11.613 18.704 1.900 1.00 21.35 H new ATOM 0 HG12 ILE A 86 -14.047 18.573 2.303 1.00 23.54 H new ATOM 0 HG13 ILE A 86 -13.192 17.165 2.902 1.00 23.54 H new ATOM 0 HG21 ILE A 86 -10.873 17.445 3.884 1.00 25.23 H new ATOM 0 HG22 ILE A 86 -10.059 19.023 3.766 1.00 25.23 H new ATOM 0 HG23 ILE A 86 -11.388 18.793 4.927 1.00 25.23 H new ATOM 0 HD11 ILE A 86 -14.904 17.892 4.491 1.00 55.03 H new ATOM 0 HD12 ILE A 86 -13.281 18.070 5.198 1.00 55.03 H new ATOM 0 HD13 ILE A 86 -14.149 19.500 4.590 1.00 55.03 H new ATOM 1277 N ARG A 87 -10.317 21.488 4.048 1.00 43.51 N ATOM 1278 CA ARG A 87 -9.022 22.153 4.128 1.00 4.12 C ATOM 1279 C ARG A 87 -7.950 21.196 4.643 1.00 53.12 C ATOM 1280 O ARG A 87 -8.228 20.319 5.462 1.00 3.44 O ATOM 1281 CB ARG A 87 -9.108 23.377 5.042 1.00 55.23 C ATOM 1282 CG ARG A 87 -9.257 23.029 6.514 1.00 51.32 C ATOM 1283 CD ARG A 87 -8.045 23.476 7.317 1.00 75.02 C ATOM 1284 NE ARG A 87 -8.385 23.758 8.709 1.00 31.40 N ATOM 1285 CZ ARG A 87 -8.935 24.897 9.115 1.00 23.44 C ATOM 1286 NH1 ARG A 87 -9.206 25.855 8.240 1.00 3.14 N ATOM 1287 NH2 ARG A 87 -9.215 25.078 10.400 1.00 42.44 N ATOM 0 H ARG A 87 -10.745 21.288 4.952 1.00 43.51 H new ATOM 0 HA ARG A 87 -8.746 22.476 3.124 1.00 4.12 H new ATOM 0 HB2 ARG A 87 -8.211 23.982 4.910 1.00 55.23 H new ATOM 0 HB3 ARG A 87 -9.955 23.990 4.735 1.00 55.23 H new ATOM 0 HG2 ARG A 87 -10.154 23.503 6.912 1.00 51.32 H new ATOM 0 HG3 ARG A 87 -9.390 21.953 6.623 1.00 51.32 H new ATOM 0 HD2 ARG A 87 -7.280 22.701 7.281 1.00 75.02 H new ATOM 0 HD3 ARG A 87 -7.617 24.368 6.860 1.00 75.02 H new ATOM 0 HE ARG A 87 -8.189 23.041 9.408 1.00 31.40 H new ATOM 0 HH11 ARG A 87 -8.992 25.719 7.252 1.00 3.14 H new ATOM 0 HH12 ARG A 87 -9.628 26.729 8.555 1.00 3.14 H new ATOM 0 HH21 ARG A 87 -9.008 24.342 11.076 1.00 42.44 H new ATOM 0 HH22 ARG A 87 -9.637 25.953 10.712 1.00 42.44 H new ATOM 1301 N LEU A 88 -6.726 21.370 4.156 1.00 34.35 N ATOM 1302 CA LEU A 88 -5.613 20.521 4.567 1.00 43.45 C ATOM 1303 C LEU A 88 -4.918 21.093 5.799 1.00 71.54 C ATOM 1304 O LEU A 88 -4.551 22.268 5.827 1.00 33.35 O ATOM 1305 CB LEU A 88 -4.608 20.376 3.422 1.00 12.21 C ATOM 1306 CG LEU A 88 -3.923 19.015 3.299 1.00 74.42 C ATOM 1307 CD1 LEU A 88 -4.954 17.916 3.088 1.00 3.00 C ATOM 1308 CD2 LEU A 88 -2.913 19.027 2.161 1.00 75.35 C ATOM 0 H LEU A 88 -6.479 22.090 3.477 1.00 34.35 H new ATOM 0 HA LEU