USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 950 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 Single : A 12 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 17 GLN : amide:sc= 0.286 K(o=0.29,f=-1.1) USER MOD Single : A 19 TYR OH : rot 64:sc= -2.48! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.0789 K(o=0.079,f=-0.85) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.783 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 16:sc= 0.506 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=-0.0014) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.92 K(o=-0.92,f=-3.1!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -143:sc= 0 (180deg=-1.34) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 11 3.224 7.953 -3.337 1.00 41.12 N ATOM 118 CA PHE A 11 2.618 7.151 -4.394 1.00 14.15 C ATOM 119 C PHE A 11 3.238 7.478 -5.748 1.00 51.54 C ATOM 120 O PHE A 11 2.611 8.120 -6.593 1.00 60.13 O ATOM 121 CB PHE A 11 1.107 7.390 -4.440 1.00 32.01 C ATOM 122 CG PHE A 11 0.405 7.044 -3.158 1.00 63.44 C ATOM 123 CD1 PHE A 11 0.048 5.733 -2.881 1.00 13.41 C ATOM 124 CD2 PHE A 11 0.104 8.027 -2.230 1.00 34.30 C ATOM 125 CE1 PHE A 11 -0.598 5.412 -1.702 1.00 53.43 C ATOM 126 CE2 PHE A 11 -0.543 7.712 -1.049 1.00 71.43 C ATOM 127 CZ PHE A 11 -0.894 6.402 -0.785 1.00 65.13 C ATOM 0 HA PHE A 11 2.807 6.100 -4.173 1.00 14.15 H new ATOM 0 HB2 PHE A 11 0.920 8.438 -4.676 1.00 32.01 H new ATOM 0 HB3 PHE A 11 0.679 6.800 -5.250 1.00 32.01 H new ATOM 0 HD1 PHE A 11 0.277 4.955 -3.594 1.00 13.41 H new ATOM 0 HD2 PHE A 11 0.378 9.052 -2.431 1.00 34.30 H new ATOM 0 HE1 PHE A 11 -0.871 4.387 -1.498 1.00 53.43 H new ATOM 0 HE2 PHE A 11 -0.773 8.488 -0.335 1.00 71.43 H new ATOM 0 HZ PHE A 11 -1.399 6.152 0.137 1.00 65.13 H new ATOM 137 N THR A 12 4.475 7.034 -5.950 1.00 12.14 N ATOM 138 CA THR A 12 5.181 7.280 -7.200 1.00 11.11 C ATOM 139 C THR A 12 5.754 5.989 -7.772 1.00 71.44 C ATOM 140 O THR A 12 6.184 5.108 -7.028 1.00 71.31 O ATOM 141 CB THR A 12 6.324 8.295 -7.009 1.00 61.10 C ATOM 142 OG1 THR A 12 7.245 7.815 -6.022 1.00 11.32 O ATOM 143 CG2 THR A 12 5.780 9.650 -6.586 1.00 51.20 C ATOM 0 H THR A 12 5.008 6.502 -5.263 1.00 12.14 H new ATOM 0 HA THR A 12 4.452 7.691 -7.898 1.00 11.11 H new ATOM 0 HB THR A 12 6.840 8.411 -7.962 1.00 61.10 H new ATOM 0 HG1 THR A 12 7.970 8.465 -5.907 1.00 11.32 H new ATOM 0 HG21 THR A 12 6.606 10.350 -6.457 1.00 51.20 H new ATOM 0 HG22 THR A 12 5.102 10.026 -7.353 1.00 51.20 H new ATOM 0 HG23 THR A 12 5.241 9.548 -5.644 1.00 51.20 H new ATOM 151 N GLU A 13 5.756 5.883 -9.097 1.00 74.14 N ATOM 152 CA GLU A 13 6.275 4.697 -9.767 1.00 55.25 C ATOM 153 C GLU A 13 7.565 4.221 -9.108 1.00 5.33 C ATOM 154 O GLU A 13 7.834 3.023 -9.037 1.00 70.44 O ATOM 155 CB GLU A 13 6.523 4.989 -11.249 1.00 21.01 C ATOM 156 CG GLU A 13 6.512 3.747 -12.125 1.00 12.53 C ATOM 157 CD GLU A 13 7.189 3.971 -13.463 1.00 35.34 C ATOM 158 OE1 GLU A 13 8.431 4.099 -13.484 1.00 63.45 O ATOM 159 OE2 GLU A 13 6.477 4.019 -14.487 1.00 25.30 O ATOM 0 H GLU A 13 5.404 6.604 -9.727 1.00 74.14 H new ATOM 0 HA GLU A 13 5.530 3.906 -9.680 1.00 55.25 H new ATOM 0 HB2 GLU A 13 5.761 5.682 -11.606 1.00 21.01 H new ATOM 0 HB3 GLU A 13 7.485 5.490 -11.356 1.00 21.01 H new ATOM 0 HG2 GLU A 13 7.012 2.933 -11.601 1.00 12.53 H new ATOM 0 HG3 GLU A 13 5.481 3.433 -12.291 1.00 12.53 H new ATOM 166 N ALA A 14 8.362 5.171 -8.626 1.00 61.43 N ATOM 167 CA ALA A 14 9.624 4.850 -7.972 1.00 0.15 C ATOM 168 C ALA A 14 9.388 4.121 -6.653 1.00 2.51 C ATOM 169 O ALA A 14 9.918 3.032 -6.432 1.00 52.40 O ATOM 170 CB ALA A 14 10.436 6.116 -7.739 1.00 72.44 C ATOM 0 H ALA A 14 8.155 6.168 -8.677 1.00 61.43 H new ATOM 0 HA ALA A 14 10.187 4.187 -8.629 1.00 0.15 H new ATOM 0 HB1 ALA A 14 11.376 5.861 -7.250 1.00 72.44 H new ATOM 0 HB2 ALA A 14 10.643 6.596 -8.695 1.00 72.44 H new ATOM 0 HB3 ALA A 14 9.871 6.799 -7.105 1.00 72.44 H new ATOM 176 N TRP A 15 8.591 4.729 -5.781 1.00 63.34 N ATOM 177 CA TRP A 15 8.287 4.137 -4.484 1.00 2.32 C ATOM 178 C TRP A 15 7.586 2.793 -4.649 1.00 12.32 C ATOM 179 O TRP A 15 7.831 1.857 -3.888 1.00 73.11 O ATOM 180 CB TRP A 15 7.413 5.084 -3.660 1.00 41.53 C ATOM 181 CG TRP A 15 7.143 4.588 -2.272 1.00 72.32 C ATOM 182 CD1 TRP A 15 7.866 4.865 -1.147 1.00 51.44 C ATOM 183 CD2 TRP A 15 6.074 3.727 -1.863 1.00 75.21 C ATOM 184 NE1 TRP A 15 7.312 4.228 -0.064 1.00 44.40 N ATOM 185 CE2 TRP A 15 6.211 3.524 -0.475 1.00 53.45 C ATOM 186 CE3 TRP A 15 5.014 3.110 -2.532 1.00 70.35 C ATOM 187 CZ2 TRP A 15 5.328 2.729 0.250 1.00 20.34 C ATOM 188 CZ3 TRP A 15 4.139 2.320 -1.810 1.00 50.24 C ATOM 189 CH2 TRP A 15 4.300 2.137 -0.431 1.00 32.14 C ATOM 0 H TRP A 15 8.144 5.631 -5.949 1.00 63.34 H new ATOM 0 HA TRP A 15 9.228 3.973 -3.959 1.00 2.32 H new ATOM 0 HB2 TRP A 15 7.900 6.058 -3.602 1.00 41.53 H new ATOM 0 HB3 TRP A 15 6.464 5.232 -4.176 1.00 41.53 H new ATOM 0 HD1 TRP A 15 8.744 5.493 -1.114 1.00 51.44 H new ATOM 0 HE1 TRP A 15 7.664 4.272 0.892 1.00 44.40 H new ATOM 0 HE3 TRP A 15 4.880 3.248 -3.595 1.00 70.35 H new ATOM 0 HZ2 TRP A 15 5.450 2.585 1.313 1.00 20.34 H new ATOM 0 HZ3 TRP A 15 3.318 1.836 -2.318 1.00 50.24 H new ATOM 0 HH2 TRP A 15 3.598 1.516 0.106 1.00 32.14 H new ATOM 200 N ALA A 16 6.714 2.704 -5.648 1.00 53.50 N ATOM 201 CA ALA A 16 5.980 1.474 -5.914 1.00 21.41 C ATOM 202 C ALA A 16 6.914 0.371 -6.400 1.00 25.42 C ATOM 203 O ALA A 16 6.810 -0.777 -5.969 1.00 22.24 O ATOM 204 CB ALA A 16 4.881 1.725 -6.935 1.00 43.24 C ATOM 0 H ALA A 16 6.499 3.470 -6.286 1.00 53.50 H new ATOM 0 HA ALA A 16 5.525 1.143 -4.980 1.00 21.41 H new ATOM 0 HB1 ALA A 16 4.341 0.797 -7.124 1.00 43.24 H new ATOM 0 HB2 ALA A 16 4.190 2.475 -6.549 1.00 43.24 H new ATOM 0 HB3 ALA A 16 5.323 2.083 -7.865 1.00 43.24 H new ATOM 210 N GLN A 17 7.826 0.727 -7.300 1.00 14.13 N ATOM 211 CA GLN A 17 8.777 -0.234 -7.845 1.00 12.33 C ATOM 212 C GLN A 17 9.786 -0.662 -6.784 1.00 55.23 C ATOM 213 O GLN A 17 10.092 -1.846 -6.647 1.00 33.52 O ATOM 214 CB GLN A 17 9.508 0.367 -9.047 1.00 70.23 C ATOM 215 CG GLN A 17 8.600 0.644 -10.234 1.00 71.13 C ATOM 216 CD GLN A 17 8.819 -0.330 -11.376 1.00 41.15 C ATOM 217 OE1 GLN A 17 9.945 -0.753 -11.639 1.00 52.45 O ATOM 218 NE2 GLN A 17 7.740 -0.691 -12.061 1.00 40.14 N ATOM 0 H GLN A 17 7.926 1.674 -7.667 1.00 14.13 H new ATOM 0 HA GLN A 17 8.222 -1.114 -8.169 1.00 12.33 H new ATOM 0 HB2 GLN A 17 9.988 1.297 -8.742 1.00 70.23 H new ATOM 0 HB3 GLN A 17 10.301 -0.314 -9.357 1.00 70.23 H new ATOM 0 HG2 GLN A 17 7.560 0.592 -9.911 1.00 71.13 H new ATOM 0 HG3 GLN A 17 8.773 1.660 -10.590 1.00 71.13 H new ATOM 0 HE21 GLN A 17 6.826 -0.315 -11.808 1.00 40.14 H new ATOM 0 HE22 GLN A 17 7.825 -1.344 -12.840 1.00 40.14 H new ATOM 227 N ALA A 18 10.300 0.309 -6.036 1.00 73.12 N ATOM 228 CA ALA A 18 11.272 0.032 -4.986 1.00 61.25 C ATOM 229 C ALA A 18 10.632 -0.731 -3.832 1.00 1.43 C ATOM 230 O ALA A 18 11.220 -1.668 -3.292 1.00 50.42 O ATOM 231 CB ALA A 18 11.894 1.328 -4.486 1.00 74.43 C ATOM 0 H ALA A 18 10.059 1.295 -6.138 1.00 73.12 H new ATOM 0 HA ALA A 18 12.057 -0.595 -5.409 1.00 61.25 H new ATOM 0 HB1 ALA A 18 12.618 1.105 -3.702 1.00 74.43 H new ATOM 0 HB2 ALA A 18 12.396 1.833 -5.311 1.00 74.43 H new ATOM 0 HB3 ALA A 18 11.114 1.975 -4.086 1.00 74.43 H new ATOM 237 N TYR A 19 9.425 -0.322 -3.457 1.00 52.24 N ATOM 238 CA TYR A 19 8.705 -0.965 -2.364 1.00 4.54 C ATOM 239 C TYR A 19 8.308 -2.390 -2.736 1.00 52.23 C ATOM 240 O TYR A 19 8.014 -3.212 -1.868 1.00 30.51 O ATOM 241 CB TYR A 19 7.461 -0.154 -1.998 1.00 74.41 C ATOM 242 CG TYR A 19 6.572 -0.835 -0.981 1.00 45.43 C ATOM 243 CD1 TYR A 19 7.112 -1.434 0.151 1.00 73.11 C ATOM 244 CD2 TYR A 19 5.195 -0.878 -1.151 1.00 74.03 C ATOM 245 CE1 TYR A 19 6.303 -2.057 1.082 1.00 24.01 C ATOM 246 CE2 TYR A 19 4.378 -1.498 -0.225 1.00 5.44 C ATOM 247 CZ TYR A 19 4.938 -2.086 0.890 1.00 33.41 C ATOM 248 OH TYR A 19 4.130 -2.705 1.816 1.00 1.32 O ATOM 0 H TYR A 19 8.925 0.452 -3.894 1.00 52.24 H new ATOM 0 HA TYR A 19 9.369 -1.007 -1.501 1.00 4.54 H new ATOM 0 HB2 TYR A 19 7.771 0.815 -1.606 1.00 74.41 H new ATOM 0 HB3 TYR A 19 6.884 0.038 -2.902 1.00 74.41 H new ATOM 0 HD1 TYR A 19 8.181 -1.412 0.305 1.00 73.11 H new ATOM 0 HD2 TYR A 19 4.754 -0.418 -2.023 1.00 74.03 H new ATOM 0 HE1 TYR A 19 6.738 -2.519 1.956 1.00 24.01 H new ATOM 0 HE2 TYR A 19 3.308 -1.522 -0.373 1.00 5.44 H new ATOM 0 HH TYR A 19 4.192 -2.232 2.672 1.00 1.32 H new ATOM 258 N CYS A 20 8.300 -2.675 -4.034 1.00 0.21 N ATOM 259 CA CYS A 20 7.939 -3.999 -4.524 1.00 50.23 C ATOM 260 C CYS A 20 9.118 -4.961 -4.412 1.00 13.43 C ATOM 261 O CYS A 20 8.944 -6.136 -4.087 1.00 1.34 O ATOM 262 CB CYS A 20 7.471 -3.917 -5.979 1.00 1.03 C ATOM 263 SG CYS A 20 6.910 -5.506 -6.671 1.00 2.52 S ATOM 0 H CYS A 20 8.540 -2.006 -4.766 1.00 0.21 H new ATOM 0 HA CYS A 20 7.124 -4.377 -3.907 1.00 50.23 H new ATOM 0 HB2 CYS A 20 6.657 -3.196 -6.047 1.00 1.03 H new ATOM 0 HB3 CYS A 20 8.288 -3.535 -6.591 1.00 1.03 H new ATOM 268 N ARG A 21 10.316 -4.454 -4.682 1.00 1.45 N ATOM 269 CA ARG A 21 11.524 -5.268 -4.611 1.00 54.45 C ATOM 270 C ARG A 21 12.046 -5.343 -3.180 1.00 43.02 C ATOM 271 O ARG A 21 12.613 -6.355 -2.767 1.00 64.11 O ATOM 272 CB ARG A 21 12.604 -4.695 -5.531 1.00 20.23 C ATOM 273 CG ARG A 21 13.142 -3.349 -5.073 1.00 63.40 C ATOM 274 CD ARG A 21 14.474 -3.028 -5.734 1.00 54.41 C ATOM 275 NE ARG A 21 15.500 -2.676 -4.756 1.00 61.12 N ATOM 276 CZ ARG A 21 15.554 -1.503 -4.138 1.00 53.41 C ATOM 277 NH1 ARG A 21 14.645 -0.572 -4.394 1.00 52.40 N ATOM 278 NH2 ARG A 21 16.519 -1.257 -3.260 1.00 54.15 N ATOM 0 H ARG A 21 10.477 -3.484 -4.952 1.00 1.45 H new ATOM 0 HA ARG A 21 11.273 -6.276 -4.940 1.00 54.45 H new ATOM 0 HB2 ARG A 21 13.429 -5.404 -5.594 1.00 20.23 H new ATOM 0 HB3 ARG A 21 12.195 -4.591 -6.536 1.00 20.23 H new ATOM 0 HG2 ARG A 21 12.420 -2.568 -5.309 1.00 63.40 H new ATOM 0 HG3 ARG A 21 13.264 -3.354 -3.990 1.00 63.40 H new ATOM 0 HD2 ARG A 21 14.807 -3.888 -6.315 1.00 54.41 H new ATOM 0 HD3 ARG A 21 14.342 -2.203 -6.434 1.00 54.41 H new ATOM 0 HE ARG A 21 16.214 -3.370 -4.536 1.00 61.12 H new ATOM 0 HH11 ARG A 21 13.902 -0.757 -5.068 1.00 52.40 H new ATOM 0 HH12 ARG A 21 14.689 0.329 -3.917 1.00 52.40 H new ATOM 0 HH21 ARG A 21 17.220 -1.970 -3.060 1.00 54.15 H new ATOM 0 HH22 ARG A 21 16.559 -0.355 -2.786 1.00 54.15 H new ATOM 292 N LYS A 22 11.851 -4.266 -2.427 1.00 1.11 N ATOM 293 CA LYS A 22 12.301 -4.208 -1.042 1.00 20.30 C ATOM 294 C LYS A 22 11.630 -5.294 -0.206 1.00 11.24 C ATOM 295 O LYS A 22 12.176 -5.742 0.803 1.00 13.15 O ATOM 296 CB LYS A 22 12.004 -2.832 -0.444 1.00 13.41 C ATOM 297 CG LYS A 22 12.881 -2.483 0.746 1.00 44.13 C ATOM 298 CD LYS A 22 14.193 -1.855 0.306 1.00 22.41 C ATOM 299 CE LYS A 22 15.161 -1.712 1.470 1.00 22.45 C ATOM 300 NZ LYS A 22 16.482 -2.331 1.173 1.00 43.24 N ATOM 0 H LYS A 22 11.384 -3.420 -2.754 1.00 1.11 H new ATOM 0 HA LYS A 22 13.378 -4.377 -1.029 1.00 20.30 H new ATOM 0 HB2 LYS A 22 12.135 -2.074 -1.216 1.00 13.41 H new ATOM 0 HB3 LYS A 22 10.959 -2.797 -0.137 1.00 13.41 H new ATOM 0 HG2 LYS A 22 12.349 -1.794 1.402 1.00 44.13 H new ATOM 0 HG3 LYS A 22 13.084 -3.383 1.326 1.00 44.13 H new ATOM 0 HD2 LYS A 22 14.647 -2.467 -0.473 1.00 22.41 H new ATOM 0 HD3 LYS A 22 14.000 -0.875 -0.131 1.00 22.41 H new ATOM 0 HE2 LYS A 22 15.299 -0.655 1.700 1.00 22.45 H new ATOM 0 HE3 LYS A 22 14.733 -2.178 2.357 1.00 22.45 H new ATOM 0 HZ1 LYS A 22 17.113 -2.212 1.991 1.00 43.24 H new ATOM 0 HZ2 LYS A 22 16.355 -3.345 0.979 1.00 43.24 H new ATOM 0 HZ3 LYS A 22 16.903 -1.869 0.342 1.00 43.24 H new ATOM 314 N LEU A 23 10.443 -5.713 -0.633 1.00 24.32 N ATOM 315 CA LEU A 23 9.698 -6.748 0.076 1.00 52.34 C ATOM 316 C LEU A 23 10.324 -8.120 -0.147 1.00 25.41 C ATOM 317 O LEU A 23 10.375 -8.946 0.763 1.00 53.32 O ATOM 318 CB LEU A 23 8.239 -6.759 -0.387 1.00 1.15 C ATOM 319 CG LEU A 23 7.390 -5.562 0.040 1.00 3.43 C ATOM 320 CD1 LEU A 23 6.097 -5.513 -0.757 1.00 34.02 C ATOM 321 CD2 LEU A 23 7.097 -5.621 1.533 1.00 23.33 C ATOM 0 H LEU A 23 9.977 -5.352 -1.465 1.00 24.32 H new ATOM 0 HA LEU A 23 9.734 -6.522 1.142 1.00 52.34 H new ATOM 0 HB2 LEU A 23 8.225 -6.819 -1.475 1.00 1.15 H new ATOM 0 HB3 LEU A 23 7.766 -7.667 -0.011 1.00 1.15 H new ATOM 0 HG LEU A 23 7.953 -4.651 -0.164 1.00 3.43 H new ATOM 0 HD11 LEU A 23 5.506 -4.654 -0.439 1.00 34.02 H new ATOM 0 HD12 LEU A 23 6.327 -5.422 -1.819 1.00 34.02 H new ATOM 0 HD13 LEU A 23 5.529 -6.428 -0.586 1.00 34.02 H new ATOM 0 HD21 LEU A 23 6.492 -4.761 1.819 1.00 23.33 H new ATOM 0 HD22 LEU A 23 6.555 -6.539 1.761 1.00 23.33 H new ATOM 0 HD23 LEU A 23 8.035 -5.606 2.089 1.00 23.33 H new ATOM 333 N ASN A 24 10.803 -8.355 -1.364 1.00 63.33 N ATOM 334 CA ASN A 24 11.430 -9.627 -1.707 1.00 35.22 C ATOM 335 C ASN A 24 12.622 -9.909 -0.798 1.00 44.01 C ATOM 336 O ASN A 24 13.036 -11.057 -0.638 1.00 75.15 O ATOM 337 CB ASN A 24 11.878 -9.622 -3.170 1.00 24.35 C ATOM 338 CG ASN A 24 10.784 -10.084 -4.112 1.00 61.13 C ATOM 339 OD1 ASN A 24 10.305 -11.213 -4.018 1.00 34.33 O ATOM 340 ND2 ASN A 24 10.383 -9.209 -5.027 1.00 42.34 N ATOM 0 H ASN A 24 10.769 -7.682 -2.129 1.00 63.33 H new ATOM 0 HA ASN A 24 10.693 -10.417 -1.564 1.00 35.22 H new ATOM 0 HB2 ASN A 24 12.191 -8.616 -3.448 1.00 24.35 H new ATOM 0 HB3 ASN A 24 12.748 -10.269 -3.283 1.00 24.35 H new ATOM 0 HD21 ASN A 24 9.649 -9.463 -5.688 1.00 42.34 H new ATOM 0 HD22 ASN A 24 10.809 -8.283 -5.068 1.00 42.34 H new ATOM 347 N GLU