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 Set 1.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.61) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.322 K(o=-0.32,f=-3!) USER MOD Single : A 19 TYR OH : rot -14:sc= -0.004 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.478 K(o=-0.48,f=-2.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.71! 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 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 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 X(o=0,f=-0.037) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -142:sc= -0.619 (180deg=-3.79!) 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 -71:sc= 0.428 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 3.558 8.110 -3.801 1.00 10.14 N ATOM 118 CA PHE A 11 2.906 7.227 -4.760 1.00 33.24 C ATOM 119 C PHE A 11 3.490 7.416 -6.157 1.00 31.12 C ATOM 120 O PHE A 11 2.777 7.763 -7.100 1.00 21.25 O ATOM 121 CB PHE A 11 1.399 7.489 -4.785 1.00 12.53 C ATOM 122 CG PHE A 11 0.737 7.311 -3.449 1.00 25.12 C ATOM 123 CD1 PHE A 11 0.247 6.073 -3.064 1.00 0.34 C ATOM 124 CD2 PHE A 11 0.605 8.380 -2.578 1.00 54.45 C ATOM 125 CE1 PHE A 11 -0.363 5.905 -1.834 1.00 42.21 C ATOM 126 CE2 PHE A 11 -0.004 8.218 -1.348 1.00 1.24 C ATOM 127 CZ PHE A 11 -0.489 6.979 -0.976 1.00 2.54 C ATOM 0 HA PHE A 11 3.083 6.198 -4.447 1.00 33.24 H new ATOM 0 HB2 PHE A 11 1.221 8.505 -5.137 1.00 12.53 H new ATOM 0 HB3 PHE A 11 0.933 6.816 -5.505 1.00 12.53 H new ATOM 0 HD1 PHE A 11 0.343 5.230 -3.732 1.00 0.34 H new ATOM 0 HD2 PHE A 11 0.982 9.351 -2.863 1.00 54.45 H new ATOM 0 HE1 PHE A 11 -0.740 4.935 -1.545 1.00 42.21 H new ATOM 0 HE2 PHE A 11 -0.101 9.059 -0.678 1.00 1.24 H new ATOM 0 HZ PHE A 11 -0.966 6.851 -0.016 1.00 2.54 H new ATOM 137 N THR A 12 4.793 7.185 -6.283 1.00 62.14 N ATOM 138 CA THR A 12 5.474 7.332 -7.563 1.00 63.43 C ATOM 139 C THR A 12 6.011 5.993 -8.058 1.00 30.44 C ATOM 140 O THR A 12 6.478 5.172 -7.268 1.00 2.22 O ATOM 141 CB THR A 12 6.640 8.335 -7.468 1.00 64.52 C ATOM 142 OG1 THR A 12 7.530 7.952 -6.413 1.00 31.10 O ATOM 143 CG2 THR A 12 6.123 9.742 -7.217 1.00 55.43 C ATOM 0 H THR A 12 5.398 6.895 -5.514 1.00 62.14 H new ATOM 0 HA THR A 12 4.736 7.709 -8.271 1.00 63.43 H new ATOM 0 HB THR A 12 7.177 8.327 -8.417 1.00 64.52 H new ATOM 0 HG1 THR A 12 8.269 8.593 -6.360 1.00 31.10 H new ATOM 0 HG21 THR A 12 6.964 10.433 -7.154 1.00 55.43 H new ATOM 0 HG22 THR A 12 5.469 10.041 -8.036 1.00 55.43 H new ATOM 0 HG23 THR A 12 5.565 9.763 -6.281 1.00 55.43 H new ATOM 151 N GLU A 13 5.940 5.779 -9.368 1.00 31.33 N ATOM 152 CA GLU A 13 6.418 4.537 -9.965 1.00 41.21 C ATOM 153 C GLU A 13 7.710 4.075 -9.297 1.00 65.22 C ATOM 154 O GLU A 13 7.945 2.877 -9.139 1.00 22.03 O ATOM 155 CB GLU A 13 6.646 4.724 -11.467 1.00 31.45 C ATOM 156 CG GLU A 13 6.430 3.456 -12.276 1.00 43.11 C ATOM 157 CD GLU A 13 7.088 3.516 -13.641 1.00 45.32 C ATOM 158 OE1 GLU A 13 6.833 4.490 -14.380 1.00 14.14 O ATOM 159 OE2 GLU A 13 7.858 2.589 -13.970 1.00 50.54 O ATOM 0 H GLU A 13 5.557 6.448 -10.035 1.00 31.33 H new ATOM 0 HA GLU A 13 5.657 3.772 -9.812 1.00 41.21 H new ATOM 0 HB2 GLU A 13 5.973 5.499 -11.835 1.00 31.45 H new ATOM 0 HB3 GLU A 13 7.663 5.081 -11.630 1.00 31.45 H new ATOM 0 HG2 GLU A 13 6.826 2.605 -11.723 1.00 43.11 H new ATOM 0 HG3 GLU A 13 5.360 3.286 -12.399 1.00 43.11 H new ATOM 166 N ALA A 14 8.545 5.033 -8.910 1.00 11.13 N ATOM 167 CA ALA A 14 9.812 4.725 -8.258 1.00 51.54 C ATOM 168 C ALA A 14 9.587 4.009 -6.931 1.00 70.44 C ATOM 169 O ALA A 14 10.146 2.938 -6.691 1.00 45.22 O ATOM 170 CB ALA A 14 10.617 5.999 -8.043 1.00 23.35 C ATOM 0 H ALA A 14 8.367 6.029 -9.037 1.00 11.13 H new ATOM 0 HA ALA A 14 10.375 4.057 -8.910 1.00 51.54 H new ATOM 0 HB1 ALA A 14 11.561 5.755 -7.555 1.00 23.35 H new ATOM 0 HB2 ALA A 14 10.817 6.470 -9.006 1.00 23.35 H new ATOM 0 HB3 ALA A 14 10.050 6.686 -7.414 1.00 23.35 H new ATOM 176 N TRP A 15 8.767 4.604 -6.074 1.00 4.52 N ATOM 177 CA TRP A 15 8.470 4.022 -4.770 1.00 14.23 C ATOM 178 C TRP A 15 7.655 2.742 -4.919 1.00 52.24 C ATOM 179 O TRP A 15 7.939 1.736 -4.271 1.00 20.23 O ATOM 180 CB TRP A 15 7.710 5.027 -3.901 1.00 22.01 C ATOM 181 CG TRP A 15 7.455 4.534 -2.509 1.00 32.30 C ATOM 182 CD1 TRP A 15 8.232 4.750 -1.408 1.00 24.51 C ATOM 183 CD2 TRP A 15 6.346 3.740 -2.072 1.00 2.44 C ATOM 184 NE1 TRP A 15 7.674 4.138 -0.311 1.00 30.21 N ATOM 185 CE2 TRP A 15 6.517 3.513 -0.692 1.00 12.14 C ATOM 186 CE3 TRP A 15 5.226 3.201 -2.710 1.00 5.54 C ATOM 187 CZ2 TRP A 15 5.608 2.770 0.058 1.00 23.41 C ATOM 188 CZ3 TRP A 15 4.326 2.464 -1.965 1.00 21.42 C ATOM 189 CH2 TRP A 15 4.521 2.254 -0.594 1.00 34.24 C ATOM 0 H TRP A 15 8.295 5.490 -6.258 1.00 4.52 H new ATOM 0 HA TRP A 15 9.415 3.775 -4.286 1.00 14.23 H new ATOM 0 HB2 TRP A 15 8.278 5.956 -3.852 1.00 22.01 H new ATOM 0 HB3 TRP A 15 6.757 5.260 -4.376 1.00 22.01 H new ATOM 0 HD1 TRP A 15 9.150 5.318 -1.400 1.00 24.51 H new ATOM 0 HE1 TRP A 15 8.059 4.148 0.633 1.00 30.21 H new ATOM 0 HE3 TRP A 15 5.067 3.358 -3.767 1.00 5.54 H new ATOM 0 HZ2 TRP A 15 5.756 2.607 1.115 1.00 23.41 H new ATOM 0 HZ3 TRP A 15 3.457 2.042 -2.448 1.00 21.42 H new ATOM 0 HH2 TRP A 15 3.799 1.673 -0.040 1.00 34.24 H new ATOM 200 N ALA A 16 6.641 2.788 -5.777 1.00 22.12 N ATOM 201 CA ALA A 16 5.787 1.630 -6.012 1.00 32.12 C ATOM 202 C ALA A 16 6.606 0.428 -6.469 1.00 71.53 C ATOM 203 O ALA A 16 6.376 -0.696 -6.023 1.00 42.03 O ATOM 204 CB ALA A 16 4.717 1.964 -7.041 1.00 2.13 C ATOM 0 H ALA A 16 6.391 3.614 -6.321 1.00 22.12 H new ATOM 0 HA ALA A 16 5.302 1.370 -5.071 1.00 32.12 H new ATOM 0 HB1 ALA A 16 4.086 1.090 -7.207 1.00 2.13 H new ATOM 0 HB2 ALA A 16 4.105 2.789 -6.675 1.00 2.13 H new ATOM 0 HB3 ALA A 16 5.192 2.252 -7.979 1.00 2.13 H new ATOM 210 N GLN A 17 7.561 0.672 -7.361 1.00 73.32 N ATOM 211 CA GLN A 17 8.412 -0.393 -7.878 1.00 60.12 C ATOM 212 C GLN A 17 9.463 -0.797 -6.850 1.00 61.22 C ATOM 213 O GLN A 17 9.576 -1.970 -6.492 1.00 52.32 O ATOM 214 CB GLN A 17 9.093 0.055 -9.173 1.00 71.41 C ATOM 215 CG GLN A 17 8.135 0.209 -10.342 1.00 72.14 C ATOM 216 CD GLN A 17 8.491 -0.687 -11.513 1.00 43.40 C ATOM 217 OE1 GLN A 17 9.566 -1.288 -11.544 1.00 33.23 O ATOM 218 NE2 GLN A 17 7.591 -0.779 -12.484 1.00 22.21 N ATOM 0 H GLN A 17 7.764 1.597 -7.740 1.00 73.32 H new ATOM 0 HA GLN A 17 7.783 -1.259 -8.086 1.00 60.12 H new ATOM 0 HB2 GLN A 17 9.596 1.006 -8.999 1.00 71.41 H new ATOM 0 HB3 GLN A 17 9.863 -0.669 -9.438 1.00 71.41 H new ATOM 0 HG2 GLN A 17 7.123 -0.020 -10.009 1.00 72.14 H new ATOM 0 HG3 GLN A 17 8.135 1.248 -10.672 1.00 72.14 H new ATOM 0 HE21 GLN A 17 6.714 -0.263 -12.417 1.00 22.21 H new ATOM 0 HE22 GLN A 17 7.777 -1.365 -13.298 1.00 22.21 H new ATOM 227 N ALA A 18 10.231 0.181 -6.380 1.00 74.53 N ATOM 228 CA ALA A 18 11.272 -0.074 -5.392 1.00 12.00 C ATOM 229 C ALA A 18 10.709 -0.805 -4.178 1.00 13.12 C ATOM 230 O ALA A 18 11.340 -1.716 -3.642 1.00 71.43 O ATOM 231 CB ALA A 18 11.928 1.232 -4.968 1.00 60.01 C ATOM 0 H ALA A 18 10.152 1.156 -6.667 1.00 74.53 H new ATOM 0 HA ALA A 18 12.026 -0.714 -5.851 1.00 12.00 H new ATOM 0 HB1 ALA A 18 12.703 1.027 -4.230 1.00 60.01 H new ATOM 0 HB2 ALA A 18 12.374 1.715 -5.838 1.00 60.01 H new ATOM 0 HB3 ALA A 18 11.178 1.891 -4.532 1.00 60.01 H new ATOM 237 N TYR A 19 9.520 -0.398 -3.747 1.00 50.03 N ATOM 238 CA TYR A 19 8.874 -1.011 -2.593 1.00 61.40 C ATOM 239 C TYR A 19 8.474 -2.453 -2.895 1.00 5.31 C ATOM 240 O TYR A 19 8.413 -3.294 -1.997 1.00 13.53 O ATOM 241 CB TYR A 19 7.642 -0.204 -2.183 1.00 13.23 C ATOM 242 CG TYR A 19 6.778 -0.896 -1.153 1.00 22.51 C ATOM 243 CD1 TYR A 19 7.324 -1.369 0.034 1.00 12.45 C ATOM 244 CD2 TYR A 19 5.418 -1.080 -1.368 1.00 30.42 C ATOM 245 CE1 TYR A 19 6.540 -2.003 0.979 1.00 32.12 C ATOM 246 CE2 TYR A 19 4.626 -1.713 -0.429 1.00 24.35 C ATOM 247 CZ TYR A 19 5.191 -2.172 0.742 1.00 24.03 C ATOM 248 OH TYR A 19 4.408 -2.804 1.679 1.00 34.32 O ATOM 0 H TYR A 19 8.984 0.354 -4.180 1.00 50.03 H new ATOM 0 HA TYR A 19 9.588 -1.015 -1.769 1.00 61.40 H new ATOM 0 HB2 TYR A 19 7.965 0.759 -1.786 1.00 13.23 H new ATOM 0 HB3 TYR A 19 7.042 0.001 -3.069 1.00 13.23 H new ATOM 0 HD1 TYR A 19 8.380 -1.239 0.221 1.00 12.45 H new ATOM 0 HD2 TYR A 19 4.972 -0.722 -2.284 1.00 30.42 H new ATOM 0 HE1 TYR A 19 6.980 -2.364 1.897 1.00 32.12 H new ATOM 0 HE2 TYR A 19 3.570 -1.847 -0.611 1.00 24.35 H new ATOM 0 HH TYR A 19 4.981 -3.261 2.330 1.00 34.32 H new ATOM 258 N CYS A 20 8.205 -2.731 -4.166 1.00 0.34 N ATOM 259 CA CYS A 20 7.811 -4.069 -4.589 1.00 51.40 C ATOM 260 C CYS A 20 8.956 -5.059 -4.396 1.00 32.41 C ATOM 261 O CYS A 20 8.750 -6.178 -3.926 1.00 34.25 O ATOM 262 CB CYS A 20 7.376 -4.055 -6.055 1.00 53.24 C ATOM 263 SG CYS A 20 6.915 -5.692 -6.710 1.00 42.21 S ATOM 0 H CYS A 20 8.253 -2.047 -4.921 1.00 0.34 H new ATOM 0 HA CYS A 20 6.971 -4.386 -3.971 1.00 51.40 H new ATOM 0 HB2 CYS A 20 6.528 -3.380 -6.165 1.00 53.24 H new ATOM 0 HB3 CYS A 20 8.187 -3.649 -6.660 1.00 53.24 H new ATOM 268 N ARG A 21 10.162 -4.640 -4.762 1.00 41.32 N ATOM 269 CA ARG A 21 11.339 -5.488 -4.630 1.00 61.40 C ATOM 270 C ARG A 21 11.825 -5.525 -3.184 1.00 23.41 C ATOM 271 O ARG A 21 12.165 -6.584 -2.658 1.00 64.42 O ATOM 272 CB ARG A 21 12.460 -4.989 -5.544 1.00 3.32 C ATOM 273 CG ARG A 21 12.514 -5.697 -6.887 1.00 63.01 C ATOM 274 CD ARG A 21 12.512 -4.707 -8.040 1.00 5.42 C ATOM 275 NE ARG A 21 13.154 -5.254 -9.233 1.00 53.12 N ATOM 276 CZ ARG A 21 14.446 -5.553 -9.301 1.00 54.15 C ATOM 277 NH1 ARG A 21 15.231 -5.359 -8.250 1.00 62.31 N ATOM 278 NH2 ARG A 21 14.955 -6.047 -10.422 1.00 22.20 N ATOM 0 H ARG A 21 10.350 -3.717 -5.153 1.00 41.32 H new ATOM 0 HA ARG A 21 11.061 -6.499 -4.927 1.00 61.40 H new ATOM 0 HB2 ARG A 21 12.331 -3.920 -5.712 1.00 3.32 H new ATOM 0 HB3 ARG A 21 13.416 -5.119 -5.036 1.00 3.32 H new ATOM 0 HG2 ARG A 21 13.411 -6.314 -6.938 1.00 63.01 H new ATOM 0 HG3 ARG A 21 11.660 -6.367 -6.980 1.00 63.01 H new ATOM 0 HD2 ARG A 21 11.485 -4.428 -8.277 1.00 5.42 H new ATOM 0 HD3 ARG A 21 13.028 -3.796 -7.736 1.00 5.42 H new ATOM 0 HE ARG A 21 12.578 -5.415 -10.059 1.00 53.12 H new ATOM 0 HH11 ARG A 21 14.843 -4.979 -7.387 1.00 62.31 H new ATOM 0 HH12 ARG A 21 16.223 -5.590 -8.305 1.00 62.31 H new ATOM 0 HH21 ARG A 21 14.354 -6.197 -11.232 1.00 22.20 H new ATOM 0 HH22 ARG A 21 15.948 -6.276 -10.474 1.00 22.20 H new ATOM 292 N LYS A 22 11.854 -4.360 -2.546 1.00 41.30 N ATOM 293 CA LYS A 22 12.297 -4.257 -1.161 1.00 20.02 C ATOM 294 C LYS A 22 11.601 -5.297 -0.289 1.00 3.23 C ATOM 295 O LYS A 22 12.159 -5.757 0.710 1.00 75.44 O ATOM 296 CB LYS A 22 12.018 -2.853 -0.618 1.00 45.14 C ATOM 297 CG LYS A 22 13.001 -2.409 0.453 1.00 53.04 C ATOM 298 CD LYS A 22 14.236 -1.768 -0.155 1.00 44.43 C ATOM 299 CE LYS A 22 15.319 -1.543 0.889 1.00 13.54 C ATOM 300 NZ LYS A 22 16.684 -1.689 0.315 1.00 23.21 N ATOM 0 H LYS A 22 11.576 -3.473 -2.966 1.00 41.30 H new ATOM 0 HA LYS A 22 13.370 -4.444 -1.134 1.00 20.02 H new ATOM 0 HB2 LYS A 22 12.046 -2.141 -1.443 1.00 45.14 H new ATOM 0 HB3 LYS A 22 11.009 -2.825 -0.207 1.00 45.14 H new ATOM 0 HG2 LYS A 22 12.515 -1.700 1.123 1.00 53.04 H new ATOM 0 HG3 LYS A 22 13.295 -3.268 1.056 1.00 53.04 H new ATOM 0 HD2 LYS A 22 14.623 -2.404 -0.951 1.00 44.43 H new ATOM 0 HD3 LYS A 22 13.966 -0.816 -0.611 1.00 44.43 H new ATOM 0 HE2 LYS A 22 15.210 -0.546 1.316 1.00 13.54 H new ATOM 0 HE3 LYS A 22 15.190 -2.255 1.704 1.00 13.54 H new ATOM 0 HZ1 LYS A 22 17.393 -1.528 1.059 1.00 23.21 H new ATOM 0 HZ2 LYS A 22 16.798 -2.648 -0.070 1.00 23.21 H new ATOM 0 HZ3 LYS A 22 16.817 -0.993 -0.446 1.00 23.21 H new ATOM 314 N LEU A 23 10.384 -5.665 -0.671 1.00 73.00 N ATOM 315 CA LEU A 23 9.614 -6.653 0.075 1.00 0.14 C ATOM 316 C LEU A 23 10.179 -8.054 -0.131 1.00 2.11 C ATOM 317 O LEU A 23 10.292 -8.834 0.814 1.00 43.32 O ATOM 318 CB LEU A 23 8.145 -6.614 -0.354 1.00 61.34 C ATOM 319 CG LEU A 23 7.358 -5.368 0.053 1.00 22.23 C ATOM 320 CD1 LEU A 23 6.035 -5.304 -0.693 1.00 42.31 C ATOM 321 CD2 LEU A 23 7.127 -5.353 1.558 1.00 64.14 C ATOM 0 H LEU A 23 9.909 -5.294 -1.494 1.00 73.00 H new ATOM 0 HA LEU A 23 9.684 -6.406 1.134 1.00 0.14 H new ATOM 0 HB2 LEU A 23 8.102 -6.708 -1.439 1.00 61.34 H new ATOM 0 HB3 LEU A 23 7.643 -7.488 0.062 1.00 61.34 H new ATOM 0 HG LEU A 23 7.943 -4.488 -0.214 1.00 22.23 H new ATOM 0 HD11 LEU A 23 5.489 -4.410 -0.390 1.00 42.31 H new ATOM 0 HD12 LEU A 23 6.224 -5.268 -1.766 1.00 42.31 H new ATOM 0 HD13 LEU A 23 5.442 -6.188 -0.459 1.00 42.31 H new ATOM 0 HD21 LEU A 23 6.565 -4.460 1.831 1.00 64.14 H new ATOM 0 HD22 LEU A 23 6.563 -6.239 1.848 1.00 64.14 H new ATOM 0 HD23 LEU A 23 8.087 -5.350 2.073 1.00 64.14 H new ATOM 333 N ASN A 24 10.535 -8.366 -1.373 1.00 41.15 N ATOM 334 CA ASN A 24 11.091 -9.673 -1.704 1.00 2.05 C ATOM 335 C ASN A 24 12.317 -9.975 -0.847 1.00 22.11 C ATOM 336 O ASN A 24 12.667 -11.136 -0.634 1.00 41.04 O ATOM 337 CB ASN A 24 11.465 -9.732 -3.186 1.00 54.43 C ATOM 338 CG ASN A 24 10.369 -10.349 -4.034 1.00 31.11 C ATOM 339 OD1 ASN A 24 10.120 -11.553 -3.965 1.00 52.34 O ATOM 340 ND2 ASN A 24 9.709 -9.525 -4.840 1.00 64.32 N ATOM 0 H ASN A 24 10.448 -7.731 -2.167 1.00 41.15 H new ATOM 0 HA ASN A 24 10.330 -10.426 -1.498 1.00 2.05 H new ATOM 0 HB2 ASN A 24 11.675 -8.725 -3.545 1.00 54.43 H new ATOM 0 HB3 ASN A 24 12.381 -10.310 -3.304 1.00 54.43 H new ATOM 0 HD21 ASN A 24 8.962 -9.883 -5.435 1.00 64.32 H new ATOM 0 HD22 ASN A 24 9.949 -8.534 -4.864 1.00 64.32 H new ATOM 347 N GLU A 25 12.966 -8.922 -0.357 1.00 75.43 N ATOM 348 CA GLU A 25 14.152 -9.076 0.476 1.00 42.21 C ATOM 349 C GLU A 25 13.777 -9.572 1.870 1.00 63.45 C ATOM 350 O GLU A 25 14.490 -10.382 2.463 1.00 21.21 O ATOM 351 CB GLU A 25 14.904 -7.747 0.582 1.00 72.14 C ATOM 352 CG GLU A 25 15.217 -7.117 -0.765 1.00 41.12 C ATOM 353 CD GLU A 25 16.690 -6.799 -0.931 1.00 52.11 C ATOM 354 OE1 GLU A 25 17.208 -5.963 -0.161 1.00 14.32 O ATOM 355 OE2 GLU A 25 17.325 -7.387 -1.830 1.00 63.13 O ATOM 0 H GLU A 25 12.690 -7.954 -0.523 1.00 75.43 H new ATOM 0 HA GLU A 25 14.800 -9.816 0.007 1.00 42.21 H new ATOM 0 HB2 GLU A 25 14.310 -7.049 1.171 1.00 72.14 H new ATOM 0 HB3 GLU A 25 15.836 -7.908 1.124 1.00 72.14 H new ATOM 0 HG2 GLU A 25 14.903 -7.793 -1.560 1.00 41.12 H new ATOM 0 HG3 GLU A 25 14.636 -6.201 -0.878 1.00 41.12 H new ATOM 362 N SER A 26 12.655 -9.082 2.384 1.00 14.12 N ATOM 363 CA SER A 26 12.187 -9.472 3.710 1.00 64.43 C ATOM 364 C SER A 26 11.524 -10.845 3.668 1.00 13.35 C ATOM 365 O SER A 26 10.383 -10.981 3.227 1.00 34.32 O ATOM 366 CB SER A 26 11.204 -8.434 4.253 1.00 61.11 C ATOM 367 OG SER A 26 11.368 -8.256 5.649 1.00 23.12 O ATOM 0 H SER A 26 12.052 -8.414 1.903 1.00 14.12 H new ATOM 0 HA SER A 26 13.051 -9.524 4.373 1.00 64.43 H new ATOM 0 HB2 SER A 26 11.356 -7.483 3.742 1.00 61.11 H new ATOM 0 HB3 SER A 26 10.183 -8.750 4.041 1.00 61.11 H new ATOM 0 HG SER A 26 10.729 -7.586 5.971 1.00 23.12 H new ATOM 373 N GLU A 27 12.247 -11.860 4.132 1.00 2.24 N ATOM 374 CA GLU A 27 11.728 -13.222 4.149 1.00 42.14 C ATOM 375 C GLU A 27 10.486 -13.322 5.028 1.00 23.13 C ATOM 376 O GLU A 27 9.482 -13.918 4.639 1.00 43.12 O ATOM 377 CB GLU A 27 12.801 -14.193 4.648 1.00 72.34 C ATOM 378 CG GLU A 27 12.422 -15.655 4.483 1.00 33.42 C ATOM 379 CD GLU A 27 12.790 -16.493 5.692 1.00 75.13 C ATOM 380 OE1 GLU A 27 12.219 -16.253 6.777 1.00 71.02 O ATOM 381 OE2 GLU A 27 13.647 -17.390 5.553 1.00 64.20 O ATOM 0 H GLU A 27 13.193 -11.764 4.501 1.00 2.24 H new ATOM 0 HA GLU A 27 11.450 -13.490 3.130 1.00 42.14 H new ATOM 0 HB2 GLU A 27 13.729 -14.004 4.109 1.00 72.34 H new ATOM 0 HB3 GLU A 27 12.998 -13.994 5.701 1.00 72.34 H new ATOM 0 HG2 GLU A 27 11.349 -15.731 4.306 1.00 33.42 H new ATOM 0 HG3 GLU A 27 12.920 -16.058 3.601 1.00 33.42 H new ATOM 388 N ALA A 28 10.563 -12.734 6.218 1.00 35.14 N ATOM 389 CA ALA A 28 9.445 -12.755 7.153 1.00 24.55 C ATOM 390 C ALA A 28 8.137 -12.401 6.455 1.00 73.34 C ATOM 391 O ALA A 28 7.138 -13.108 6.590 1.00 24.31 O ATOM 392 CB ALA A 28 9.705 -11.798 8.307 1.00 35.35 C ATOM 0 H ALA A 28 11.387 -12.238 6.557 1.00 35.14 H new ATOM 0 HA ALA A 28 9.353 -13.767 7.547 1.00 24.55 H new ATOM 0 HB1 ALA A 28 8.862 -11.824 8.998 1.00 35.35 H new ATOM 0 HB2 ALA A 28 10.613 -12.098 8.831 1.00 35.35 H new ATOM 0 HB3 ALA A 28 9.827 -10.786 7.920 1.00 35.35 H new ATOM 398 N TYR A 29 8.150 -11.303 5.707 1.00 14.32 N ATOM 399 CA TYR A 29 6.963 -10.853 4.990 1.00 52.43 C ATOM 400 C TYR A 29 6.419 -11.958 4.089 1.00 25.34 C ATOM 401 O TYR A 29 5.266 -12.369 4.220 1.00 25.55 O ATOM 402 CB TYR A 29 7.287 -9.612 4.154 1.00 34.33 C ATOM 403 CG TYR A 29 6.239 -9.296 3.111 1.00 43.32 C ATOM 404 CD1 TYR A 29 4.888 -9.281 3.437 1.00 12.41 C ATOM 405 CD2 TYR A 29 6.599 -9.012 1.799 1.00 23.04 C ATOM 406 CE1 TYR A 29 3.928 -8.992 2.487 1.00 71.02 C ATOM 407 CE2 TYR A 29 5.646 -8.721 0.843 1.00 13.13 C ATOM 408 CZ TYR A 29 4.311 -8.712 1.192 1.00 62.33 C ATOM 409 OH TYR A 29 3.358 -8.424 0.242 1.00 71.21 O ATOM 0 H TYR A 29 8.969 -10.708 5.582 1.00 14.32 H new ATOM 0 HA TYR A 29 6.199 -10.600 5.725 1.00 52.43 H new ATOM 0 HB2 TYR A 29 7.397 -8.755 4.818 1.00 34.33 H new ATOM 0 HB3 TYR A 29 8.248 -9.757 3.660 1.00 34.33 H new ATOM 0 HD1 TYR A 29 4.584 -9.499 4.450 1.00 12.41 H new ATOM 0 HD2 TYR A 29 7.643 -9.019 1.522 1.00 23.04 H new ATOM 0 HE1 TYR A 29 2.882 -8.985 2.757 1.00 71.02 H new ATOM 0 HE2 TYR A 29 5.944 -8.502 -0.172 1.00 13.13 H new ATOM 0 HH TYR A 29 3.795 -8.249 -0.618 1.00 71.21 H new ATOM 419 N ARG A 30 7.259 -12.436 3.176 1.00 1.13 N ATOM 420 CA ARG A 30 6.864 -13.493 2.254 1.00 22.15 C ATOM 421 C ARG A 30 6.120 -14.605 2.988 1.00 44.43 C ATOM 422 O ARG A 30 5.049 -15.037 2.561 1.00 71.23 O ATOM 423 CB ARG A 30 8.093 -14.068 1.547 1.00 42.05 C ATOM 424 CG ARG A 30 7.931 -14.179 0.040 1.00 65.51 C ATOM 425 CD ARG A 30 7.464 -15.568 -0.368 1.00 73.41 C ATOM 426 NE ARG A 30 7.995 -15.965 -1.669 1.00 0.51 N ATOM 427 CZ ARG A 30 7.585 -17.039 -2.335 1.00 11.43 C ATOM 428 NH1 ARG A 30 6.642 -17.819 -1.824 1.00 44.21 N ATOM 429 NH2 ARG A 30 8.118 -17.333 -3.514 1.00 53.11 N ATOM 0 H ARG A 30 8.217 -12.108 3.056 1.00 1.13 H new ATOM 0 HA ARG A 30 6.194 -13.060 1.511 1.00 22.15 H new ATOM 0 HB2 ARG A 30 8.956 -13.439 1.766 1.00 42.05 H new ATOM 0 HB3 ARG A 30 8.308 -15.056 1.955 1.00 42.05 H new ATOM 0 HG2 ARG A 30 7.212 -13.436 -0.306 1.00 65.51 H new ATOM 0 HG3 ARG A 30 8.880 -13.955 -0.447 1.00 65.51 H new ATOM 0 HD2 ARG A 30 7.775 -16.291 0.386 1.00 73.41 H new ATOM 0 HD3 ARG A 30 6.375 -15.589 -0.400 1.00 73.41 H new ATOM 0 HE ARG A 30 8.721 -15.385 -2.090 1.00 0.51 H new ATOM 0 HH11 ARG A 30 6.230 -17.595 -0.918 1.00 44.21 H new ATOM 0 HH12 ARG A 30 6.329 -18.643 -2.337 1.00 44.21 H new ATOM 0 HH21 ARG A 30 8.843 -16.734 -3.910 1.00 53.11 H new ATOM 0 HH22 ARG A 30 7.803 -18.158 -4.025 1.00 53.11 H new ATOM 443 N LYS A 31 6.695 -15.065 4.094 1.00 11.43 N ATOM 444 CA LYS A 31 6.087 -16.125 4.889 1.00 25.10 C ATOM 445 C LYS A 31 4.779 -15.655 5.515 1.00 11.51 C ATOM 446 O LYS A 31 3.812 -16.410 5.597 1.00 34.33 O ATOM 447 CB LYS A 31 7.052 -16.587 5.984 1.00 1.41 C ATOM 448 CG LYS A 31 8.414 -17.006 5.458 1.00 51.24 C ATOM 449 CD LYS A 31 9.070 -18.033 6.363 1.00 14.05 C ATOM 450 CE LYS A 31 9.434 -19.297 5.601 1.00 63.52 C ATOM 451 NZ LYS A 31 9.824 -20.405 6.517 1.00 12.02 N ATOM 0 H LYS A 31 7.582 -14.720 4.460 1.00 11.43 H new ATOM 0 HA LYS A 31 5.871 -16.963 4.226 1.00 25.10 H new ATOM 0 HB2 LYS A 31 7.183 -15.780 6.705 1.00 1.41 H new ATOM 0 HB3 LYS A 31 6.606 -17.424 6.520 1.00 1.41 H new ATOM 0 HG2 LYS A 31 8.306 -17.420 4.455 1.00 51.24 H new ATOM 0 HG3 LYS A 31 9.058 -16.130 5.374 1.00 51.24 H new ATOM 0 HD2 LYS A 31 9.968 -17.605 6.810 1.00 14.05 H new ATOM 0 HD3 LYS A 31 8.395 -18.282 7.181 1.00 14.05 H new ATOM 0 HE2 LYS A 31 8.586 -19.611 4.992 1.00 63.52 H new ATOM 0 HE3 LYS A 31 10.256 -19.085 4.917 1.00 63.52 H new ATOM 0 HZ1 LYS A 31 10.065 -21.249 5.959 1.00 12.02 H new ATOM 0 HZ2 LYS A 31 10.649 -20.116 7.080 1.00 12.02 H new ATOM 0 HZ3 LYS A 31 9.031 -20.625 7.153 1.00 12.02 H new ATOM 465 N ALA A 32 4.756 -14.400 5.955 1.00 35.11 N ATOM 466 CA ALA A 32 3.565 -13.828 6.571 1.00 13.13 C ATOM 467 C ALA A 32 2.394 -13.816 5.594 1.00 53.01 C ATOM 468 O ALA A 32 1.276 -14.189 5.946 1.00 22.44 O ATOM 469 CB ALA A 32 3.853 -12.420 7.070 1.00 40.24 C ATOM 0 H ALA A 32 5.549 -13.761 5.896 1.00 35.11 H new ATOM 0 HA ALA A 32 3.289 -14.453 7.420 1.00 13.13 H new ATOM 0 HB1 ALA A 32 2.955 -12.005 7.528 1.00 40.24 H new ATOM 0 HB2 ALA A 32 4.654 -12.452 7.808 1.00 40.24 H new ATOM 0 HB3 ALA A 32 4.156 -11.792 6.232 1.00 40.24 H new ATOM 475 N ALA A 33 2.658 -13.383 4.366 1.00 44.34 N ATOM 476 CA ALA A 33 1.627 -13.323 3.338 1.00 14.10 C ATOM 477 C ALA A 33 1.770 -14.475 2.348 1.00 1.52 C ATOM 478 O ALA A 33 1.533 -14.310 1.152 1.00 64.24 O ATOM 479 CB ALA A 33 1.683 -11.989 2.609 1.00 23.23 C ATOM 0 H ALA A 33 3.578 -13.068 4.059 1.00 44.34 H new ATOM 0 HA ALA A 33 0.657 -13.416 3.827 1.00 14.10 H new ATOM 0 HB1 ALA A 33 0.907 -11.959 1.844 1.00 23.23 H new ATOM 0 HB2 ALA A 33 1.523 -11.179 3.320 1.00 23.23 H new ATOM 0 HB3 ALA A 33 2.660 -11.872 2.139 1.00 23.23 H new ATOM 485 N SER A 34 2.161 -15.639 2.856 1.00 34.50 N ATOM 486 CA SER A 34 2.340 -16.817 2.016 1.00 62.54 C ATOM 487 C SER A 34 1.004 -17.288 1.445 1.00 4.33 C ATOM 488 O SER A 34 -0.001 -17.345 2.154 1.00 70.52 O ATOM 489 CB SER A 34 2.991 -17.947 2.816 1.00 52.22 C ATOM 490 OG SER A 34 4.127 -18.460 2.143 1.00 22.30 O ATOM 0 H SER A 34 2.360 -15.792 3.845 1.00 34.50 H new ATOM 0 HA SER A 34 2.993 -16.544 1.187 1.00 62.54 H new ATOM 0 HB2 SER A 34 3.283 -17.579 3.800 1.00 52.22 H new ATOM 0 HB3 SER A 34 2.268 -18.747 2.976 1.00 52.22 H new ATOM 0 HG SER A 34 4.526 -19.180 2.676 1.00 22.30 H new ATOM 496 N THR A 35 1.002 -17.622 0.159 1.00 50.40 N ATOM 497 CA THR A 35 -0.207 -18.085 -0.509 1.00 15.25 C ATOM 498 C THR A 35 -1.233 -16.963 -0.627 1.00 73.04 C ATOM 499 O THR A 35 -2.408 -17.210 -0.899 1.00 75.43 O ATOM 500 CB THR A 35 -0.845 -19.269 0.242 1.00 65.43 C ATOM 501 OG1 THR A 35 0.162 -20.228 0.586 1.00 74.13 O ATOM 502 CG2 THR A 35 -1.917 -19.934 -0.608 1.00 33.33 C ATOM 0 H THR A 35 1.826 -17.580 -0.441 1.00 50.40 H new ATOM 0 HA THR A 35 0.088 -18.412 -1.506 1.00 15.25 H new ATOM 0 HB THR A 35 -1.310 -18.888 1.151 1.00 65.43 H new ATOM 0 HG1 THR A 35 -0.250 -20.977 1.065 1.00 74.13 H new ATOM 0 HG21 THR A 35 -2.353 -20.767 -0.057 1.00 33.33 H new ATOM 0 HG22 THR A 35 -2.695 -19.209 -0.845 1.00 33.33 H new ATOM 0 HG23 THR A 35 -1.472 -20.303 -1.532 1.00 33.33 H new ATOM 510 N TRP A 36 -0.782 -15.731 -0.423 1.00 60.14 N ATOM 511 CA TRP A 36 -1.662 -14.570 -0.509 1.00 22.54 C ATOM 512 C TRP A 36 -2.440 -14.573 -1.820 1.00 43.53 C ATOM 513 O TRP A 36 -3.669 -14.595 -1.822 1.00 74.00 O ATOM 514 CB TRP A 36 -0.851 -13.279 -0.383 1.00 71.44 C ATOM 515 CG TRP A 36 -1.498 -12.106 -1.053 1.00 12.44 C ATOM 516 CD1 TRP A 36 -1.099 -11.500 -2.210 1.00 53.33 C ATOM 517 CD2 TRP A 36 -2.657 -11.394 -0.605 1.00 24.34 C ATOM 518 NE1 TRP A 36 -1.940 -10.455 -2.508 1.00 2.20 N ATOM 519 CE2 TRP A 36 -2.905 -10.369 -1.539 1.00 71.12 C ATOM 520 CE3 TRP A 36 -3.511 -11.524 0.493 1.00 70.23 C ATOM 521 CZ2 TRP A 36 -3.969 -9.481 -1.406 1.00 64.43 C ATOM 522 CZ3 TRP A 36 -4.567 -10.642 0.624 1.00 62.23 C ATOM 523 CH2 TRP A 36 -4.788 -9.632 -0.322 1.00 15.51 C ATOM 0 H TRP A 36 0.188 -15.509 -0.197 1.00 60.14 H new ATOM 0 HA TRP A 36 -2.375 -14.623 0.314 1.00 22.54 H new ATOM 0 HB2 TRP A 36 -0.706 -13.051 0.673 1.00 71.44 H new ATOM 0 HB3 TRP A 36 0.138 -13.435 -0.814 1.00 71.44 H new ATOM 0 HD1 TRP A 36 -0.247 -11.798 -2.804 1.00 53.33 H new ATOM 0 HE1 TRP A 36 -1.859 -9.842 -3.319 1.00 2.20 H new ATOM 0 HE3 TRP A 36 -3.349 -12.300 1.226 1.00 70.23 H new ATOM 0 HZ2 TRP A 36 -4.141 -8.701 -2.133 1.00 64.43 H new ATOM 0 HZ3 TRP A 36 -5.233 -10.733 1.469 1.00 62.23 H new ATOM 0 HH2 TRP A 36 -5.623 -8.959 -0.192 1.00 15.51 H new ATOM 534 N GLU A 37 -1.714 -14.548 -2.933 1.00 52.42 N ATOM 535 CA GLU A 37 -2.337 -14.546 -4.252 1.00 15.20 C ATOM 536 C GLU A 37 -3.165 -13.281 -4.460 1.00 71.23 C ATOM 537 O GLU A 37 -3.939 -12.882 -3.592 1.00 35.13 O ATOM 538 CB GLU A 37 -3.223 -15.782 -4.423 1.00 54.53 C ATOM 539 CG GLU A 37 -2.531 -17.083 -4.055 1.00 23.32 C ATOM 540 CD GLU A 37 -3.496 -18.249 -3.955 1.00 24.02 C ATOM 541 OE1 GLU A 37 -3.832 -18.831 -5.007 1.00 64.50 O ATOM 542 OE2 GLU A 37 -3.913 -18.579 -2.826 1.00 63.13 O ATOM 0 H GLU A 37 -0.694 -14.529 -2.948 1.00 52.42 H new ATOM 0 HA GLU A 37 -1.545 -14.569 -5.000 1.00 15.20 H new ATOM 0 HB2 GLU A 37 -4.114 -15.668 -3.806 1.00 54.53 H new ATOM 0 HB3 GLU A 37 -3.557 -15.839 -5.459 1.00 54.53 H new ATOM 0 HG2 GLU A 37 -1.770 -17.309 -4.802 1.00 23.32 H new ATOM 0 HG3 GLU A 37 -2.016 -16.960 -3.102 1.00 23.32 H new ATOM 549 N GLY A 38 -2.993 -12.653 -5.620 1.00 52.23 N ATOM 550 CA GLY A 38 -3.729 -11.439 -5.922 1.00 72.13 C ATOM 551 C GLY A 38 -2.876 -10.194 -5.784 1.00 13.11 C ATOM 552 O GLY A 38 -1.875 -10.196 -5.067 1.00 14.22 O ATOM 0 H GLY A 38 -2.358 -12.963 -6.355 1.00 52.23 H new ATOM 0 HA2 GLY A 38 -4.119 -11.498 -6.938 1.00 72.13 H new ATOM 0 HA3 GLY A 38 -4.588 -11.363 -5.255 1.00 72.13 H new ATOM 556 N SER A 39 -3.271 -9.129 -6.474 1.00 2.43 N ATOM 557 CA SER A 39 -2.532 -7.873 -6.430 1.00 4.00 C ATOM 558 C SER A 39 -3.279 -6.832 -5.602 1.00 40.24 C ATOM 559 O SER A 39 -4.510 -6.777 -5.616 1.00 64.35 O ATOM 560 CB SER A 39 -2.297 -7.344 -7.846 1.00 10.20 C ATOM 561 OG SER A 39 -3.486 -6.792 -8.387 1.00 63.22 O ATOM 0 H SER A 39 -4.099 -9.111 -7.070 1.00 2.43 H new ATOM 0 HA SER A 39 -1.568 -8.064 -5.958 1.00 4.00 H new ATOM 0 HB2 SER A 39 -1.515 -6.585 -7.829 1.00 10.20 H new ATOM 0 HB3 SER A 39 -1.943 -8.152 -8.486 1.00 10.20 H new ATOM 0 HG SER A 39 -3.310 -6.459 -9.292 1.00 63.22 H new ATOM 567 N LEU A 40 -2.528 -6.005 -4.883 1.00 22.51 N ATOM 568 CA LEU A 40 -3.118 -4.964 -4.049 1.00 22.13 C ATOM 569 C LEU A 40 -2.989 -3.597 -4.712 1.00 50.13 C ATOM 570 O LEU A 40 -2.055 -3.351 -5.475 1.00 60.11 O ATOM 571 CB LEU A 40 -2.446 -4.942 -2.675 1.00 2.13 C ATOM 572 CG LEU A 40 -2.739 -3.721 -1.803 1.00 54.25 C ATOM 573 CD1 LEU A 40 -4.129 -3.823 -1.191 1.00 64.24 C ATOM 574 CD2 LEU A 40 -1.685 -3.574 -0.716 1.00 60.35 C ATOM 0 H LEU A 40 -1.509 -6.035 -4.861 1.00 22.51 H new ATOM 0 HA LEU A 40 -4.177 -5.189 -3.925 1.00 22.13 H new ATOM 0 HB2 LEU A 40 -2.751 -5.835 -2.129 1.00 2.13 H new ATOM 0 HB3 LEU A 40 -1.368 -5.010 -2.819 1.00 2.13 H new ATOM 0 HG LEU A 40 -2.706 -2.833 -2.434 1.00 54.25 H new ATOM 0 HD11 LEU A 40 -4.320 -2.945 -0.574 1.00 64.24 H new ATOM 0 HD12 LEU A 40 -4.873 -3.877 -1.985 1.00 64.24 H new ATOM 0 HD13 LEU A 40 -4.190 -4.720 -0.575 1.00 64.24 H new ATOM 0 HD21 LEU A 40 -1.911 -2.699 -0.106 1.00 60.35 H new ATOM 0 HD22 LEU A 40 -1.684 -4.464 -0.087 1.00 60.35 H new ATOM 0 HD23 LEU A 40 -0.704 -3.453 -1.175 1.00 60.35 H new ATOM 586 N ALA A 41 -3.933 -2.709 -4.416 1.00 22.44 N ATOM 587 CA ALA A 41 -3.923 -1.366 -4.980 1.00 21.44 C ATOM 588 C ALA A 41 -4.282 -0.325 -3.925 1.00 4.12 C ATOM 589 O ALA A 41 -5.319 -0.424 -3.267 1.00 3.23 O ATOM 590 CB ALA A 41 -4.884 -1.281 -6.156 1.00 53.51 C ATOM 0 H ALA A 41 -4.715 -2.897 -3.788 1.00 22.44 H new ATOM 0 HA ALA A 41 -2.914 -1.154 -5.333 1.00 21.44 H new ATOM 0 HB1 ALA A 41 -4.867 -0.272 -6.568 1.00 53.51 H new ATOM 0 HB2 ALA A 41 -4.582 -1.992 -6.925 1.00 53.51 H new ATOM 0 HB3 ALA A 41 -5.893 -1.518 -5.819 1.00 53.51 H new ATOM 596 N LEU A 42 -3.418 0.672 -3.767 1.00 1.32 N ATOM 597 CA LEU A 42 -3.643 1.733 -2.790 1.00 71.52 C ATOM 598 C LEU A 42 -4.025 3.038 -3.481 1.00 64.35 C ATOM 599 O LEU A 42 -3.158 3.805 -3.901 1.00 71.14 O ATOM 600 CB LEU A 42 -2.391 1.941 -1.937 1.00 22.12 C ATOM 601 CG LEU A 42 -1.835 0.695 -1.246 1.00 63.10 C ATOM 602 CD1 LEU A 42 -0.364 0.885 -0.906 1.00 74.41 C ATOM 603 CD2 LEU A 42 -2.637 0.378 0.008 1.00 41.10 C ATOM 0 H LEU A 42 -2.555 0.768 -4.303 1.00 1.32 H new ATOM 0 HA LEU A 42 -4.468 1.431 -2.145 1.00 71.52 H new ATOM 0 HB2 LEU A 42 -1.609 2.360 -2.571 1.00 22.12 H new ATOM 0 HB3 LEU A 42 -2.615 2.686 -1.173 1.00 22.12 H new ATOM 0 HG LEU A 42 -1.923 -0.147 -1.932 1.00 63.10 H new ATOM 0 HD11 LEU A 42 0.015 -0.011 -0.415 1.00 74.41 H new ATOM 0 HD12 LEU A 42 0.201 1.064 -1.821 1.00 74.41 H new ATOM 0 HD13 LEU A 42 -0.252 1.739 -0.238 1.00 74.41 H new ATOM 0 HD21 LEU A 42 -2.227 -0.511 0.487 1.00 41.10 H new ATOM 0 HD22 LEU A 42 -2.581 1.220 0.698 1.00 41.10 H new ATOM 0 HD23 LEU A 42 -3.678 0.198 -0.261 1.00 41.10 H new ATOM 615 N ALA A 43 -5.326 3.284 -3.594 1.00 63.54 N ATOM 616 CA ALA A 43 -5.821 4.498 -4.230 1.00 40.14 C ATOM 617 C ALA A 43 -5.933 5.639 -3.224 1.00 62.34 C ATOM 618 O ALA A 43 -6.356 5.436 -2.086 1.00 54.34 O ATOM 619 CB ALA A 43 -7.168 4.237 -4.888 1.00 13.15 C ATOM 0 H ALA A 43 -6.056 2.658 -3.253 1.00 63.54 H new ATOM 0 HA ALA A 43 -5.106 4.795 -4.997 1.00 40.14 H new ATOM 0 HB1 ALA A 43 -7.526 5.152 -5.359 1.00 13.15 H new ATOM 0 HB2 ALA A 43 -7.059 3.459 -5.643 1.00 13.15 H new ATOM 0 HB3 ALA A 43 -7.885 3.913 -4.133 1.00 13.15 H new ATOM 625 N VAL A 44 -5.550 6.837 -3.650 1.00 54.23 N ATOM 626 CA VAL A 44 -5.609 8.010 -2.787 1.00 4.52 C ATOM 627 C VAL A 44 -6.596 9.041 -3.324 1.00 31.44 C ATOM 628 O VAL A 44 -6.467 9.508 -4.455 1.00 15.50 O ATOM 629 CB VAL A 44 -4.224 8.671 -2.643 1.00 32.44 C ATOM 630 CG1 VAL A 44 -4.350 10.042 -1.997 1.00 32.14 C ATOM 631 CG2 VAL A 44 -3.289 7.778 -1.840 1.00 32.41 C ATOM 0 H VAL A 44 -5.195 7.021 -4.588 1.00 54.23 H new ATOM 0 HA VAL A 44 -5.944 7.665 -1.809 1.00 4.52 H new ATOM 0 HB VAL A 44 -3.799 8.803 -3.638 1.00 32.44 H new ATOM 0 HG11 VAL A 44 -3.362 10.493 -1.904 1.00 32.14 H new ATOM 0 HG12 VAL A 44 -4.982 10.679 -2.615 1.00 32.14 H new ATOM 0 HG13 VAL A 44 -4.796 9.939 -1.008 1.00 32.14 H new ATOM 0 HG21 VAL A 44 -2.316 8.260 -1.748 1.00 32.41 H new ATOM 0 HG22 VAL A 44 -3.707 7.613 -0.847 1.00 32.41 H new ATOM 0 HG23 VAL A 44 -3.173 6.821 -2.349 1.00 32.41 H new ATOM 641 N ARG A 45 -7.583 9.388 -2.504 1.00 41.24 N ATOM 642 CA ARG A 45 -8.594 10.362 -2.897 1.00 11.14 C ATOM 643 C ARG A 45 -7.945 11.627 -3.452 1.00 24.04 C ATOM 644 O ARG A 45 -6.878 12.052 -3.008 1.00 41.41 O ATOM 645 CB ARG A 45 -9.485 10.715 -1.703 1.00 64.21 C ATOM 646 CG ARG A 45 -10.633 9.743 -1.492 1.00 61.13 C ATOM 647 CD ARG A 45 -11.937 10.473 -1.214 1.00 13.32 C ATOM 648 NE ARG A 45 -13.100 9.610 -1.404 1.00 63.30 N ATOM 649 CZ ARG A 45 -14.350 10.001 -1.180 1.00 65.54 C ATOM 650 NH1 ARG A 45 -14.597 11.234 -0.762 1.00 35.12 N ATOM 651 NH2 ARG A 45 -15.355 9.158 -1.377 1.00 74.20 N ATOM 0 H ARG A 45 -7.704 9.010 -1.565 1.00 41.24 H new ATOM 0 HA ARG A 45 -9.207 9.915 -3.680 1.00 11.14 H new ATOM 0 HB2 ARG A 45 -8.874 10.744 -0.801 1.00 64.21 H new ATOM 0 HB3 ARG A 45 -9.890 11.717 -1.846 1.00 64.21 H new ATOM 0 HG2 ARG A 45 -10.747 9.116 -2.376 1.00 61.13 H new ATOM 0 HG3 ARG A 45 -10.401 9.080 -0.659 1.00 61.13 H new ATOM 0 HD2 ARG A 45 -11.930 10.851 -0.192 1.00 13.32 H new ATOM 0 HD3 ARG A 45 -12.016 11.338 -1.873 1.00 13.32 H new ATOM 0 HE ARG A 45 -12.944 8.655 -1.726 1.00 63.30 H new ATOM 0 HH11 ARG A 45 -13.827 11.885 -0.611 1.00 35.12 H new ATOM 0 HH12 ARG A 45 -15.557 11.532 -0.591 1.00 35.12 H new ATOM 0 HH21 ARG A 45 -15.169 8.209 -1.701 1.00 74.20 H new ATOM 0 HH22 ARG A 45 -16.314 9.459 -1.205 1.00 74.20 H new ATOM 665 N PRO A 46 -8.602 12.243 -4.446 1.00 61.51 N ATOM 666 CA PRO A 46 -8.107 13.466 -5.083 1.00 10.34 C ATOM 667 C PRO A 46 -8.182 14.674 -4.154 1.00 41.31 C ATOM 668 O PRO A 46 -9.219 14.938 -3.545 1.00 71.53 O ATOM 669 CB PRO A 46 -9.049 13.651 -6.276 1.00 25.15 C ATOM 670 CG PRO A 46 -10.303 12.953 -5.880 1.00 21.44 C ATOM 671 CD PRO A 46 -9.879 11.792 -5.024 1.00 60.53 C ATOM 0 HA PRO A 46 -7.056 13.384 -5.360 1.00 10.34 H new ATOM 0 HB2 PRO A 46 -9.230 14.707 -6.477 1.00 25.15 H new ATOM 0 HB3 PRO A 46 -8.627 13.221 -7.184 1.00 25.15 H new ATOM 0 HG2 PRO A 46 -10.965 13.622 -5.330 1.00 21.44 H new ATOM 0 HG3 PRO A 46 -10.853 12.611 -6.757 1.00 21.44 H new ATOM 0 HD2 PRO A 46 -10.615 11.573 -4.251 1.00 60.53 H new ATOM 0 HD3 PRO A 46 -9.755 10.883 -5.613 1.00 60.53 H new ATOM 679 N ASP A 47 -7.077 15.404 -4.050 1.00 43.00 N ATOM 680 CA ASP A 47 -7.017 16.584 -3.197 1.00 55.43 C ATOM 681 C ASP A 47 -5.845 17.479 -3.587 1.00 41.43 C ATOM 682 O ASP A 47 -4.742 17.010 -3.869 1.00 41.50 O ATOM 683 CB ASP A 47 -6.895 16.174 -1.729 1.00 70.54 C ATOM 684 CG ASP A 47 -7.835 16.953 -0.830 1.00 34.54 C ATOM 685 OD1 ASP A 47 -9.041 16.628 -0.808 1.00 63.11 O ATOM 686 OD2 ASP A 47 -7.365 17.888 -0.148 1.00 30.14 O ATOM 0 H ASP A 47 -6.210 15.199 -4.547 1.00 43.00 H new ATOM 0 HA ASP A 47 -7.941 17.146 -3.333 1.00 55.43 H new ATOM 0 HB2 ASP A 47 -7.105 15.109 -1.634 1.00 70.54 H new ATOM 0 HB3 ASP A 47 -5.868 16.327 -1.396 1.00 70.54 H new ATOM 691 N PRO A 48 -6.087 18.798 -3.605 1.00 42.14 N ATOM 692 CA PRO A 48 -5.063 19.786 -3.959 1.00 70.14 C ATOM 693 C PRO A 48 -3.975 19.900 -2.898 1.00 35.15 C ATOM 694 O PRO A 48 -2.805 20.117 -3.213 1.00 33.25 O ATOM 695 CB PRO A 48 -5.851 21.094 -4.060 1.00 35.40 C ATOM 696 CG PRO A 48 -7.038 20.890 -3.183 1.00 73.53 C ATOM 697 CD PRO A 48 -7.378 19.428 -3.280 1.00 32.33 C ATOM 0 HA PRO A 48 -4.538 19.517 -4.876 1.00 70.14 H new ATOM 0 HB2 PRO A 48 -5.254 21.943 -3.727 1.00 35.40 H new ATOM 0 HB3 PRO A 48 -6.149 21.298 -5.088 1.00 35.40 H new ATOM 0 HG2 PRO A 48 -6.816 21.172 -2.154 1.00 73.53 H new ATOM 0 HG3 PRO A 48 -7.875 21.508 -3.509 1.00 73.53 H new ATOM 0 HD2 PRO A 48 -7.786 19.047 -2.344 1.00 32.33 H new ATOM 0 HD3 PRO A 48 -8.123 19.239 -4.053 1.00 32.33 H new ATOM 705 N LYS A 49 -4.369 19.753 -1.636 1.00 63.14 N ATOM 706 CA LYS A 49 -3.427 19.838 -0.526 1.00 24.11 C ATOM 707 C LYS A 49 -2.151 19.061 -0.834 1.00 3.42 C ATOM 708 O LYS A 49 -1.066 19.428 -0.383 1.00 41.03 O ATOM 709 CB LYS A 49 -4.067 19.300 0.755 1.00 15.20 C ATOM 710 CG LYS A 49 -4.185 20.337 1.858 1.00 12.12 C ATOM 711 CD LYS A 49 -2.848 20.586 2.535 1.00 53.11 C ATOM 712 CE LYS A 49 -2.921 21.759 3.500 1.00 54.13 C ATOM 713 NZ LYS A 49 -1.982 21.595 4.645 1.00 54.54 N ATOM 0 H LYS A 49 -5.334 19.575 -1.357 1.00 63.14 H new ATOM 0 HA LYS A 49 -3.167 20.887 -0.383 1.00 24.11 H new ATOM 0 HB2 LYS A 49 -5.060 18.916 0.521 1.00 15.20 H new ATOM 0 HB3 LYS A 49 -3.478 18.459 1.120 1.00 15.20 H new ATOM 0 HG2 LYS A 49 -4.562 21.271 1.442 1.00 12.12 H new ATOM 0 HG3 LYS A 49 -4.912 20.001 2.598 1.00 12.12 H new ATOM 0 HD2 LYS A 49 -2.539 19.690 3.073 1.00 53.11 H new ATOM 0 HD3 LYS A 49 -2.087 20.782 1.779 1.00 53.11 H new ATOM 0 HE2 LYS A 49 -2.688 22.682 2.968 1.00 54.13 H new ATOM 0 HE3 LYS A 49 -3.939 21.857 3.877 1.00 54.13 H new ATOM 0 HZ1 LYS A 49 -2.062 22.415 5.280 