A 88 -6.011 19.538 4.821 1.00 43.45 H new ATOM 0 HB2 LEU A 88 -5.123 20.587 2.485 1.00 12.21 H new ATOM 0 HB3 LEU A 88 -3.838 21.138 3.542 1.00 12.21 H new ATOM 0 HG LEU A 88 -3.391 18.812 4.228 1.00 74.42 H new ATOM 0 HD11 LEU A 88 -4.448 16.954 3.003 1.00 3.00 H new ATOM 0 HD12 LEU A 88 -5.639 17.892 3.936 1.00 3.00 H new ATOM 0 HD13 LEU A 88 -5.515 18.114 2.174 1.00 3.00 H new ATOM 0 HD21 LEU A 88 -2.435 18.050 2.088 1.00 75.35 H new ATOM 0 HD22 LEU A 88 -3.423 19.252 1.224 1.00 75.35 H new ATOM 0 HD23 LEU A 88 -2.156 19.787 2.354 1.00 75.35 H new ATOM 1320 N ILE A 89 -4.739 20.253 6.813 1.00 50.02 N ATOM 1321 CA ILE A 89 -4.085 20.674 8.046 1.00 73.22 C ATOM 1322 C ILE A 89 -3.162 19.583 8.579 1.00 54.05 C ATOM 1323 O ILE A 89 -3.534 18.413 8.675 1.00 11.34 O ATOM 1324 CB ILE A 89 -5.114 21.036 9.133 1.00 0.50 C ATOM 1325 CG1 ILE A 89 -4.405 21.582 10.375 1.00 75.23 C ATOM 1326 CG2 ILE A 89 -5.959 19.822 9.489 1.00 42.31 C ATOM 1327 CD1 ILE A 89 -5.348 21.922 11.508 1.00 71.12 C ATOM 0 H ILE A 89 -5.037 19.278 6.805 1.00 50.02 H new ATOM 0 HA ILE A 89 -3.496 21.559 7.805 1.00 73.22 H new ATOM 0 HB ILE A 89 -5.774 21.811 8.744 1.00 0.50 H new ATOM 0 HG12 ILE A 89 -3.681 20.845 10.724 1.00 75.23 H new ATOM 0 HG13 ILE A 89 -3.843 22.475 10.100 1.00 75.23 H new ATOM 0 HG21 ILE A 89 -6.681 20.094 10.259 1.00 42.31 H new ATOM 0 HG22 ILE A 89 -6.488 19.474 8.602 1.00 42.31 H new ATOM 0 HG23 ILE A 89 -5.314 19.027 9.862 1.00 42.31 H new ATOM 0 HD11 ILE A 89 -4.777 22.303 12.355 1.00 71.12 H new ATOM 0 HD12 ILE A 89 -6.056 22.682 11.177 1.00 71.12 H new ATOM 0 HD13 ILE A 89 -5.891 21.027 11.810 1.00 71.12 H new ATOM 1339 N PRO A 90 -1.929 19.973 8.935 1.00 74.03 N ATOM 1340 CA PRO A 90 -0.928 19.044 9.466 1.00 30.15 C ATOM 1341 C PRO A 90 -1.281 18.549 10.865 1.00 75.43 C ATOM 1342 O PRO A 90 -0.732 19.023 11.859 1.00 41.11 O ATOM 1343 CB PRO A 90 0.351 19.884 9.504 1.00 12.23 C ATOM 1344 CG PRO A 90 -0.124 21.292 9.610 1.00 52.32 C ATOM 1345 CD PRO A 90 -1.418 21.351 8.846 1.00 12.13 C ATOM 0 HA PRO A 90 -0.845 18.143 8.858 1.00 30.15 H new ATOM 0 HB2 PRO A 90 0.978 19.613 10.353 1.00 12.23 H new ATOM 0 HB3 PRO A 90 0.950 19.735 8.605 1.00 12.23 H new ATOM 0 HG2 PRO A 90 -0.273 21.576 10.652 1.00 52.32 H new ATOM 0 HG3 PRO A 90 0.608 21.983 9.192 1.00 52.32 H new ATOM 0 HD2 PRO A 90 -2.112 22.066 9.286 1.00 12.13 H new