A 25 13.169 -8.853 -0.204 1.00 74.20 N ATOM 348 CA GLU A 25 14.314 -8.987 0.688 1.00 65.21 C ATOM 349 C GLU A 25 13.878 -9.488 2.062 1.00 34.32 C ATOM 350 O GLU A 25 14.614 -10.211 2.734 1.00 74.33 O ATOM 351 CB GLU A 25 15.039 -7.647 0.829 1.00 43.42 C ATOM 352 CG GLU A 25 15.415 -7.015 -0.501 1.00 71.50 C ATOM 353 CD GLU A 25 16.895 -6.703 -0.600 1.00 23.10 C ATOM 354 OE1 GLU A 25 17.445 -6.123 0.360 1.00 33.40 O ATOM 355 OE2 GLU A 25 17.505 -7.037 -1.638 1.00 14.12 O ATOM 0 H GLU A 25 12.838 -7.896 -0.325 1.00 74.20 H new ATOM 0 HA GLU A 25 14.996 -9.717 0.253 1.00 65.21 H new ATOM 0 HB2 GLU A 25 14.403 -6.956 1.383 1.00 43.42 H new ATOM 0 HB3 GLU A 25 15.943 -7.793 1.421 1.00 43.42 H new ATOM 0 HG2 GLU A 25 15.134 -7.688 -1.311 1.00 71.50 H new ATOM 0 HG3 GLU A 25 14.844 -6.097 -0.637 1.00 71.50 H new ATOM 362 N SER A 26 12.675 -9.098 2.473 1.00 63.31 N ATOM 363 CA SER A 26 12.142 -9.504 3.769 1.00 61.55 C ATOM 364 C SER A 26 11.559 -10.913 3.698 1.00 5.23 C ATOM 365 O SER A 26 10.378 -11.093 3.407 1.00 12.34 O ATOM 366 CB SER A 26 11.067 -8.518 4.233 1.00 44.13 C ATOM 367 OG SER A 26 10.941 -8.529 5.643 1.00 3.24 O ATOM 0 H SER A 26 12.052 -8.502 1.928 1.00 63.31 H new ATOM 0 HA SER A 26 12.961 -9.503 4.489 1.00 61.55 H new ATOM 0 HB2 SER A 26 11.320 -7.513 3.895 1.00 44.13 H new ATOM 0 HB3 SER A 26 10.111 -8.776 3.777 1.00 44.13 H new ATOM 0 HG SER A 26 10.250 -7.890 5.915 1.00 3.24 H new ATOM 373 N GLU A 27 12.398 -11.907 3.968 1.00 24.01 N ATOM 374 CA GLU A 27 11.968 -13.300 3.936 1.00 51.24 C ATOM 375 C GLU A 27 10.738 -13.509 4.814 1.00 74.14 C ATOM 376 O GLU A 27 9.869 -14.324 4.501 1.00 41.35 O ATOM 377 CB GLU A 27 13.100 -14.219 4.398 1.00 22.04 C ATOM 378 CG GLU A 27 12.885 -15.679 4.039 1.00 50.22 C ATOM 379 CD GLU A 27 14.127 -16.522 4.254 1.00 74.10 C ATOM 380 OE1 GLU A 27 14.531 -16.695 5.422 1.00 23.13 O ATOM 381 OE2 GLU A 27 14.694 -17.009 3.253 1.00 43.00 O ATOM 0 H GLU A 27 13.380 -11.774 4.211 1.00 24.01 H new ATOM 0 HA GLU A 27 11.706 -13.549 2.907 1.00 51.24 H new ATOM 0 HB2 GLU A 27 14.036 -13.879 3.955 1.00 22.04 H new ATOM 0 HB3 GLU A 27 13.209 -14.132 5.479 1.00 22.04 H new ATOM 0 HG2 GLU A 27 12.069 -16.081 4.640 1.00 50.22 H new ATOM 0 HG3 GLU A 27 12.578 -15.751 2.996 1.00 50.22 H new ATOM 388 N ALA A 28 10.671 -12.769 5.916 1.00 41.32 N ATOM 389 CA ALA A 28 9.548 -12.872 6.839 1.00 62.22 C ATOM 390 C ALA A 28 8.230 -12.562 6.137 1.00 72.34 C ATOM 391 O ALA A 28 7.306 -13.375 6.145 1.00 55.20 O ATOM 392 CB ALA A 28 9.750 -11.938 8.022 1.00 4.52 C ATOM 0 H ALA A 28 11.382 -12.091 6.191 1.00 41.32 H new ATOM 0 HA ALA A 28 9.503 -13.898 7.204 1.00 62.22 H new ATOM 0 HB1 ALA A 28 8.904 -12.025 8.703 1.00 4.52 H new ATOM 0 HB2 ALA A 28 10.667 -12.208 8.546 1.00 4.52 H new ATOM 0 HB3 ALA A 28 9.824 -10.911 7.666 1.00 4.52 H new ATOM 398 N TYR A 29 8.151 -11.382 5.532 1.00 70.45 N ATOM 399 CA TYR A 29 6.945 -10.965 4.827 1.00 13.24 C ATOM 400 C TYR A 29 6.427 -12.080 3.924 1.00 2.23 C ATOM 401 O TYR A 29 5.267 -12.482 4.018 1.00 15.32 O ATOM 402 CB TYR A 29 7.222 -9.709 3.998 1.00 10.35 C ATOM 403 CG TYR A 29 6.164 -9.426 2.956 1.00 60.54 C ATOM 404 CD1 TYR A 29 4.824 -9.320 3.307 1.00 4.51 C ATOM 405 CD2 TYR A 29 6.506 -9.265 1.618 1.00 63.20 C ATOM 406 CE1 TYR A 29 3.855 -9.062 2.357 1.00 45.25 C ATOM 407 CE2 TYR A 29 5.543 -9.007 0.661 1.00 43.40 C ATOM 408 CZ TYR A 29 4.220 -8.906 1.036 1.00 63.44 C ATOM 409 OH TYR A 29 3.257 -8.648 0.086 1.00 22.01 O ATOM 0 H TYR A 29 8.907 -10.698 5.516 1.00 70.45 H new ATOM 0 HA TYR A 29 6.180 -10.741 5.571 1.00 13.24 H new ATOM 0 HB2 TYR A 29 7.299 -8.852 4.667 1.00 10.35 H new ATOM 0 HB3 TYR A 29 8.188 -9.816 3.504 1.00 10.35 H new ATOM 0 HD1 TYR A 29 4.535 -9.441 4.340 1.00 4.51 H new ATOM 0 HD2 TYR A 29 7.542 -9.343 1.322 1.00 63.20 H new ATOM 0 HE1 TYR A 29 2.818 -8.983 2.647 1.00 45.25 H new ATOM 0 HE2 TYR A 29 5.825 -8.885 -0.374 1.00 43.40 H new ATOM 0 HH TYR A 29 3.680 -8.564 -0.794 1.00 22.01 H new ATOM 419 N ARG A 30 7.297 -12.575 3.049 1.00 33.24 N ATOM 420 CA ARG A 30 6.929 -13.644 2.128 1.00 13.53 C ATOM 421 C ARG A 30 6.225 -14.779 2.866 1.00 41.34 C ATOM 422 O ARG A 30 5.226 -15.320 2.389 1.00 42.34 O ATOM 423 CB ARG A 30 8.170 -14.178 1.412 1.00 54.12 C ATOM 424 CG ARG A 30 7.978 -14.360 -0.085 1.00 23.50 C ATOM 425 CD ARG A 30 7.557 -15.782 -0.425 1.00 5.24 C ATOM 426 NE ARG A 30 8.041 -16.197 -1.738 1.00 45.14 N ATOM 427 CZ ARG A 30 8.006 -17.452 -2.172 1.00 1.23 C ATOM 428 NH1 ARG A 30 7.512 -18.410 -1.399 1.00 52.44 N ATOM 429 NH2 ARG A 30 8.465 -17.751 -3.380 1.00 44.31 N ATOM 0 H ARG A 30 8.261 -12.253 2.959 1.00 33.24 H new ATOM 0 HA ARG A 30 6.241 -13.233 1.389 1.00 13.53 H new ATOM 0 HB2 ARG A 30 9.001 -13.493 1.583 1.00 54.12 H new ATOM 0 HB3 ARG A 30 8.450 -15.135 1.853 1.00 54.12 H new ATOM 0 HG2 ARG A 30 7.223 -13.660 -0.444 1.00 23.50 H new ATOM 0 HG3 ARG A 30 8.906 -14.121 -0.604 1.00 23.50 H new ATOM 0 HD2 ARG A 30 7.939 -16.464 0.334 1.00 5.24 H new ATOM 0 HD3 ARG A 30 6.470 -15.854 -0.400 1.00 5.24 H new ATOM 0 HE ARG A 30 8.427 -15.484 -2.357 1.00 45.14 H new ATOM 0 HH11 ARG A 30 7.158 -18.184 -0.470 1.00 52.44 H new ATOM 0 HH12 ARG A 30 7.486 -19.373 -1.734 1.00 52.44 H new ATOM 0 HH21 ARG A 30 8.846 -17.017 -3.977 1.00 44.31 H new ATOM 0 HH22 ARG A 30 8.437 -18.715 -3.712 1.00 44.31 H new ATOM 443 N LYS A 31 6.752 -15.137 4.031 1.00 23.23 N ATOM 444 CA LYS A 31 6.176 -16.207 4.837 1.00 43.25 C ATOM 445 C LYS A 31 4.824 -15.791 5.406 1.00 33.34 C ATOM 446 O LYS A 31 3.955 -16.631 5.643 1.00 51.13 O ATOM 447 CB LYS A 31 7.126 -16.586 5.974 1.00 3.11 C ATOM 448 CG LYS A 31 8.402 -17.262 5.502 1.00 72.00 C ATOM 449 CD LYS A 31 9.223 -17.782 6.670 1.00 55.22 C ATOM 450 CE LYS A 31 9.667 -19.218 6.444 1.00 71.40 C ATOM 451 NZ LYS A 31 10.426 -19.755 7.608 1.00 61.03 N ATOM 0 H LYS A 31 7.579 -14.701 4.439 1.00 23.23 H new ATOM 0 HA LYS A 31 6.028 -17.074 4.193 1.00 43.25 H new ATOM 0 HB2 LYS A 31 7.387 -15.687 6.533 1.00 3.11 H new ATOM 0 HB3 LYS A 31 6.606 -17.251 6.664 1.00 3.11 H new ATOM 0 HG2 LYS A 31 8.152 -18.088 4.836 1.00 72.00 H new ATOM 0 HG3 LYS A 31 8.997 -16.555 4.924 1.00 72.00 H new ATOM 0 HD2 LYS A 31 10.098 -17.148 6.812 1.00 55.22 H new ATOM 0 HD3 LYS A 31 8.634 -17.722 7.585 1.00 55.22 H new ATOM 0 HE2 LYS A 31 8.793 -19.843 6.261 1.00 71.40 H new ATOM 0 HE3 LYS A 31 10.289 -19.269 5.550 1.00 71.40 H new ATOM 0 HZ1 LYS A 31 10.711 -20.736 7.414 1.00 61.03 H new ATOM 0 HZ2 LYS A 31 11.274 -19.174 7.768 1.00 61.03 H new ATOM 0 HZ3 LYS A 31 9.824 -19.730 8.456 1.00 61.03 H new ATOM 465 N ALA A 32 4.653 -14.491 5.624 1.00 74.54 N ATOM 466 CA ALA A 32 3.404 -13.966 6.162 1.00 10.53 C ATOM 467 C ALA A 32 2.306 -13.967 5.104 1.00 52.40 C ATOM 468 O ALA A 32 1.222 -14.508 5.322 1.00 43.22 O ATOM 469 CB ALA A 32 3.615 -12.559 6.705 1.00 25.41 C ATOM 0 H ALA A 32 5.363 -13.783 5.437 1.00 74.54 H new ATOM 0 HA ALA A 32 3.086 -14.616 6.977 1.00 10.53 H new ATOM 0 HB1 ALA A 32 2.675 -12.178 7.104 1.00 25.41 H new ATOM 0 HB2 ALA A 32 4.362 -12.583 7.498 1.00 25.41 H new ATOM 0 HB3 ALA A 32 3.959 -11.907 5.902 1.00 25.41 H new ATOM 475 N ALA A 33 2.593 -13.356 3.960 1.00 52.12 N ATOM 476 CA ALA A 33 1.630 -13.288 2.868 1.00 33.01 C ATOM 477 C ALA A 33 1.745 -14.506 1.958 1.00 53.24 C ATOM 478 O ALA A 33 1.491 -14.420 0.755 1.00 32.44 O ATOM 479 CB ALA A 33 1.827 -12.008 2.069 1.00 61.04 C ATOM 0 H ALA A 33 3.485 -12.901 3.765 1.00 52.12 H new ATOM 0 HA ALA A 33 0.629 -13.283 3.299 1.00 33.01 H new ATOM 0 HB1 ALA A 33 1.101 -11.971 1.257 1.00 61.04 H new ATOM 0 HB2 ALA A 33 1.686 -11.146 2.722 1.00 61.04 H new ATOM 0 HB3 ALA A 33 2.835 -11.989 1.655 1.00 61.04 H new ATOM 485 N SER A 34 2.131 -15.637 2.537 1.00 70.20 N ATOM 486 CA SER A 34 2.284 -16.872 1.776 1.00 4.22 C ATOM 487 C SER A 34 0.994 -17.220 1.039 1.00 24.23 C ATOM 488 O SER A 34 -0.103 -16.919 1.508 1.00 12.12 O ATOM 489 CB SER A 34 2.681 -18.022 2.704 1.00 33.11 C ATOM 490 OG SER A 34 3.964 -18.525 2.373 1.00 13.14 O ATOM 0 H SER A 34 2.344 -15.725 3.531 1.00 70.20 H new ATOM 0 HA SER A 34 3.073 -16.720 1.039 1.00 4.22 H new ATOM 0 HB2 SER A 34 2.678 -17.677 3.738 1.00 33.11 H new ATOM 0 HB3 SER A 34 1.944 -18.822 2.633 1.00 33.11 H new ATOM 0 HG SER A 34 4.195 -19.258 2.981 1.00 13.14 H new ATOM 496 N THR A 35 1.136 -17.857 -0.120 1.00 10.45 N ATOM 497 CA THR A 35 -0.016 -18.246 -0.924 1.00 11.52 C ATOM 498 C THR A 35 -1.007 -17.095 -1.056 1.00 21.02 C ATOM 499 O THR A 35 -2.195 -17.311 -1.295 1.00 62.52 O ATOM 500 CB THR A 35 -0.739 -19.464 -0.318 1.00 4.43 C ATOM 501 OG1 THR A 35 -1.195 -19.155 1.004 1.00 3.23 O ATOM 502 CG2 THR A 35 0.183 -20.672 -0.272 1.00 62.31 C ATOM 0 H THR A 35 2.037 -18.114 -0.522 1.00 10.45 H new ATOM 0 HA THR A 35 0.362 -18.512 -1.911 1.00 11.52 H new ATOM 0 HB THR A 35 -1.594 -19.703 -0.950 1.00 4.43 H new ATOM 0 HG1 THR A 35 -1.172 -18.185 1.140 1.00 3.23 H new ATOM 0 HG21 THR A 35 -0.349 -21.520 0.160 1.00 62.31 H new ATOM 0 HG22 THR A 35 0.505 -20.922 -1.283 1.00 62.31 H new ATOM 0 HG23 THR A 35 1.055 -20.441 0.340 1.00 62.31 H new ATOM 510 N TRP A 36 -0.511 -15.872 -0.901 1.00 22.30 N ATOM 511 CA TRP A 36 -1.354 -14.687 -1.005 1.00 32.11 C ATOM 512 C TRP A 36 -2.194 -14.725 -2.277 1.00 73.33 C ATOM 513 O TRP A 36 -3.422 -14.778 -2.220 1.00 4.03 O ATOM 514 CB TRP A 36 -0.496 -13.422 -0.983 1.00 53.05 C ATOM 515 CG TRP A 36 -1.172 -12.235 -1.602 1.00 5.31 C ATOM 516 CD1 TRP A 36 -1.104 -11.842 -2.909 1.00 21.34 C ATOM 517 CD2 TRP A 36 -2.014 -11.286 -0.939 1.00 61.41 C ATOM 518 NE1 TRP A 36 -1.854 -10.707 -3.098 1.00 15.54 N ATOM 519 CE2 TRP A 36 -2.423 -10.347 -1.905 1.00 14.44 C ATOM 520 CE3 TRP A 36 -2.465 -11.142 0.375 1.00 5.33 C ATOM 521 CZ2 TRP A 36 -3.260 -9.277 -1.595 1.00 64.22 C ATOM 522 CZ3 TRP A 36 -3.294 -10.079 0.682 1.00 70.50 C ATOM 523 CH2 TRP A 36 -3.686 -9.159 -0.300 1.00 23.40 C ATOM 0 H TRP A 36 0.470 -15.676 -0.703 1.00 22.30 H new ATOM 0 HA TRP A 36 -2.028 -14.675 -0.148 1.00 32.11 H new ATOM 0 HB2 TRP A 36 -0.236 -13.186 0.049 1.00 53.05 H new ATOM 0 HB3 TRP A 36 0.438 -13.616 -1.511 1.00 53.05 H new ATOM 0 HD1 TRP A 36 -0.543 -12.349 -3.680 1.00 21.34 H new ATOM 0 HE1 TRP A 36 -1.969 -10.213 -3.983 1.00 15.54 H new ATOM 0 HE3 TRP A 36 -2.171 -11.848 1.137 1.00 5.33 H new ATOM 0 HZ2 TRP A 36 -3.562 -8.566 -2.350 1.00 64.22 H new ATOM 0 HZ3 TRP A 36 -3.645 -9.955 1.696 1.00 70.50 H new ATOM 0 HH2 TRP A 36 -4.337 -8.341 -0.029 1.00 23.40 H new ATOM 534 N GLU A 37 -1.523 -14.700 -3.424 1.00 41.22 N ATOM 535 CA GLU A 37 -2.209 -14.731 -4.711 1.00 1.05 C ATOM 536 C GLU A 37 -3.091 -13.499 -4.887 1.00 54.51 C ATOM 537 O GLU A 37 -3.916 -13.184 -4.031 1.00 0.13 O ATOM 538 CB GLU A 37 -3.057 -15.999 -4.830 1.00 73.23 C ATOM 539 CG GLU A 37 -2.286 -17.277 -4.543 1.00 4.35 C ATOM 540 CD GLU A 37 -3.096 -18.525 -4.835 1.00 24.21 C ATOM 541 OE1 GLU A 37 -4.004 -18.458 -5.689 1.00 23.23 O ATOM 542 OE2 GLU A 37 -2.820 -19.570 -4.208 1.00 41.31 O ATOM 0 H GLU A 37 -0.506 -14.658 -3.489 1.00 41.22 H new ATOM 0 HA GLU A 37 -1.454 -14.731 -5.497 1.00 1.05 H new ATOM 0 HB2 GLU A 37 -3.898 -15.929 -4.140 1.00 73.23 H new ATOM 0 HB3 GLU A 37 -3.474 -16.054 -5.836 1.00 73.23 H new ATOM 0 HG2 GLU A 37 -1.376 -17.290 -5.143 1.00 4.35 H new ATOM 0 HG3 GLU A 37 -1.979 -17.284 -3.497 1.00 4.35 H new ATOM 549 N GLY A 38 -2.909 -12.802 -6.006 1.00 64.42 N ATOM 550 CA GLY A 38 -3.693 -11.612 -6.275 1.00 51.40 C ATOM 551 C GLY A 38 -2.850 -10.352 -6.287 1.00 21.55 C ATOM 552 O GLY A 38 -1.682 -10.375 -5.898 1.00 30.53 O ATOM 0 H GLY A 38 -2.232 -13.042 -6.730 1.00 64.42 H new ATOM 0 HA2 GLY A 38 -4.193 -11.720 -7.238 1.00 51.40 H new ATOM 0 HA3 GLY A 38 -4.473 -11.516 -5.520 1.00 51.40 H new ATOM 556 N SER A 39 -3.442 -9.250 -6.734 1.00 52.35 N ATOM 557 CA SER A 39 -2.736 -7.976 -6.800 1.00 5.32 C ATOM 558 C SER A 39 -3.427 -6.926 -5.935 1.00 63.11 C ATOM 559 O SER A 39 -4.651 -6.925 -5.799 1.00 41.44 O ATOM 560 CB SER A 39 -2.655 -7.488 -8.247 1.00 52.22 C ATOM 561 OG SER A 39 -3.902 -7.633 -8.905 1.00 1.41 O ATOM 0 H SER A 39 -4.409 -9.213 -7.056 1.00 52.35 H new ATOM 0 HA SER A 39 -1.726 -8.128 -6.419 1.00 5.32 H new ATOM 0 HB2 SER A 39 -2.351 -6.442 -8.265 1.00 52.22 H new ATOM 0 HB3 SER A 39 -1.890 -8.051 -8.782 1.00 52.22 H new ATOM 0 HG SER A 39 -3.824 -7.312 -9.828 1.00 1.41 H new ATOM 567 N LEU A 40 -2.634 -6.034 -5.352 1.00 32.43 N ATOM 568 CA LEU A 40 -3.168 -4.978 -4.499 1.00 42.02 C ATOM 569 C LEU A 40 -3.035 -3.616 -5.172 1.00 12.40 C ATOM 570 O LEU A 40 -2.121 -3.390 -5.964 1.00 11.30 O ATOM 571 CB LEU A 40 -2.443 -4.967 -3.152 1.00 71.15 C ATOM 572 CG LEU A 40 -2.829 -3.843 -2.190 1.00 55.41 C ATOM 573 CD1 LEU A 40 -4.284 -3.980 -1.767 1.00 1.54 C ATOM 574 CD2 LEU A 40 -1.915 -3.843 -0.974 1.00 32.01 C ATOM 0 H LEU A 40 -1.619 -6.021 -5.454 1.00 32.43 H new ATOM 0 HA LEU A 40 -4.226 -5.179 -4.333 1.00 42.02 H new ATOM 0 HB2 LEU A 40 -2.625 -5.921 -2.656 1.00 71.15 H new ATOM 0 HB3 LEU A 40 -1.371 -4.905 -3.340 1.00 71.15 H new ATOM 0 HG LEU A 40 -2.710 -2.891 -2.707 1.00 55.41 H new ATOM 0 HD11 LEU A 40 -4.542 -3.172 -1.082 1.00 1.54 H new ATOM 0 HD12 LEU A 40 -4.925 -3.928 -2.647 1.00 1.54 H new ATOM 0 HD13 LEU A 40 -4.429 -4.938 -1.268 1.00 1.54 H new ATOM 0 HD21 LEU A 40 -2.205 -3.036 -0.301 1.00 32.01 H new ATOM 0 HD22 LEU A 40 -2.001 -4.797 -0.455 1.00 32.01 H new ATOM 0 HD23 LEU A 40 -0.884 -3.695 -1.294 1.00 32.01 H new ATOM 586 N ALA A 41 -3.953 -2.710 -4.849 