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 -2.220 20.728 5.168 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 -1.008 21.527 4.288 1.00 54.54 H new ATOM 727 N ALA A 50 -2.289 17.988 -1.605 1.00 63.50 N ATOM 728 CA ALA A 50 -1.146 17.161 -1.975 1.00 53.02 C ATOM 729 C ALA A 50 -0.693 17.459 -3.400 1.00 75.40 C ATOM 730 O ALA A 50 0.482 17.306 -3.734 1.00 35.54 O ATOM 731 CB ALA A 50 -1.491 15.687 -1.826 1.00 44.02 C ATOM 0 H ALA A 50 -3.180 17.671 -1.986 1.00 63.50 H new ATOM 0 HA ALA A 50 -0.322 17.399 -1.302 1.00 53.02 H new ATOM 0 HB1 ALA A 50 -0.629 15.081 -2.106 1.00 44.02 H new ATOM 0 HB2 ALA A 50 -1.760 15.479 -0.790 1.00 44.02 H new ATOM 0 HB3 ALA A 50 -2.332 15.443 -2.475 1.00 44.02 H new ATOM 737 N GLY A 51 -1.633 17.885 -4.239 1.00 51.43 N ATOM 738 CA GLY A 51 -1.310 18.196 -5.619 1.00 43.10 C ATOM 739 C GLY A 51 -1.821 17.146 -6.586 1.00 24.33 C ATOM 740 O GLY A 51 -1.126 16.773 -7.531 1.00 22.43 O ATOM 0 H GLY A 51 -2.612 18.020 -3.987 1.00 51.43 H new ATOM 0 HA2 GLY A 51 -1.738 19.164 -5.880 1.00 43.10 H new ATOM 0 HA3 GLY A 51 -0.229 18.287 -5.724 1.00 43.10 H new ATOM 744 N PHE A 52 -3.037 16.666 -6.348 1.00 4.34 N ATOM 745 CA PHE A 52 -3.638 15.650 -7.202 1.00 52.34 C ATOM 746 C PHE A 52 -5.161 15.695 -7.112 1.00 14.40 C ATOM 747 O PHE A 52 -5.788 14.924 -6.386 1.00 21.14 O ATOM 748 CB PHE A 52 -3.134 14.260 -6.811 1.00 71.10 C ATOM 749 CG PHE A 52 -1.670 14.055 -7.082 1.00 75.53 C ATOM 750 CD1 PHE A 52 -1.219 13.808 -8.368 1.00 72.33 C ATOM 751 CD2 PHE A 52 -0.748 14.108 -6.050 1.00 44.52 C ATOM 752 CE1 PHE A 52 0.127 13.619 -8.621 1.00 3.30 C ATOM 753 CE2 PHE A 52 0.600 13.920 -6.297 1.00 12.22 C ATOM 754 CZ PHE A 52 1.037 13.674 -7.584 1.00 13.11 C ATOM 0 H PHE A 52 -3.625 16.965 -5.570 1.00 4.34 H new ATOM 0 HA PHE A 52 -3.346 15.858 -8.231 1.00 52.34 H new ATOM 0 HB2 PHE A 52 -3.325 14.098 -5.750 1.00 71.10 H new ATOM 0 HB3 PHE A 52 -3.705 13.508 -7.356 1.00 71.10 H new ATOM 0 HD1 PHE A 52 -1.927 13.763 -9.182 1.00 72.33 H new ATOM 0 HD2 PHE A 52 -1.085 14.298 -5.042 1.00 44.52 H new ATOM 0 HE1 PHE A 52 0.466 13.429 -9.628 1.00 3.30 H new ATOM 0 HE2 PHE A 52 1.310 13.966 -5.484 1.00 12.22 H new ATOM 0 HZ PHE A 52 2.089 13.525 -7.779 1.00 13.11 H new ATOM 764 N PRO A 53 -5.771 16.621 -7.867 1.00 23.22 N ATOM 765 CA PRO A 53 -7.226 16.790 -7.890 1.00 74.40 C ATOM 766 C PRO A 53 -7.935 15.625 -8.574 1.00 22.34 C ATOM 767 O PRO A 53 -9.162 15.602 -8.672 1.00 22.44 O ATOM 768 CB PRO A 53 -7.422 18.078 -8.693 1.00 2.31 C ATOM 769 CG PRO A 53 -6.211 18.175 -9.554 1.00 44.43 C ATOM 770 CD PRO A 53 -5.086 17.574 -8.758 1.00 35.14 C ATOM 0 HA PRO A 53 -7.646 16.829 -6.885 1.00 74.40 H new ATOM 0 HB2 PRO A 53 -8.332 18.036 -9.292 1.00 2.31 H new ATOM 0 HB3 PRO A 53 -7.512 18.944 -8.037 1.00 2.31 H new ATOM 0 HG2 PRO A 53 -6.355 17.638 -10.492 1.00 44.43 H new ATOM 0 HG3 PRO A 53 -5.997 19.213 -9.810 1.00 44.43 H new ATOM 0 HD2 PRO A 53 -4.361 17.074 -9.400 1.00 35.14 H new ATOM 0 HD3 PRO A 53 -4.543 18.332 -8.194 1.00 35.14 H new ATOM 778 N LYS A 54 -7.155 14.658 -9.043 1.00 43.10 N ATOM 779 CA LYS A 54 -7.706 13.487 -9.716 1.00 13.40 C ATOM 780 C LYS A 54 -7.418 12.218 -8.922 1.00 20.41 C ATOM 781 O LYS A 54 -8.067 11.190 -9.118 1.00 43.43 O ATOM 782 CB LYS A 54 -7.124 13.363 -11.126 1.00 21.42 C ATOM 783 CG LYS A 54 -5.681 12.891 -11.149 1.00 23.14 C ATOM 784 CD LYS A 54 -5.104 12.927 -12.554 1.00 74.14 C ATOM 785 CE LYS A 54 -4.817 14.352 -13.003 1.00 22.21 C ATOM 786 NZ LYS A 54 -3.832 14.393 -14.119 1.00 12.42 N ATOM 0 H LYS A 54 -6.138 14.662 -8.970 1.00 43.10 H new ATOM 0 HA LYS A 54 -8.786 13.613 -9.786 1.00 13.40 H new ATOM 0 HB2 LYS A 54 -7.734 12.667 -11.702 1.00 21.42 H new ATOM 0 HB3 LYS A 54 -7.189 14.331 -11.623 1.00 21.42 H new ATOM 0 HG2 LYS A 54 -5.081 13.521 -10.492 1.00 23.14 H new ATOM 0 HG3 LYS A 54 -5.623 11.876 -10.757 1.00 23.14 H new ATOM 0 HD2 LYS A 54 -4.185 12.342 -12.586 1.00 74.14 H new ATOM 0 HD3 LYS A 54 -5.803 12.460 -13.248 1.00 74.14 H new ATOM 0 HE2 LYS A 54 -5.745 14.827 -13.320 1.00 22.21 H new ATOM 0 HE3 LYS A 54 -4.436 14.929 -12.160 1.00 22.21 H new ATOM 0 HZ1 LYS A 54 -3.663 15.381 -14.397 1.00 12.42 H new ATOM 0 HZ2 LYS A 54 -2.938 13.963 -13.809 1.00 12.42 H new ATOM 0 HZ3 LYS A 54 -4.207 13.864 -14.932 1.00 12.42 H new ATOM 800 N GLY A 55 -6.442 12.296 -8.022 1.00 73.12 N ATOM 801 CA GLY A 55 -6.087 11.145 -7.210 1.00 41.55 C ATOM 802 C GLY A 55 -5.071 10.248 -7.890 1.00 11.43 C ATOM 803 O GLY A 55 -4.960 10.240 -9.115 1.00 71.03 O ATOM 0 H GLY A 55 -5.891 13.135 -7.840 1.00 73.12 H new ATOM 0 HA2 GLY A 55 -5.685 11.487 -6.256 1.00 41.55 H new ATOM 0 HA3 GLY A 55 -6.986 10.569 -6.989 1.00 41.55 H new ATOM 807 N VAL A 56 -4.326 9.492 -7.091 1.00 65.32 N ATOM 808 CA VAL A 56 -3.313 8.587 -7.622 1.00 3.41 C ATOM 809 C VAL A 56 -3.534 7.163 -7.126 1.00 62.51 C ATOM 810 O VAL A 56 -4.019 6.949 -6.015 1.00 73.13 O ATOM 811 CB VAL A 56 -1.894 9.041 -7.229 1.00 31.22 C ATOM 812 CG1 VAL A 56 -1.624 8.740 -5.763 1.00 32.00 C ATOM 813 CG2 VAL A 56 -0.856 8.373 -8.118 1.00 73.03 C ATOM 0 H VAL A 56 -4.404 9.488 -6.074 1.00 65.32 H new ATOM 0 HA VAL A 56 -3.407 8.609 -8.708 1.00 3.41 H new ATOM 0 HB VAL A 56 -1.823 10.119 -7.373 1.00 31.22 H new ATOM 0 HG11 VAL A 56 -0.617 9.068 -5.504 1.00 32.00 H new ATOM 0 HG12 VAL A 56 -2.348 9.269 -5.144 1.00 32.00 H new ATOM 0 HG13 VAL A 56 -1.713 7.668 -5.589 1.00 32.00 H new ATOM 0 HG21 VAL A 56 0.140 8.705 -7.827 1.00 73.03 H new ATOM 0 HG22 VAL A 56 -0.925 7.291 -8.008 1.00 73.03 H new ATOM 0 HG23 VAL A 56 -1.039 8.644 -9.158 1.00 73.03 H new ATOM 823 N ALA A 57 -3.175 6.191 -7.959 1.00 32.55 N ATOM 824 CA ALA A 57 -3.332 4.785 -7.605 1.00 13.14 C ATOM 825 C ALA A 57 -2.013 4.033 -7.742 1.00 30.11 C ATOM 826 O ALA A 57 -1.287 4.208 -8.720 1.00 72.44 O ATOM 827 CB ALA A 57 -4.404 4.138 -8.470 1.00 51.55 C ATOM 0 H ALA A 57 -2.774 6.351 -8.883 1.00 32.55 H new ATOM 0 HA ALA A 57 -3.643 4.732 -6.562 1.00 13.14 H new ATOM 0 HB1 ALA A 57 -4.510 3.089 -8.194 1.00 51.55 H new ATOM 0 HB2 ALA A 57 -5.354 4.651 -8.317 1.00 51.55 H new ATOM 0 HB3 ALA A 57 -4.118 4.210 -9.519 1.00 51.55 H new ATOM 833 N VAL A 58 -1.709 3.196 -6.756 1.00 5.03 N ATOM 834 CA VAL A 58 -0.476 2.417 -6.768 1.00 71.31 C ATOM 835 C VAL A 58 -0.768 0.924 -6.665 1.00 74.14 C ATOM 836 O VAL A 58 -1.302 0.452 -5.661 1.00 5.45 O ATOM 837 CB VAL A 58 0.458 2.826 -5.613 1.00 71.21 C ATOM 838 CG1 VAL A 58 1.540 1.778 -5.405 1.00 44.42 C ATOM 839 CG2 VAL A 58 1.070 4.192 -5.883 1.00 4.52 C ATOM 0 H VAL A 58 -2.299 3.040 -5.939 1.00 5.03 H new ATOM 0 HA VAL A 58 0.019 2.623 -7.717 1.00 71.31 H new ATOM 0 HB VAL A 58 -0.130 2.892 -4.698 1.00 71.21 H new ATOM 0 HG11 VAL A 58 2.190 2.084 -4.585 1.00 44.42 H new ATOM 0 HG12 VAL A 58 1.078 0.821 -5.164 1.00 44.42 H new ATOM 0 HG13 VAL A 58 2.129 1.677 -6.317 1.00 44.42 H new ATOM 0 HG21 VAL A 58 1.727 4.466 -5.058 1.00 4.52 H new ATOM 0 HG22 VAL A 58 1.645 4.157 -6.808 1.00 4.52 H new ATOM 0 HG23 VAL A 58 0.277 4.934 -5.977 1.00 4.52 H new ATOM 849 N VAL A 59 -0.416 0.185 -7.711 1.00 72.43 N ATOM 850 CA VAL A 59 -0.639 -1.256 -7.739 1.00 71.33 C ATOM 851 C VAL A 59 0.509 -2.003 -7.069 1.00 35.24 C ATOM 852 O VAL A 59 1.588 -1.448 -6.861 1.00 42.33 O ATOM 853 CB VAL A 59 -0.799 -1.772 -9.183 1.00 20.25 C ATOM 854 CG1 VAL A 59 -1.120 -3.259 -9.186 1.00 51.40 C ATOM 855 CG2 VAL A 59 -1.875 -0.983 -9.913 1.00 20.44 C ATOM 0 H VAL A 59 0.025 0.560 -8.551 1.00 72.43 H new ATOM 0 HA VAL A 59 -1.561 -1.444 -7.189 1.00 71.33 H new ATOM 0 HB VAL A 59 0.145 -1.628 -9.710 1.00 20.25 H new ATOM 0 HG11 VAL A 59 -1.229 -3.606 -10.214 1.00 51.40 H new ATOM 0 HG12 VAL A 59 -0.311 -3.807 -8.703 1.00 51.40 H new ATOM 0 HG13 VAL A 59 -2.050 -3.432 -8.644 1.00 51.40 H new ATOM 0 HG21 VAL A 59 -1.975 -1.360 -10.931 1.00 20.44 H new ATOM 0 HG22 VAL A 59 -2.825 -1.093 -9.390 1.00 20.44 H new ATOM 0 HG23 VAL A 59 -1.597 0.071 -9.942 1.00 20.44 H new ATOM 865 N LEU A 60 0.269 -3.265 -6.732 1.00 0.24 N ATOM 866 CA LEU A 60 1.283 -4.090 -6.084 1.00 34.13 C ATOM 867 C LEU A 60 1.010 -5.573 -6.319 1.00 42.45 C ATOM 868 O LEU A 60 0.431 -6.250 -5.469 1.00 63.25 O ATOM 869 CB LEU A 60 1.323 -3.799 -4.583 1.00 35.43 C ATOM 870 CG LEU A 60 1.572 -2.343 -4.187 1.00 72.15 C ATOM 871 CD1 LEU A 60 1.257 -2.129 -2.715 1.00 64.13 C ATOM 872 CD2 LEU A 60 3.010 -1.947 -4.491 1.00 71.15 C ATOM 0 H LEU A 60 -0.619 -3.740 -6.897 1.00 0.24 H new ATOM 0 HA LEU A 60 2.250 -3.843 -6.521 1.00 34.13 H new ATOM 0 HB2 LEU A 60 0.376 -4.116 -4.147 1.00 35.43 H new ATOM 0 HB3 LEU A 60 2.103 -4.415 -4.135 1.00 35.43 H new ATOM 0 HG LEU A 60 0.909 -1.707 -4.774 1.00 72.15 H new ATOM 0 HD11 LEU A 60 1.440 -1.087 -2.451 1.00 64.13 H new ATOM 0 HD12 LEU A 60 0.211 -2.372 -2.528 1.00 64.13 H new ATOM 0 HD13 LEU A 60 1.894 -2.774 -2.109 1.00 64.13 H new ATOM 0 HD21 LEU A 60 3.170 -0.908 -4.203 1.00 71.15 H new ATOM 0 HD22 LEU A 60 3.690 -2.588 -3.930 1.00 71.15 H new ATOM 0 HD23 LEU A 60 3.201 -2.061 -5.558 1.00 71.15 H new ATOM 884 N ASP A 61 1.433 -6.070 -7.476 1.00 55.42 N ATOM 885 CA ASP A 61 1.237 -7.473 -7.823 1.00 22.34 C ATOM 886 C ASP A 61 2.029 -8.379 -6.884 1.00 52.23 C ATOM 887 O ASP A 61 3.244 -8.523 -7.021 1.00 71.11 O ATOM 888 CB ASP A 61 1.657 -7.727 -9.271 1.00 44.22 C ATOM 889 CG ASP A 61 1.698 -9.203 -9.612 1.00 61.33 C ATOM 890 OD1 ASP A 61 1.375 -10.024 -8.729 1.00 75.51 O ATOM 891 OD2 ASP A 61 2.054 -9.537 -10.762 1.00 21.31 O ATOM 0 H ASP A 61 1.914 -5.522 -8.190 1.00 55.42 H new ATOM 0 HA ASP A 61 0.177 -7.704 -7.716 1.00 22.34 H new ATOM 0 HB2 ASP A 61 0.962 -7.221 -9.942 1.00 44.22 H new ATOM 0 HB3 ASP A 61 2.641 -7.290 -9.443 1.00 44.22 H new ATOM 896 N LEU A 62 1.332 -8.988 -5.931 1.00 13.12 N ATOM 897 CA LEU A 62 1.969 -9.880 -4.968 1.00 44.23 C ATOM 898 C LEU A 62 1.674 -11.339 -5.301 1.00 5.11 C ATOM 899 O LEU A 62 0.570 -11.678 -5.725 1.00 71.54 O ATOM 900 CB LEU A 62 1.488 -9.560 -3.552 1.00 24.41 C ATOM 901 CG LEU A 62 1.289 -8.080 -3.228 1.00 40.55 C ATOM 902 CD1 LEU A 62 0.944 -7.895 -1.758 1.00 74.55 C ATOM 903 CD2 LEU A 62 2.533 -7.281 -3.590 1.00 62.43 C ATOM 0 H LEU A 62 0.326 -8.881 -5.804 1.00 13.12 H new ATOM 0 HA LEU A 62 3.047 -9.725 -5.022 1.00 44.23 H new ATOM 0 HB2 LEU A 62 0.543 -10.078 -3.385 1.00 24.41 H new ATOM 0 HB3 LEU A 62 2.207 -9.973 -2.844 1.00 24.41 H new ATOM 0 HG LEU A 62 0.456 -7.708 -3.825 1.00 40.55 H new ATOM 0 HD11 LEU A 62 0.806 -6.834 -1.547 1.00 74.55 H new ATOM 0 HD12 LEU A 62 0.024 -8.433 -1.530 1.00 74.55 H new ATOM 0 HD13 LEU A 62 1.754 -8.285 -1.142 1.00 74.55 H new ATOM 0 HD21 LEU A 62 2.372 -6.230 -3.352 1.00 62.43 H new ATOM 0 HD22 LEU A 62 3.384 -7.656 -3.021 1.00 62.43 H new ATOM 0 HD23 LEU A 62 2.735 -7.385 -4.656 1.00 62.43 H new ATOM 915 N TRP A 63 2.668 -12.197 -5.102 1.00 62.03 N ATOM 916 CA TRP A 63 2.515 -13.621 -5.380 1.00 5.44 C ATOM 917 C TRP A 63 3.013 -14.460 -4.207 1.00 41.14 C ATOM 918 O TRP A 63 4.201 -14.446 -3.882 1.00 12.42 O ATOM 919 CB TRP A 63 3.274 -13.999 -6.653 1.00 4.24 C ATOM 920 CG TRP A 63 2.389 -14.134 -7.854 1.00 24.20 C ATOM 921 CD1 TRP A 63 2.552 -13.524 -9.065 1.00 31.41 C ATOM 922 CD2 TRP A 63 1.202 -14.929 -7.958 1.00 42.13 C ATOM 923 NE1 TRP A 63 1.538 -13.893 -9.917 1.00 12.34 N ATOM 924 CE2 TRP A 63 0.697 -14.754 -9.262 1.00 3.22 C ATOM 925 CE3 TRP A 63 0.519 -15.773 -7.079 1.00 64.14 C ATOM 926 CZ2 TRP A 63 -0.459 -15.391 -9.703 1.00 62.04 C ATOM 927 CZ3 TRP A 63 -0.629 -16.405 -7.519 1.00 11.43 C ATOM 928 CH2 TRP A 63 -1.109 -16.212 -8.821 1.00 45.32 C ATOM 0 H TRP A 63 3.588 -11.932 -4.750 1.00 62.03 