ATOM 0 HD3 PRO A 90 -1.260 21.655 7.811 1.00 12.13 H new ATOM 1353 N ARG A 91 -2.201 17.592 10.934 1.00 74.14 N ATOM 1354 CA ARG A 91 -2.628 17.033 12.211 1.00 53.04 C ATOM 1355 C ARG A 91 -2.087 15.618 12.393 1.00 1.11 C ATOM 1356 O ARG A 91 -1.705 14.959 11.426 1.00 54.23 O ATOM 1357 CB ARG A 91 -4.155 17.022 12.302 1.00 73.02 C ATOM 1358 CG ARG A 91 -4.688 17.459 13.657 1.00 62.32 C ATOM 1359 CD ARG A 91 -6.013 16.785 13.978 1.00 41.41 C ATOM 1360 NE ARG A 91 -7.013 17.741 14.448 1.00 65.20 N ATOM 1361 CZ ARG A 91 -6.947 18.353 15.625 1.00 53.52 C ATOM 1362 NH1 ARG A 91 -5.935 18.112 16.446 1.00 11.04 N ATOM 1363 NH2 ARG A 91 -7.896 19.210 15.982 1.00 43.14 N ATOM 0 H ARG A 91 -2.665 17.188 10.120 1.00 74.14 H new ATOM 0 HA ARG A 91 -2.228 17.662 13.006 1.00 53.04 H new ATOM 0 HB2 ARG A 91 -4.561 17.679 11.532 1.00 73.02 H new ATOM 0 HB3 ARG A 91 -4.516 16.016 12.086 1.00 73.02 H new ATOM 0 HG2 ARG A 91 -3.959 17.218 14.431 1.00 62.32 H new ATOM 0 HG3 ARG A 91 -4.817 18.541 13.667 1.00 62.32 H new ATOM 0 HD2 ARG A 91 -6.386 16.277 13.089 1.00 41.41 H new ATOM 0 HD3 ARG A 91 -5.856 16.021 14.739 1.00 41.41 H new ATOM 0 HE ARG A 91 -7.804 17.950 13.839 1.00 65.20 H new ATOM 0 HH11 ARG A 91 -5.204 17.455 16.175 1.00 11.04 H new ATOM 0 HH12 ARG A 91 -5.887 18.584 17.349 1.00 11.04 H new ATOM 0 HH21 ARG A 91 -8.676 19.399 15.352 1.00 43.14 H new ATOM 0 HH22 ARG A 91 -7.845 19.680 16.886 1.00 43.14 H new ATOM 1377 N ASP A 92 -2.056 15.158 13.639 1.00 52.20 N ATOM 1378 CA ASP A 92 -1.562 13.822 13.949 1.00 72.54 C ATOM 1379 C ASP A 92 -0.086 13.691 13.587 1.00 60.50 C ATOM 1380 O ASP A 92 0.361 12.636 13.135 1.00 3.31 O ATOM 1381 CB ASP A 92 -2.379 12.767 13.201 1.00 61.25 C ATOM 1382 CG ASP A 92 -3.873 12.967 13.365 1.00 44.54 C ATOM 1383 OD1 ASP A 92 -4.409 12.592 14.429 1.00 43.35 O ATOM 1384 OD2 ASP A 92 -4.505 13.500 12.429 1.00 14.55 O ATOM 0 H ASP A 92 -2.367 15.691 14.451 1.00 52.20 H new ATOM 0 HA ASP A 92 -1.670 13.661 15.022 1.00 72.54 H new ATOM 0 HB2 ASP A 92 -2.125 12.799 12.141 1.00 61.25 H new ATOM 0 HB3 ASP A 92 -2.106 11.776 13.564 1.00 61.25 H new ATOM 1389 N ARG A 93 0.665 14.768 13.788 1.00 41.31 N ATOM 1390 CA ARG A 93 2.090 14.774 13.481 1.00 43.42 C ATOM 1391 C ARG A 93 2.839 15.739 14.395 1.00 4.24 C ATOM 1392 O ARG A 93 3.742 15.340 15.131 1.00 21.50 O ATOM 1393 CB ARG A 93 2.317 15.162 12.018 1.00 