1.00 40.34 N ATOM 587 CA ALA A 41 -3.935 -1.368 -5.419 1.00 53.00 C ATOM 588 C ALA A 41 -4.345 -0.326 -4.384 1.00 35.43 C ATOM 589 O ALA A 41 -5.500 -0.281 -3.958 1.00 11.23 O ATOM 590 CB ALA A 41 -4.852 -1.298 -6.632 1.00 31.04 C ATOM 0 H ALA A 41 -4.718 -2.881 -4.196 1.00 40.34 H new ATOM 0 HA ALA A 41 -2.915 -1.148 -5.734 1.00 53.00 H new ATOM 0 HB1 ALA A 41 -4.829 -0.291 -7.048 1.00 31.04 H new ATOM 0 HB2 ALA A 41 -4.514 -2.009 -7.385 1.00 31.04 H new ATOM 0 HB3 ALA A 41 -5.871 -1.544 -6.333 1.00 31.04 H new ATOM 596 N LEU A 42 -3.393 0.507 -3.982 1.00 53.51 N ATOM 597 CA LEU A 42 -3.655 1.550 -2.994 1.00 53.25 C ATOM 598 C LEU A 42 -4.101 2.842 -3.672 1.00 45.23 C ATOM 599 O LEU A 42 -3.282 3.586 -4.209 1.00 43.15 O ATOM 600 CB LEU A 42 -2.405 1.807 -2.152 1.00 73.10 C ATOM 601 CG LEU A 42 -1.789 0.583 -1.474 1.00 61.33 C ATOM 602 CD1 LEU A 42 -0.443 0.933 -0.859 1.00 1.43 C ATOM 603 CD2 LEU A 42 -2.731 0.027 -0.418 1.00 35.04 C ATOM 0 H LEU A 42 -2.432 0.482 -4.324 1.00 53.51 H new ATOM 0 HA LEU A 42 -4.459 1.207 -2.343 1.00 53.25 H new ATOM 0 HB2 LEU A 42 -1.648 2.263 -2.791 1.00 73.10 H new ATOM 0 HB3 LEU A 42 -2.654 2.537 -1.382 1.00 73.10 H new ATOM 0 HG LEU A 42 -1.630 -0.185 -2.231 1.00 61.33 H new ATOM 0 HD11 LEU A 42 -0.020 0.049 -0.381 1.00 1.43 H new ATOM 0 HD12 LEU A 42 0.234 1.282 -1.639 1.00 1.43 H new ATOM 0 HD13 LEU A 42 -0.576 1.719 -0.115 1.00 1.43 H new ATOM 0 HD21 LEU A 42 -2.276 -0.844 0.054 1.00 35.04 H new ATOM 0 HD22 LEU A 42 -2.923 0.790 0.337 1.00 35.04 H new ATOM 0 HD23 LEU A 42 -3.671 -0.264 -0.886 1.00 35.04 H new ATOM 615 N ALA A 43 -5.403 3.102 -3.640 1.00 40.13 N ATOM 616 CA ALA A 43 -5.957 4.307 -4.247 1.00 32.53 C ATOM 617 C ALA A 43 -5.840 5.499 -3.304 1.00 45.44 C ATOM 618 O ALA A 43 -5.736 5.335 -2.088 1.00 75.00 O ATOM 619 CB ALA A 43 -7.410 4.081 -4.637 1.00 62.33 C ATOM 0 H ALA A 43 -6.095 2.495 -3.200 1.00 40.13 H new ATOM 0 HA ALA A 43 -5.382 4.530 -5.146 1.00 32.53 H new ATOM 0 HB1 ALA A 43 -7.811 4.988 -5.089 1.00 62.33 H new ATOM 0 HB2 ALA A 43 -7.471 3.262 -5.353 1.00 62.33 H new ATOM 0 HB3 ALA A 43 -7.990 3.831 -3.749 1.00 62.33 H new ATOM 625 N VAL A 44 -5.855 6.701 -3.873 1.00 72.42 N ATOM 626 CA VAL A 44 -5.752 7.922 -3.083 1.00 30.02 C ATOM 627 C VAL A 44 -6.706 8.993 -3.600 1.00 1.12 C ATOM 628 O VAL A 44 -6.589 9.445 -4.739 1.00 75.21 O ATOM 629 CB VAL A 44 -4.315 8.479 -3.097 1.00 34.01 C ATOM 630 CG1 VAL A 44 -4.264 9.838 -2.417 1.00 2.42 C ATOM 631 CG2 VAL A 44 -3.359 7.503 -2.428 1.00 72.02 C ATOM 0 H VAL A 44 -5.937 6.855 -4.878 1.00 72.42 H new ATOM 0 HA VAL A 44 -6.023 7.662 -2.060 1.00 30.02 H new ATOM 0 HB VAL A 44 -4.002 8.605 -4.134 1.00 34.01 H new ATOM 0 HG11 VAL A 44 -3.242 10.216 -2.436 1.00 2.42 H new ATOM 0 HG12 VAL A 44 -4.918 10.533 -2.944 1.00 2.42 H new ATOM 0 HG13 VAL A 44 -4.595 9.740 -1.383 1.00 2.42 H new ATOM 0 HG21 VAL A 44 -2.349 7.912 -2.447 1.00 72.02 H new ATOM 0 HG22 VAL A 44 -3.667 7.343 -1.395 1.00 72.02 H new ATOM 0 HG23 VAL A 44 -3.376 6.553 -2.963 1.00 72.02 H new ATOM 641 N ARG A 45 -7.648 9.396 -2.754 1.00 20.40 N ATOM 642 CA ARG A 45 -8.623 10.414 -3.125 1.00 72.14 C ATOM 643 C ARG A 45 -7.934 11.627 -3.742 1.00 42.51 C ATOM 644 O ARG A 45 -6.850 12.035 -3.325 1.00 64.31 O ATOM 645 CB ARG A 45 -9.436 10.842 -1.902 1.00 1.53 C ATOM 646 CG ARG A 45 -10.637 9.953 -1.627 1.00 32.41 C ATOM 647 CD ARG A 45 -11.920 10.764 -1.528 1.00 33.41 C ATOM 648 NE ARG A 45 -13.064 10.046 -2.082 1.00 55.11 N ATOM 649 CZ ARG A 45 -14.236 10.617 -2.339 1.00 71.21 C ATOM 650 NH1 ARG A 45 -14.417 11.908 -2.091 1.00 63.35 N ATOM 651 NH2 ARG A 45 -15.230 9.898 -2.844 1.00 0.04 N ATOM 0 H ARG A 45 -7.757 9.033 -1.807 1.00 20.40 H new ATOM 0 HA ARG A 45 -9.296 9.984 -3.867 1.00 72.14 H new ATOM 0 HB2 ARG A 45 -8.787 10.842 -1.027 1.00 1.53 H new ATOM 0 HB3 ARG A 45 -9.779 11.867 -2.045 1.00 1.53 H new ATOM 0 HG2 ARG A 45 -10.733 9.214 -2.422 1.00 32.41 H new ATOM 0 HG3 ARG A 45 -10.480 9.404 -0.698 1.00 32.41 H new ATOM 0 HD2 ARG A 45 -12.116 11.007 -0.484 1.00 33.41 H new ATOM 0 HD3 ARG A 45 -11.794 11.709 -2.057 1.00 33.41 H new ATOM 0 HE ARG A 45 -12.958 9.052 -2.283 1.00 55.11 H new ATOM 0 HH11 ARG A 45 -13.656 12.464 -1.702 1.00 63.35 H new ATOM 0 HH12 ARG A 45 -15.318 12.344 -2.289 1.00 63.35 H new ATOM 0 HH21 ARG A 45 -15.095 8.905 -3.036 1.00 0.04 H new ATOM 0 HH22 ARG A 45 -16.129 10.338 -3.041 1.00 0.04 H new ATOM 665 N PRO A 46 -8.577 12.220 -4.760 1.00 3.43 N ATOM 666 CA PRO A 46 -8.044 13.395 -5.456 1.00 35.33 C ATOM 667 C PRO A 46 -8.069 14.646 -4.583 1.00 72.32 C ATOM 668 O PRO A 46 -9.030 14.884 -3.850 1.00 44.23 O ATOM 669 CB PRO A 46 -8.987 13.558 -6.651 1.00 23.25 C ATOM 670 CG PRO A 46 -10.263 12.923 -6.215 1.00 70.10 C ATOM 671 CD PRO A 46 -9.873 11.788 -5.309 1.00 41.44 C ATOM 0 HA PRO A 46 -6.999 13.264 -5.736 1.00 35.33 H new ATOM 0 HB2 PRO A 46 -9.133 14.609 -6.900 1.00 23.25 H new ATOM 0 HB3 PRO A 46 -8.587 13.072 -7.541 1.00 23.25 H new ATOM 0 HG2 PRO A 46 -10.897 13.639 -5.692 1.00 70.10 H new ATOM 0 HG3 PRO A 46 -10.831 12.561 -7.072 1.00 70.10 H new ATOM 0 HD2 PRO A 46 -10.610 11.630 -4.522 1.00 41.44 H new ATOM 0 HD3 PRO A 46 -9.785 10.849 -5.856 1.00 41.44 H new ATOM 679 N ASP A 47 -7.008 15.441 -4.668 1.00 20.31 N ATOM 680 CA ASP A 47 -6.909 16.669 -3.887 1.00 34.33 C ATOM 681 C ASP A 47 -5.680 17.474 -4.295 1.00 21.11 C ATOM 682 O ASP A 47 -4.590 16.935 -4.489 1.00 31.40 O ATOM 683 CB ASP A 47 -6.851 16.345 -2.393 1.00 44.31 C ATOM 684 CG ASP A 47 -7.716 17.275 -1.565 1.00 3.30 C ATOM 685 OD1 ASP A 47 -7.215 18.343 -1.154 1.00 44.53 O ATOM 686 OD2 ASP A 47 -8.894 16.936 -1.329 1.00 52.41 O ATOM 0 H ASP A 47 -6.205 15.257 -5.269 1.00 20.31 H new ATOM 0 HA ASP A 47 -7.796 17.270 -4.085 1.00 34.33 H new ATOM 0 HB2 ASP A 47 -7.174 15.316 -2.235 1.00 44.31 H new ATOM 0 HB3 ASP A 47 -5.819 16.412 -2.050 1.00 44.31 H new ATOM 691 N PRO A 48 -5.856 18.797 -4.429 1.00 74.10 N ATOM 692 CA PRO A 48 -4.771 19.705 -4.815 1.00 73.14 C ATOM 693 C PRO A 48 -3.724 19.857 -3.717 1.00 30.11 C ATOM 694 O PRO A 48 -2.541 20.055 -3.996 1.00 53.11 O ATOM 695 CB PRO A 48 -5.491 21.034 -5.055 1.00 52.24 C ATOM 696 CG PRO A 48 -6.721 20.956 -4.219 1.00 11.45 C ATOM 697 CD PRO A 48 -7.128 19.508 -4.213 1.00 45.55 C ATOM 0 HA PRO A 48 -4.222 19.339 -5.682 1.00 73.14 H new ATOM 0 HB2 PRO A 48 -4.868 21.880 -4.764 1.00 52.24 H new ATOM 0 HB3 PRO A 48 -5.736 21.166 -6.109 1.00 52.24 H new ATOM 0 HG2 PRO A 48 -6.528 21.311 -3.207 1.00 11.45 H new ATOM 0 HG3 PRO A 48 -7.513 21.582 -4.631 1.00 11.45 H new ATOM 0 HD2 PRO A 48 -7.592 19.225 -3.268 1.00 45.55 H new ATOM 0 HD3 PRO A 48 -7.849 19.290 -5.000 1.00 45.55 H new ATOM 705 N LYS A 49 -4.166 19.763 -2.467 1.00 43.12 N ATOM 706 CA LYS A 49 -3.266 19.888 -1.326 1.00 54.23 C ATOM 707 C LYS A 49 -2.037 19.002 -1.503 1.00 61.34 C ATOM 708 O LYS A 49 -0.968 19.297 -0.972 1.00 25.54 O ATOM 709 CB LYS A 49 -3.995 19.516 -0.033 1.00 60.44 C ATOM 710 CG LYS A 49 -3.220 19.868 1.224 1.00 23.51 C ATOM 711 CD LYS A 49 -2.457 18.669 1.763 1.00 73.34 C ATOM 712 CE LYS A 49 -2.825 18.378 3.210 1.00 62.13 C ATOM 713 NZ LYS A 49 -2.620 16.945 3.557 1.00 62.31 N ATOM 0 H LYS A 49 -5.142 19.601 -2.218 1.00 43.12 H new ATOM 0 HA LYS A 49 -2.938 20.926 -1.265 1.00 54.23 H new ATOM 0 HB2 LYS A 49 -4.959 20.024 -0.010 1.00 60.44 H new ATOM 0 HB3 LYS A 49 -4.199 18.445 -0.036 1.00 60.44 H new ATOM 0 HG2 LYS A 49 -2.522 20.677 1.008 1.00 23.51 H new ATOM 0 HG3 LYS A 49 -3.908 20.235 1.986 1.00 23.51 H new ATOM 0 HD2 LYS A 49 -2.671 17.794 1.149 1.00 73.34 H new ATOM 0 HD3 LYS A 49 -1.386 18.855 1.689 1.00 73.34 H new ATOM 0 HE2 LYS A 49 -2.222 19.001 3.870 1.00 62.13 H new ATOM 0 HE3 LYS A 49 -3.867 18.648 3.381 1.00 62.13 H new ATOM 0 HZ1 LYS A 49 -2.882 16.788 4.551 1.00 62.31 H new ATOM 0 HZ2 LYS A 49 -3.214 16.351 2.944 1.00 62.31 H new ATOM 0 HZ3 LYS A 49 -1.620 16.694 3.419 1.00 62.31 H new ATOM 727 N ALA A 50 -2.198 17.918 -2.254 1.00 24.11 N ATOM 728 CA ALA A 50 -1.100 16.992 -2.503 1.00 72.32 C ATOM 729 C ALA A 50 -0.544 17.164 -3.913 1.00 15.54 C ATOM 730 O ALA A 50 0.629 16.896 -4.165 1.00 44.04 O ATOM 731 CB ALA A 50 -1.560 15.557 -2.288 1.00 5.13 C ATOM 0 H ALA A 50 -3.078 17.659 -2.701 1.00 24.11 H new ATOM 0 HA ALA A 50 -0.302 17.217 -1.796 1.00 72.32 H new ATOM 0 HB1 ALA A 50 -0.730 14.877 -2.477 1.00 5.13 H new ATOM 0 HB2 ALA A 50 -1.902 15.435 -1.260 1.00 5.13 H new ATOM 0 HB3 ALA A 50 -2.378 15.331 -2.972 1.00 5.13 H new ATOM 737 N GLY A 51 -1.397 17.616 -4.828 1.00 43.31 N ATOM 738 CA GLY A 51 -0.972 17.816 -6.201 1.00 52.44 C ATOM 739 C GLY A 51 -1.557 16.785 -7.146 1.00 10.33 C ATOM 740 O GLY A 51 -0.899 16.358 -8.095 1.00 70.41 O ATOM 0 H GLY A 51 -2.373 17.847 -4.643 1.00 43.31 H new ATOM 0 HA2 GLY A 51 -1.268 18.813 -6.528 1.00 52.44 H new ATOM 0 HA3 GLY A 51 0.116 17.774 -6.251 1.00 52.44 H new ATOM 744 N PHE A 52 -2.796 16.382 -6.885 1.00 54.23 N ATOM 745 CA PHE A 52 -3.469 15.393 -7.718 1.00 75.31 C ATOM 746 C PHE A 52 -4.983 15.583 -7.674 1.00 23.24 C ATOM 747 O PHE A 52 -5.704 14.871 -6.973 1.00 64.53 O ATOM 748 CB PHE A 52 -3.108 13.979 -7.258 1.00 72.43 C ATOM 749 CG PHE A 52 -1.681 13.604 -7.538 1.00 63.42 C ATOM 750 CD1 PHE A 52 -1.289 13.215 -8.809 1.00 71.40 C ATOM 751 CD2 PHE A 52 -0.731 13.639 -6.530 1.00 52.41 C ATOM 752 CE1 PHE A 52 0.023 12.869 -9.070 1.00 20.41 C ATOM 753 CE2 PHE A 52 0.583 13.295 -6.785 1.00 42.00 C ATOM 754 CZ PHE A 52 0.961 12.909 -8.057 1.00 34.04 C ATOM 0 H PHE A 52 -3.354 16.725 -6.103 1.00 54.23 H new ATOM 0 HA PHE A 52 -3.133 15.531 -8.746 1.00 75.31 H new ATOM 0 HB2 PHE A 52 -3.294 13.895 -6.187 1.00 72.43 H new ATOM 0 HB3 PHE A 52 -3.767 13.265 -7.753 1.00 72.43 H new ATOM 0 HD1 PHE A 52 -2.018 13.182 -9.605 1.00 71.40 H new ATOM 0 HD2 PHE A 52 -1.021 13.939 -5.534 1.00 52.41 H new ATOM 0 HE1 PHE A 52 0.315 12.568 -10.065 1.00 20.41 H new ATOM 0 HE2 PHE A 52 1.314 13.328 -5.991 1.00 42.00 H new ATOM 0 HZ PHE A 52 1.987 12.639 -8.258 1.00 34.04 H new ATOM 764 N PRO A 53 -5.477 16.567 -8.439 1.00 32.32 N ATOM 765 CA PRO A 53 -6.910 16.875 -8.505 1.00 64.22 C ATOM 766 C PRO A 53 -7.704 15.787 -9.219 1.00 62.34 C ATOM 767 O PRO A 53 -8.924 15.880 -9.350 1.00 61.53 O ATOM 768 CB PRO A 53 -6.954 18.180 -9.301 1.00 54.34 C ATOM 769 CG PRO A 53 -5.713 18.166 -10.125 1.00 12.02 C ATOM 770 CD PRO A 53 -4.678 17.455 -9.299 1.00 63.32 C ATOM 0 HA PRO A 53 -7.358 16.949 -7.514 1.00 64.22 H new ATOM 0 HB2 PRO A 53 -7.844 18.231 -9.928 1.00 54.34 H new ATOM 0 HB3 PRO A 53 -6.980 19.046 -8.640 1.00 54.34 H new ATOM 0 HG2 PRO A 53 -5.878 17.651 -11.071 1.00 12.02 H new ATOM 0 HG3 PRO A 53 -5.392 19.180 -10.365 1.00 12.02 H new ATOM 0 HD2 PRO A 53 -3.984 16.892 -9.923 1.00 63.32 H new ATOM 0 HD3 PRO A 53 -4.083 18.154 -8.712 1.00 63.32 H new ATOM 778 N LYS A 54 -7.004 14.755 -9.679 1.00 63.14 N ATOM 779 CA LYS A 54 -7.643 13.648 -10.379 1.00 72.04 C ATOM 780 C LYS A 54 -7.599 12.375 -9.540 1.00 61.23 C ATOM 781 O LYS A 54 -8.584 11.644 -9.451 1.00 22.11 O ATOM 782 CB LYS A 54 -6.959 13.406 -11.727 1.00 55.41 C ATOM 783 CG LYS A 54 -7.641 12.345 -12.574 1.00 41.14 C ATOM 784 CD LYS A 54 -9.154 12.445 -12.481 1.00 53.21 C ATOM 785 CE LYS A 54 -9.836 11.622 -13.564 1.00 63.10 C ATOM 786 NZ LYS A 54 -10.229 12.458 -14.731 1.00 65.13 N ATOM 0 H LYS A 54 -5.993 14.663 -9.579 1.00 63.14 H new ATOM 0 HA LYS A 54 -8.686 13.914 -10.550 1.00 72.04 H new ATOM 0 HB2 LYS A 54 -6.932 14.342 -12.285 1.00 55.41 H new ATOM 0 HB3 LYS A 54 -5.925 13.110 -11.552 1.00 55.41 H new ATOM 0 HG2 LYS A 54 -7.332 12.454 -13.613 1.00 41.14 H new ATOM 0 HG3 LYS A 54 -7.320 11.356 -12.248 1.00 41.14 H new ATOM 0 HD2 LYS A 54 -9.483 12.101 -11.500 1.00 53.21 H new ATOM 0 HD3 LYS A 54 -9.457 13.488 -12.571 1.00 53.21 H new ATOM 0 HE2 LYS A 54 -9.165 10.830 -13.895 1.00 63.10 H new ATOM 0 HE3 LYS A 54 -10.720 11.138 -13.150 1.00 63.10 H new ATOM 0 HZ1 LYS A 54 -10.690 11.861 -15.446 1.00 65.13 H new ATOM 0 HZ2 LYS A 54 -10.890 13.199 -14.421 1.00 65.13 H new ATOM 0 HZ3 LYS A 54 -9.382 12.900 -15.143 1.00 65.13 H new ATOM 800 N GLY A 55 -6.449 12.117 -8.924 1.00 43.34 N ATOM 801 CA GLY A 55 -6.298 10.933 -8.098 1.00 53.15 C ATOM 802 C GLY A 55 -5.062 10.131 -8.455 1.00 14.34 C ATOM 803 O GLY A 55 -4.407 10.401 -9.461 1.00 41.40 O ATOM 0 H GLY A 55 -5.619 12.707 -8.982 1.00 43.34 H new ATOM 0 HA2 GLY A 55 -6.245 11.229 -7.050 1.00 53.15 H new ATOM 0 HA3 GLY A 55 -7.180 10.303 -8.207 1.00 53.15 H new ATOM 807 N VAL A 56 -4.741 9.143 -7.627 1.00 20.43 N ATOM 808 CA VAL A 56 -3.574 8.300 -7.859 1.00 34.31 C ATOM 809 C VAL A 56 -3.711 6.963 -7.138 1.00 73.53 C ATOM 810 O VAL A 56 -4.095 6.911 -5.970 1.00 44.24 O ATOM 811 CB VAL A 56 -2.280 8.991 -7.392 1.00 41.14 C ATOM 812 CG1 VAL A 56 -2.379 9.377 -5.924 1.00 33.51 C ATOM 813 CG2 VAL A 56 -1.078 8.091 -7.635 1.00 42.23 C ATOM 0 H VAL A 56 -5.272 8.906 -6.789 1.00 20.43 H new ATOM 0 HA VAL A 56 -3.517 8.127 -8.934 1.00 34.31 H new ATOM 0 HB VAL A 56 -2.146 9.903 -7.974 1.00 41.14 H new ATOM 0 HG11 VAL A 56 -1.455 9.864 -5.613 1.00 33.51 H new ATOM 0 HG12 VAL A 56 -3.215 10.062 -5.783 1.00 33.51 H new ATOM 0 HG13 VAL A 56 -2.538 8.482 -5.322 1.00 33.51 H new ATOM 0 HG21 VAL A 56 -0.172 8.595 -7.299 1.00 42.23 H new ATOM 0 HG22 VAL A 56 -1.202 7.161 -7.081 1.00 42.23 H new ATOM 0 HG23 VAL A 56 -0.997 7.871 -8.700 1.00 42.23 H new ATOM 823 N ALA A 57 -3.394 5.881 -7.844 1.00 42.51 N ATOM 824 CA ALA A 57 -3.480 4.544 -7.272 