H new ATOM 0 HA TRP A 63 1.454 -13.826 -5.525 1.00 5.44 H new ATOM 0 HB2 TRP A 63 4.033 -13.243 -6.853 1.00 4.24 H new ATOM 0 HB3 TRP A 63 3.798 -14.941 -6.489 1.00 4.24 H new ATOM 0 HD1 TRP A 63 3.358 -12.851 -9.316 1.00 31.41 H new ATOM 0 HE1 TRP A 63 1.429 -13.577 -10.881 1.00 12.34 H new ATOM 0 HE3 TRP A 63 0.881 -15.929 -6.074 1.00 64.14 H new ATOM 0 HZ2 TRP A 63 -0.831 -15.243 -10.706 1.00 62.04 H new ATOM 0 HZ3 TRP A 63 -1.165 -17.059 -6.847 1.00 11.43 H new ATOM 0 HH2 TRP A 63 -2.009 -16.720 -9.135 1.00 45.32 H new ATOM 939 N HIS A 64 2.099 -15.190 -3.578 1.00 61.40 N ATOM 940 CA HIS A 64 2.447 -16.037 -2.442 1.00 23.33 C ATOM 941 C HIS A 64 3.311 -15.275 -1.441 1.00 73.11 C ATOM 942 O HIS A 64 4.199 -15.847 -0.810 1.00 61.31 O ATOM 943 CB HIS A 64 3.184 -17.289 -2.919 1.00 63.32 C ATOM 944 CG HIS A 64 2.286 -18.469 -3.127 1.00 33.31 C ATOM 945 ND1 HIS A 64 2.321 -19.593 -2.328 1.00 53.03 N ATOM 946 CD2 HIS A 64 1.321 -18.696 -4.050 1.00 73.31 C ATOM 947 CE1 HIS A 64 1.420 -20.460 -2.752 1.00 71.23 C ATOM 948 NE2 HIS A 64 0.799 -19.941 -3.796 1.00 14.21 N ATOM 0 H HIS A 64 1.112 -15.213 -3.835 1.00 61.40 H new ATOM 0 HA HIS A 64 1.523 -16.335 -1.946 1.00 23.33 H new ATOM 0 HB2 HIS A 64 3.698 -17.064 -3.854 1.00 63.32 H new ATOM 0 HB3 HIS A 64 3.950 -17.550 -2.189 1.00 63.32 H new ATOM 0 HD2 HIS A 64 1.018 -18.023 -4.839 1.00 73.31 H new ATOM 0 HE1 HIS A 64 1.224 -21.430 -2.319 1.00 71.23 H new ATOM 0 HE2 HIS A 64 0.053 -20.391 -4.327 1.00 14.21 H new ATOM 957 N GLY A 65 3.042 -13.981 -1.300 1.00 43.43 N ATOM 958 CA GLY A 65 3.803 -13.162 -0.375 1.00 65.12 C ATOM 959 C GLY A 65 4.932 -12.413 -1.056 1.00 63.12 C ATOM 960 O GLY A 65 5.275 -11.299 -0.660 1.00 72.15 O ATOM 0 H GLY A 65 2.311 -13.485 -1.810 1.00 43.43 H new ATOM 0 HA2 GLY A 65 3.135 -12.447 0.106 1.00 65.12 H new ATOM 0 HA3 GLY A 65 4.214 -13.794 0.412 1.00 65.12 H new ATOM 964 N ALA A 66 5.510 -13.026 -2.083 1.00 65.04 N ATOM 965 CA ALA A 66 6.606 -12.409 -2.822 1.00 71.51 C ATOM 966 C ALA A 66 6.080 -11.492 -3.920 1.00 11.31 C ATOM 967 O ALA A 66 5.333 -11.923 -4.799 1.00 44.24 O ATOM 968 CB ALA A 66 7.510 -13.479 -3.414 1.00 23.41 C ATOM 0 H ALA A 66 5.238 -13.949 -2.423 1.00 65.04 H new ATOM 0 HA ALA A 66 7.186 -11.803 -2.126 1.00 71.51 H new ATOM 0 HB1 ALA A 66 8.324 -13.005 -3.963 1.00 23.41 H new ATOM 0 HB2 ALA A 66 7.922 -14.092 -2.612 1.00 23.41 H new ATOM 0 HB3 ALA A 66 6.933 -14.108 -4.092 1.00 23.41 H new ATOM 974 N CYS A 67 6.473 -10.224 -3.864 1.00 61.23 N ATOM 975 CA CYS A 67 6.041 -9.244 -4.853 1.00 42.23 C ATOM 976 C CYS A 67 6.455 -9.671 -6.258 1.00 60.11 C ATOM 977 O CYS A 67 7.199 -10.636 -6.431 1.00 50.22 O ATOM 978 CB CYS A 67 6.631 -7.870 -4.531 1.00 41.20 C ATOM 979 SG CYS A 67 5.714 -6.477 -5.265 1.00 12.04 S ATOM 0 H CYS A 67 7.091 -9.851 -3.143 1.00 61.23 H new ATOM 0 HA CYS A 67 4.953 -9.183 -4.817 1.00 42.23 H new ATOM 0 HB2 CYS A 67 6.659 -7.743 -3.449 1.00 41.20 H new ATOM 0 HB3 CYS A 67 7.662 -7.838 -4.882 1.00 41.20 H new ATOM 984 N ARG A 68 5.967 -8.945 -7.258 1.00 52.44 N ATOM 985 CA ARG A 68 6.285 -9.248 -8.649 1.00 11.12 C ATOM 986 C ARG A 68 6.437 -7.967 -9.464 1.00 73.21 C ATOM 987 O ARG A 68 7.430 -7.780 -10.166 1.00 31.22 O ATOM 988 CB ARG A 68 5.195 -10.129 -9.262 1.00 65.34 C ATOM 989 CG ARG A 68 5.615 -10.803 -10.559 1.00 24.52 C ATOM 990 CD ARG A 68 4.437 -11.479 -11.243 1.00 53.55 C ATOM 991 NE ARG A 68 4.624 -12.922 -11.360 1.00 62.05 N ATOM 992 CZ ARG A 68 3.940 -13.686 -12.205 1.00 45.33 C ATOM 993 NH1 ARG A 68 3.029 -13.146 -13.003 1.00 0.12 N ATOM 994 NH2 ARG A 68 4.168 -14.992 -12.253 1.00 23.31 N ATOM 0 H ARG A 68 5.350 -8.143 -7.132 1.00 52.44 H new ATOM 0 HA ARG A 68 7.233 -9.786 -8.670 1.00 11.12 H new ATOM 0 HB2 ARG A 68 4.910 -10.894 -8.540 1.00 65.34 H new ATOM 0 HB3 ARG A 68 4.310 -9.521 -9.448 1.00 65.34 H new ATOM 0 HG2 ARG A 68 6.051 -10.063 -11.230 1.00 24.52 H new ATOM 0 HG3 ARG A 68 6.390 -11.541 -10.352 1.00 24.52 H new ATOM 0 HD2 ARG A 68 3.526 -11.276 -10.680 1.00 53.55 H new ATOM 0 HD3 ARG A 68 4.300 -11.050 -12.236 1.00 53.55 H new ATOM 0 HE ARG A 68 5.318 -13.368 -10.760 1.00 62.05 H new ATOM 0 HH11 ARG A 68 2.852 -12.142 -12.969 1.00 0.12 H new ATOM 0 HH12 ARG A 68 2.505 -13.735 -13.651 1.00 0.12 H new ATOM 0 HH21 ARG A 68 4.869 -15.410 -11.641 1.00 23.31 H new ATOM 0 HH22 ARG A 68 3.643 -15.578 -12.902 1.00 23.31 H new ATOM 1008 N GLY A 69 5.445 -7.087 -9.366 1.00 34.44 N ATOM 1009 CA GLY A 69 5.486 -5.837 -10.100 1.00 3.02 C ATOM 1010 C GLY A 69 4.706 -4.734 -9.412 1.00 4.05 C ATOM 1011 O GLY A 69 4.004 -4.980 -8.431 1.00 60.33 O ATOM 0 H GLY A 69 4.613 -7.218 -8.791 1.00 34.44 H new ATOM 0 HA2 GLY A 69 6.523 -5.524 -10.220 1.00 3.02 H new ATOM 0 HA3 GLY A 69 5.082 -5.993 -11.100 1.00 3.02 H new ATOM 1015 N ALA A 70 4.833 -3.514 -9.924 1.00 13.04 N ATOM 1016 CA ALA A 70 4.133 -2.370 -9.351 1.00 11.41 C ATOM 1017 C ALA A 70 4.020 -1.235 -10.362 1.00 43.43 C ATOM 1018 O ALA A 70 5.021 -0.781 -10.918 1.00 22.13 O ATOM 1019 CB ALA A 70 4.845 -1.891 -8.095 1.00 33.13 C ATOM 0 H ALA A 70 5.413 -3.292 -10.733 1.00 13.04 H new ATOM 0 HA ALA A 70 3.125 -2.687 -9.085 1.00 11.41 H new ATOM 0 HB1 ALA A 70 4.312 -1.037 -7.678 1.00 33.13 H new ATOM 0 HB2 ALA A 70 4.870 -2.697 -7.361 1.00 33.13 H new ATOM 0 HB3 ALA A 70 5.864 -1.596 -8.345 1.00 33.13 H new ATOM 1025 N LYS A 71 2.795 -0.778 -10.599 1.00 20.12 N ATOM 1026 CA LYS A 71 2.550 0.305 -11.543 1.00 14.13 C ATOM 1027 C LYS A 71 1.666 1.381 -10.920 1.00 15.04 C ATOM 1028 O LYS A 71 0.710 1.076 -10.206 1.00 73.45 O ATOM 1029 CB LYS A 71 1.891 -0.237 -12.814 1.00 4.12 C ATOM 1030 CG LYS A 71 0.646 -1.065 -12.548 1.00 70.03 C ATOM 1031 CD LYS A 71 0.132 -1.722 -13.819 1.00 24.15 C ATOM 1032 CE LYS A 71 -0.895 -0.848 -14.521 1.00 70.41 C ATOM 1033 NZ LYS A 71 -1.284 -1.406 -15.846 1.00 13.33 N ATOM 0 H LYS A 71 1.955 -1.142 -10.149 1.00 20.12 H new ATOM 0 HA LYS A 71 3.510 0.752 -11.801 1.00 14.13 H new ATOM 0 HB2 LYS A 71 1.629 0.599 -13.462 1.00 4.12 H new ATOM 0 HB3 LYS A 71 2.614 -0.847 -13.356 1.00 4.12 H new ATOM 0 HG2 LYS A 71 0.869 -1.831 -11.806 1.00 70.03 H new ATOM 0 HG3 LYS A 71 -0.132 -0.429 -12.126 1.00 70.03 H new ATOM 0 HD2 LYS A 71 0.967 -1.917 -14.492 1.00 24.15 H new ATOM 0 HD3 LYS A 71 -0.314 -2.687 -13.577 1.00 24.15 H new ATOM 0 HE2 LYS A 71 -1.781 -0.752 -13.893 1.00 70.41 H new ATOM 0 HE3 LYS A 71 -0.489 0.155 -14.654 1.00 70.41 H new ATOM 0 HZ1 LYS A 71 -1.985 -0.782 -16.293 1.00 13.33 H new ATOM 0 HZ2 LYS A 71 -0.443 -1.474 -16.454 1.00 13.33 H new ATOM 0 HZ3 LYS A 71 -1.695 -2.352 -15.717 1.00 13.33 H new ATOM 1047 N ALA A 72 1.989 2.639 -11.195 1.00 2.35 N ATOM 1048 CA ALA A 72 1.222 3.760 -10.664 1.00 23.41 C ATOM 1049 C ALA A 72 0.357 4.395 -11.747 1.00 20.02 C ATOM 1050 O ALA A 72 0.831 4.679 -12.847 1.00 71.53 O ATOM 1051 CB ALA A 72 2.155 4.796 -10.054 1.00 75.02 C ATOM 0 H ALA A 72 2.777 2.909 -11.783 1.00 2.35 H new ATOM 0 HA ALA A 72 0.561 3.380 -9.885 1.00 23.41 H new ATOM 0 HB1 ALA A 72 1.569 5.627 -9.662 1.00 75.02 H new ATOM 0 HB2 ALA A 72 2.725 4.340 -9.245 1.00 75.02 H new ATOM 0 HB3 ALA A 72 2.840 5.164 -10.818 1.00 75.02 H new ATOM 1057 N VAL A 73 -0.915 4.616 -11.428 1.00 4.11 N ATOM 1058 CA VAL A 73 -1.846 5.218 -12.374 1.00 75.41 C ATOM 1059 C VAL A 73 -2.824 6.148 -11.665 1.00 72.50 C ATOM 1060 O VAL A 73 -3.432 5.776 -10.662 1.00 51.50 O ATOM 1061 CB VAL A 73 -2.640 4.144 -13.141 1.00 41.04 C ATOM 1062 CG1 VAL A 73 -3.033 3.005 -12.212 1.00 50.33 C ATOM 1063 CG2 VAL A 73 -3.869 4.757 -13.796 1.00 61.52 C ATOM 0 H VAL A 73 -1.323 4.387 -10.522 1.00 4.11 H new ATOM 0 HA VAL A 73 -1.250 5.793 -13.083 1.00 75.41 H new ATOM 0 HB VAL A 73 -2.003 3.737 -13.926 1.00 41.04 H new ATOM 0 HG11 VAL A 73 -3.593 2.256 -12.772 1.00 50.33 H new ATOM 0 HG12 VAL A 73 -2.135 2.550 -11.795 1.00 50.33 H new ATOM 0 HG13 VAL A 73 -3.653 3.392 -11.403 1.00 50.33 H new ATOM 0 HG21 VAL A 73 -4.418 3.984 -14.334 1.00 61.52 H new ATOM 0 HG22 VAL A 73 -4.511 5.192 -13.030 1.00 61.52 H new ATOM 0 HG23 VAL A 73 -3.559 5.535 -14.494 1.00 61.52 H new ATOM 1073 N GLU A 74 -2.971 7.358 -12.195 1.00 13.44 N ATOM 1074 CA GLU A 74 -3.877 8.342 -11.612 1.00 71.34 C ATOM 1075 C GLU A 74 -5.262 8.250 -12.246 1.00 23.11 C ATOM 1076 O GLU A 74 -5.392 8.110 -13.462 1.00 2.23 O ATOM 1077 CB GLU A 74 -3.315 9.754 -11.791 1.00 70.11 C ATOM 1078 CG GLU A 74 -1.833 9.864 -11.474 1.00 22.55 C ATOM 1079 CD GLU A 74 -1.284 11.255 -11.726 1.00 14.11 C ATOM 1080 OE1 GLU A 74 -2.095 12.189 -11.900 1.00 12.43 O ATOM 1081 OE2 GLU A 74 -0.045 11.410 -11.749 1.00 72.55 O ATOM 0 H GLU A 74 -2.475 7.681 -13.026 1.00 13.44 H new ATOM 0 HA GLU A 74 -3.969 8.127 -10.547 1.00 71.34 H new ATOM 0 HB2 GLU A 74 -3.483 10.075 -12.819 1.00 70.11 H new ATOM 0 HB3 GLU A 74 -3.867 10.440 -11.149 1.00 70.11 H new ATOM 0 HG2 GLU A 74 -1.668 9.596 -10.431 1.00 22.55 H new ATOM 0 HG3 GLU A 74 -1.281 9.145 -12.079 1.00 22.55 H new ATOM 1120 N GLU A 78 -6.201 -0.799 -11.861 1.00 55.33 N ATOM 1121 CA GLU A 78 -6.724 -2.157 -11.962 1.00 21.01 C ATOM 1122 C GLU A 78 -5.993 -3.093 -11.006 1.00 24.53 C ATOM 1123 O GLU A 78 -4.768 -3.211 -11.049 1.00 54.14 O ATOM 1124 CB GLU A 78 -6.593 -2.672 -13.397 1.00 1.02 C ATOM 1125 CG GLU A 78 -7.666 -3.676 -13.783 1.00 71.34 C ATOM 1126 CD GLU A 78 -7.688 -3.962 -15.272 1.00 63.42 C ATOM 1127 OE1 GLU A 78 -8.320 -3.184 -16.018 1.00 34.33 O ATOM 1128 OE2 GLU A 78 -7.072 -4.964 -15.692 1.00 54.23 O ATOM 0 HA GLU A 78 -7.778 -2.135 -11.686 1.00 21.01 H new ATOM 0 HB2 GLU A 78 -6.635 -1.826 -14.083 1.00 1.02 H new ATOM 0 HB3 GLU A 78 -5.614 -3.134 -13.520 1.00 1.02 H new ATOM 0 HG2 GLU A 78 -7.500 -4.607 -13.240 1.00 71.34 H new ATOM 0 HG3 GLU A 78 -8.641 -3.297 -13.475 1.00 71.34 H new ATOM 1135 N ALA A 79 -6.752 -3.758 -10.141 1.00 13.01 N ATOM 1136 CA ALA A 79 -6.177 -4.685 -9.173 1.00 72.23 C ATOM 1137 C ALA A 79 -7.261 -5.524 -8.505 1.00 55.14 C ATOM 1138 O ALA A 79 -8.432 -5.143 -8.489 1.00 55.50 O ATOM 1139 CB ALA A 79 -5.375 -3.926 -8.127 1.00 73.34 C ATOM 0 H ALA A 79 -7.767 -3.672 -10.091 1.00 13.01 H new ATOM 0 HA ALA A 79 -5.509 -5.361 -9.707 1.00 72.23 H new ATOM 0 HB1 ALA A 79 -4.952 -4.631 -7.411 1.00 73.34 H new ATOM 0 HB2 ALA A 79 -4.570 -3.376 -8.614 1.00 73.34 H new ATOM 0 HB3 ALA A 79 -6.028 -3.227 -7.605 1.00 73.34 H new ATOM 1145 N ASP A 80 -6.865 -6.666 -7.957 1.00 71.24 N ATOM 1146 CA ASP A 80 -7.804 -7.560 -7.288 1.00 43.20 C ATOM 1147 C ASP A 80 -8.322 -6.934 -5.996 1.00 72.41 C ATOM 1148 O ASP A 80 -9.469 -7.150 -5.606 1.00 72.53 O ATOM 1149 CB ASP A 80 -7.136 -8.903 -6.986 1.00 50.11 C ATOM 1150 CG ASP A 80 -7.982 -10.081 -7.428 1.00 42.22 C ATOM 1151 OD1 ASP A 80 -8.183 -10.242 -8.650 1.00 53.33 O ATOM 1152 OD2 ASP A 80 -8.441 -10.842 -6.552 1.00 20.15 O ATOM 0 H ASP A 80 -5.900 -6.996 -7.962 1.00 71.24 H new ATOM 0 HA ASP A 80 -8.649 -7.726 -7.956 1.00 43.20 H new ATOM 0 HB2 ASP A 80 -6.169 -8.945 -7.487 1.00 50.11 H new ATOM 0 HB3 ASP A 80 -6.944 -8.978 -5.916 1.00 50.11 H new ATOM 1157 N PHE A 81 -7.468 -6.158 -5.337 1.00 72.31 N ATOM 1158 CA PHE A 81 -7.839 -5.502 -4.089 1.00 25.44 C ATOM 1159 C PHE A 81 -7.587 -3.999 -4.168 1.00 32.52 C ATOM 1160 O PHE A 81 -6.492 -3.526 -3.867 1.00 41.40 O ATOM 1161 CB PHE A 81 -7.053 -6.101 -2.920 1.00 63.22 C ATOM 1162 CG PHE A 81 -7.406 -7.533 -2.632 1.00 2.14 C ATOM 1163 CD1 PHE A 81 -8.562 -7.850 -1.939 1.00 12.31 C ATOM 1164 CD2 PHE A 81 -6.579 -8.562 -3.054 1.00 52.12 C ATOM 1165 CE1 PHE A 81 -8.890 -9.166 -1.672 1.00 64.02 C ATOM 1166 CE2 PHE A 81 -6.901 -9.880 -2.791 1.00 14.14 C ATOM 1167 CZ PHE