31.43 C ATOM 1394 CG ARG A 93 3.711 14.833 11.510 1.00 3.23 C ATOM 1395 CD ARG A 93 4.057 15.642 10.270 1.00 3.21 C ATOM 1396 NE ARG A 93 5.418 16.171 10.323 1.00 33.33 N ATOM 1397 CZ ARG A 93 6.505 15.415 10.216 1.00 34.55 C ATOM 1398 NH1 ARG A 93 6.391 14.104 10.051 1.00 32.01 N ATOM 1399 NH2 ARG A 93 7.709 15.969 10.274 1.00 14.35 N ATOM 0 H ARG A 93 0.310 15.648 14.162 1.00 41.31 H new ATOM 0 HA ARG A 93 2.476 13.768 13.648 1.00 43.42 H new ATOM 0 HB2 ARG A 93 1.583 14.649 11.397 1.00 31.43 H new ATOM 0 HB3 ARG A 93 2.141 16.231 11.903 1.00 31.43 H new ATOM 0 HG2 ARG A 93 4.442 15.035 12.293 1.00 3.23 H new ATOM 0 HG3 ARG A 93 3.774 13.769 11.281 1.00 3.23 H new ATOM 0 HD2 ARG A 93 3.946 15.015 9.385 1.00 3.21 H new ATOM 0 HD3 ARG A 93 3.351 16.466 10.167 1.00 3.21 H new ATOM 0 HE ARG A 93 5.540 17.176 10.449 1.00 33.33 H new ATOM 0 HH11 ARG A 93 5.467 13.674 10.006 1.00 32.01 H new ATOM 0 HH12 ARG A 93 7.227 13.526 9.969 1.00 32.01 H new ATOM 0 HH21 ARG A 93 7.801 16.977 10.401 1.00 14.35 H new ATOM 0 HH22 ARG A 93 8.543 15.387 10.192 1.00 14.35 H new ATOM 1413 N VAL A 94 2.459 17.012 14.344 1.00 71.24 N ATOM 1414 CA VAL A 94 3.094 18.034 15.167 1.00 33.32 C ATOM 1415 C VAL A 94 2.793 17.813 16.645 1.00 23.15 C ATOM 1416 O VAL A 94 3.651 18.024 17.502 1.00 34.22 O ATOM 1417 CB VAL A 94 2.629 19.446 14.766 1.00 45.42 C ATOM 1418 CG1 VAL A 94 3.284 20.496 15.651 1.00 21.44 C ATOM 1419 CG2 VAL A 94 2.934 19.710 13.299 1.00 71.02 C ATOM 0 H VAL A 94 1.714 17.360 13.741 1.00 71.24 H new ATOM 0 HA VAL A 94 4.168 17.952 15.001 1.00 33.32 H new ATOM 0 HB VAL A 94 1.550 19.508 14.907 1.00 45.42 H new ATOM 0 HG11 VAL A 94 2.943 21.487 15.352 1.00 21.44 H new ATOM 0 HG12 VAL A 94 3.012 20.317 16.691 1.00 21.44 H new ATOM 0 HG13 VAL A 94 4.367 20.437 15.544 1.00 21.44 H new ATOM 0 HG21 VAL A 94 2.599 20.712 13.032 1.00 71.02 H new ATOM 0 HG22 VAL A 94 4.008 19.630 13.130 1.00 71.02 H new ATOM 0 HG23 VAL A 94 2.414 18.977 12.682 1.00 71.02 H new ATOM 1429 N GLY A 95 1.568 17.386 16.938 1.00 64.23 N ATOM 1430 CA GLY A 95 1.176 17.143 18.314 1.00 61.25 C ATOM 1431 C GLY A 95 0.482 15.807 18.491 1.00 15.21 C ATOM 1432 O GLY A 95 -0.140 15.556 19.523 1.00 20.34 O ATOM 0 H GLY A 95 0.840 17.204 16.247 1.00 64.23 H new ATOM 0 HA2 GLY A 95 2.059 17.178 18.952 1.00 61.25 H new ATOM 0 HA3 GLY A 95 0.512 17.941 18.646 1.00 61.25 H new