1.00 30.44 C ATOM 825 C ALA A 57 -2.224 3.734 -7.579 1.00 0.53 C ATOM 826 O ALA A 57 -1.857 3.556 -8.740 1.00 53.10 O ATOM 827 CB ALA A 57 -4.714 3.824 -7.793 1.00 11.24 C ATOM 0 H ALA A 57 -3.076 5.906 -8.813 1.00 42.51 H new ATOM 0 HA ALA A 57 -3.562 4.644 -6.190 1.00 30.44 H new ATOM 0 HB1 ALA A 57 -4.765 2.826 -7.357 1.00 11.24 H new ATOM 0 HB2 ALA A 57 -5.606 4.386 -7.518 1.00 11.24 H new ATOM 0 HB3 ALA A 57 -4.657 3.743 -8.878 1.00 11.24 H new ATOM 833 N VAL A 58 -1.568 3.247 -6.530 1.00 41.45 N ATOM 834 CA VAL A 58 -0.354 2.457 -6.688 1.00 63.43 C ATOM 835 C VAL A 58 -0.663 0.964 -6.672 1.00 50.24 C ATOM 836 O VAL A 58 -1.293 0.460 -5.743 1.00 3.33 O ATOM 837 CB VAL A 58 0.668 2.770 -5.578 1.00 45.12 C ATOM 838 CG1 VAL A 58 1.832 1.792 -5.634 1.00 14.25 C ATOM 839 CG2 VAL A 58 1.160 4.204 -5.697 1.00 42.14 C ATOM 0 H VAL A 58 -1.858 3.386 -5.562 1.00 41.45 H new ATOM 0 HA VAL A 58 0.075 2.726 -7.653 1.00 63.43 H new ATOM 0 HB VAL A 58 0.176 2.658 -4.612 1.00 45.12 H new ATOM 0 HG11 VAL A 58 2.544 2.028 -4.843 1.00 14.25 H new ATOM 0 HG12 VAL A 58 1.461 0.776 -5.497 1.00 14.25 H new ATOM 0 HG13 VAL A 58 2.326 1.870 -6.602 1.00 14.25 H new ATOM 0 HG21 VAL A 58 1.881 4.408 -4.905 1.00 42.14 H new ATOM 0 HG22 VAL A 58 1.636 4.346 -6.667 1.00 42.14 H new ATOM 0 HG23 VAL A 58 0.316 4.887 -5.604 1.00 42.14 H new ATOM 849 N VAL A 59 -0.216 0.262 -7.708 1.00 62.10 N ATOM 850 CA VAL A 59 -0.444 -1.175 -7.813 1.00 2.33 C ATOM 851 C VAL A 59 0.674 -1.960 -7.137 1.00 41.11 C ATOM 852 O VAL A 59 1.774 -1.443 -6.929 1.00 74.04 O ATOM 853 CB VAL A 59 -0.552 -1.620 -9.283 1.00 41.51 C ATOM 854 CG1 VAL A 59 -1.060 -3.051 -9.373 1.00 3.32 C ATOM 855 CG2 VAL A 59 -1.457 -0.676 -10.060 1.00 44.35 C ATOM 0 H VAL A 59 0.306 0.664 -8.487 1.00 62.10 H new ATOM 0 HA VAL A 59 -1.387 -1.383 -7.308 1.00 2.33 H new ATOM 0 HB VAL A 59 0.442 -1.584 -9.728 1.00 41.51 H new ATOM 0 HG11 VAL A 59 -1.130 -3.347 -10.420 1.00 3.32 H new ATOM 0 HG12 VAL A 59 -0.370 -3.715 -8.853 1.00 3.32 H new ATOM 0 HG13 VAL A 59 -2.045 -3.117 -8.911 1.00 3.32 H new ATOM 0 HG21 VAL A 59 -1.522 -1.005 -11.097 1.00 44.35 H new ATOM 0 HG22 VAL A 59 -2.452 -0.678 -9.616 1.00 44.35 H new ATOM 0 HG23 VAL A 59 -1.046 0.333 -10.025 1.00 44.35 H new ATOM 865 N LEU A 60 0.388 -3.211 -6.795 1.00 3.03 N ATOM 866 CA LEU A 60 1.371 -4.069 -6.142 1.00 35.31 C ATOM 867 C LEU A 60 1.075 -5.540 -6.413 1.00 72.31 C ATOM 868 O LEU A 60 0.500 -6.234 -5.574 1.00 12.33 O ATOM 869 CB LEU A 60 1.382 -3.809 -4.634 1.00 24.02 C ATOM 870 CG LEU A 60 1.758 -2.392 -4.201 1.00 13.34 C ATOM 871 CD1 LEU A 60 1.420 -2.175 -2.733 1.00 73.20 C ATOM 872 CD2 LEU A 60 3.235 -2.131 -4.453 1.00 11.12 C ATOM 0 H LEU A 60 -0.516 -3.654 -6.959 1.00 3.03 H new ATOM 0 HA LEU A 60 2.353 -3.833 -6.553 1.00 35.31 H new ATOM 0 HB2 LEU A 60 0.392 -4.038 -4.239 1.00 24.02 H new ATOM 0 HB3 LEU A 60 2.080 -4.506 -4.170 1.00 24.02 H new ATOM 0 HG LEU A 60 1.178 -1.686 -4.795 1.00 13.34 H new ATOM 0 HD11 LEU A 60 1.695 -1.161 -2.442 1.00 73.20 H new ATOM 0 HD12 LEU A 60 0.350 -2.319 -2.581 1.00 73.20 H new ATOM 0 HD13 LEU A 60 1.973 -2.889 -2.123 1.00 73.20 H new ATOM 0 HD21 LEU A 60 3.484 -1.117 -4.139 1.00 11.12 H new ATOM 0 HD22 LEU A 60 3.833 -2.844 -3.885 1.00 11.12 H new ATOM 0 HD23 LEU A 60 3.448 -2.244 -5.516 1.00 11.12 H new ATOM 884 N ASP A 61 1.472 -6.011 -7.590 1.00 62.40 N ATOM 885 CA ASP A 61 1.253 -7.402 -7.972 1.00 12.13 C ATOM 886 C ASP A 61 2.041 -8.344 -7.068 1.00 2.15 C ATOM 887 O ASP A 61 3.266 -8.436 -7.166 1.00 52.10 O ATOM 888 CB ASP A 61 1.652 -7.621 -9.432 1.00 31.33 C ATOM 889 CG ASP A 61 1.763 -9.091 -9.787 1.00 31.22 C ATOM 890 OD1 ASP A 61 1.256 -9.928 -9.011 1.00 34.42 O ATOM 891 OD2 ASP A 61 2.356 -9.404 -10.840 1.00 30.23 O ATOM 0 H ASP A 61 1.947 -5.450 -8.297 1.00 62.40 H new ATOM 0 HA ASP A 61 0.192 -7.622 -7.858 1.00 12.13 H new ATOM 0 HB2 ASP A 61 0.916 -7.148 -10.082 1.00 31.33 H new ATOM 0 HB3 ASP A 61 2.607 -7.131 -9.622 1.00 31.33 H new ATOM 896 N LEU A 62 1.332 -9.042 -6.188 1.00 3.03 N ATOM 897 CA LEU A 62 1.966 -9.977 -5.264 1.00 41.14 C ATOM 898 C LEU A 62 1.689 -11.420 -5.676 1.00 22.23 C ATOM 899 O LEU A 62 0.769 -11.690 -6.448 1.00 3.35 O ATOM 900 CB LEU A 62 1.465 -9.737 -3.840 1.00 4.25 C ATOM 901 CG LEU A 62 1.235 -8.277 -3.447 1.00 2.32 C ATOM 902 CD1 LEU A 62 0.745 -8.182 -2.010 1.00 5.14 C ATOM 903 CD2 LEU A 62 2.510 -7.467 -3.633 1.00 14.42 C ATOM 0 H LEU A 62 0.318 -8.979 -6.094 1.00 3.03 H new ATOM 0 HA LEU A 62 3.042 -9.808 -5.297 1.00 41.14 H new ATOM 0 HB2 LEU A 62 0.529 -10.279 -3.709 1.00 4.25 H new ATOM 0 HB3 LEU A 62 2.184 -10.171 -3.145 1.00 4.25 H new ATOM 0 HG LEU A 62 0.467 -7.862 -4.099 1.00 2.32 H new ATOM 0 HD11 LEU A 62 0.587 -7.136 -1.748 1.00 5.14 H new ATOM 0 HD12 LEU A 62 -0.193 -8.727 -1.909 1.00 5.14 H new ATOM 0 HD13 LEU A 62 1.490 -8.615 -1.342 1.00 5.14 H new ATOM 0 HD21 LEU A 62 2.327 -6.431 -3.349 1.00 14.42 H new ATOM 0 HD22 LEU A 62 3.299 -7.882 -3.006 1.00 14.42 H new ATOM 0 HD23 LEU A 62 2.818 -7.508 -4.678 1.00 14.42 H new ATOM 915 N TRP A 63 2.490 -12.342 -5.154 1.00 71.21 N ATOM 916 CA TRP A 63 2.330 -13.758 -5.466 1.00 5.24 C ATOM 917 C TRP A 63 2.973 -14.628 -4.392 1.00 5.34 C ATOM 918 O TRP A 63 4.180 -14.549 -4.155 1.00 40.25 O ATOM 919 CB TRP A 63 2.944 -14.073 -6.831 1.00 32.44 C ATOM 920 CG TRP A 63 2.007 -13.829 -7.975 1.00 11.11 C ATOM 921 CD1 TRP A 63 2.240 -13.052 -9.074 1.00 23.32 C ATOM 922 CD2 TRP A 63 0.688 -14.362 -8.130 1.00 55.11 C ATOM 923 NE1 TRP A 63 1.145 -13.070 -9.903 1.00 72.11 N ATOM 924 CE2 TRP A 63 0.179 -13.867 -9.348 1.00 64.12 C ATOM 925 CE3 TRP A 63 -0.114 -15.210 -7.362 1.00 20.31 C ATOM 926 CZ2 TRP A 63 -1.093 -14.193 -9.810 1.00 74.21 C ATOM 927 CZ3 TRP A 63 -1.376 -15.533 -7.822 1.00 52.43 C ATOM 928 CH2 TRP A 63 -1.856 -15.025 -9.038 1.00 21.25 C ATOM 0 H TRP A 63 3.256 -12.135 -4.513 1.00 71.21 H new ATOM 0 HA TRP A 63 1.263 -13.980 -5.496 1.00 5.24 H new ATOM 0 HB2 TRP A 63 3.839 -13.466 -6.968 1.00 32.44 H new ATOM 0 HB3 TRP A 63 3.261 -15.116 -6.847 1.00 32.44 H new ATOM 0 HD1 TRP A 63 3.151 -12.504 -9.263 1.00 23.32 H new ATOM 0 HE1 TRP A 63 1.064 -12.571 -10.789 1.00 72.11 H new ATOM 0 HE3 TRP A 63 0.247 -15.606 -6.424 1.00 20.31 H new ATOM 0 HZ2 TRP A 63 -1.465 -13.802 -10.746 1.00 74.21 H new ATOM 0 HZ3 TRP A 63 -2.003 -16.188 -7.235 1.00 52.43 H new ATOM 0 HH2 TRP A 63 -2.847 -15.296 -9.371 1.00 21.25 H new ATOM 939 N HIS A 64 2.162 -15.458 -3.744 1.00 64.11 N ATOM 940 CA HIS A 64 2.654 -16.344 -2.695 1.00 15.22 C ATOM 941 C HIS A 64 3.394 -15.554 -1.619 1.00 41.13 C ATOM 942 O HIS A 64 4.141 -16.120 -0.823 1.00 52.10 O ATOM 943 CB HIS A 64 3.577 -17.409 -3.288 1.00 53.43 C ATOM 944 CG HIS A 64 2.848 -18.494 -4.017 1.00 71.12 C ATOM 945 ND1 HIS A 64 3.177 -19.829 -3.904 1.00 13.44 N ATOM 946 CD2 HIS A 64 1.799 -18.439 -4.870 1.00 53.45 C ATOM 947 CE1 HIS A 64 2.363 -20.546 -4.658 1.00 32.00 C ATOM 948 NE2 HIS A 64 1.517 -19.726 -5.256 1.00 21.35 N ATOM 0 H HIS A 64 1.162 -15.536 -3.927 1.00 64.11 H new ATOM 0 HA HIS A 64 1.795 -16.834 -2.236 1.00 15.22 H new ATOM 0 HB2 HIS A 64 4.278 -16.931 -3.972 1.00 53.43 H new ATOM 0 HB3 HIS A 64 4.167 -17.854 -2.487 1.00 53.43 H new ATOM 0 HD2 HIS A 64 1.279 -17.547 -5.188 1.00 53.45 H new ATOM 0 HE1 HIS A 64 2.385 -21.620 -4.767 1.00 32.00 H new ATOM 0 HE2 HIS A 64 0.776 -20.004 -5.899 1.00 21.35 H new ATOM 957 N GLY A 65 3.181 -14.241 -1.603 1.00 63.34 N ATOM 958 CA GLY A 65 3.836 -13.396 -0.622 1.00 41.14 C ATOM 959 C GLY A 65 4.962 -12.577 -1.223 1.00 33.15 C ATOM 960 O GLY A 65 5.316 -11.520 -0.701 1.00 14.42 O ATOM 0 H GLY A 65 2.567 -13.748 -2.252 1.00 63.34 H new ATOM 0 HA2 GLY A 65 3.101 -12.726 -0.176 1.00 41.14 H new ATOM 0 HA3 GLY A 65 4.231 -14.017 0.182 1.00 41.14 H new ATOM 964 N ALA A 66 5.527 -13.067 -2.320 1.00 64.15 N ATOM 965 CA ALA A 66 6.621 -12.373 -2.991 1.00 74.53 C ATOM 966 C ALA A 66 6.090 -11.378 -4.018 1.00 43.23 C ATOM 967 O ALA A 66 5.092 -11.637 -4.691 1.00 73.33 O ATOM 968 CB ALA A 66 7.551 -13.376 -3.658 1.00 30.42 C ATOM 0 H ALA A 66 5.246 -13.941 -2.764 1.00 64.15 H new ATOM 0 HA ALA A 66 7.182 -11.817 -2.240 1.00 74.53 H new ATOM 0 HB1 ALA A 66 8.363 -12.845 -4.155 1.00 30.42 H new ATOM 0 HB2 ALA A 66 7.964 -14.046 -2.904 1.00 30.42 H new ATOM 0 HB3 ALA A 66 6.993 -13.956 -4.393 1.00 30.42 H new ATOM 974 N CYS A 67 6.764 -10.238 -4.133 1.00 23.41 N ATOM 975 CA CYS A 67 6.361 -9.203 -5.076 1.00 20.34 C ATOM 976 C CYS A 67 6.778 -9.569 -6.497 1.00 44.21 C ATOM 977 O CYS A 67 7.854 -10.128 -6.715 1.00 32.20 O ATOM 978 CB CYS A 67 6.975 -7.858 -4.683 1.00 62.40 C ATOM 979 SG CYS A 67 5.922 -6.421 -5.060 1.00 14.32 S ATOM 0 H CYS A 67 7.592 -10.008 -3.584 1.00 23.41 H new ATOM 0 HA CYS A 67 5.274 -9.122 -5.045 1.00 20.34 H new ATOM 0 HB2 CYS A 67 7.190 -7.867 -3.614 1.00 62.40 H new ATOM 0 HB3 CYS A 67 7.928 -7.742 -5.199 1.00 62.40 H new ATOM 984 N ARG A 68 5.920 -9.250 -7.461 1.00 45.22 N ATOM 985 CA ARG A 68 6.200 -9.546 -8.861 1.00 13.14 C ATOM 986 C ARG A 68 6.402 -8.260 -9.658 1.00 75.33 C ATOM 987 O ARG A 68 7.415 -8.091 -10.336 1.00 71.54 O ATOM 988 CB ARG A 68 5.058 -10.362 -9.470 1.00 21.24 C ATOM 989 CG ARG A 68 5.213 -10.608 -10.961 1.00 75.20 C ATOM 990 CD ARG A 68 4.858 -12.041 -11.330 1.00 45.41 C ATOM 991 NE ARG A 68 5.621 -13.010 -10.548 1.00 32.01 N ATOM 992 CZ ARG A 68 5.695 -14.302 -10.850 1.00 74.34 C ATOM 993 NH1 ARG A 68 5.056 -14.776 -11.911 1.00 4.00 N ATOM 994 NH2 ARG A 68 6.410 -15.123 -10.090 1.00 55.33 N ATOM 0 H ARG A 68 5.026 -8.787 -7.298 1.00 45.22 H new ATOM 0 HA ARG A 68 7.119 -10.130 -8.907 1.00 13.14 H new ATOM 0 HB2 ARG A 68 4.995 -11.322 -8.957 1.00 21.24 H new ATOM 0 HB3 ARG A 68 4.116 -9.842 -9.292 1.00 21.24 H new ATOM 0 HG2 ARG A 68 4.573 -9.920 -11.513 1.00 75.20 H new ATOM 0 HG3 ARG A 68 6.240 -10.398 -11.261 1.00 75.20 H new ATOM 0 HD2 ARG A 68 3.792 -12.204 -11.170 1.00 45.41 H new ATOM 0 HD3 ARG A 68 5.049 -12.200 -12.391 1.00 45.41 H new ATOM 0 HE ARG A 68 6.124 -12.677 -9.726 1.00 32.01 H new ATOM 0 HH11 ARG A 68 4.506 -14.148 -12.498 1.00 4.00 H new ATOM 0 HH12 ARG A 68 5.115 -15.768 -12.140 1.00 4.00 H new ATOM 0 HH21 ARG A 68 6.903 -14.762 -9.273 1.00 55.33 H new ATOM 0 HH22 ARG A 68 6.466 -16.114 -10.323 1.00 55.33 H new ATOM 1008 N GLY A 69 5.429 -7.358 -9.573 1.00 71.12 N ATOM 1009 CA GLY A 69 5.519 -6.101 -10.292 1.00 51.11 C ATOM 1010 C GLY A 69 4.751 -4.986 -9.609 1.00 53.02 C ATOM 1011 O GLY A 69 3.940 -5.238 -8.718 1.00 53.02 O ATOM 0 H GLY A 69 4.580 -7.475 -9.019 1.00 71.12 H new ATOM 0 HA2 GLY A 69 6.566 -5.813 -10.384 1.00 51.11 H new ATOM 0 HA3 GLY A 69 5.135 -6.236 -11.303 1.00 51.11 H new ATOM 1015 N ALA A 70 5.007 -3.751 -10.026 1.00 42.24 N ATOM 1016 CA ALA A 70 4.334 -2.594 -9.449 1.00 15.05 C ATOM 1017 C ALA A 70 4.320 -1.423 -10.425 1.00 32.41 C ATOM 1018 O ALA A 70 5.247 -1.251 -11.218 1.00 52.50 O ATOM 1019 CB ALA A 70 5.005 -2.189 -8.145 1.00 22.35 C ATOM 0 H ALA A 70 5.676 -3.526 -10.762 1.00 42.24 H new ATOM 0 HA ALA A 70 3.301 -2.872 -9.242 1.00 15.05 H new ATOM 0 HB1 ALA A 70 4.492 -1.324 -7.725 1.00 22.35 H new ATOM 0 HB2 ALA A 70 4.957 -3.017 -7.438 1.00 22.35 H new ATOM 0 HB3 ALA A 70 6.048 -1.935 -8.336 1.00 22.35 H new ATOM 1025 N LYS A 71 3.263 -0.620 -10.364 1.00 12.24 N ATOM 1026 CA LYS A 71 3.128 0.536 -11.242 1.00 25.21 C ATOM 1027 C LYS A 71 2.139 1.544 -10.666 1.00 1.10 C ATOM 1028 O LYS A 71 1.157 1.169 -10.026 1.00 65.43 O ATOM 1029 CB LYS A 71 2.671 0.095 -12.634 1.00 20.34 C ATOM 1030 CG LYS A 71 1.295 -0.549 -12.646 1.00 41.42 C ATOM 1031 CD LYS A 71 0.764 -0.702 -14.062 1.00 70.11 C ATOM 1032 CE LYS A 71 -0.688 -1.157 -14.066 1.00 12.40 C ATOM 1033 NZ LYS A 71 -1.053 -1.835 -15.340 1.00 61.43 N ATOM 0 H LYS A 71 2.487 -0.749 -9.715 1.00 12.24 H new ATOM 0 HA LYS A 71 4.103 1.016 -11.322 1.00 25.21 H new ATOM 0 HB2 LYS A 71 2.664 0.961 -13.296 1.00 20.34 H new ATOM 0 HB3 LYS A 71 3.397 -0.610 -13.039 1.00 20.34 H new ATOM 0 HG2 LYS A 71 1.346 -1.527 -12.168 1.00 41.42 H new ATOM 0 HG3 LYS A 71 0.603 0.057 -12.060 1.00 41.42 H new ATOM 0 HD2 LYS A 71 0.850 0.248 -14.589 1.00 70.11 H new ATOM 0 HD3 LYS A 71 1.374 -1.424 -14.605 1.00 70.11 H new ATOM 0 HE2 LYS A 71 -0.858 -1.837 -13.231 1.00 12.40 H new ATOM 0 HE3 LYS A 71 -1.339 -0.296 -13.913 1.00 12.40 H new ATOM 0 HZ1 LYS A 71 -2.050 -2.130 -15.303 1.00 61.43 H new ATOM 0 HZ2 LYS A 71 -0.915 -1.178 -16.135 1.00 61.43 H new ATOM 0 HZ3 LYS A 71 -0.449 -2.671 -15.474 1.00 61.43 H new ATOM 1047 N ALA A 72 2.403 2.826 -10.900 1.00 60.40 N ATOM 1048 CA ALA A 72 1.534 3.887 -10.407 1.00 42.00 C ATOM 1049 C ALA A 72 0.416 4.186 -11.400 1.00 45.33 C ATOM 1050 O ALA A 72 0.592 4.041 -12.610 1.00 14.41 O ATOM 1051 CB ALA A 72 2.343 5.144 -10.126 1.00 3.24 C ATOM 0 H ALA A 72 3.212 3.154 -11.428 1.00 60.40 H new ATOM 0 HA ALA A 72 1.078 3.547 -9.477 1.00 42.00 H new ATOM 0 HB1 ALA A 72 1.681 5.928 -9.758 1.00 3.24 H new ATOM 0 HB2 ALA A 72 3.102 4.928 -9.374 1.00 3.24 H new ATOM 0 HB3 ALA A 72 2.827 5.478 -11.044 1.00 3.24 H new ATOM 1057 N VAL A 73 -0.734 4.604 -10.881 1.00 61.35 N ATOM 1058 CA VAL A 73 -1.881 4.925 -11.723 1.00 23.21 C ATOM 1059 C VAL A 73 -2.358 6.352 -11.481 1.00 51.44 C ATOM 1060 O VAL A 73 -2.080 6.941 -10.437 1.00 63.54 O ATOM 1061 CB VAL A 73 -3.050 3.954 -11.471 1.00 41.14 C ATOM 1062 CG1 VAL A 73 -4.278 4.381 -12.262 1.00 52.24 C ATOM 1063 CG2 VAL A 73 -2.646 2.531 -11.824 1.00 53.25 C ATOM 0 H VAL A 73 -0.896 