A 81 -8.058 -10.182 -2.098 1.00 61.42 C ATOM 0 H PHE A 81 -6.515 -5.968 -5.646 1.00 72.31 H new ATOM 0 HA PHE A 81 -8.904 -5.666 -3.925 1.00 25.44 H new ATOM 0 HB2 PHE A 81 -5.987 -6.034 -3.137 1.00 63.22 H new ATOM 0 HB3 PHE A 81 -7.234 -5.504 -2.027 1.00 63.22 H new ATOM 0 HD1 PHE A 81 -9.216 -7.059 -1.603 1.00 12.31 H new ATOM 0 HD2 PHE A 81 -5.673 -8.331 -3.594 1.00 52.12 H new ATOM 0 HE1 PHE A 81 -9.795 -9.399 -1.131 1.00 64.02 H new ATOM 0 HE2 PHE A 81 -6.249 -10.673 -3.127 1.00 14.14 H new ATOM 0 HZ PHE A 81 -8.311 -11.211 -1.890 1.00 61.42 H new ATOM 1177 N VAL A 82 -8.610 -3.255 -4.575 1.00 1.15 N ATOM 1178 CA VAL A 82 -8.501 -1.806 -4.693 1.00 53.13 C ATOM 1179 C VAL A 82 -9.115 -1.108 -3.485 1.00 10.12 C ATOM 1180 O VAL A 82 -10.219 -1.444 -3.055 1.00 51.22 O ATOM 1181 CB VAL A 82 -9.190 -1.294 -5.972 1.00 55.22 C ATOM 1182 CG1 VAL A 82 -9.059 0.217 -6.082 1.00 13.44 C ATOM 1183 CG2 VAL A 82 -8.610 -1.979 -7.200 1.00 55.44 C ATOM 0 H VAL A 82 -9.523 -3.632 -4.829 1.00 1.15 H new ATOM 0 HA VAL A 82 -7.438 -1.572 -4.743 1.00 53.13 H new ATOM 0 HB VAL A 82 -10.251 -1.539 -5.915 1.00 55.22 H new ATOM 0 HG11 VAL A 82 -9.552 0.560 -6.992 1.00 13.44 H new ATOM 0 HG12 VAL A 82 -9.527 0.687 -5.217 1.00 13.44 H new ATOM 0 HG13 VAL A 82 -8.004 0.489 -6.116 1.00 13.44 H new ATOM 0 HG21 VAL A 82 -9.108 -1.605 -8.094 1.00 55.44 H new ATOM 0 HG22 VAL A 82 -7.543 -1.768 -7.264 1.00 55.44 H new ATOM 0 HG23 VAL A 82 -8.763 -3.055 -7.122 1.00 55.44 H new ATOM 1193 N ILE A 83 -8.392 -0.135 -2.940 1.00 62.25 N ATOM 1194 CA ILE A 83 -8.865 0.612 -1.782 1.00 51.13 C ATOM 1195 C ILE A 83 -8.632 2.108 -1.959 1.00 50.03 C ATOM 1196 O ILE A 83 -7.545 2.535 -2.348 1.00 30.32 O ATOM 1197 CB ILE A 83 -8.171 0.145 -0.489 1.00 31.43 C ATOM 1198 CG1 ILE A 83 -8.190 -1.382 -0.397 1.00 64.14 C ATOM 1199 CG2 ILE A 83 -8.847 0.762 0.727 1.00 43.33 C ATOM 1200 CD1 ILE A 83 -7.377 -1.929 0.756 1.00 42.52 C ATOM 0 H ILE A 83 -7.476 0.154 -3.283 1.00 62.25 H new ATOM 0 HA ILE A 83 -9.935 0.421 -1.700 1.00 51.13 H new ATOM 0 HB ILE A 83 -7.133 0.476 -0.511 1.00 31.43 H new ATOM 0 HG12 ILE A 83 -9.222 -1.719 -0.295 1.00 64.14 H new ATOM 0 HG13 ILE A 83 -7.809 -1.799 -1.329 1.00 64.14 H new ATOM 0 HG21 ILE A 83 -8.346 0.423 1.633 1.00 43.33 H new ATOM 0 HG22 ILE A 83 -8.787 1.849 0.664 1.00 43.33 H new ATOM 0 HG23 ILE A 83 -9.893 0.457 0.755 1.00 43.33 H new ATOM 0 HD11 ILE A 83 -7.436 -3.017 0.759 1.00 42.52 H new ATOM 0 HD12 ILE A 83 -6.337 -1.623 0.645 1.00 42.52 H new ATOM 0 HD13 ILE A 83 -7.771 -1.542 1.695 1.00 42.52 H new ATOM 1212 N GLU A 84 -9.659 2.900 -1.671 1.00 11.54 N ATOM 1213 CA GLU A 84 -9.565 4.350 -1.797 1.00 71.11 C ATOM 1214 C GLU A 84 -9.832 5.032 -0.458 1.00 65.24 C ATOM 1215 O GLU A 84 -10.745 4.652 0.273 1.00 54.34 O ATOM 1216 CB GLU A 84 -10.556 4.859 -2.847 1.00 61.31 C ATOM 1217 CG GLU A 84 -10.798 6.357 -2.779 1.00 15.10 C ATOM 1218 CD GLU A 84 -11.316 6.924 -4.087 1.00 72.44 C ATOM 1219 OE1 GLU A 84 -12.461 6.593 -4.464 1.00 43.11 O ATOM 1220 OE2 GLU A 84 -10.579 7.696 -4.733 1.00 42.24 O ATOM 0 H GLU A 84 -10.566 2.563 -1.349 1.00 11.54 H new ATOM 0 HA GLU A 84 -8.552 4.596 -2.115 1.00 71.11 H new ATOM 0 HB2 GLU A 84 -10.184 4.604 -3.839 1.00 61.31 H new ATOM 0 HB3 GLU A 84 -11.506 4.340 -2.720 1.00 61.31 H new ATOM 0 HG2 GLU A 84 -11.515 6.570 -1.986 1.00 15.10 H new ATOM 0 HG3 GLU A 84 -9.868 6.860 -2.512 1.00 15.10 H new ATOM 1227 N ALA A 85 -9.025 6.040 -0.144 1.00 10.21 N ATOM 1228 CA ALA A 85 -9.174 6.777 1.106 1.00 22.10 C ATOM 1229 C ALA A 85 -8.483 8.134 1.029 1.00 53.54 C ATOM 1230 O ALA A 85 -7.736 8.409 0.090 1.00 51.23 O ATOM 1231 CB ALA A 85 -8.617 5.965 2.266 1.00 72.14 C ATOM 0 H ALA A 85 -8.262 6.365 -0.737 1.00 10.21 H new ATOM 0 HA ALA A 85 -10.237 6.949 1.273 1.00 22.10 H new ATOM 0 HB1 ALA A 85 -8.734 6.527 3.193 1.00 72.14 H new ATOM 0 HB2 ALA A 85 -9.158 5.022 2.342 1.00 72.14 H new ATOM 0 HB3 ALA A 85 -7.559 5.764 2.095 1.00 72.14 H new ATOM 1237 N ASP A 86 -8.739 8.980 2.021 1.00 63.34 N ATOM 1238 CA ASP A 86 -8.142 10.309 2.065 1.00 5.42 C ATOM 1239 C ASP A 86 -6.640 10.223 2.326 1.00 75.43 C ATOM 1240 O ASP A 86 -6.198 9.540 3.251 1.00 14.21 O ATOM 1241 CB ASP A 86 -8.811 11.156 3.148 1.00 13.14 C ATOM 1242 CG ASP A 86 -10.237 11.529 2.793 1.00 4.21 C ATOM 1243 OD1 ASP A 86 -10.424 12.513 2.045 1.00 72.21 O ATOM 1244 OD2 ASP A 86 -11.165 10.838 3.261 1.00 52.23 O ATOM 0 H ASP A 86 -9.356 8.769 2.805 1.00 63.34 H new ATOM 0 HA ASP A 86 -8.298 10.782 1.095 1.00 5.42 H new ATOM 0 HB2 ASP A 86 -8.806 10.607 4.090 1.00 13.14 H new ATOM 0 HB3 ASP A 86 -8.229 12.064 3.306 1.00 13.14 H new ATOM 1249 N LEU A 87 -5.862 10.916 1.504 1.00 41.15 N ATOM 1250 CA LEU A 87 -4.410 10.918 1.643 1.00 21.43 C ATOM 1251 C LEU A 87 -4.005 10.978 3.112 1.00 2.32 C ATOM 1252 O LEU A 87 -3.121 10.245 3.554 1.00 4.22 O ATOM 1253 CB LEU A 87 -3.806 12.102 0.887 1.00 61.03 C ATOM 1254 CG LEU A 87 -2.331 12.393 1.162 1.00 24.52 C ATOM 1255 CD1 LEU A 87 -1.468 11.209 0.755 1.00 63.40 C ATOM 1256 CD2 LEU A 87 -1.889 13.653 0.432 1.00 20.42 C ATOM 0 H LEU A 87 -6.212 11.485 0.733 1.00 41.15 H new ATOM 0 HA LEU A 87 -4.028 9.991 1.216 1.00 21.43 H new ATOM 0 HB2 LEU A 87 -3.927 11.925 -0.182 1.00 61.03 H new ATOM 0 HB3 LEU A 87 -4.383 12.994 1.130 1.00 61.03 H new ATOM 0 HG LEU A 87 -2.207 12.556 2.233 1.00 24.52 H new ATOM 0 HD11 LEU A 87 -0.421 11.435 0.958 1.00 63.40 H new ATOM 0 HD12 LEU A 87 -1.766 10.329 1.324 1.00 63.40 H new ATOM 0 HD13 LEU A 87 -1.597 11.014 -0.310 1.00 63.40 H new ATOM 0 HD21 LEU A 87 -0.836 13.844 0.640 1.00 20.42 H new ATOM 0 HD22 LEU A 87 -2.029 13.520 -0.641 1.00 20.42 H new ATOM 0 HD23 LEU A 87 -2.485 14.499 0.773 1.00 20.42 H new ATOM 1268 N ALA A 88 -4.659 11.857 3.865 1.00 4.05 N ATOM 1269 CA ALA A 88 -4.369 12.010 5.286 1.00 54.44 C ATOM 1270 C ALA A 88 -4.406 10.665 6.002 1.00 32.32 C ATOM 1271 O ALA A 88 -3.541 10.364 6.826 1.00 3.33 O ATOM 1272 CB ALA A 88 -5.356 12.977 5.924 1.00 12.40 C ATOM 0 H ALA A 88 -5.392 12.473 3.515 1.00 4.05 H new ATOM 0 HA ALA A 88 -3.362 12.416 5.385 1.00 54.44 H new ATOM 0 HB1 ALA A 88 -5.128 13.082 6.985 1.00 12.40 H new ATOM 0 HB2 ALA A 88 -5.278 13.950 5.438 1.00 12.40 H new ATOM 0 HB3 ALA A 88 -6.369 12.593 5.807 1.00 12.40 H new ATOM 1278 N THR A 89 -5.413 9.856 5.683 1.00 1.44 N ATOM 1279 CA THR A 89 -5.562 8.544 6.298 1.00 24.20 C ATOM 1280 C THR A 89 -4.499 7.575 5.792 1.00 53.12 C ATOM 1281 O THR A 89 -4.085 6.664 6.508 1.00 13.23 O ATOM 1282 CB THR A 89 -6.956 7.950 6.021 1.00 44.55 C ATOM 1283 OG1 THR A 89 -7.970 8.818 6.539 1.00 50.00 O ATOM 1284 CG2 THR A 89 -7.092 6.571 6.649 1.00 61.21 C ATOM 0 H THR A 89 -6.137 10.088 5.002 1.00 1.44 H new ATOM 0 HA THR A 89 -5.441 8.683 7.372 1.00 24.20 H new ATOM 0 HB THR A 89 -7.077 7.853 4.942 1.00 44.55 H new ATOM 0 HG1 THR A 89 -8.853 8.434 6.357 1.00 50.00 H new ATOM 0 HG21 THR A 89 -8.085 6.172 6.440 1.00 61.21 H new ATOM 0 HG22 THR A 89 -6.338 5.905 6.231 1.00 61.21 H new ATOM 0 HG23 THR A 89 -6.951 6.647 7.727 1.00 61.21 H new ATOM 1292 N TRP A 90 -4.064 7.777 4.554 1.00 43.40 N ATOM 1293 CA TRP A 90 -3.048 6.921 3.952 1.00 42.51 C ATOM 1294 C TRP A 90 -1.681 7.178 4.576 1.00 24.32 C ATOM 1295 O TRP A 90 -1.027 6.254 5.062 1.00 12.33 O ATOM 1296 CB TRP A 90 -2.985 7.153 2.442 1.00 1.23 C ATOM 1297 CG TRP A 90 -4.023 6.386 1.679 1.00 41.21 C ATOM 1298 CD1 TRP A 90 -4.969 6.901 0.840 1.00 73.44 C ATOM 1299 CD2 TRP A 90 -4.219 4.969 1.688 1.00 31.44 C ATOM 1300 NE1 TRP A 90 -5.742 5.887 0.326 1.00 11.43 N ATOM 1301 CE2 TRP A 90 -5.302 4.692 0.830 1.00 21.35 C ATOM 1302 CE3 TRP A 90 -3.585 3.905 2.336 1.00 30.11 C ATOM 1303 CZ2 TRP A 90 -5.762 3.397 0.607 1.00 13.25 C ATOM 1304 CZ3 TRP A 90 -4.043 2.621 2.113 1.00 34.21 C ATOM 1305 CH2 TRP A 90 -5.123 2.375 1.254 1.00 31.03 C ATOM 0 H TRP A 90 -4.399 8.526 3.947 1.00 43.40 H new ATOM 0 HA TRP A 90 -3.324 5.884 4.141 1.00 42.51 H new ATOM 0 HB2 TRP A 90 -3.108 8.217 2.240 1.00 1.23 H new ATOM 0 HB3 TRP A 90 -1.996 6.872 2.079 1.00 1.23 H new ATOM 0 HD1 TRP A 90 -5.092 7.950 0.614 1.00 73.44 H new ATOM 0 HE1 TRP A 90 -6.518 6.006 -0.325 1.00 11.43 H new ATOM 0 HE3 TRP A 90 -2.752 4.084 2.999 1.00 30.11 H new ATOM 0 HZ2 TRP A 90 -6.595 3.206 -0.054 1.00 13.25 H new ATOM 0 HZ3 TRP A 90 -3.560 1.792 2.609 1.00 34.21 H new ATOM 0 HH2 TRP A 90 -5.457 1.360 1.100 1.00 31.03 H new ATOM 1316 N GLN A 91 -1.253 8.436 4.558 1.00 15.34 N ATOM 1317 CA GLN A 91 0.037 8.812 5.122 1.00 13.22 C ATOM 1318 C GLN A 91 0.272 8.116 6.460 1.00 43.43 C ATOM 1319 O GLN A 91 1.376 7.653 6.744 1.00 50.34 O ATOM 1320 CB GLN A 91 0.116 10.329 5.304 1.00 42.34 C ATOM 1321 CG GLN A 91 0.081 11.101 3.994 1.00 22.31 C ATOM 1322 CD GLN A 91 1.252 12.053 3.847 1.00 61.03 C ATOM 1323 OE1 GLN A 91 1.545 12.838 4.748 1.00 5.13 O ATOM 1324 NE2 GLN A 91 1.928 11.988 2.705 1.00 30.32 N ATOM 0 H GLN A 91 -1.781 9.212 4.159 1.00 15.34 H new ATOM 0 HA GLN A 91 0.814 8.495 4.426 1.00 13.22 H new ATOM 0 HB2 GLN A 91 -0.714 10.655 5.931 1.00 42.34 H new ATOM 0 HB3 GLN A 91 1.034 10.575 5.837 1.00 42.34 H new ATOM 0 HG2 GLN A 91 0.083 10.397 3.162 1.00 22.31 H new ATOM 0 HG3 GLN A 91 -0.850 11.664 3.933 1.00 22.31 H new ATOM 0 HE21 GLN A 91 1.650 11.321 1.985 1.00 30.32 H new ATOM 0 HE22 GLN A 91 2.725 12.605 2.548 1.00 30.32 H new ATOM 1333 N GLU A 92 -0.775 8.047 7.276 1.00 54.30 N ATOM 1334 CA GLU A 92 -0.682 7.408 8.583 1.00 51.51 C ATOM 1335 C GLU A 92 -0.261 5.948 8.446 1.00 32.13 C ATOM 1336 O GLU A 92 0.835 5.565 8.858 1.00 12.21 O ATOM 1337 CB GLU A 92 -2.023 7.498 9.315 1.00 23.52 C ATOM 1338 CG GLU A 92 -2.713 8.841 9.160 1.00 53.42 C ATOM 1339 CD GLU A 92 -2.942 9.537 10.488 1.00 22.13 C ATOM 1340 OE1 GLU A 92 -1.945 9.870 11.162 1.00 10.14 O ATOM 1341 OE2 GLU A 92 -4.117 9.748 10.853 1.00 14.51 O ATOM 0 H GLU A 92 -1.696 8.425 7.055 1.00 54.30 H new ATOM 0 HA GLU A 92 0.077 7.933 9.163 1.00 51.51 H new ATOM 0 HB2 GLU A 92 -2.683 6.715 8.943 1.00 23.52 H new ATOM 0 HB3 GLU A 92 -1.862 7.302 10.375 1.00 23.52 H new ATOM 0 HG2 GLU A 92 -2.110 9.483 8.517 1.00 53.42 H new ATOM 0 HG3 GLU A 92 -3.671 8.697 8.660 1.00 53.42 H new ATOM 1348 N VAL A 93 -1.140 5.137 7.866 1.00 23.43 N ATOM 1349 CA VAL A 93 -0.860 3.718 7.674 1.00 3.41 C ATOM 1350 C VAL A 93 0.601 3.493 7.299 1.00 71.50 C ATOM 1351 O VAL A 93 1.290 2.672 7.907 1.00 73.04 O ATOM 1352 CB VAL A 93 -1.759 3.112 6.582 1.00 61.30 C ATOM 1353 CG1 VAL A 93 -1.548 1.608 6.490 1.00 44.24 C ATOM 1354 CG2 VAL A 93 -3.220 3.437 6.854 1.00 43.52 C ATOM 0 H VAL A 93 -2.052 5.438 7.521 1.00 23.43 H new ATOM 0 HA VAL A 93 -1.069 3.222 8.622 1.00 3.41 H new ATOM 0 HB VAL A 93 -1.484 3.553 5.624 1.00 61.30 H new ATOM 0 HG11 VAL A 93 -2.192 1.197 5.713 1.00 44.24 H new ATOM 0 HG12 VAL A 93 -0.506 1.401 6.245 1.00 44.24 H new ATOM 0 HG13 VAL A 93 -1.794 1.147 7.446 1.00 44.24 H new ATOM 0 HG21 VAL A 93 -3.841 3.001 6.072 1.00 43.52 H new ATOM 0 HG22 VAL A 93 -3.511 3.025 7.820 1.00 43.52 H new ATOM 0 HG23 VAL A 93 -3.356 4.518 6.865 1.00 43.52 H new ATOM 1364 N LEU A 94 1.067 4.225 6.294 1.00 5.23 N ATOM 1365 CA LEU A 94 2.448 4.106 5.837 1.00 13.33 C ATOM 1366 C LEU A 94 3.413 4.691 6.862 1.00 64.24 C ATOM 1367 O LEU A 94 4.543 4.223 7.001 1.00 45.12 O ATOM 1368 CB LEU A 94 2.623 4.814 4.492 1.00 30.20 C ATOM 1369 CG LEU A 94 3.217 3.971 3.363 1.00 34.02 C ATOM 1370 CD1 LEU A 94 4.503 3.298 3.819 1.00 12.10 C ATOM 1371 CD2 LEU A 94 2.210 2.935 2.884 1.00 4.13 C ATOM 0 H LEU A 94 0.510 4.907 5.780 1.00 5.23 H new ATOM 0 HA LEU A 94 2.675 3.047 5.716 1.00 13.33 H new ATOM 0 HB2 LEU A 94 1.650 