4.728 -9.882 1.00 61.35 H new ATOM 0 HA VAL A 73 -1.553 4.826 -12.758 1.00 23.21 H new ATOM 0 HB VAL A 73 -3.302 3.983 -10.411 1.00 41.14 H new ATOM 0 HG11 VAL A 73 -5.094 3.684 -12.072 1.00 52.24 H new ATOM 0 HG12 VAL A 73 -4.578 5.383 -11.955 1.00 52.24 H new ATOM 0 HG13 VAL A 73 -4.043 4.383 -13.326 1.00 52.24 H new ATOM 0 HG21 VAL A 73 -3.484 1.859 -11.640 1.00 53.25 H new ATOM 0 HG22 VAL A 73 -2.366 2.483 -12.876 1.00 53.25 H new ATOM 0 HG23 VAL A 73 -1.798 2.230 -11.209 1.00 53.25 H new ATOM 1073 N GLU A 74 -3.077 6.902 -12.454 1.00 41.23 N ATOM 1074 CA GLU A 74 -3.593 8.262 -12.346 1.00 34.11 C ATOM 1075 C GLU A 74 -5.116 8.259 -12.243 1.00 41.11 C ATOM 1076 O GLU A 74 -5.812 7.896 -13.189 1.00 61.00 O ATOM 1077 CB GLU A 74 -3.154 9.095 -13.553 1.00 23.33 C ATOM 1078 CG GLU A 74 -1.776 9.715 -13.395 1.00 14.44 C ATOM 1079 CD GLU A 74 -1.608 10.978 -14.217 1.00 12.41 C ATOM 1080 OE1 GLU A 74 -2.212 11.061 -15.307 1.00 13.32 O ATOM 1081 OE2 GLU A 74 -0.873 11.884 -13.771 1.00 40.24 O ATOM 0 H GLU A 74 -3.315 6.428 -13.325 1.00 41.23 H new ATOM 0 HA GLU A 74 -3.185 8.707 -11.439 1.00 34.11 H new ATOM 0 HB2 GLU A 74 -3.159 8.463 -14.441 1.00 23.33 H new ATOM 0 HB3 GLU A 74 -3.883 9.888 -13.721 1.00 23.33 H new ATOM 0 HG2 GLU A 74 -1.603 9.944 -12.344 1.00 14.44 H new ATOM 0 HG3 GLU A 74 -1.019 8.989 -13.692 1.00 14.44 H new ATOM 1120 N GLU A 78 -7.109 -0.866 -10.917 1.00 23.40 N ATOM 1121 CA GLU A 78 -7.698 -2.128 -11.350 1.00 72.42 C ATOM 1122 C GLU A 78 -6.876 -3.313 -10.851 1.00 45.52 C ATOM 1123 O GLU A 78 -5.897 -3.712 -11.482 1.00 54.32 O ATOM 1124 CB GLU A 78 -7.801 -2.171 -12.875 1.00 54.25 C ATOM 1125 CG GLU A 78 -8.405 -3.460 -13.409 1.00 53.43 C ATOM 1126 CD GLU A 78 -8.035 -3.722 -14.856 1.00 73.21 C ATOM 1127 OE1 GLU A 78 -7.833 -2.742 -15.604 1.00 11.14 O ATOM 1128 OE2 GLU A 78 -7.949 -4.907 -15.241 1.00 62.10 O ATOM 0 HA GLU A 78 -8.698 -2.197 -10.923 1.00 72.42 H new ATOM 0 HB2 GLU A 78 -8.405 -1.329 -13.214 1.00 54.25 H new ATOM 0 HB3 GLU A 78 -6.806 -2.042 -13.302 1.00 54.25 H new ATOM 0 HG2 GLU A 78 -8.069 -4.296 -12.795 1.00 53.43 H new ATOM 0 HG3 GLU A 78 -9.490 -3.413 -13.318 1.00 53.43 H new ATOM 1135 N ALA A 79 -7.280 -3.870 -9.715 1.00 64.21 N ATOM 1136 CA ALA A 79 -6.583 -5.010 -9.132 1.00 5.24 C ATOM 1137 C ALA A 79 -7.516 -5.835 -8.254 1.00 34.34 C ATOM 1138 O ALA A 79 -8.513 -5.325 -7.741 1.00 23.21 O ATOM 1139 CB ALA A 79 -5.380 -4.537 -8.328 1.00 30.32 C ATOM 0 H ALA A 79 -8.087 -3.550 -9.179 1.00 64.21 H new ATOM 0 HA ALA A 79 -6.236 -5.647 -9.946 1.00 5.24 H new ATOM 0 HB1 ALA A 79 -4.868 -5.398 -7.898 1.00 30.32 H new ATOM 0 HB2 ALA A 79 -4.695 -3.997 -8.982 1.00 30.32 H new ATOM 0 HB3 ALA A 79 -5.714 -3.877 -7.528 1.00 30.32 H new ATOM 1145 N ASP A 80 -7.189 -7.111 -8.086 1.00 72.11 N ATOM 1146 CA ASP A 80 -7.999 -8.008 -7.270 1.00 15.35 C ATOM 1147 C ASP A 80 -8.520 -7.290 -6.028 1.00 61.35 C ATOM 1148 O ASP A 80 -9.703 -7.379 -5.699 1.00 14.15 O ATOM 1149 CB ASP A 80 -7.185 -9.236 -6.860 1.00 43.53 C ATOM 1150 CG ASP A 80 -7.031 -10.232 -7.991 1.00 60.50 C ATOM 1151 OD1 ASP A 80 -6.590 -9.825 -9.086 1.00 53.24 O ATOM 1152 OD2 ASP A 80 -7.350 -11.421 -7.781 1.00 55.23 O ATOM 0 H ASP A 80 -6.368 -7.548 -8.504 1.00 72.11 H new ATOM 0 HA ASP A 80 -8.852 -8.331 -7.867 1.00 15.35 H new ATOM 0 HB2 ASP A 80 -6.198 -8.918 -6.523 1.00 43.53 H new ATOM 0 HB3 ASP A 80 -7.669 -9.723 -6.014 1.00 43.53 H new ATOM 1157 N PHE A 81 -7.630 -6.580 -5.344 1.00 42.01 N ATOM 1158 CA PHE A 81 -7.999 -5.849 -4.138 1.00 2.10 C ATOM 1159 C PHE A 81 -7.703 -4.360 -4.292 1.00 11.30 C ATOM 1160 O PHE A 81 -6.548 -3.955 -4.418 1.00 42.43 O ATOM 1161 CB PHE A 81 -7.247 -6.407 -2.928 1.00 1.31 C ATOM 1162 CG PHE A 81 -7.605 -7.828 -2.602 1.00 35.22 C ATOM 1163 CD1 PHE A 81 -8.864 -8.146 -2.118 1.00 20.44 C ATOM 1164 CD2 PHE A 81 -6.684 -8.848 -2.781 1.00 1.20 C ATOM 1165 CE1 PHE A 81 -9.196 -9.453 -1.817 1.00 22.01 C ATOM 1166 CE2 PHE A 81 -7.010 -10.156 -2.482 1.00 72.53 C ATOM 1167 CZ PHE A 81 -8.268 -10.460 -2.001 1.00 33.44 C ATOM 0 H PHE A 81 -6.647 -6.495 -5.604 1.00 42.01 H new ATOM 0 HA PHE A 81 -9.070 -5.974 -3.981 1.00 2.10 H new ATOM 0 HB2 PHE A 81 -6.175 -6.345 -3.116 1.00 1.31 H new ATOM 0 HB3 PHE A 81 -7.455 -5.780 -2.061 1.00 1.31 H new ATOM 0 HD1 PHE A 81 -9.594 -7.363 -1.974 1.00 20.44 H new ATOM 0 HD2 PHE A 81 -5.699 -8.617 -3.159 1.00 1.20 H new ATOM 0 HE1 PHE A 81 -10.180 -9.687 -1.438 1.00 22.01 H new ATOM 0 HE2 PHE A 81 -6.282 -10.941 -2.624 1.00 72.53 H new ATOM 0 HZ PHE A 81 -8.526 -11.483 -1.769 1.00 33.44 H new ATOM 1177 N VAL A 82 -8.757 -3.549 -4.283 1.00 24.41 N ATOM 1178 CA VAL A 82 -8.611 -2.105 -4.421 1.00 32.13 C ATOM 1179 C VAL A 82 -9.147 -1.379 -3.193 1.00 13.12 C ATOM 1180 O VAL A 82 -10.209 -1.720 -2.670 1.00 74.33 O ATOM 1181 CB VAL A 82 -9.344 -1.585 -5.672 1.00 73.31 C ATOM 1182 CG1 VAL A 82 -9.238 -0.070 -5.762 1.00 31.01 C ATOM 1183 CG2 VAL A 82 -8.788 -2.241 -6.926 1.00 73.41 C ATOM 0 H VAL A 82 -9.721 -3.868 -4.182 1.00 24.41 H new ATOM 0 HA VAL A 82 -7.545 -1.902 -4.522 1.00 32.13 H new ATOM 0 HB VAL A 82 -10.399 -1.848 -5.589 1.00 73.31 H new ATOM 0 HG11 VAL A 82 -9.762 0.279 -6.652 1.00 31.01 H new ATOM 0 HG12 VAL A 82 -9.688 0.379 -4.877 1.00 31.01 H new ATOM 0 HG13 VAL A 82 -8.189 0.218 -5.822 1.00 31.01 H new ATOM 0 HG21 VAL A 82 -9.317 -1.862 -7.800 1.00 73.41 H new ATOM 0 HG22 VAL A 82 -7.726 -2.011 -7.017 1.00 73.41 H new ATOM 0 HG23 VAL A 82 -8.921 -3.321 -6.861 1.00 73.41 H new ATOM 1193 N ILE A 83 -8.407 -0.374 -2.736 1.00 73.12 N ATOM 1194 CA ILE A 83 -8.809 0.402 -1.570 1.00 25.43 C ATOM 1195 C ILE A 83 -8.581 1.893 -1.796 1.00 63.22 C ATOM 1196 O ILE A 83 -7.479 2.316 -2.145 1.00 20.11 O ATOM 1197 CB ILE A 83 -8.042 -0.037 -0.309 1.00 65.15 C ATOM 1198 CG1 ILE A 83 -8.130 -1.555 -0.134 1.00 63.24 C ATOM 1199 CG2 ILE A 83 -8.587 0.675 0.919 1.00 54.22 C ATOM 1200 CD1 ILE A 83 -7.239 -2.090 0.965 1.00 32.21 C ATOM 0 H ILE A 83 -7.526 -0.078 -3.156 1.00 73.12 H new ATOM 0 HA ILE A 83 -9.873 0.218 -1.421 1.00 25.43 H new ATOM 0 HB ILE A 83 -6.994 0.236 -0.427 1.00 65.15 H new ATOM 0 HG12 ILE A 83 -9.163 -1.828 0.082 1.00 63.24 H new ATOM 0 HG13 ILE A 83 -7.862 -2.037 -1.074 1.00 63.24 H new ATOM 0 HG21 ILE A 83 -8.034 0.353 1.801 1.00 54.22 H new ATOM 0 HG22 ILE A 83 -8.476 1.752 0.794 1.00 54.22 H new ATOM 0 HG23 ILE A 83 -9.642 0.431 1.043 1.00 54.22 H new ATOM 0 HD11 ILE A 83 -7.353 -3.172 1.032 1.00 32.21 H new ATOM 0 HD12 ILE A 83 -6.200 -1.848 0.741 1.00 32.21 H new ATOM 0 HD13 ILE A 83 -7.521 -1.636 1.915 1.00 32.21 H new ATOM 1212 N GLU A 84 -9.630 2.684 -1.594 1.00 64.10 N ATOM 1213 CA GLU A 84 -9.542 4.128 -1.775 1.00 73.22 C ATOM 1214 C GLU A 84 -9.846 4.859 -0.471 1.00 51.44 C ATOM 1215 O GLU A 84 -10.780 4.507 0.247 1.00 74.32 O ATOM 1216 CB GLU A 84 -10.511 4.586 -2.868 1.00 0.12 C ATOM 1217 CG GLU A 84 -10.684 6.094 -2.934 1.00 52.23 C ATOM 1218 CD GLU A 84 -11.001 6.584 -4.334 1.00 2.32 C ATOM 1219 OE1 GLU A 84 -11.526 5.784 -5.137 1.00 14.25 O ATOM 1220 OE2 GLU A 84 -10.724 7.767 -4.626 1.00 75.41 O ATOM 0 H GLU A 84 -10.549 2.350 -1.305 1.00 64.10 H new ATOM 0 HA GLU A 84 -8.523 4.370 -2.077 1.00 73.22 H new ATOM 0 HB2 GLU A 84 -10.153 4.227 -3.833 1.00 0.12 H new ATOM 0 HB3 GLU A 84 -11.483 4.124 -2.697 1.00 0.12 H new ATOM 0 HG2 GLU A 84 -11.485 6.394 -2.258 1.00 52.23 H new ATOM 0 HG3 GLU A 84 -9.772 6.576 -2.582 1.00 52.23 H new ATOM 1227 N ALA A 85 -9.048 5.879 -0.172 1.00 10.14 N ATOM 1228 CA ALA A 85 -9.231 6.661 1.044 1.00 10.42 C ATOM 1229 C ALA A 85 -8.516 8.005 0.946 1.00 53.14 C ATOM 1230 O ALA A 85 -7.764 8.251 0.003 1.00 24.25 O ATOM 1231 CB ALA A 85 -8.732 5.883 2.252 1.00 23.12 C ATOM 0 H ALA A 85 -8.269 6.183 -0.756 1.00 10.14 H new ATOM 0 HA ALA A 85 -10.297 6.854 1.165 1.00 10.42 H new ATOM 0 HB1 ALA A 85 -8.875 6.479 3.153 1.00 23.12 H new ATOM 0 HB2 ALA A 85 -9.291 4.951 2.341 1.00 23.12 H new ATOM 0 HB3 ALA A 85 -7.672 5.660 2.129 1.00 23.12 H new ATOM 1237 N ASP A 86 -8.758 8.871 1.924 1.00 54.51 N ATOM 1238 CA ASP A 86 -8.137 10.190 1.947 1.00 41.42 C ATOM 1239 C ASP A 86 -6.632 10.079 2.171 1.00 70.33 C ATOM 1240 O ASP A 86 -6.181 9.423 3.110 1.00 31.31 O ATOM 1241 CB ASP A 86 -8.766 11.054 3.042 1.00 21.12 C ATOM 1242 CG ASP A 86 -10.219 11.382 2.757 1.00 3.23 C ATOM 1243 OD1 ASP A 86 -10.505 11.908 1.660 1.00 22.45 O ATOM 1244 OD2 ASP A 86 -11.069 11.114 3.631 1.00 23.22 O ATOM 0 H ASP A 86 -9.379 8.683 2.711 1.00 54.51 H new ATOM 0 HA ASP A 86 -8.308 10.662 0.979 1.00 41.42 H new ATOM 0 HB2 ASP A 86 -8.694 10.534 3.997 1.00 21.12 H new ATOM 0 HB3 ASP A 86 -8.200 11.980 3.140 1.00 21.12 H new ATOM 1249 N LEU A 87 -5.861 10.722 1.302 1.00 42.40 N ATOM 1250 CA LEU A 87 -4.406 10.695 1.404 1.00 64.32 C ATOM 1251 C LEU A 87 -3.960 10.807 2.858 1.00 20.44 C ATOM 1252 O LEU A 87 -3.137 10.021 3.328 1.00 42.42 O ATOM 1253 CB LEU A 87 -3.795 11.833 0.583 1.00 33.42 C ATOM 1254 CG LEU A 87 -2.281 12.007 0.700 1.00 75.41 C ATOM 1255 CD1 LEU A 87 -1.558 10.800 0.122 1.00 74.31 C ATOM 1256 CD2 LEU A 87 -1.836 13.282 0.000 1.00 44.34 C ATOM 0 H LEU A 87 -6.219 11.269 0.519 1.00 42.40 H new ATOM 0 HA LEU A 87 -4.057 9.741 1.008 1.00 64.32 H new ATOM 0 HB2 LEU A 87 -4.042 11.670 -0.466 1.00 33.42 H new ATOM 0 HB3 LEU A 87 -4.272 12.766 0.882 1.00 33.42 H new ATOM 0 HG LEU A 87 -2.024 12.087 1.756 1.00 75.41 H new ATOM 0 HD11 LEU A 87 -0.481 10.942 0.214 1.00 74.31 H new ATOM 0 HD12 LEU A 87 -1.854 9.903 0.667 1.00 74.31 H new ATOM 0 HD13 LEU A 87 -1.820 10.688 -0.930 1.00 74.31 H new ATOM 0 HD21 LEU A 87 -0.755 13.390 0.093 1.00 44.34 H new ATOM 0 HD22 LEU A 87 -2.106 13.231 -1.055 1.00 44.34 H new ATOM 0 HD23 LEU A 87 -2.327 14.140 0.459 1.00 44.34 H new ATOM 1268 N ALA A 88 -4.510 11.788 3.567 1.00 32.52 N ATOM 1269 CA ALA A 88 -4.172 11.999 4.969 1.00 4.30 C ATOM 1270 C ALA A 88 -4.200 10.687 5.745 1.00 30.44 C ATOM 1271 O ALA A 88 -3.306 10.405 6.543 1.00 5.52 O ATOM 1272 CB ALA A 88 -5.126 13.006 5.596 1.00 44.34 C ATOM 0 H ALA A 88 -5.191 12.449 3.193 1.00 32.52 H new ATOM 0 HA ALA A 88 -3.158 12.396 5.016 1.00 4.30 H new ATOM 0 HB1 ALA A 88 -4.862 13.154 6.643 1.00 44.34 H new ATOM 0 HB2 ALA A 88 -5.053 13.955 5.066 1.00 44.34 H new ATOM 0 HB3 ALA A 88 -6.147 12.631 5.529 1.00 44.34 H new ATOM 1278 N THR A 89 -5.234 9.885 5.507 1.00 52.52 N ATOM 1279 CA THR A 89 -5.380 8.604 6.184 1.00 10.21 C ATOM 1280 C THR A 89 -4.272 7.638 5.778 1.00 15.11 C ATOM 1281 O THR A 89 -3.756 6.888 6.606 1.00 10.15 O ATOM 1282 CB THR A 89 -6.745 7.958 5.879 1.00 43.52 C ATOM 1283 OG1 THR A 89 -7.802 8.814 6.329 1.00 44.24 O ATOM 1284 CG2 THR A 89 -6.864 6.599 6.551 1.00 4.34 C ATOM 0 H THR A 89 -5.983 10.102 4.849 1.00 52.52 H new ATOM 0 HA THR A 89 -5.312 8.803 7.253 1.00 10.21 H new ATOM 0 HB THR A 89 -6.824 7.819 4.801 1.00 43.52 H new ATOM 0 HG1 THR A 89 -8.667 8.398 6.130 1.00 44.24 H new ATOM 0 HG21 THR A 89 -7.836 6.163 6.321 1.00 4.34 H new ATOM 0 HG22 THR A 89 -6.076 5.942 6.184 1.00 4.34 H new ATOM 0 HG23 THR A 89 -6.766 6.717 7.630 1.00 4.34 H new ATOM 1292 N TRP A 90 -3.912 7.663 4.500 1.00 42.21 N ATOM 1293 CA TRP A 90 -2.863 6.789 3.986 1.00 51.45 C ATOM 1294 C TRP A 90 -1.520 7.110 4.632 1.00 31.31 C ATOM 1295 O TRP A 90 -0.930 6.266 5.305 1.00 4.13 O ATOM 1296 CB TRP A 90 -2.758 6.927 2.466 1.00 65.15 C ATOM 1297 CG TRP A 90 -3.838 6.195 1.727 1.00 64.23 C ATOM 1298 CD1 TRP A 90 -4.761 6.736 0.879 1.00 55.35 C ATOM 1299 CD2 TRP A 90 -4.105 4.790 1.771 1.00 61.32 C ATOM 1300 NE1 TRP A 90 -5.588 5.751 0.393 1.00 22.03 N ATOM 1301 CE2 TRP A 90 -5.205 4.548 0.925 1.00 32.34 C ATOM 1302 CE3 TRP A 90 -3.522 3.711 2.441 1.00 12.22 C ATOM 1303 CZ2 TRP A 90 -5.733 3.273 0.736 1.00 42.24 C ATOM 1304 CZ3 TRP A 90 -4.047 2.446 2.252 1.00 34.01 C ATOM 1305 CH2 TRP A 90 -5.142 2.236 1.404 1.00 73.22 C ATOM 0 H TRP A 90 -4.330 8.278 3.801 1.00 42.21 H new ATOM 0 HA TRP A 90 -3.126 5.761 4.234 1.00 51.45 H new ATOM 0 HB2 TRP A 90 -2.798 7.983 2.201 1.00 65.15 H new ATOM 0 HB3 TRP A 90 -1.787 6.553 2.141 1.00 65.15 H new ATOM 0 HD1 TRP A 90 -4.831 7.784 0.627 1.00 55.35 H new ATOM 0 HE1 TRP A 90 -6.361 5.893 -0.258 1.00 22.03 H new ATOM 0 HE3 TRP A 90 -2.676 3.863 3.095 1.00 12.22 H new ATOM 0 HZ2 TRP A 90 -6.579 3.109 0.085 1.00 42.24 H new ATOM 0 HZ3 TRP A 90 -3.605 1.606 2.767 1.00 34.01 H new ATOM 0 HH2 TRP A 90 -5.527 1.235 1.275 1.00 73.22 H new ATOM 1316 N GLN A 91 -1.045 8.334 4.422 1.00 31.24 N ATOM 1317 CA GLN A 91 0.229 8.764 4.985 1.00 11.12 C ATOM 1318 C GLN A 91 0.427 8.192 6.386 1.00 42.14 C ATOM 1319 O GLN A 91 1.526 7.768 6.743 1.00 54.34 O ATOM 1320 CB GLN A 91 0.301 10.291 5.031 1.00 11.01 C ATOM 1321 CG GLN A 91 0.083 10.951 3.679 1.00 3.43 C ATOM 1322 CD GLN A 91 1.252 11.819 3.258 1.00 3.23 C ATOM 1323 OE1 GLN A 91 2.193 12.028 4.026 1.00 50.52 O ATOM 1324 NE2 GLN A 91 1.201 12.330 2.033 1.00 22.44 N ATOM 0 H GLN A 91 -1.523 9.044 3.867 1.00 31.24 H new ATOM 0 HA GLN A 91 1.026 8.388 4.343 1.00 11.12 H new ATOM 0 HB2 GLN A 91 -0.448 10.661 5.732 1.00 11.01 H new ATOM 0 HB3 GLN A 91 1.275 10.589 5.419 1.00 11.01 H new ATOM 0 HG2 GLN A 91 -0.083 10.181 2.926 1.00 3.43 H new ATOM 0 HG3 GLN A 91 -0.821 11.559 3.717 1.00 3.43 H new ATOM 0 HE21 GLN A 91 0.403 12.131 1.430 1.00 22.44 H new ATOM 0 HE22 GLN A 91 1.960 12.921 1.695 1.00 22.44 H new ATOM 1333 N GLU A 92 -0.645 8.183 7.172 1.00 25.23 N ATOM 1334 CA GLU A 92 -0.587 7.663 8.534 1.00 71.02 C ATOM 1335 C GLU A 92 -0.043 6.237 8.549 1.00 4.35 C ATOM 1336 O GLU A 92 1.054 5.985 9.050 1.00 54.53 O ATOM 1337 CB GLU A 92 -1.976 7.698 9.176 1.00 22.12 C ATOM 1338 CG GLU A 92 -2.756 8.966 8.870 1.00 30.42 C ATOM 1339 CD GLU A 92 -3.373 9.584 10.110 1.00 64.22 C ATOM 1340 OE1 GLU A 92 -2.630 9.820 11.086 1.00 55.24 O ATOM 1341 OE2 GLU A 92 -4.596 9.833 10.104 1.00 62.54 O ATOM 0 H GLU A 92 -1.562 8.529 6.890 1.00 25.23 H new ATOM 0 HA GLU A 92 0.088 8.297 9.110 1.00 71.02 H new ATOM 0 HB2 GLU A 92 -2.548 6.837 8.831 1.00 22.12 H new ATOM 0 HB3 GLU A 92 -1.870 7.598 10.256 1.00 22.12 H new ATOM 0 HG2 GLU A 92 -2.093 9.691 8.398 1.00 30.42 H new ATOM 0 HG3 GLU A 92 -3.543 8.739 8.151 1.00 30.42 H new ATOM 1348 N VAL A 93 -0.817 5.309 7.999 1.00 73.34 N ATOM 1349 CA VAL A 93 -0.414 3.909 7.949 1.00 73.22 C ATOM 1350 C VAL A 93 0.953 3.753 7.291 1.00 12.44 C ATOM 1351 O VAL A 93 1.702 2.828 7.604 1.00 63.01 O ATOM 1352 CB VAL A 93 -1.441 3.057 7.179 1.00 72.54 C ATOM 1353 CG1 VAL A 93 -1.642 3.602 5.773 1.00 31.32 C ATOM 1354 CG2 VAL A 93 -1.000 1.601 7.137 1.00 10.00 C ATOM 0 H VAL A 93 -1.728 5.501 7.581 1.00 73.34 H new ATOM 0 HA VAL A 93 -0.360 3.558 8.980 1.00 73.22 H new ATOM 0 HB VAL A 93 -2.396 3.110 7.703 1.00 72.54 H new ATOM 0 HG11 VAL A 93 -2.371 2.987 5.245 1.00 31.32 H new ATOM 0 HG12 VAL A 93 -2.006 4.628 5.829 1.00 31.32 H new ATOM 0 HG13 VAL A 93 -0.694 3.582 5.236 1.00 31.32 H new ATOM 0 HG21 VAL A 93 -1.737 1.013 6.589 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -0.034 1.528 6.638 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.913 1.218 8.154 1.00 10.00 H new ATOM 1364 N LEU A 94 1.271 4.666 6.380 1.00 21.22 N ATOM 1365 CA LEU A 94 2.550 4.631 5.678 1.00 42.31 C ATOM 1366 C LEU A 94 3.693 5.025 6.608 1.00 11.23 C ATOM 1367 O LEU A 94 4.824 4.571 6.443 1.00 1.31 O ATOM 1368 CB LEU A 94 2.516 5.568 4.468 1.00 34.45 C ATOM 1369 CG LEU A 94 2.813 4.925 3.113 1.00 34.11 C ATOM 1370 CD1 LEU A 94 4.207 4.316 3.106 1.00 54.04 C ATOM 1371 CD2 LEU A 94 1.767 3.871 2.782 1.00 33.35 C ATOM 0 H LEU A 94 0.662 5.439 6.110 1.00 21.22 H new ATOM 0 HA LEU A 94 2.720 3.610 5.335 1.00 42.31 H new ATOM 0 HB2 LEU A 94 1.530 6.031 4.420 1.00 34.45 H new ATOM 0 HB3 LEU A 94 3.237 6.369 4.633 1.00 34.45 H new ATOM 0 HG LEU A 94 2.773 5.700 2.348 1.00 34.11 H new ATOM 0 HD11 LEU A 94 4.401 3.863 2.134 1.00 54.04 H new ATOM 0 HD12 LEU A 94 4.945 5.095 3.297 1.00 54.04 H new ATOM 0 HD13 LEU A 94 4.275 3.553 3.882 1.00 54.04 H new ATOM 0 HD21 LEU A 94 1.994 3.424 1.814 1.00 33.35 H new ATOM 0 HD22 LEU A 94 1.774 3.097 3.550 1.00 33.35 H new ATOM 0 HD23 LEU A 94 0.782 4.335 2.745 1.00 33.35 H new ATOM 1383 N GLU A 95 3.387 5.871 7.587 1.00 11.42 N ATOM 1384 CA GLU A 95 4.389 6.325 8.544 1.00 34.33 C ATOM 1385 C GLU A 95 4.614 5.279 9.634 1.00 51.04 C ATOM 1386 O GLU A 95 5.687 5.210 10.231 1.00 2.52 O ATOM 1387 CB GLU A 95 3.960 7.651 9.177 1.00 73.35 C ATOM 1388 CG GLU A 95 4.215 8.858 8.290 1.00 73.51 C ATOM 1389 CD GLU A 95 5.339 9.733 8.806 1.00 41.53 C ATOM 1390 OE1 GLU A 95 5.378 9.990 10.028 1.00 50.12 O ATOM 1391 OE2 GLU A 95 6.181 10.163 7.989 1.00 34.21 O ATOM 0 H GLU A 95 2.454 6.255 7.738 1.00 11.42 H new ATOM 0 HA GLU A 95 5.326 6.473 8.006 1.00 34.33 H new ATOM 0 HB2 GLU A 95 2.897 7.603 9.415 1.00 73.35 H new ATOM 0 HB3 GLU A 95 4.492 7.784 10.119 1.00 73.35 H new ATOM 0 HG2 GLU A 95 4.456 8.519 7.282 1.00 73.51 H new ATOM 0 HG3 GLU A 95 3.303 9.450 8.217 1.00 73.51 H new ATOM 1398 N GLY A 96 3.592 4.467 9.885 1.00 63.30 N ATOM 1399 CA GLY A 96 3.697 3.436 10.902 1.00 34.31 C ATOM 1400 C GLY A 96 2.751 3.669 12.063 1.00 75.23 C ATOM 1401 O GLY A 96 2.485 2.758 12.847 1.00 73.44 O ATOM 0 H GLY A 96 2.694 4.504 9.403 1.00 63.30 H new ATOM 0 HA2 GLY A 96 3.485 2.465 10.454 1.00 34.31 H new ATOM 0 HA3 GLY A 96 4.721 3.399 11.273 1.00 34.31 H new ATOM 1405 N ARG A 97 2.244 4.891 12.175 1.00 12.01 N ATOM 1406 CA ARG A 97 1.324 5.241 13.251 1.00 10.45 C ATOM 1407 C ARG A 97 -0.023 4.549 13.062 1.00 43.21 C ATOM 1408 O ARG A 97 -0.611 4.040 14.017 1.00 72.11 O ATOM 1409 CB ARG A 97 1.126 6.757 13.309 1.00 42.51 C ATOM 1410 CG ARG A 97 2.427 7.542 13.264 1.00 3.43 C ATOM 1411 CD ARG A 97 2.369 8.769 14.162 1.00 41.02 C ATOM 1412 NE ARG A 97 2.563 10.007 13.412 1.00 40.01 N ATOM 1413 CZ ARG A 97 2.222 11.206 13.871 1.00 23.11 C ATOM 1414 NH1 ARG A 97 1.675 11.328 15.072 1.00 30.45 N ATOM 1415 NH2 ARG A 97 2.430 12.285 13.129 1.00 3.31 N ATOM 0 H ARG A 97 2.454 5.656 11.534 1.00 12.01 H new ATOM 0 HA ARG A 97 1.759 4.902 14.191 1.00 10.45 H new ATOM 0 HB2 ARG A 97 0.496 7.065 12.474 1.00 42.51 H new ATOM 0 HB3 ARG A 97 0.590 7.010 14.223 1.00 42.51 H new ATOM 0 HG2 ARG A 97 3.251 6.900 13.576 1.00 3.43 H new ATOM 0 HG3 ARG A 97 2.632 7.850 12.239 1.00 3.43 H new ATOM 0 HD2 ARG A 97 1.405 8.801 14.670 1.00 41.02 H new ATOM 0 HD3 ARG A 97 3.134 8.689 14.934 1.00 41.02 H new ATOM 0 HE ARG A 97 2.984 9.948 12.485 1.00 40.01 H new ATOM 0 HH11 ARG A 97 1.515 10.500 15.646 1.00 30.45 H new ATOM 0 HH12 ARG A 97 1.414 12.250 15.422 1.00 30.45 H new ATOM 0 HH21 ARG A 97 2.852 12.195 12.205 1.00 3.31 H new ATOM 0 HH22 ARG A 97 2.168 13.205 13.482 1.00 3.31 H new ATOM 1429 N LEU A 98 -0.506 4.536 11.825 1.00 72.33 N ATOM 1430 CA LEU A 98 -1.784 3.906 11.510 1.00 22.11 C ATOM 1431 C LEU A 98 -1.579 2.492 10.978 1.00 63.20 C ATOM 1432 O LEU A 98 -0.452 2.081 10.700 1.00 62.33 O ATOM 1433 CB LEU A 98 -2.547 4.743 10.482 1.00 13.42 C ATOM 1434 CG LEU A 98 -3.688 5.601 11.030 1.00 53.44 C ATOM 1435 CD1 LEU A 98 -4.847 4.726 11.480 1.00 1.21 C ATOM 1436 CD2 LEU A 98 -3.198 6.472 12.178 1.00 62.02 C ATOM 0 H LEU A 98 -0.033 4.954 11.024 1.00 72.33 H new ATOM 0 HA LEU A 98 -2.368 3.847 12.429 1.00 22.11 H new ATOM 0 HB2 LEU A 98 -1.837 5.398 9.977 1.00 13.42 H new ATOM 0 HB3 LEU A 98 -2.955 4.071 9.726 1.00 13.42 H new ATOM 0 HG LEU A 98 -4.041 6.253 10.231 1.00 53.44 H new ATOM 0 HD11 LEU A 98 -5.649 5.355 11.867 1.00 1.21 H new ATOM 0 HD12 LEU A 98 -5.216 4.147 10.633 1.00 1.21 H new ATOM 0 HD13 LEU A 98 -4.508 4.048 12.263 1.00 1.21 H new ATOM 0 HD21 LEU A 98 -4.024 7.075 12.555 1.00 62.02 H new ATOM 0 HD22 LEU A 98 -2.817 5.838 12.979 1.00 62.02 H new ATOM 0 HD23 LEU A 98 -2.402 7.127 11.824 1.00 62.02 H new ATOM 1448 N GLU A 99 -2.674 1.752 10.838 1.00 52.21 N ATOM 1449 CA GLU A 99 -2.614 0.384 10.338 1.00 60.51 C ATOM 1450 C GLU A 99 -3.520 0.207 9.124 1.00 44.34 C ATOM 1451 O GLU A 99 -4.583 0.819 9.016 1.00 10.42 O ATOM 1452 CB GLU A 99 -3.017 -0.603 11.437 1.00 15.11 C ATOM 1453 CG GLU A 99 -1.835 -1.214 12.170 1.00 63.11 C ATOM 1454 CD GLU A 99 -1.878 -0.956 13.664 1.00 62.12 C ATOM 1455 OE1 GLU A 99 -2.947 -1.168 14.273 1.00 74.14 O ATOM 1456 OE2 GLU A 99 -0.841 -0.542 14.223 1.00 1.02 O ATOM 0 H GLU A 99 -3.614 2.077 11.064 1.00 52.21 H new ATOM 0 HA GLU A 99 -1.587 0.181 10.035 1.00 60.51 H new ATOM 0 HB2 GLU A 99 -3.655 -0.091 12.157 1.00 15.11 H new ATOM 0 HB3 GLU A 99 -3.612 -1.402 10.995 1.00 15.11 H new ATOM 0 HG2 GLU A 99 -1.818 -2.289 11.991 1.00 63.11 H new ATOM 0 HG3 GLU A 99 -0.910 -0.808 11.761 1.00 63.11 H new ATOM 1463 N PRO A 100 -3.091 -0.649 8.184 1.00 24.45 N ATOM 1464 CA PRO A 100 -3.847 -0.928 6.960 1.00 14.22 C ATOM 1465 C PRO A 100 -5.124 -1.715 7.234 1.00 1.25 C ATOM 1466 O PRO A 100 -6.179 -1.421 6.670 1.00 41.23 O ATOM 1467 CB PRO A 100 -2.874 -1.761 6.123 1.00 22.33 C ATOM 1468 CG PRO A 100 -1.968 -2.400 7.120 1.00 43.32 C ATOM 1469 CD PRO A 100 -1.833 -1.414 8.247 1.00 21.12 C ATOM 0 HA PRO A 100 -4.177 -0.013 6.468 1.00 14.22 H new ATOM 0 HB2 PRO A 100 -3.401 -2.509 5.531 1.00 22.33 H new ATOM 0 HB3 PRO A 100 -2.317 -1.136 5.425 1.00 22.33 H new ATOM 0 HG2 PRO A 100 -2.382 -3.344 7.475 1.00 43.32 H new ATOM 0 HG3 PRO A 100 -0.997 -2.623 6.678 1.00 43.32 H new ATOM 0 HD2 PRO A 100 -1.715 -1.915 9.208 1.00 21.12 H new ATOM 0 HD3 PRO A 100 -0.964 -0.770 8.115 1.00 21.12 H new ATOM 1477 N LEU A 101 -5.023 -2.715 8.103 1.00 41.40 N ATOM 1478 CA LEU A 101 -6.171 -3.544 8.452 1.00 42.00 C ATOM 1479 C LEU A 101 -7.032 -2.864 9.511 1.00 13.33 C ATOM 1480 O LEU A 101 -8.259 -2.854 9.415 1.00 23.33 O ATOM 1481 CB LEU A 101 -5.703 -4.909 8.959 1.00 64.34 C ATOM 1482 CG LEU A 101 -5.423 -5.964 7.886 1.00 13.24 C ATOM 1483 CD1 LEU A 101 -6.687 -6.749 7.569 1.00 24.25 C ATOM 1484 CD2 LEU A 101 -4.869 -5.311 6.628 1.00 14.31 C ATOM 0 H LEU A 101 -4.158 -2.971 8.579 1.00 41.40 H new ATOM 0 HA LEU A 101 -6.774 -3.683 7.555 1.00 42.00 H new ATOM 0 HB2 LEU A 101 -4.795 -4.765 9.544 1.00 64.34 H new ATOM 0 HB3 LEU A 101 -6.461 -5.302 9.637 1.00 64.34 H new ATOM 0 HG LEU A 101 -4.675 -6.657 8.270 1.00 13.24 H new ATOM 0 HD11 LEU A 101 -6.470 -7.495 6.804 1.00 24.25 H new ATOM 0 HD12 LEU A 101 -7.042 -7.247 8.471 1.00 24.25 H new ATOM 0 HD13 LEU A 101 -7.456 -6.068 7.204 1.00 24.25 H new ATOM 0 HD21 LEU A 101 -4.676 -6.076 5.876 1.00 14.31 H new ATOM 0 HD22 LEU A 101 -5.594 -4.596 6.240 1.00 14.31 H new ATOM 0 HD23 LEU A 101 -3.940 -4.793 6.866 1.00 14.31 H new ATOM 1496 N SER A 102 -6.381 -2.293 10.520 1.00 21.21 N ATOM 1497 CA SER A 102 -7.087 -1.612 11.598 1.00 1.55 C ATOM 1498 C SER A 102 -7.851 -0.403 11.068 1.00 5.10 C ATOM 1499 O SER A 102 -8.984 -0.145 11.472 1.00 73.25 O ATOM 1500 CB SER A 102 -6.102 -1.172 12.683 1.00 63.05 C ATOM 1501 OG SER A 102 -6.613 -1.442 13.977 1.00 74.24 O ATOM 0 H SER A 102 -5.365 -2.289 10.613 1.00 21.21 H new ATOM 0 HA SER A 102 -7.803 -2.312 12.029 1.00 1.55 H new ATOM 0 HB2 SER A 102 -5.153 -1.690 12.548 1.00 63.05 H new ATOM 0 HB3 SER A 102 -5.900 -0.106 12.584 1.00 63.05 H new ATOM 0 HG SER A 102 -5.964 -1.153 14.652 1.00 74.24 H new ATOM 1507 N ALA A 103 -7.221 0.336 10.161 1.00 41.24 N ATOM 1508 CA ALA A 103 -7.840 1.518 9.572 1.00 25.43 C ATOM 1509 C ALA A 103 -9.102 1.148 8.800 1.00 43.42 C ATOM 1510 O ALA A 103 -10.138 1.801 8.934 1.00 22.30 O ATOM 1511 CB ALA A 103 -6.853 2.234 8.663 1.00 41.13 C ATOM 0 H ALA A 103 -6.281 0.137 9.818 1.00 41.24 H new ATOM 0 HA ALA A 103 -8.124 2.191 10.381 1.00 25.43 H new ATOM 0 HB1 ALA A 103 -7.329 3.114 8.231 1.00 41.13 H new ATOM 0 HB2 ALA A 103 -5.982 2.540 9.242 1.00 41.13 H new ATOM 0 HB3 ALA A 103 -6.540 1.561 7.864 1.00 41.13 H new ATOM 1517 N LEU A 104 -9.010 0.098 7.991 1.00 43.55 N ATOM 1518 CA LEU A 104 -10.144 -0.358 7.195 1.00 11.21 C ATOM 1519 C LEU A 104 -11.267 -0.868 8.092 1.00 30.23 C ATOM 1520 O LEU A 104 -12.421 -0.949 7.673 1.00 20.24 O ATOM 1521 CB LEU A 104 -9.705 -1.460 6.230 1.00 11.04 C ATOM 1522 CG LEU A 104 -10.159 -2.878 6.579 1.00 40.41 C ATOM 1523 CD1 LEU A 104 -11.576 -3.122 6.083 1.00 53.32 C ATOM 1524 CD2 LEU A 104 -9.202 -3.904 5.991 1.00 11.12 C ATOM 0 H LEU A 104 -8.161 -0.454 7.869 1.00 43.55 H new ATOM 0 HA LEU A 104 -10.519 0.490 6.621 1.00 11.21 H new ATOM 0 HB2 LEU A 104 -10.079 -1.215 5.236 1.00 11.04 H new ATOM 0 HB3 LEU A 104 -8.617 -1.452 6.172 1.00 11.04 H new ATOM 0 HG LEU A 104 -10.152 -2.985 7.664 1.00 40.41 H new ATOM 0 HD11 LEU A 104 -11.882 -4.136 6.340 1.00 53.32 H new ATOM 0 HD12 LEU A 104 -12.254 -2.408 6.552 1.00 53.32 H new ATOM 0 HD13 LEU A 104 -11.609 -2.997 5.001 1.00 53.32 H new ATOM 0 HD21 LEU A 104 -9.541 -4.907 6.249 1.00 11.12 H new ATOM 0 HD22 LEU A 104 -9.176 -3.798 4.907 1.00 11.12 H new ATOM 0 HD23 LEU A 104 -8.203 -3.743 6.395 1.00 11.12 H new ATOM 1536 N MET A 105 -10.921 -1.210 9.329 1.00 0.24 N ATOM 1537 CA MET A 105 -11.901 -1.709 10.287 1.00 63.44 C ATOM 1538 C MET A 105 -12.503 -0.565 11.095 1.00 14.24 C ATOM 1539 O MET A 105 -13.680 -0.597 11.453 1.00 32.44 O ATOM 1540 CB MET A 105 -11.254 -2.729 11.226 1.00 71.43 C ATOM 1541 CG MET A 105 -11.090 -4.107 10.607 1.00 31.40 C ATOM 1542 SD MET A 105 -12.041 -5.374 11.469 1.00 40.12 S ATOM 1543 CE MET A 105 -13.566 -5.351 10.531 1.00 53.11 C ATOM 0 H MET A 105 -9.969 -1.151 9.691 1.00 0.24 H new ATOM 0 HA MET A 105 -12.701 -2.196 9.730 1.00 63.44 H new ATOM 0 HB2 MET A 105 -10.276 -2.359 11.533 1.00 71.43 H new ATOM 0 HB3 MET A 105 -11.859 -2.815 12.128 1.00 71.43 H new ATOM 0 HG2 MET A 105 -11.402 -4.072 9.563 1.00 31.40 H new ATOM 0 HG3 MET A 105 -10.035 -4.382 10.615 1.00 31.40 H new ATOM 0 HE1 MET A 105 -14.409 -5.505 11.204 1.00 53.11 H new ATOM 0 HE2 MET A 105 -13.671 -4.388 10.032 1.00 53.11 H new ATOM 0 HE3 MET A 105 -13.547 -6.146 9.786 1.00 53.11 H new ATOM 1553 N ARG A 106 -11.686 0.445 11.382 1.00 71.24 N ATOM 1554 CA ARG A 106 -12.138 1.597 12.150 1.00 13.54 C ATOM 1555 C ARG A 106 -13.095 2.457 11.329 1.00 53.12 C ATOM 1556 O ARG A 106 -13.893 3.216 11.879 1.00 63.40 O ATOM 1557 CB ARG A 106 -10.942 2.437 12.603 1.00 75.11 C ATOM 1558 CG ARG A 106 -10.169 1.822 13.758 1.00 44.23 C ATOM 1559 CD ARG A 106 -8.977 2.681 14.150 1.00 31.23 C ATOM 1560 NE ARG A 106 -9.264 3.517 15.312 1.00 55.34 N ATOM 1561 CZ ARG A 106 -8.411 4.407 15.807 1.00 42.53 C ATOM 1562 NH1 ARG A 106 -7.222 4.575 15.243 1.00 40.53 N ATOM 1563 NH2 ARG A 106 -8.745 5.131 16.867 1.00 51.32 N ATOM 0 H ARG A 106 -10.709 0.487 11.094 1.00 71.24 H new ATOM 0 HA ARG A 106 -12.669 1.230 13.028 1.00 13.54 H new ATOM 0 HB2 ARG A 106 -10.267 2.578 11.759 1.00 75.11 H new ATOM 0 HB3 ARG A 106 -11.294 3.426 12.898 1.00 75.11 H new ATOM 0 HG2 ARG A 106 -10.830 1.701 14.616 1.00 44.23 H new ATOM 0 HG3 ARG A 106 -9.825 0.826 13.478 1.00 44.23 H new ATOM 0 HD2 ARG A 106 -8.123 2.039 14.367 1.00 31.23 H new ATOM 0 HD3 ARG A 106 -8.694 3.314 13.309 1.00 31.23 H new ATOM 0 HE ARG A 106 -10.170 3.412 15.769 1.00 55.34 H new ATOM 0 