5.184 4.169 1.00 30.20 H new ATOM 0 HB3 LEU A 94 3.261 5.685 4.643 1.00 30.20 H new ATOM 0 HG LEU A 94 3.453 4.631 2.528 1.00 34.02 H new ATOM 0 HD11 LEU A 94 4.911 2.702 3.002 1.00 12.10 H new ATOM 0 HD12 LEU A 94 5.228 4.058 4.111 1.00 12.10 H new ATOM 0 HD13 LEU A 94 4.293 2.651 4.670 1.00 12.10 H new ATOM 0 HD21 LEU A 94 2.650 2.344 2.080 1.00 4.13 H new ATOM 0 HD22 LEU A 94 1.942 2.279 3.712 1.00 4.13 H new ATOM 0 HD23 LEU A 94 1.316 3.439 2.516 1.00 4.13 H new ATOM 1383 N GLU A 95 2.960 5.715 7.579 1.00 60.53 N ATOM 1384 CA GLU A 95 3.785 6.362 8.592 1.00 13.02 C ATOM 1385 C GLU A 95 4.013 5.434 9.782 1.00 72.20 C ATOM 1386 O GLU A 95 4.941 5.629 10.566 1.00 61.31 O ATOM 1387 CB GLU A 95 3.126 7.660 9.063 1.00 4.54 C ATOM 1388 CG GLU A 95 3.330 8.826 8.112 1.00 44.43 C ATOM 1389 CD GLU A 95 4.413 9.780 8.579 1.00 52.24 C ATOM 1390 OE1 GLU A 95 4.283 10.323 9.696 1.00 20.55 O ATOM 1391 OE2 GLU A 95 5.390 9.983 7.829 1.00 63.34 O ATOM 0 H GLU A 95 2.027 6.114 7.477 1.00 60.53 H new ATOM 0 HA GLU A 95 4.751 6.594 8.144 1.00 13.02 H new ATOM 0 HB2 GLU A 95 2.057 7.489 9.191 1.00 4.54 H new ATOM 0 HB3 GLU A 95 3.526 7.926 10.042 1.00 4.54 H new ATOM 0 HG2 GLU A 95 3.590 8.443 7.125 1.00 44.43 H new ATOM 0 HG3 GLU A 95 2.392 9.371 8.006 1.00 44.43 H new ATOM 1398 N GLY A 96 3.159 4.422 9.908 1.00 2.05 N ATOM 1399 CA GLY A 96 3.284 3.479 11.005 1.00 51.21 C ATOM 1400 C GLY A 96 2.320 3.775 12.136 1.00 74.25 C ATOM 1401 O GLY A 96 2.139 2.955 13.036 1.00 34.24 O ATOM 0 H GLY A 96 2.384 4.239 9.271 1.00 2.05 H new ATOM 0 HA2 GLY A 96 3.106 2.470 10.634 1.00 51.21 H new ATOM 0 HA3 GLY A 96 4.305 3.503 11.386 1.00 51.21 H new ATOM 1405 N ARG A 97 1.699 4.949 12.091 1.00 33.11 N ATOM 1406 CA ARG A 97 0.749 5.350 13.123 1.00 43.34 C ATOM 1407 C ARG A 97 -0.577 4.614 12.957 1.00 22.41 C ATOM 1408 O ARG A 97 -1.331 4.449 13.918 1.00 61.04 O ATOM 1409 CB ARG A 97 0.516 6.862 13.069 1.00 73.05 C ATOM 1410 CG ARG A 97 1.755 7.682 13.389 1.00 74.42 C ATOM 1411 CD ARG A 97 1.478 8.706 14.478 1.00 43.44 C ATOM 1412 NE ARG A 97 2.624 8.884 15.366 1.00 63.01 N ATOM 1413 CZ ARG A 97 2.836 9.982 16.082 1.00 53.11 C ATOM 1414 NH1 ARG A 97 1.984 10.996 16.015 1.00 15.41 N ATOM 1415 NH2 ARG A 97 3.901 10.068 16.869 1.00 41.05 N ATOM 0 H ARG A 97 1.836 5.639 11.352 1.00 33.11 H new ATOM 0 HA ARG A 97 1.171 5.087 14.093 1.00 43.34 H new ATOM 0 HB2 ARG A 97 0.160 7.131 12.074 1.00 73.05 H new ATOM 0 HB3 ARG A 97 -0.274 7.124 13.772 1.00 73.05 H new ATOM 0 HG2 ARG A 97 2.559 7.019 13.707 1.00 74.42 H new ATOM 0 HG3 ARG A 97 2.099 8.191 12.488 1.00 74.42 H new ATOM 0 HD2 ARG A 97 1.222 9.662 14.020 1.00 43.44 H new ATOM 0 HD3 ARG A 97 0.613 8.390 15.061 1.00 43.44 H new ATOM 0 HE ARG A 97 3.299 8.123 15.440 1.00 63.01 H new ATOM 0 HH11 ARG A 97 1.163 10.934 15.412 1.00 15.41 H new ATOM 0 HH12 ARG A 97 2.149 11.838 16.566 1.00 15.41 H new ATOM 0 HH21 ARG A 97 4.558 9.290 16.925 1.00 41.05 H new ATOM 0 HH22 ARG A 97 4.062 10.912 17.418 1.00 41.05 H new ATOM 1429 N LEU A 98 -0.855 4.173 11.735 1.00 14.12 N ATOM 1430 CA LEU A 98 -2.090 3.454 11.445 1.00 71.05 C ATOM 1431 C LEU A 98 -1.797 2.117 10.771 1.00 42.42 C ATOM 1432 O LEU A 98 -0.638 1.753 10.573 1.00 34.25 O ATOM 1433 CB LEU A 98 -2.997 4.301 10.549 1.00 11.14 C ATOM 1434 CG LEU A 98 -3.889 5.317 11.265 1.00 24.52 C ATOM 1435 CD1 LEU A 98 -4.679 6.136 10.257 1.00 12.43 C ATOM 1436 CD2 LEU A 98 -4.827 4.612 12.235 1.00 45.21 C ATOM 0 H LEU A 98 -0.242 4.301 10.930 1.00 14.12 H new ATOM 0 HA LEU A 98 -2.599 3.260 12.389 1.00 71.05 H new ATOM 0 HB2 LEU A 98 -2.371 4.837 9.835 1.00 11.14 H new ATOM 0 HB3 LEU A 98 -3.634 3.630 9.973 1.00 11.14 H new ATOM 0 HG LEU A 98 -3.252 5.995 11.834 1.00 24.52 H new ATOM 0 HD11 LEU A 98 -5.308 6.853 10.784 1.00 12.43 H new ATOM 0 HD12 LEU A 98 -3.990 6.670 9.602 1.00 12.43 H new ATOM 0 HD13 LEU A 98 -5.306 5.473 9.661 1.00 12.43 H new ATOM 0 HD21 LEU A 98 -5.454 5.350 12.736 1.00 45.21 H new ATOM 0 HD22 LEU A 98 -5.457 3.911 11.687 1.00 45.21 H new ATOM 0 HD23 LEU A 98 -4.242 4.069 12.978 1.00 45.21 H new ATOM 1448 N GLU A 99 -2.854 1.393 10.420 1.00 60.12 N ATOM 1449 CA GLU A 99 -2.709 0.097 9.768 1.00 63.10 C ATOM 1450 C GLU A 99 -3.702 -0.048 8.619 1.00 60.42 C ATOM 1451 O GLU A 99 -4.805 0.497 8.645 1.00 53.53 O ATOM 1452 CB GLU A 99 -2.913 -1.034 10.778 1.00 4.41 C ATOM 1453 CG GLU A 99 -1.624 -1.735 11.174 1.00 24.44 C ATOM 1454 CD GLU A 99 -0.869 -0.998 12.263 1.00 51.21 C ATOM 1455 OE1 GLU A 99 -1.219 -1.172 13.450 1.00 64.14 O ATOM 1456 OE2 GLU A 99 0.071 -0.247 11.929 1.00 15.34 O ATOM 0 H GLU A 99 -3.820 1.681 10.576 1.00 60.12 H new ATOM 0 HA GLU A 99 -1.699 0.035 9.363 1.00 63.10 H new ATOM 0 HB2 GLU A 99 -3.387 -0.630 11.673 1.00 4.41 H new ATOM 0 HB3 GLU A 99 -3.601 -1.767 10.356 1.00 4.41 H new ATOM 0 HG2 GLU A 99 -1.854 -2.744 11.516 1.00 24.44 H new ATOM 0 HG3 GLU A 99 -0.984 -1.834 10.297 1.00 24.44 H new ATOM 1463 N PRO A 100 -3.303 -0.803 7.584 1.00 61.12 N ATOM 1464 CA PRO A 100 -4.142 -1.039 6.405 1.00 2.21 C ATOM 1465 C PRO A 100 -5.342 -1.926 6.716 1.00 63.41 C ATOM 1466 O PRO A 100 -6.376 -1.845 6.053 1.00 34.14 O ATOM 1467 CB PRO A 100 -3.195 -1.741 5.430 1.00 34.31 C ATOM 1468 CG PRO A 100 -2.172 -2.391 6.296 1.00 10.43 C ATOM 1469 CD PRO A 100 -2.001 -1.484 7.485 1.00 35.21 C ATOM 0 HA PRO A 100 -4.567 -0.114 6.015 1.00 2.21 H new ATOM 0 HB2 PRO A 100 -3.725 -2.476 4.824 1.00 34.31 H new ATOM 0 HB3 PRO A 100 -2.737 -1.030 4.742 1.00 34.31 H new ATOM 0 HG2 PRO A 100 -2.497 -3.384 6.606 1.00 10.43 H new ATOM 0 HG3 PRO A 100 -1.230 -2.516 5.762 1.00 10.43 H new ATOM 0 HD2 PRO A 100 -1.772 -2.047 8.390 1.00 35.21 H new ATOM 0 HD3 PRO A 100 -1.187 -0.775 7.336 1.00 35.21 H new ATOM 1477 N LEU A 101 -5.198 -2.775 7.728 1.00 3.43 N ATOM 1478 CA LEU A 101 -6.271 -3.679 8.129 1.00 60.15 C ATOM 1479 C LEU A 101 -7.127 -3.056 9.226 1.00 14.13 C ATOM 1480 O LEU A 101 -8.356 -3.095 9.166 1.00 41.34 O ATOM 1481 CB LEU A 101 -5.690 -5.008 8.612 1.00 73.54 C ATOM 1482 CG LEU A 101 -5.453 -6.069 7.536 1.00 73.11 C ATOM 1483 CD1 LEU A 101 -6.603 -7.064 7.506 1.00 72.30 C ATOM 1484 CD2 LEU A 101 -5.276 -5.416 6.172 1.00 12.45 C ATOM 0 H LEU A 101 -4.348 -2.856 8.286 1.00 3.43 H new ATOM 0 HA LEU A 101 -6.904 -3.860 7.260 1.00 60.15 H new ATOM 0 HB2 LEU A 101 -4.742 -4.807 9.110 1.00 73.54 H new ATOM 0 HB3 LEU A 101 -6.363 -5.424 9.362 1.00 73.54 H new ATOM 0 HG LEU A 101 -4.538 -6.608 7.780 1.00 73.11 H new ATOM 0 HD11 LEU A 101 -6.417 -7.811 6.735 1.00 72.30 H new ATOM 0 HD12 LEU A 101 -6.684 -7.555 8.475 1.00 72.30 H new ATOM 0 HD13 LEU A 101 -7.533 -6.539 7.286 1.00 72.30 H new ATOM 0 HD21 LEU A 101 -5.108 -6.186 5.419 1.00 12.45 H new ATOM 0 HD22 LEU A 101 -6.173 -4.851 5.920 1.00 12.45 H new ATOM 0 HD23 LEU A 101 -4.419 -4.743 6.199 1.00 12.45 H new ATOM 1496 N SER A 102 -6.470 -2.479 10.227 1.00 62.31 N ATOM 1497 CA SER A 102 -7.171 -1.848 11.340 1.00 64.44 C ATOM 1498 C SER A 102 -7.992 -0.657 10.858 1.00 52.14 C ATOM 1499 O SER A 102 -9.152 -0.494 11.238 1.00 0.44 O ATOM 1500 CB SER A 102 -6.173 -1.396 12.408 1.00 55.21 C ATOM 1501 OG SER A 102 -6.639 -1.714 13.708 1.00 52.21 O ATOM 0 H SER A 102 -5.453 -2.435 10.290 1.00 62.31 H new ATOM 0 HA SER A 102 -7.849 -2.583 11.775 1.00 64.44 H new ATOM 0 HB2 SER A 102 -5.209 -1.876 12.236 1.00 55.21 H new ATOM 0 HB3 SER A 102 -6.013 -0.321 12.329 1.00 55.21 H new ATOM 0 HG SER A 102 -5.983 -1.417 14.373 1.00 52.21 H new ATOM 1507 N ALA A 103 -7.383 0.174 10.018 1.00 73.52 N ATOM 1508 CA ALA A 103 -8.058 1.350 9.482 1.00 31.33 C ATOM 1509 C ALA A 103 -9.345 0.963 8.761 1.00 40.30 C ATOM 1510 O ALA A 103 -10.426 1.455 9.092 1.00 64.34 O ATOM 1511 CB ALA A 103 -7.132 2.108 8.543 1.00 24.43 C ATOM 0 H ALA A 103 -6.423 0.054 9.694 1.00 73.52 H new ATOM 0 HA ALA A 103 -8.321 1.999 10.317 1.00 31.33 H new ATOM 0 HB1 ALA A 103 -7.649 2.983 8.150 1.00 24.43 H new ATOM 0 HB2 ALA A 103 -6.243 2.426 9.087 1.00 24.43 H new ATOM 0 HB3 ALA A 103 -6.840 1.459 7.718 1.00 24.43 H new ATOM 1517 N LEU A 104 -9.223 0.081 7.775 1.00 31.23 N ATOM 1518 CA LEU A 104 -10.377 -0.372 7.007 1.00 51.21 C ATOM 1519 C LEU A 104 -11.445 -0.960 7.923 1.00 12.12 C ATOM 1520 O LEU A 104 -12.641 -0.820 7.669 1.00 12.32 O ATOM 1521 CB LEU A 104 -9.949 -1.411 5.970 1.00 20.30 C ATOM 1522 CG LEU A 104 -10.344 -2.859 6.269 1.00 42.34 C ATOM 1523 CD1 LEU A 104 -11.799 -3.101 5.902 1.00 34.11 C ATOM 1524 CD2 LEU A 104 -9.436 -3.824 5.521 1.00 65.02 C ATOM 0 H LEU A 104 -8.337 -0.335 7.489 1.00 31.23 H new ATOM 0 HA LEU A 104 -10.801 0.491 6.493 1.00 51.21 H new ATOM 0 HB2 LEU A 104 -10.375 -1.131 5.007 1.00 20.30 H new ATOM 0 HB3 LEU A 104 -8.865 -1.365 5.865 1.00 20.30 H new ATOM 0 HG LEU A 104 -10.226 -3.035 7.338 1.00 42.34 H new ATOM 0 HD11 LEU A 104 -12.062 -4.136 6.121 1.00 34.11 H new ATOM 0 HD12 LEU A 104 -12.436 -2.434 6.482 1.00 34.11 H new ATOM 0 HD13 LEU A 104 -11.943 -2.907 4.839 1.00 34.11 H new ATOM 0 HD21 LEU A 104 -9.731 -4.849 5.745 1.00 65.02 H new ATOM 0 HD22 LEU A 104 -9.522 -3.648 4.449 1.00 65.02 H new ATOM 0 HD23 LEU A 104 -8.403 -3.667 5.832 1.00 65.02 H new ATOM 1536 N MET A 105 -11.004 -1.617 8.991 1.00 73.23 N ATOM 1537 CA MET A 105 -11.923 -2.224 9.947 1.00 71.43 C ATOM 1538 C MET A 105 -12.548 -1.165 10.848 1.00 13.44 C ATOM 1539 O MET A 105 -13.691 -1.303 11.285 1.00 40.00 O ATOM 1540 CB MET A 105 -11.193 -3.267 10.797 1.00 55.13 C ATOM 1541 CG MET A 105 -10.910 -4.564 10.056 1.00 44.40 C ATOM 1542 SD MET A 105 -11.543 -6.012 10.922 1.00 33.43 S ATOM 1543 CE MET A 105 -13.017 -6.362 9.966 1.00 4.30 C ATOM 0 H MET A 105 -10.017 -1.743 9.216 1.00 73.23 H new ATOM 0 HA MET A 105 -12.719 -2.714 9.387 1.00 71.43 H new ATOM 0 HB2 MET A 105 -10.251 -2.844 11.146 1.00 55.13 H new ATOM 0 HB3 MET A 105 -11.791 -3.486 11.681 1.00 55.13 H new ATOM 0 HG2 MET A 105 -11.357 -4.515 9.063 1.00 44.40 H new ATOM 0 HG3 MET A 105 -9.834 -4.671 9.916 1.00 44.40 H new ATOM 0 HE1 MET A 105 -13.814 -6.690 10.633 1.00 4.30 H new ATOM 0 HE2 MET A 105 -13.332 -5.461 9.440 1.00 4.30 H new ATOM 0 HE3 MET A 105 -12.803 -7.149 9.243 1.00 4.30 H new ATOM 1553 N ARG A 106 -11.792 -0.107 11.123 1.00 20.03 N ATOM 1554 CA ARG A 106 -12.272 0.976 11.974 1.00 21.43 C ATOM 1555 C ARG A 106 -13.275 1.850 11.227 1.00 33.31 C ATOM 1556 O ARG A 106 -14.083 2.546 11.840 1.00 52.04 O ATOM 1557 CB ARG A 106 -11.099 1.829 12.461 1.00 32.40 C ATOM 1558 CG ARG A 106 -10.326 1.203 13.610 1.00 73.34 C ATOM 1559 CD ARG A 106 -9.538 2.246 14.386 1.00 62.02 C ATOM 1560 NE ARG A 106 -8.746 1.649 15.457 1.00 30.32 N ATOM 1561 CZ ARG A 106 -8.012 2.355 16.310 1.00 12.14 C ATOM 1562 NH1 ARG A 106 -7.971 3.678 16.218 1.00 61.33 N ATOM 1563 NH2 ARG A 106 -7.318 1.740 17.259 1.00 31.43 N ATOM 0 H ARG A 106 -10.844 0.024 10.769 1.00 20.03 H new ATOM 0 HA ARG A 106 -12.772 0.533 12.835 1.00 21.43 H new ATOM 0 HB2 ARG A 106 -10.418 2.004 11.628 1.00 32.40 H new ATOM 0 HB3 ARG A 106 -11.475 2.803 12.775 1.00 32.40 H new ATOM 0 HG2 ARG A 106 -11.018 0.695 14.281 1.00 73.34 H new ATOM 0 HG3 ARG A 106 -9.645 0.446 13.222 1.00 73.34 H new ATOM 0 HD2 ARG A 106 -8.879 2.783 13.704 1.00 62.02 H new ATOM 0 HD3 ARG A 106 -10.225 2.979 14.809 1.00 62.02 H new ATOM 0 HE ARG A 106 -8.757 0.634 15.556 1.00 30.32 H new ATOM 0 HH11 ARG A 106 -8.504 4.155 15.491 1.00 61.33 H new ATOM 0 HH12 ARG A 106 -7.407 4.218 16.874 1.00 61.33 H new ATOM 0 HH21 ARG A 106 -7.347 0.723 17.335 1.00 31.43 H new ATOM 0 HH22 ARG A 106 -6.755 2.284 17.913 1.00 31.43 H new ATOM 1577 N GLY A 107 -13.216 1.808 9.899 1.00 10.34 N ATOM 1578 CA GLY