HH11 ARG A 106 -6.961 4.020 14.428 1.00 40.53 H new ATOM 0 HH12 ARG A 106 -6.569 5.259 15.625 1.00 40.53 H new ATOM 0 HH21 ARG A 106 -9.658 5.005 17.304 1.00 51.32 H new ATOM 0 HH22 ARG A 106 -8.089 5.814 17.246 1.00 51.32 H new ATOM 1577 N GLY A 107 -13.009 2.333 10.008 1.00 61.40 N ATOM 1578 CA GLY A 107 -13.871 3.105 9.132 1.00 35.42 C ATOM 1579 C GLY A 107 -13.114 4.169 8.365 1.00 43.32 C ATOM 1580 O GLY A 107 -13.685 5.191 7.979 1.00 21.03 O ATOM 0 H GLY A 107 -12.358 1.711 9.529 1.00 61.40 H new ATOM 0 HA2 GLY A 107 -14.362 2.434 8.427 1.00 35.42 H new ATOM 0 HA3 GLY A 107 -14.656 3.577 9.723 1.00 35.42 H new ATOM 1584 N LEU A 108 -11.826 3.933 8.143 1.00 12.53 N ATOM 1585 CA LEU A 108 -10.988 4.882 7.418 1.00 53.35 C ATOM 1586 C LEU A 108 -10.884 4.501 5.944 1.00 31.11 C ATOM 1587 O LEU A 108 -11.140 5.320 5.060 1.00 74.52 O ATOM 1588 CB LEU A 108 -9.592 4.941 8.040 1.00 23.03 C ATOM 1589 CG LEU A 108 -9.540 5.195 9.548 1.00 72.20 C ATOM 1590 CD1 LEU A 108 -8.132 4.975 10.078 1.00 51.20 C ATOM 1591 CD2 LEU A 108 -10.018 6.603 9.868 1.00 52.10 C ATOM 0 H LEU A 108 -11.339 3.093 8.455 1.00 12.53 H new ATOM 0 HA LEU A 108 -11.452 5.866 7.489 1.00 53.35 H new ATOM 0 HB2 LEU A 108 -9.083 4.000 7.832 1.00 23.03 H new ATOM 0 HB3 LEU A 108 -9.026 5.726 7.540 1.00 23.03 H new ATOM 0 HG LEU A 108 -10.206 4.486 10.040 1.00 72.20 H new ATOM 0 HD11 LEU A 108 -8.114 5.160 11.152 1.00 51.20 H new ATOM 0 HD12 LEU A 108 -7.826 3.947 9.882 1.00 51.20 H new ATOM 0 HD13 LEU A 108 -7.445 5.659 9.580 1.00 51.20 H new ATOM 0 HD21 LEU A 108 -9.974 6.766 10.945 1.00 52.10 H new ATOM 0 HD22 LEU A 108 -9.378 7.328 9.365 1.00 52.10 H new ATOM 0 HD23 LEU A 108 -11.045 6.726 9.524 1.00 52.10 H new ATOM 1603 N LEU A 109 -10.508 3.254 5.687 1.00 71.20 N ATOM 1604 CA LEU A 109 -10.373 2.762 4.320 1.00 5.24 C ATOM 1605 C LEU A 109 -11.664 2.099 3.848 1.00 31.24 C ATOM 1606 O LEU A 109 -12.607 1.939 4.621 1.00 34.04 O ATOM 1607 CB LEU A 109 -9.213 1.770 4.226 1.00 21.44 C ATOM 1608 CG LEU A 109 -7.853 2.278 4.708 1.00 61.13 C ATOM 1609 CD1 LEU A 109 -6.886 1.120 4.897 1.00 41.41 C ATOM 1610 CD2 LEU A 109 -7.287 3.295 3.727 1.00 24.01 C ATOM 0 H LEU A 109 -10.291 2.565 6.407 1.00 71.20 H new ATOM 0 HA LEU A 109 -10.167 3.615 3.673 1.00 5.24 H new ATOM 0 HB2 LEU A 109 -9.472 0.883 4.804 1.00 21.44 H new ATOM 0 HB3 LEU A 109 -9.113 1.456 3.187 1.00 21.44 H new ATOM 0 HG LEU A 109 -7.990 2.769 5.671 1.00 61.13 H new ATOM 0 HD11 LEU A 109 -5.924 1.501 5.240 1.00 41.41 H new ATOM 0 HD12 LEU A 109 -7.287 0.428 5.638 1.00 41.41 H new ATOM 0 HD13 LEU A 109 -6.752 0.599 3.949 1.00 41.41 H new ATOM 0 HD21 LEU A 109 -6.319 3.646 4.085 1.00 24.01 H new ATOM 0 HD22 LEU A 109 -7.165 2.829 2.749 1.00 24.01 H new ATOM 0 HD23 LEU A 109 -7.971 4.139 3.643 1.00 24.01 H new ATOM 1622 N GLU A 110 -11.695 1.713 2.577 1.00 54.23 N ATOM 1623 CA GLU A 110 -12.870 1.067 2.004 1.00 23.41 C ATOM 1624 C GLU A 110 -12.483 0.189 0.818 1.00 62.31 C ATOM 1625 O GLU A 110 -12.141 0.689 -0.255 1.00 21.44 O ATOM 1626 CB GLU A 110 -13.893 2.115 1.564 1.00 72.22 C ATOM 1627 CG GLU A 110 -15.287 1.551 1.347 1.00 61.04 C ATOM 1628 CD GLU A 110 -16.157 2.457 0.496 1.00 71.12 C ATOM 1629 OE1 GLU A 110 -15.996 3.691 0.589 1.00 15.31 O ATOM 1630 OE2 GLU A 110 -16.997 1.929 -0.263 1.00 12.10 O ATOM 0 H GLU A 110 -10.921 1.836 1.925 1.00 54.23 H new ATOM 0 HA GLU A 110 -13.316 0.435 2.772 1.00 23.41 H new ATOM 0 HB2 GLU A 110 -13.942 2.902 2.317 1.00 72.22 H new ATOM 0 HB3 GLU A 110 -13.550 2.579 0.639 1.00 72.22 H new ATOM 0 HG2 GLU A 110 -15.209 0.574 0.869 1.00 61.04 H new ATOM 0 HG3 GLU A 110 -15.767 1.396 2.313 1.00 61.04 H new ATOM 1637 N LEU A 111 -12.538 -1.124 1.018 1.00 52.33 N ATOM 1638 CA LEU A 111 -12.194 -2.074 -0.035 1.00 2.02 C ATOM 1639 C LEU A 111 -13.299 -2.150 -1.083 1.00 41.55 C ATOM 1640 O LEU A 111 -14.314 -2.817 -0.885 1.00 61.21 O ATOM 1641 CB LEU A 111 -11.946 -3.459 0.563 1.00 32.22 C ATOM 1642 CG LEU A 111 -11.294 -4.484 -0.365 1.00 75.45 C ATOM 1643 CD1 LEU A 111 -9.786 -4.292 -0.398 1.00 74.24 C ATOM 1644 CD2 LEU A 111 -11.644 -5.899 0.071 1.00 34.14 C ATOM 0 H LEU A 111 -12.817 -1.555 1.899 1.00 52.33 H new ATOM 0 HA LEU A 111 -11.282 -1.726 -0.521 1.00 2.02 H new ATOM 0 HB2 LEU A 111 -11.316 -3.344 1.445 1.00 32.22 H new ATOM 0 HB3 LEU A 111 -12.900 -3.862 0.903 1.00 32.22 H new ATOM 0 HG LEU A 111 -11.681 -4.330 -1.372 1.00 75.45 H new ATOM 0 HD11 LEU A 111 -9.340 -5.031 -1.064 1.00 74.24 H new ATOM 0 HD12 LEU A 111 -9.555 -3.290 -0.760 1.00 74.24 H new ATOM 0 HD13 LEU A 111 -9.381 -4.417 0.606 1.00 74.24 H new ATOM 0 HD21 LEU A 111 -11.171 -6.614 -0.602 1.00 34.14 H new ATOM 0 HD22 LEU A 111 -11.287 -6.065 1.087 1.00 34.14 H new ATOM 0 HD23 LEU A 111 -12.725 -6.032 0.040 1.00 34.14 H new ATOM 1656 N LYS A 112 -13.095 -1.461 -2.202 1.00 2.12 N ATOM 1657 CA LYS A 112 -14.070 -1.452 -3.284 1.00 74.10 C ATOM 1658 C LYS A 112 -14.116 -2.805 -3.987 1.00 73.11 C ATOM 1659 O LYS A 112 -15.191 -3.308 -4.319 1.00 23.42 O ATOM 1660 CB LYS A 112 -13.733 -0.353 -4.294 1.00 13.31 C ATOM 1661 CG LYS A 112 -14.394 0.979 -3.986 1.00 0.34 C ATOM 1662 CD LYS A 112 -15.068 1.566 -5.215 1.00 25.14 C ATOM 1663 CE LYS A 112 -14.048 2.130 -6.193 1.00 12.22 C ATOM 1664 NZ LYS A 112 -14.695 2.938 -7.263 1.00 40.54 N ATOM 0 H LYS A 112 -12.261 -0.901 -2.382 1.00 2.12 H new ATOM 0 HA LYS A 112 -15.051 -1.252 -2.853 1.00 74.10 H new ATOM 0 HB2 LYS A 112 -12.652 -0.215 -4.321 1.00 13.31 H new ATOM 0 HB3 LYS A 112 -14.038 -0.679 -5.288 1.00 13.31 H new ATOM 0 HG2 LYS A 112 -15.132 0.846 -3.195 1.00 0.34 H new ATOM 0 HG3 LYS A 112 -13.647 1.679 -3.611 1.00 0.34 H new ATOM 0 HD2 LYS A 112 -15.661 0.796 -5.709 1.00 25.14 H new ATOM 0 HD3 LYS A 112 -15.758 2.354 -4.912 1.00 25.14 H new ATOM 0 HE2 LYS A 112 -13.331 2.749 -5.654 1.00 12.22 H new ATOM 0 HE3 LYS A 112 -13.487 1.312 -6.645 1.00 12.22 H new ATOM 0 HZ1 LYS A 112 -13.967 3.305 -7.909 1.00 40.54 H new ATOM 0 HZ2 LYS A 112 -15.361 2.341 -7.794 1.00 40.54 H new ATOM 0 HZ3 LYS A 112 -15.210 3.733 -6.834 1.00 40.54 H new ATOM 1678 N LYS A 113 -12.945 -3.391 -4.210 1.00 71.31 N ATOM 1679 CA LYS A 113 -12.851 -4.688 -4.870 1.00 65.13 C ATOM 1680 C LYS A 113 -12.789 -5.817 -3.846 1.00 73.01 C ATOM 1681 O LYS A 113 -12.959 -5.591 -2.648 1.00 63.45 O ATOM 1682 CB LYS A 113 -11.615 -4.736 -5.771 1.00 42.42 C ATOM 1683 CG LYS A 113 -11.943 -4.736 -7.254 1.00 15.30 C ATOM 1684 CD LYS A 113 -12.192 -3.329 -7.771 1.00 11.22 C ATOM 1685 CE LYS A 113 -13.668 -2.965 -7.708 1.00 12.32 C ATOM 1686 NZ LYS A 113 -13.974 -1.747 -8.509 1.00 61.02 N ATOM 0 H LYS A 113 -12.047 -2.988 -3.943 1.00 71.31 H new ATOM 0 HA LYS A 113 -13.744 -4.822 -5.480 1.00 65.13 H new ATOM 0 HB2 LYS A 113 -10.980 -3.879 -5.548 1.00 42.42 H new ATOM 0 HB3 LYS A 113 -11.038 -5.630 -5.535 1.00 42.42 H new ATOM 0 HG2 LYS A 113 -11.121 -5.188 -7.809 1.00 15.30 H new ATOM 0 HG3 LYS A 113 -12.825 -5.351 -7.432 1.00 15.30 H new ATOM 0 HD2 LYS A 113 -11.615 -2.616 -7.182 1.00 11.22 H new ATOM 0 HD3 LYS A 113 -11.840 -3.251 -8.800 1.00 11.22 H new ATOM 0 HE2 LYS A 113 -14.264 -3.800 -8.075 1.00 12.32 H new ATOM 0 HE3 LYS A 113 -13.957 -2.799 -6.670 1.00 12.32 H new ATOM 0 HZ1 LYS A 113 -14.989 -1.532 -8.440 1.00 61.02 H new ATOM 0 HZ2 LYS A 113 -13.425 -0.944 -8.143 1.00 61.02 H new ATOM 0 HZ3 LYS A 113 -13.722 -1.914 -9.504 1.00 61.02 H new ATOM 1700 N GLY A 114 -12.546 -7.033 -4.326 1.00 5.23 N ATOM 1701 CA GLY A 114 -12.465 -8.178 -3.438 1.00 72.55 C ATOM 1702 C GLY A 114 -13.420 -8.072 -2.267 1.00 15.51 C ATOM 1703 O GLY A 114 -14.550 -7.606 -2.417 1.00 53.32 O ATOM 0 H GLY A 114 -12.404 -7.245 -5.313 1.00 5.23 H new ATOM 0 HA2 GLY A 114 -12.684 -9.086 -4.000 1.00 72.55 H new ATOM 0 HA3 GLY A 114 -11.446 -8.272 -3.064 1.00 72.55 H new ATOM 1707 N THR A 115 -12.967 -8.505 -1.094 1.00 72.41 N ATOM 1708 CA THR A 115 -13.791 -8.461 0.107 1.00 12.55 C ATOM 1709 C THR A 115 -12.935 -8.558 1.365 1.00 62.43 C ATOM 1710 O THR A 115 -11.859 -9.158 1.349 1.00 63.11 O ATOM 1711 CB THR A 115 -14.832 -9.596 0.118 1.00 1.33 C ATOM 1712 OG1 THR A 115 -15.819 -9.344 1.125 1.00 33.34 O ATOM 1713 CG2 THR A 115 -14.166 -10.938 0.377 1.00 24.05 C ATOM 0 H THR A 115 -12.033 -8.890 -0.951 1.00 72.41 H new ATOM 0 HA THR A 115 -14.311 -7.503 0.098 1.00 12.55 H new ATOM 0 HB THR A 115 -15.312 -9.630 -0.860 1.00 1.33 H new ATOM 0 HG1 THR A 115 -16.479 -10.069 1.125 1.00 33.34 H new ATOM 0 HG21 THR A 115 -14.921 -11.724 0.380 1.00 24.05 H new ATOM 0 HG22 THR A 115 -13.436 -11.139 -0.407 1.00 24.05 H new ATOM 0 HG23 THR A 115 -13.663 -10.914 1.344 1.00 24.05 H new ATOM 1721 N ILE A 116 -13.418 -7.968 2.453 1.00 73.13 N ATOM 1722 CA ILE A 116 -12.697 -7.992 3.719 1.00 51.31 C ATOM 1723 C ILE A 116 -12.563 -9.416 4.248 1.00 13.52 C ATOM 1724 O ILE A 116 -11.564 -9.764 4.876 1.00 45.25 O ATOM 1725 CB ILE A 116 -13.396 -7.125 4.781 1.00 12.45 C ATOM 1726 CG1 ILE A 116 -12.423 -6.778 5.909 1.00 30.35 C ATOM 1727 CG2 ILE A 116 -14.619 -7.843 5.332 1.00 53.12 C ATOM 1728 CD1 ILE A 116 -13.023 -5.883 6.972 1.00 45.22 C ATOM 0 H ILE A 116 -14.306 -7.467 2.483 1.00 73.13 H new ATOM 0 HA ILE A 116 -11.705 -7.584 3.525 1.00 51.31 H new ATOM 0 HB ILE A 116 -13.725 -6.198 4.311 1.00 12.45 H new ATOM 0 HG12 ILE A 116 -12.077 -7.700 6.375 1.00 30.35 H new ATOM 0 HG13 ILE A 116 -11.547 -6.287 5.484 1.00 30.35 H new ATOM 0 HG21 ILE A 116 -15.102 -7.216 6.082 1.00 53.12 H new ATOM 0 HG22 ILE A 116 -15.319 -8.043 4.521 1.00 53.12 H new ATOM 0 HG23 ILE A 116 -14.313 -8.784 5.788 1.00 53.12 H new ATOM 0 HD11 ILE A 116 -12.276 -5.679 7.739 1.00 45.22 H new ATOM 0 HD12 ILE A 116 -13.344 -4.945 6.519 1.00 45.22 H new ATOM 0 HD13 ILE A 116 -13.881 -6.380 7.424 1.00 45.22 H new ATOM 1740 N ALA A 117 -13.577 -10.235 3.990 1.00 31.42 N ATOM 1741 CA ALA A 117 -13.572 -11.622 4.438 1.00 75.11 C ATOM 1742 C ALA A 117 -12.376 -12.378 3.869 1.00 51.44 C ATOM 1743 O ALA A 117 -12.087 -13.500 4.280 1.00 65.21 O ATOM 1744 CB ALA A 117 -14.871 -12.309 4.042 1.00 64.24 C ATOM 0 H ALA A 117 -14.413 -9.962 3.473 1.00 31.42 H new ATOM 0 HA ALA A 117 -13.488 -11.627 5.525 1.00 75.11 H new ATOM 0 HB1 ALA A 117 -14.854 -13.344 4.383 1.00 64.24 H new ATOM 0 HB2 ALA A 117 -15.712 -11.790 4.502 1.00 64.24 H new ATOM 0 HB3 ALA A 117 -14.979 -12.286 2.958 1.00 64.24 H new ATOM 1750 N ALA A 118 -11.686 -11.756 2.919 1.00 2.50 N ATOM 1751 CA ALA A 118 -10.520 -12.369 2.294 1.00 35.21 C ATOM 1752 C ALA A 118 -9.242 -12.008 3.043 1.00 12.23 C ATOM 1753 O ALA A 118 -8.202 -12.641 2.858 1.00 1.31 O ATOM 1754 CB ALA A 118 -10.419 -11.945 0.837 1.00 42.41 C ATOM 0 H ALA A 118 -11.914 -10.827 2.565 1.00 2.50 H new ATOM 0 HA ALA A 118 -10.641 -13.451 2.338 1.00 35.21 H new ATOM 0 HB1 ALA A 118 -9.544 -12.410 0.383 1.00 42.41 H new ATOM 0 HB2 ALA A 118 -11.316 -12.260 0.303 1.00 42.41 H new ATOM 0 HB3 ALA A 118 -10.325 -10.861 0.779 1.00 42.41 H new ATOM 1760 N LEU A 119 -9.326 -10.985 3.887 1.00 61.11 N ATOM 1761 CA LEU A 119 -8.175 -10.539 4.664 1.00 25.14 C ATOM 1762 C LEU A 119 -8.136 -11.227 6.025 1.00 3.23 C ATOM 1763 O LEU A 119 -7.145 -11.137 6.749 1.00 41.12 O ATOM 1764 CB LEU A 119 -8.216 -9.021 4.849 1.00 54.51 C ATOM 1765 CG LEU A 119 -8.571 -8.204 3.605 1.00 1.24 C ATOM 1766 CD1 LEU A 119 -8.857 -6.758 3.982 1.00 61.43 C ATOM 1767 CD2 LEU A 119 -7.448 -8.278 2.581 1.00 21.22 C ATOM 0 H LEU A 119 -10.179 -10.449 4.050 1.00 61.11 H new ATOM 0 HA LEU A 119 -7.272 -10.808 4.115 1.00 25.14 H new ATOM 0 HB2 LEU A 119 -8.940 -8.789 5.630 1.00 54.51 H new ATOM 0 HB3 LEU A 119 -7.241 -8.692 5.210 1.00 54.51 H new ATOM 0 HG LEU A 119 -9.471 -8.627 3.159 1.00 1.24 H new ATOM 0 HD11 LEU A 119 -9.108 -6.191 3.085 1.00 61.43 H new ATOM 0 HD12 LEU A 119 -9.694 -6.723 4.680 1.00 61.43 H new ATOM 0 HD13 LEU A 119 -7.975 -6.323 4.451 1.00 61.43 H new ATOM 0 HD21 LEU A 119 -7.717 -7.691 1.703 1.00 21.22 H new ATOM 0 HD22 LEU A 119 -6.532 -7.880 3.017 1.00 21.22 H new ATOM 0 HD23 LEU A 119 -7.289 -9.316 2.289 1.00 21.22 H new ATOM 1779 N ALA A 120 -9.220 -11.916 6.365 1.00 15.10 N ATOM 1780 CA ALA A 120 -9.308 -12.624 7.636 1.00 11.14 C ATOM 1781 C ALA A 120 -7.953 -13.189 8.046 1.00 40.41 C ATOM 1782 O ALA A 120 -7.398 -12.843 9.090 1.00 61.33 O ATOM 1783 CB ALA A 120 -10.342 -13.736 7.550 1.00 33.55 C ATOM 0 H ALA A 120 -10.050 -11.999 5.778 1.00 15.10 H new ATOM 0 HA ALA A 120 -9.620 -11.911 8.399 1.00 11.14 H new ATOM 0 HB1 ALA A 120 -10.397 -14.256 8.506 1.00 33.55 H new ATOM 0 HB2 ALA A 120 -11.316 -13.309 7.312 1.00 33.55 H new ATOM 0 HB3 ALA A 120 -10.055 -14.441 6.770 1.00 33.55 H new ATOM 1789 N PRO A 121 -7.404 -14.079 7.205 1.00 31.14 N ATOM 1790 CA PRO A 121 -6.106 -14.711 7.460 1.00 51.20 C ATOM 1791 C PRO A 121 -4.947 -13.728 7.330 1.00 30.03 C ATOM 1792 O PRO A 121 -4.032 -13.721 8.154 1.00 61.35 O ATOM 1793 CB PRO A 121 -6.018 -15.788 6.375 1.00 23.24 C ATOM 1794 CG PRO A 121 -6.892 -15.291 5.276 1.00 22.20 C ATOM 1795 CD PRO A 121 -8.009 -14.537 5.944 1.00 45.14 C ATOM 0 HA PRO A 121 -6.035 -15.101 8.475 1.00 51.20 H new ATOM 0 HB2 PRO A 121 -4.992 -15.923 6.034 1.00 23.24 H new ATOM 0 HB3 PRO A 121 -6.360 -16.754 6.747 1.00 23.24 H new ATOM 0 HG2 PRO A 121 -6.336 -14.644 4.597 1.00 22.20 H new ATOM 0 HG3 PRO A 121 -7.280 -16.118 4.682 1.00 22.20 H new ATOM 0 HD2 PRO A 121 -8.350 -13.700 5.334 1.00 45.14 H new ATOM 0 HD3 PRO A 121 -8.875 -15.175 6.122 1.00 45.14 H new ATOM 1803 N TYR A 122 -4.993 -12.901 6.293 1.00 53.33 N ATOM 1804 CA TYR A 122 -3.946 -11.915 6.055 1.00 42.33 C ATOM 1805 C TYR A 122 -4.197 -10.646 6.865 1.00 31.23 C ATOM 1806 O TYR A 122 -4.133 -9.536 6.338 1.00 64.42 O ATOM 1807 CB TYR A 122 -3.867 -11.573 4.565 1.00 23.14 C ATOM 1808 CG TYR A 122 -3.942 -12.784 3.662 1.00 3.25 C ATOM 1809 CD1 TYR A 122 -2.795 -13.487 3.312 1.00 12.14 C ATOM 1810 CD2 TYR A 122 -5.160 -13.225 3.159 1.00 21.45 C ATOM 1811 CE1 TYR A 122 -2.859 -14.592 2.487 1.00 75.23 C ATOM 1812 CE2 TYR A 122 -5.234 -14.331 2.334 1.00 2.21 C ATOM 1813 CZ TYR A 122 -4.081 -15.011 2.000 1.00 5.13 C ATOM 1814 OH TYR A 122 -4.149 -16.112 1.180 1.00 70.55 O ATOM 0 H TYR A 122 -5.744 -12.893 5.603 1.00 53.33 H new ATOM 0 HA TYR A 122 -2.997 -12.347 6.374 1.00 42.33 H new ATOM 0 HB2 TYR A 122 -4.680 -10.891 4.313 1.00 23.14 H new ATOM 0 HB3 TYR A 122 -2.935 -11.043 4.371 1.00 23.14 H new ATOM 0 HD1 TYR A 122 -1.837 -13.163 3.692 1.00 12.14 H new ATOM 0 HD2 TYR A 122 -6.064 -12.694 3.417 1.00 21.45 H new ATOM 0 HE1 TYR A 122 -1.958 -15.126 2.224 1.00 75.23 H new ATOM 0 HE2 TYR A 122 -6.189 -14.661 1.953 1.00 2.21 H new ATOM 0 HH TYR A 122 -5.082 -16.274 0.926 1.00 70.55 H new ATOM 1824 N ALA A 123 -4.483 -10.822 8.151 1.00 0.51 N ATOM 1825 CA ALA A 123 -4.741 -9.693 9.037 1.00 44.43 C ATOM 1826 C ALA A 123 -3.442 -9.141 9.615 1.00 52.52 C ATOM 1827 O ALA A 123 -3.288 -7.929 9.770 1.00 65.34 O ATOM 1828 CB ALA A 123 -5.685 -10.105 10.156 1.00 55.12 C ATOM 0 H ALA A 123 -4.542 -11.735 8.602 1.00 0.51 H new ATOM 0 HA ALA A 123 -5.212 -8.904 8.451 1.00 44.43 H new ATOM 0 HB1 ALA A 123 -5.869 -9.252 10.810 1.00 55.12 H new ATOM 0 HB2 ALA A 123 -6.629 -10.445 9.729 1.00 55.12 H new ATOM 0 HB3 ALA A 123 -5.235 -10.914 10.732 1.00 55.12 H new ATOM 1834 N GLN A 124 -2.514 -10.037 9.933 1.00 5.11 N ATOM 1835 CA GLN A 124 -1.229 -9.638 10.496 1.00 62.03 C ATOM 1836 C GLN A 124 -0.188 -9.450 9.397 1.00 1.44 C ATOM 1837 O GLN A 124 0.718 -8.626 9.521 1.00 31.05 O ATOM 1838 CB GLN A 124 -0.742 -10.682 11.502 1.00 21.22 C ATOM 1839 CG GLN A 124 -0.878 -10.241 12.950 1.00 21.52 C ATOM 1840 CD GLN A 124 -0.015 -11.057 13.892 1.00 65.21 C ATOM 1841 OE1 GLN A 124 0.804 -10.512 14.633 1.00 13.11 O ATOM 1842 NE2 GLN A 124 -0.192 -12.373 13.868 1.00 15.15 N ATOM 0 H GLN A 124 -2.627 -11.043 9.811 1.00 5.11 H new ATOM 0 HA GLN A 124 -1.366 -8.686 11.009 1.00 62.03 H new ATOM 0 HB2 GLN A 124 -1.305 -11.604 11.357 1.00 21.22 H new ATOM 0 HB3 GLN A 124 0.304 -10.911 11.297 1.00 21.22 H new ATOM 0 HG2 GLN A 124 -0.605 -9.189 13.033 1.00 21.52 H new ATOM 0 HG3 GLN A 124 -1.921 -10.324 13.255 1.00 21.52 H new ATOM 0 HE21 GLN A 124 -0.882 -12.783 13.239 1.00 15.15 H new ATOM 0 HE22 GLN A 124 0.362 -12.973 14.479 1.00 15.15 H new ATOM 1851 N ALA A 125 -0.324 -10.219 8.322 1.00 43.44 N ATOM 1852 CA ALA A 125 0.604 -10.135 7.201 1.00 71.44 C ATOM 1853 C ALA A 125 0.816 -8.688 6.771 1.00 51.21 C ATOM 1854 O ALA A 125 1.864 -8.339 6.228 1.00 32.11 O ATOM 1855 CB ALA A 125 0.096 -10.966 6.032 1.00 35.14 C ATOM 0 H ALA A 125 -1.068 -10.907 8.204 1.00 43.44 H new ATOM 0 HA ALA A 125 1.565 -10.534 7.526 1.00 71.44 H new ATOM 0 HB1 ALA A 125 0.799 -10.894 5.202 1.00 35.14 H new ATOM 0 HB2 ALA A 125 0.003 -12.008 6.339 1.00 35.14 H new ATOM 0 HB3 ALA A 125 -0.878 -10.592 5.716 1.00 35.14 H new ATOM 1861 N ALA A 126 -0.185 -7.850 7.016 1.00 41.13 N ATOM 1862 CA ALA A 126 -0.106 -6.440 6.655 1.00 53.44 C ATOM 1863 C ALA A 126 0.997 -5.734 7.435 1.00 3.20 C ATOM 1864 O ALA A 126 1.648 -4.825 6.921 1.00 61.34 O ATOM 1865 CB ALA A 126 -1.445 -5.758 6.896 1.00 11.43 C ATOM 0 H ALA A 126 -1.060 -8.123 7.463 1.00 41.13 H new ATOM 0 HA ALA A 126 0.137 -6.375 5.594 1.00 53.44 H new ATOM 0 HB1 ALA A 126 -1.372 -4.705 6.622 1.00 11.43 H new ATOM 0 HB2 ALA A 126 -2.212 -6.238 6.289 1.00 11.43 H new ATOM 0 HB3 ALA A 126 -1.711 -5.841 7.950 1.00 11.43 H new ATOM 1871 N GLN A 127 1.200 -6.157 8.679 1.00 62.44 N ATOM 1872 CA GLN A 127 2.224 -5.563 9.529 1.00 22.13 C ATOM 1873 C GLN A 127 3.596 -5.647 8.868 1.00 4.42 C ATOM 1874 O GLN A 127 4.491 -4.858 9.173 1.00 74.11 O ATOM 1875 CB GLN A 127 2.257 -6.264 10.889 1.00 50.02 C ATOM 1876 CG GLN A 127 1.197 -5.764 11.856 1.00 73.14 C ATOM 1877 CD GLN A 127 1.772 -4.890 12.952 1.00 1.15 C ATOM 1878 OE1 GLN A 127 2.153 -3.743 12.712 1.00 30.35 O ATOM 1879 NE2 GLN A 127 1.838 -5.427 14.165 1.00 12.25 N ATOM 0 H GLN A 127 0.669 -6.908 9.120 1.00 62.44 H new ATOM 0 HA GLN A 127 1.975 -4.512 9.675 1.00 22.13 H new ATOM 0 HB2 GLN A 127 2.124 -7.336 10.740 1.00 50.02 H new ATOM 0 HB3 GLN A 127 3.241 -6.124 11.337 1.00 50.02 H new ATOM 0 HG2 GLN A 127 0.445 -5.200 11.304 1.00 73.14 H new ATOM 0 HG3 GLN A 127 0.690 -6.617 12.306 1.00 73.14 H new ATOM 0 HE21 GLN A 127 1.511 -6.381 14.319 1.00 12.25 H new ATOM 0 HE22 GLN A 127 2.216 -4.886 14.943 1.00 12.25 H new ATOM 1888 N GLU A 128 3.755 -6.607 7.963 1.00 54.31 N ATOM 1889 CA GLU A 128 5.018 -6.793 7.260 1.00 24.21 C ATOM 1890 C GLU A 128 5.154 -5.799 6.111 1.00 50.22 C ATOM 1891 O GLU A 128 6.179 -5.131 5.970 1.00 0.52 O ATOM 1892 CB GLU A 128 5.126 -8.223 6.727 1.00 50.02 C ATOM 1893 CG GLU A 128 5.204 -9.276 7.820 1.00 52.23 C ATOM 1894 CD GLU A 128 6.331 -9.016 8.801 1.00 70.32 C ATOM 1895 OE1 GLU A 128 7.457 -9.493 8.549 1.00 24.44 O ATOM 1896 OE2 GLU A 128 6.086 -8.336 9.819 1.00 24.40 O ATOM 0 H GLU A 128 3.024 -7.268 7.699 1.00 54.31 H new ATOM 0 HA GLU A 128 5.827 -6.615 7.969 1.00 24.21 H new ATOM 0 HB2 GLU A 128 4.264 -8.432 6.094 1.00 50.02 H new ATOM 0 HB3 GLU A 128 6.011 -8.301 6.096 1.00 50.02 H new ATOM 0 HG2 GLU A 128 4.257 -9.305 8.359 1.00 52.23 H new ATOM 0 HG3 GLU A 128 5.342 -10.257 7.365 1.00 52.23 H new ATOM 1903 N LEU A 129 4.113 -5.706 5.291 1.00 33.33 N ATOM 1904 CA LEU A 129 4.113 -4.794 4.152 1.00 1.24 C ATOM 1905 C LEU A 129 4.472 -3.377 4.591 1.00 34.41 C ATOM 1906 O LEU A 129 5.330 -2.729 3.991 1.00 35.23 O ATOM 1907 CB LEU A 129 2.746 -4.799 3.469 1.00 13.02 C ATOM 1908 CG LEU A 129 2.551 -5.836 2.362 1.00 43.32 C ATOM 1909 CD1 LEU A 129 1.286 -6.643 2.602 1.00 31.10 C ATOM 1910 CD2 LEU A 129 2.504 -5.158 1.000 1.00 32.14 C ATOM 0 H LEU A 129 3.257 -6.251 5.394 1.00 33.33 H new ATOM 0 HA LEU A 129 4.866 -5.137 3.442 1.00 1.24 H new ATOM 0 HB2 LEU A 129 1.983 -4.962 4.230 1.00 13.02 H new ATOM 0 HB3 LEU A 129 2.570 -3.810 3.047 1.00 13.02 H new ATOM 0 HG LEU A 129 3.400 -6.519 2.377 1.00 43.32 H new ATOM 0 HD11 LEU A 129 1.165 -7.375 1.804 1.00 31.10 H new ATOM 0 HD12 LEU A 129 1.360 -7.159 3.560 1.00 31.10 H new ATOM 0 HD13 LEU A 129 0.425 -5.975 2.615 1.00 31.10 H new ATOM 0 HD21 LEU A 129 2.365 -5.910 0.224 1.00 32.14 H new ATOM 0 HD22 LEU A 129 1.674 -4.452 0.974 1.00 32.14 H new ATOM 0 HD23 LEU A 129 3.439 -4.626 0.826 1.00 32.14 H new ATOM 1922 N VAL A 130 3.809 -2.903 5.641 1.00 73.32 N ATOM 1923 CA VAL A 130 4.059 -1.565 6.161 1.00 14.53 C ATOM 1924 C VAL A 130 5.488 -1.433 6.676 1.00 54.02 C ATOM 1925 O VAL A 130 6.124 -0.391 6.515 1.00 3.54 O ATOM 1926 CB VAL A 130 3.081 -1.213 7.299 1.00 44.43 C ATOM 1927 CG1 VAL A 130 3.301 -2.128 8.494 1.00 42.44 C ATOM 1928 CG2 VAL A 130 3.234 0.247 7.699 1.00 2.14 C ATOM 0 H VAL A 130 3.095 -3.426 6.148 1.00 73.32 H new ATOM 0 HA VAL A 130 3.908 -0.871 5.334 1.00 14.53 H new ATOM 0 HB VAL A 130 2.063 -1.363 6.940 1.00 44.43 H new ATOM 0 HG11 VAL A 130 2.602 -1.865 9.288 1.00 42.44 H new ATOM 0 HG12 VAL A 130 3.137 -3.163 8.195 1.00 42.44 H new ATOM 0 HG13 VAL A 130 4.322 -2.013 8.857 1.00 42.44 H new ATOM 0 HG21 VAL A 130 2.536 0.479 8.504 1.00 2.14 H new ATOM 0 HG22 VAL A 130 4.254 0.426 8.040 1.00 2.14 H new ATOM 0 HG23 VAL A 130 3.022 0.884 6.840 1.00 2.14 H new ATOM 1938 N LYS A 131 5.989 -2.497 7.294 1.00 12.02 N ATOM 1939 CA LYS A 131 7.344 -2.503 7.831 1.00 23.05 C ATOM 1940 C LYS A 131 8.355 -2.105 6.760 1.00 2.02 C ATOM 1941 O LYS A 131 9.171 -1.207 6.965 1.00 24.15 O ATOM 1942 CB LYS A 131 7.690 -3.887 8.385 1.00 13.11 C ATOM 1943 CG LYS A 131 8.809 -3.869 9.412 1.00 74.55 C ATOM 1944 CD LYS A 131 8.269 -3.976 10.827 1.00 2.43 C ATOM 1945 CE LYS A 131 9.290 -3.502 11.850 1.00 11.53 C ATOM 1946 NZ LYS A 131 8.638 -2.925 13.059 1.00 62.12 N ATOM 0 H LYS A 131 5.476 -3.367 7.435 1.00 12.02 H new ATOM 0 HA LYS A 131 7.391 -1.773 8.639 1.00 23.05 H new ATOM 0 HB2 LYS A 131 6.799 -4.321 8.839 1.00 13.11 H new ATOM 0 HB3 LYS A 131 7.976 -4.538 7.559 1.00 13.11 H new ATOM 0 HG2 LYS A 131 9.494 -4.695 9.220 1.00 74.55 H new ATOM 0 HG3 LYS A 131 9.383 -2.948 9.309 1.00 74.55 H new ATOM 0 HD2 LYS A 131 7.360 -3.382 10.917 1.00 2.43 H new ATOM 0 HD3 LYS A 131 7.996 -5.010 11.036 1.00 2.43 H new ATOM 0 HE2 LYS A 131 9.925 -4.338 12.144 1.00 11.53 H new ATOM 0 HE3 LYS A 131 9.939 -2.754 11.395 1.00 11.53 H new ATOM 0 HZ1 LYS A 131 9.368 -2.614 13.732 1.00 62.12 H new ATOM 0 HZ2 LYS A 131 8.052 -2.111 12.783 1.00 62.12 H new ATOM 0 HZ3 LYS A 131 8.038 -3.647 13.508 1.00 62.12 H new ATOM 1960 N VAL A 132 8.295 -2.780 5.617 1.00 43.54 N ATOM 1961 CA VAL A 132 9.204 -2.494 4.512 1.00 70.30 C ATOM 1962 C VAL A 132 8.838 -1.184 3.824 1.00 64.44 C ATOM 1963 O VAL A 132 9.672 -0.564 3.164 1.00 32.13 O ATOM 1964 CB VAL A 132 9.195 -3.629 3.471 1.00 74.32 C ATOM 1965 CG1 VAL A 132 10.255 -3.388 2.408 1.00 72.01 C ATOM 1966 CG2 VAL A 132 9.404 -4.976 4.149 1.00 51.12 C ATOM 0 H VAL A 132 7.627 -3.528 5.431 1.00 43.54 H new ATOM 0 HA VAL A 132 10.204 -2.409 4.938 1.00 70.30 H new ATOM 0 HB VAL A 132 8.221 -3.641 2.982 1.00 74.32 H new ATOM 0 HG11 VAL A 132 10.233 -4.200 1.682 1.00 72.01 H new ATOM 0 HG12 VAL A 132 10.055 -2.443 1.902 1.00 72.01 H new ATOM 0 HG13 VAL A 132 11.238 -3.347 2.877 1.00 72.01 H new ATOM 0 HG21 VAL A 132 9.395 -5.766 3.398 1.00 51.12 H new ATOM 0 HG22 VAL A 132 10.363 -4.978 4.666 1.00 51.12 H new ATOM 0 HG23 VAL A 132 8.604 -5.149 4.868 1.00 51.12 H new ATOM 1976 N ALA A 133 7.585 -0.769 3.981 1.00 61.44 N ATOM 1977 CA ALA A 133 7.109 0.469 3.376 1.00 20.23 C ATOM 1978 C ALA A 133 7.810 1.680 3.982 1.00 73.34 C ATOM 1979 O ALA A 133 8.254 2.576 3.263 1.00 51.34 O ATOM 1980 CB ALA A 133 5.602 0.591 3.542 1.00 63.24 C ATOM 0 H ALA A 133 6.882 -1.272 4.522 1.00 61.44 H new ATOM 0 HA ALA A 133 7.345 0.440 2.312 1.00 20.23 H new ATOM 0 HB1 ALA A 133 5.260 1.520 3.086 1.00 63.24 H new ATOM 0 HB2 ALA A 133 5.113 -0.253 3.056 1.00 63.24 H new ATOM 0 HB3 ALA A 133 5.352 0.594 4.603 1.00 63.24 H new ATOM 1986 N ARG A 134 7.907 1.701 5.307 1.00 35.40 N ATOM 1987 CA ARG A 134 8.553 2.804 6.009 1.00 72.12 C ATOM 1988 C ARG A 134 10.041 2.863 5.677 1.00 40.11 C ATOM 1989 O ARG A 134 10.698 3.878 5.907 1.00 13.31 O ATOM 1990 CB ARG A 134 8.363 2.656 7.520 1.00 55.44 C ATOM 1991 CG ARG A 134 6.905 2.656 7.952 1.00 20.30 C ATOM 1992 CD ARG A 134 6.723 1.966 9.294 1.00 33.45 C ATOM 1993 NE ARG A 134 6.869 2.895 10.412 1.00 11.41 N ATOM 1994 CZ ARG A 134 7.004 2.510 11.676 1.00 75.22 C ATOM 1995 NH1 ARG A 134 7.010 1.220 11.981 1.00 35.33 N ATOM 1996 NH2 ARG A 134 7.132 3.415 12.637 1.00 10.41 N ATOM 0 H ARG A 134 7.547 0.967 5.916 1.00 35.40 H new ATOM 0 HA ARG A 134 8.087 3.733 5.680 1.00 72.12 H new ATOM 0 HB2 ARG A 134 8.831 1.727 7.848 1.00 55.44 H new ATOM 0 HB3 ARG A 134 8.883 3.470 8.025 1.00 55.44 H new ATOM 0 HG2 ARG A 134 6.543 3.682 8.017 1.00 20.30 H new ATOM 0 HG3 ARG A 134 6.301 2.152 7.198 1.00 20.30 H new ATOM 0 HD2 ARG A 134 5.737 1.504 9.333 1.00 33.45 H new ATOM 0 HD3 ARG A 134 7.455 1.164 9.391 1.00 33.45 H new ATOM 0 HE ARG A 134 6.867 3.895 10.211 1.00 11.41 H new ATOM 0 HH11 ARG A 134 6.911 0.521 11.244 1.00 35.33 H new ATOM 0 HH12 ARG A 134 7.114 0.926 12.952 1.00 35.33 H new ATOM 0 HH21 ARG A 134 7.127 4.408 12.406 1.00 10.41 H new ATOM 0 HH22 ARG A 134 7.236 3.118 13.607 1.00 10.41 H new ATOM 2010 N GLU A 135 10.565 1.768 5.135 1.00 32.33 N ATOM 2011 CA GLU A 135 11.975 1.696 4.773 1.00 21.21 C ATOM 2012 C GLU A 135 12.254 2.501 3.507 1.00 14.34 C ATOM 2013 O GLU A 135 13.146 3.350 3.481 1.00 3.54 O ATOM 2014 CB GLU A 135 12.399 0.240 4.568 1.00 74.03 C ATOM 2015 CG GLU A 135 12.363 -0.589 5.841 1.00 21.52 C ATOM 2016 CD GLU A 135 13.491 -1.600 5.910 1.00 71.31 C ATOM 2017 OE1 GLU A 135 14.635 -1.192 6.200 1.00 2.10 O ATOM 2018 OE2 GLU A 135 13.230 -2.799 5.675 1.00 43.21 O ATOM 0 H GLU A 135 10.034 0.920 4.937 1.00 32.33 H new ATOM 0 HA GLU A 135 12.555 2.124 5.591 1.00 21.21 H new ATOM 0 HB2 GLU A 135 11.745 -0.219 3.827 1.00 74.03 H new ATOM 0 HB3 GLU A 135 13.409 0.219 4.159 1.00 74.03 H new ATOM 0 HG2 GLU A 135 12.421 0.074 6.704 1.00 21.52 H new ATOM 0 HG3 GLU A 135 11.408 -1.111 5.904 1.00 21.52 H new ATOM 2025 N VAL A 136 11.485 2.228 2.458 1.00 43.22 N ATOM 2026 CA VAL A 136 11.648 2.926 1.188 1.00 3.33 C ATOM 2027 C VAL A 136 11.648 4.438 1.389 1.00 72.25 C ATOM 2028 O VAL A 136 12.668 5.099 1.200 1.00 53.54 O ATOM 2029 CB VAL A 136 10.533 2.550 0.194 1.00 42.03 C ATOM 2030 CG1 VAL A 136 10.981 2.817 -1.235 1.00 13.32 C ATOM 2031 CG2 VAL A 136 10.130 1.094 0.372 1.00 2.42 C ATOM 0 H VAL A 136 10.743 1.528 2.462 1.00 43.22 H new ATOM 0 HA VAL A 136 12.609 2.617 0.777 1.00 3.33 H new ATOM 0 HB VAL A 136 9.661 3.172 0.399 1.00 42.03 H new ATOM 0 HG11 VAL A 136 10.181 2.546 -1.924 1.00 13.32 H new ATOM 0 HG12 VAL A 136 11.216 3.875 -1.351 1.00 13.32 H new ATOM 0 HG13 VAL A 136 11.867 2.222 -1.456 1.00 13.32 H new ATOM 0 HG21 VAL A 136 9.341 0.845 -0.338 1.00 2.42 H new ATOM 0 HG22 VAL A 136 10.994 0.453 0.194 1.00 2.42 H new ATOM 0 HG23 VAL A 136 9.766 0.939 1.388 1.00 2.42 H new