A 107 -14.124 2.601 9.092 1.00 61.52 C ATOM 1579 C GLY A 107 -13.431 3.770 8.419 1.00 75.50 C ATOM 1580 O GLY A 107 -14.073 4.757 8.059 1.00 41.05 O ATOM 0 H GLY A 107 -12.556 1.239 9.369 1.00 10.34 H new ATOM 0 HA2 GLY A 107 -14.579 1.966 8.332 1.00 61.52 H new ATOM 0 HA3 GLY A 107 -14.932 2.975 9.721 1.00 61.52 H new ATOM 1584 N LEU A 108 -12.118 3.659 8.250 1.00 3.45 N ATOM 1585 CA LEU A 108 -11.336 4.717 7.618 1.00 32.21 C ATOM 1586 C LEU A 108 -11.213 4.478 6.117 1.00 43.12 C ATOM 1587 O LEU A 108 -11.541 5.350 5.310 1.00 30.22 O ATOM 1588 CB LEU A 108 -9.946 4.797 8.249 1.00 25.25 C ATOM 1589 CG LEU A 108 -9.907 4.993 9.766 1.00 55.44 C ATOM 1590 CD1 LEU A 108 -8.486 4.846 10.287 1.00 20.10 C ATOM 1591 CD2 LEU A 108 -10.477 6.353 10.143 1.00 73.53 C ATOM 0 H LEU A 108 -11.572 2.848 8.541 1.00 3.45 H new ATOM 0 HA LEU A 108 -11.854 5.663 7.776 1.00 32.21 H new ATOM 0 HB2 LEU A 108 -9.406 3.882 8.007 1.00 25.25 H new ATOM 0 HB3 LEU A 108 -9.404 5.620 7.782 1.00 25.25 H new ATOM 0 HG LEU A 108 -10.523 4.222 10.228 1.00 55.44 H new ATOM 0 HD11 LEU A 108 -8.478 4.989 11.368 1.00 20.10 H new ATOM 0 HD12 LEU A 108 -8.113 3.850 10.050 1.00 20.10 H new ATOM 0 HD13 LEU A 108 -7.847 5.594 9.818 1.00 20.10 H new ATOM 0 HD21 LEU A 108 -10.441 6.475 11.226 1.00 73.53 H new ATOM 0 HD22 LEU A 108 -9.888 7.138 9.670 1.00 73.53 H new ATOM 0 HD23 LEU A 108 -11.511 6.421 9.804 1.00 73.53 H new ATOM 1603 N LEU A 109 -10.740 3.293 5.748 1.00 5.14 N ATOM 1604 CA LEU A 109 -10.574 2.939 4.342 1.00 30.43 C ATOM 1605 C LEU A 109 -11.814 2.226 3.812 1.00 41.51 C ATOM 1606 O LEU A 109 -12.791 2.038 4.536 1.00 62.42 O ATOM 1607 CB LEU A 109 -9.343 2.049 4.162 1.00 72.33 C ATOM 1608 CG LEU A 109 -8.158 2.347 5.081 1.00 60.15 C ATOM 1609 CD1 LEU A 109 -7.165 1.196 5.061 1.00 4.13 C ATOM 1610 CD2 LEU A 109 -7.481 3.646 4.671 1.00 23.03 C ATOM 0 H LEU A 109 -10.465 2.561 6.402 1.00 5.14 H new ATOM 0 HA LEU A 109 -10.435 3.859 3.774 1.00 30.43 H new ATOM 0 HB2 LEU A 109 -9.644 1.012 4.315 1.00 72.33 H new ATOM 0 HB3 LEU A 109 -9.006 2.134 3.129 1.00 72.33 H new ATOM 0 HG LEU A 109 -8.530 2.460 6.099 1.00 60.15 H new ATOM 0 HD11 LEU A 109 -6.328 1.426 5.721 1.00 4.13 H new ATOM 0 HD12 LEU A 109 -7.657 0.285 5.402 1.00 4.13 H new ATOM 0 HD13 LEU A 109 -6.797 1.051 4.045 1.00 4.13 H new ATOM 0 HD21 LEU A 109 -6.640 3.843 5.335 1.00 23.03 H new ATOM 0 HD22 LEU A 109 -7.121 3.561 3.646 1.00 23.03 H new ATOM 0 HD23 LEU A 109 -8.196 4.466 4.738 1.00 23.03 H new ATOM 1622 N GLU A 110 -11.766 1.832 2.543 1.00 72.21 N ATOM 1623 CA GLU A 110 -12.886 1.139 1.916 1.00 74.33 C ATOM 1624 C GLU A 110 -12.419 0.332 0.708 1.00 32.13 C ATOM 1625 O GLU A 110 -11.900 0.888 -0.261 1.00 41.44 O ATOM 1626 CB GLU A 110 -13.960 2.141 1.490 1.00 75.23 C ATOM 1627 CG GLU A 110 -15.368 1.567 1.503 1.00 61.32 C ATOM 1628 CD GLU A 110 -16.294 2.315 2.442 1.00 50.11 C ATOM 1629 OE1 GLU A 110 -15.884 2.584 3.590 1.00 1.44 O ATOM 1630 OE2 GLU A 110 -17.430 2.630 2.028 1.00 45.30 O ATOM 0 H GLU A 110 -10.965 1.981 1.930 1.00 72.21 H new ATOM 0 HA GLU A 110 -13.311 0.452 2.648 1.00 74.33 H new ATOM 0 HB2 GLU A 110 -13.923 3.005 2.154 1.00 75.23 H new ATOM 0 HB3 GLU A 110 -13.732 2.500 0.486 1.00 75.23 H new ATOM 0 HG2 GLU A 110 -15.778 1.598 0.494 1.00 61.32 H new ATOM 0 HG3 GLU A 110 -15.326 0.519 1.799 1.00 61.32 H new ATOM 1637 N LEU A 111 -12.606 -0.981 0.773 1.00 22.43 N ATOM 1638 CA LEU A 111 -12.204 -1.866 -0.315 1.00 61.33 C ATOM 1639 C LEU A 111 -13.277 -1.920 -1.398 1.00 3.34 C ATOM 1640 O LEU A 111 -14.356 -2.473 -1.191 1.00 31.32 O ATOM 1641 CB LEU A 111 -11.932 -3.273 0.220 1.00 3.31 C ATOM 1642 CG LEU A 111 -11.270 -4.246 -0.757 1.00 5.33 C ATOM 1643 CD1 LEU A 111 -9.772 -3.991 -0.832 1.00 61.21 C ATOM 1644 CD2 LEU A 111 -11.548 -5.684 -0.347 1.00 20.40 C ATOM 0 H LEU A 111 -13.033 -1.457 1.567 1.00 22.43 H new ATOM 0 HA LEU A 111 -11.290 -1.468 -0.755 1.00 61.33 H new ATOM 0 HB2 LEU A 111 -11.298 -3.188 1.103 1.00 3.31 H new ATOM 0 HB3 LEU A 111 -12.878 -3.705 0.547 1.00 3.31 H new ATOM 0 HG LEU A 111 -11.695 -4.083 -1.747 1.00 5.33 H new ATOM 0 HD11 LEU A 111 -9.318 -4.693 -1.532 1.00 61.21 H new ATOM 0 HD12 LEU A 111 -9.593 -2.971 -1.173 1.00 61.21 H new ATOM 0 HD13 LEU A 111 -9.330 -4.126 0.155 1.00 61.21 H new ATOM 0 HD21 LEU A 111 -11.070 -6.363 -1.053 1.00 20.40 H new ATOM 0 HD22 LEU A 111 -11.150 -5.861 0.652 1.00 20.40 H new ATOM 0 HD23 LEU A 111 -12.624 -5.861 -0.346 1.00 20.40 H new ATOM 1656 N LYS A 112 -12.970 -1.343 -2.555 1.00 75.34 N ATOM 1657 CA LYS A 112 -13.906 -1.328 -3.674 1.00 43.12 C ATOM 1658 C LYS A 112 -13.953 -2.688 -4.363 1.00 32.54 C ATOM 1659 O LYS A 112 -15.029 -3.219 -4.639 1.00 22.24 O ATOM 1660 CB LYS A 112 -13.509 -0.248 -4.682 1.00 50.03 C ATOM 1661 CG LYS A 112 -14.129 1.109 -4.395 1.00 61.34 C ATOM 1662 CD LYS A 112 -14.864 1.654 -5.609 1.00 21.35 C ATOM 1663 CE LYS A 112 -13.905 2.294 -6.600 1.00 11.40 C ATOM 1664 NZ LYS A 112 -14.337 3.668 -6.982 1.00 22.22 N ATOM 0 H LYS A 112 -12.081 -0.880 -2.743 1.00 75.34 H new ATOM 0 HA LYS A 112 -14.898 -1.105 -3.282 1.00 43.12 H new ATOM 0 HB2 LYS A 112 -12.424 -0.149 -4.687 1.00 50.03 H new ATOM 0 HB3 LYS A 112 -13.804 -0.569 -5.681 1.00 50.03 H new ATOM 0 HG2 LYS A 112 -14.821 1.024 -3.557 1.00 61.34 H new ATOM 0 HG3 LYS A 112 -13.350 1.810 -4.095 1.00 61.34 H new ATOM 0 HD2 LYS A 112 -15.409 0.847 -6.098 1.00 21.35 H new ATOM 0 HD3 LYS A 112 -15.602 2.389 -5.289 1.00 21.35 H new ATOM 0 HE2 LYS A 112 -12.907 2.335 -6.164 1.00 11.40 H new ATOM 0 HE3 LYS A 112 -13.838 1.673 -7.493 1.00 11.40 H new ATOM 0 HZ1 LYS A 112 -13.657 4.070 -7.659 1.00 22.22 H new ATOM 0 HZ2 LYS A 112 -15.279 3.626 -7.421 1.00 22.22 H new ATOM 0 HZ3 LYS A 112 -14.377 4.268 -6.133 1.00 22.22 H new ATOM 1678 N LYS A 113 -12.780 -3.249 -4.636 1.00 51.21 N ATOM 1679 CA LYS A 113 -12.686 -4.549 -5.290 1.00 1.03 C ATOM 1680 C LYS A 113 -12.534 -5.666 -4.262 1.00 13.45 C ATOM 1681 O LYS A 113 -12.792 -5.469 -3.075 1.00 61.21 O ATOM 1682 CB LYS A 113 -11.504 -4.571 -6.261 1.00 41.33 C ATOM 1683 CG LYS A 113 -11.804 -5.279 -7.570 1.00 53.20 C ATOM 1684 CD LYS A 113 -11.741 -4.323 -8.750 1.00 4.03 C ATOM 1685 CE LYS A 113 -12.889 -4.557 -9.719 1.00 44.45 C ATOM 1686 NZ LYS A 113 -13.786 -3.372 -9.811 1.00 13.33 N ATOM 0 H LYS A 113 -11.880 -2.823 -4.414 1.00 51.21 H new ATOM 0 HA LYS A 113 -13.608 -4.714 -5.847 1.00 1.03 H new ATOM 0 HB2 LYS A 113 -11.200 -3.546 -6.474 1.00 41.33 H new ATOM 0 HB3 LYS A 113 -10.658 -5.060 -5.779 1.00 41.33 H new ATOM 0 HG2 LYS A 113 -11.090 -6.089 -7.718 1.00 53.20 H new ATOM 0 HG3 LYS A 113 -12.794 -5.732 -7.521 1.00 53.20 H new ATOM 0 HD2 LYS A 113 -11.772 -3.295 -8.389 1.00 4.03 H new ATOM 0 HD3 LYS A 113 -10.792 -4.449 -9.271 1.00 4.03 H new ATOM 0 HE2 LYS A 113 -12.490 -4.788 -10.707 1.00 44.45 H new ATOM 0 HE3 LYS A 113 -13.465 -5.425 -9.397 1.00 44.45 H new ATOM 0 HZ1 LYS A 113 -14.556 -3.571 -10.481 1.00 13.33 H new ATOM 0 HZ2 LYS A 113 -14.187 -3.167 -8.874 1.00 13.33 H new ATOM 0 HZ3 LYS A 113 -13.242 -2.550 -10.142 1.00 13.33 H new ATOM 1700 N GLY A 114 -12.112 -6.838 -4.725 1.00 40.45 N ATOM 1701 CA GLY A 114 -11.932 -7.968 -3.833 1.00 43.31 C ATOM 1702 C GLY A 114 -12.950 -7.987 -2.711 1.00 35.24 C ATOM 1703 O GLY A 114 -14.114 -7.641 -2.911 1.00 11.32 O ATOM 0 H GLY A 114 -11.891 -7.025 -5.703 1.00 40.45 H new ATOM 0 HA2 GLY A 114 -12.007 -8.893 -4.404 1.00 43.31 H new ATOM 0 HA3 GLY A 114 -10.928 -7.936 -3.409 1.00 43.31 H new ATOM 1707 N THR A 115 -12.513 -8.397 -1.524 1.00 1.13 N ATOM 1708 CA THR A 115 -13.393 -8.463 -0.365 1.00 70.44 C ATOM 1709 C THR A 115 -12.595 -8.521 0.932 1.00 5.22 C ATOM 1710 O THR A 115 -11.474 -9.030 0.959 1.00 32.24 O ATOM 1711 CB THR A 115 -14.323 -9.690 -0.437 1.00 63.52 C ATOM 1712 OG1 THR A 115 -15.514 -9.447 0.319 1.00 53.22 O ATOM 1713 CG2 THR A 115 -13.623 -10.931 0.097 1.00 44.24 C ATOM 0 H THR A 115 -11.553 -8.689 -1.341 1.00 1.13 H new ATOM 0 HA THR A 115 -13.996 -7.555 -0.375 1.00 70.44 H new ATOM 0 HB THR A 115 -14.584 -9.860 -1.482 1.00 63.52 H new ATOM 0 HG1 THR A 115 -16.100 -10.231 0.267 1.00 53.22 H new ATOM 0 HG21 THR A 115 -14.299 -11.784 0.036 1.00 44.24 H new ATOM 0 HG22 THR A 115 -12.732 -11.131 -0.498 1.00 44.24 H new ATOM 0 HG23 THR A 115 -13.336 -10.768 1.136 1.00 44.24 H new ATOM 1721 N ILE A 116 -13.177 -7.996 2.004 1.00 55.12 N ATOM 1722 CA ILE A 116 -12.520 -7.989 3.305 1.00 71.12 C ATOM 1723 C ILE A 116 -12.332 -9.408 3.833 1.00 50.34 C ATOM 1724 O ILE A 116 -11.364 -9.696 4.535 1.00 12.24 O ATOM 1725 CB ILE A 116 -13.319 -7.171 4.336 1.00 61.22 C ATOM 1726 CG1 ILE A 116 -12.448 -6.852 5.552 1.00 10.24 C ATOM 1727 CG2 ILE A 116 -14.570 -7.927 4.757 1.00 33.52 C ATOM 1728 CD1 ILE A 116 -13.155 -6.025 6.603 1.00 53.24 C ATOM 0 H ILE A 116 -14.103 -7.569 1.998 1.00 55.12 H new ATOM 0 HA ILE A 116 -11.544 -7.524 3.163 1.00 71.12 H new ATOM 0 HB ILE A 116 -13.624 -6.232 3.875 1.00 61.22 H new ATOM 0 HG12 ILE A 116 -12.111 -7.786 6.002 1.00 10.24 H new ATOM 0 HG13 ILE A 116 -11.557 -6.319 5.220 1.00 10.24 H new ATOM 0 HG21 ILE A 116 -15.124 -7.336 5.486 1.00 33.52 H new ATOM 0 HG22 ILE A 116 -15.197 -8.107 3.884 1.00 33.52 H new ATOM 0 HG23 ILE A 116 -14.286 -8.880 5.203 1.00 33.52 H new ATOM 0 HD11 ILE A 116 -12.477 -5.838 7.435 1.00 53.24 H new ATOM 0 HD12 ILE A 116 -13.468 -5.075 6.169 1.00 53.24 H new ATOM 0 HD13 ILE A 116 -14.031 -6.565 6.963 1.00 53.24 H new ATOM 1740 N ALA A 117 -13.265 -10.290 3.488 1.00 61.03 N ATOM 1741 CA ALA A 117 -13.200 -11.679 3.924 1.00 55.42 C ATOM 1742 C ALA A 117 -11.922 -12.350 3.433 1.00 31.00 C ATOM 1743 O ALA A 117 -11.565 -13.435 3.888 1.00 31.54 O ATOM 1744 CB ALA A 117 -14.422 -12.443 3.434 1.00 3.44 C ATOM 0 H ALA A 117 -14.074 -10.067 2.908 1.00 61.03 H new ATOM 0 HA ALA A 117 -13.189 -11.692 5.014 1.00 55.42 H new ATOM 0 HB1 ALA A 117 -14.361 -13.479 3.767 1.00 3.44 H new ATOM 0 HB2 ALA A 117 -15.324 -11.985 3.839 1.00 3.44 H new ATOM 0 HB3 ALA A 117 -14.457 -12.413 2.345 1.00 3.44 H new ATOM 1750 N ALA A 118 -11.237 -11.697 2.499 1.00 33.14 N ATOM 1751 CA ALA A 118 -9.998 -12.230 1.947 1.00 54.50 C ATOM 1752 C ALA A 118 -8.790 -11.743 2.740 1.00 65.52 C ATOM 1753 O ALA A 118 -7.652 -12.111 2.445 1.00 71.34 O ATOM 1754 CB ALA A 118 -9.862 -11.841 0.482 1.00 34.23 C ATOM 0 H ALA A 118 -11.520 -10.798 2.109 1.00 33.14 H new ATOM 0 HA ALA A 118 -10.034 -13.317 2.021 1.00 54.50 H new ATOM 0 HB1 ALA A 118 -8.932 -12.246 0.083 1.00 34.23 H new ATOM 0 HB2 ALA A 118 -10.704 -12.243 -0.081 1.00 34.23 H new ATOM 0 HB3 ALA A 118 -9.852 -10.755 0.393 1.00 34.23 H new ATOM 1760 N LEU A 119 -9.044 -10.914 3.746 1.00 21.15 N ATOM 1761 CA LEU A 119 -7.975 -10.375 4.582 1.00 75.11 C ATOM 1762 C LEU A 119 -8.005 -11.000 5.973 1.00 14.42 C ATOM 1763 O LEU A 119 -7.197 -10.657 6.835 1.00 31.12 O ATOM 1764 CB LEU A 119 -8.102 -8.854 4.689 1.00 31.44 C ATOM 1765 CG LEU A 119 -8.471 -8.120 3.400 1.00 40.34 C ATOM 1766 CD1 LEU A 119 -8.948 -6.709 3.708 1.00 42.52 C ATOM 1767 CD2 LEU A 119 -7.285 -8.088 2.447 1.00 74.14 C ATOM 0 H LEU A 119 -9.980 -10.600 4.003 1.00 21.15 H new ATOM 0 HA LEU A 119 -7.022 -10.621 4.114 1.00 75.11 H new ATOM 0 HB2 LEU A 119 -8.855 -8.624 5.443 1.00 31.44 H new ATOM 0 HB3 LEU A 119 -7.155 -8.455 5.053 1.00 31.44 H new ATOM 0 HG LEU A 119 -9.285 -8.660 2.917 1.00 40.34 H new ATOM 0 HD11 LEU A 119 -9.206 -6.201 2.779 1.00 42.52 H new ATOM 0 HD12 LEU A 119 -9.826 -6.754 4.353 1.00 42.52 H new ATOM 0 HD13 LEU A 119 -8.154 -6.159 4.213 1.00 42.52 H new ATOM 0 HD21 LEU A 119 -7.565 -7.562 1.535 1.00 74.14 H new ATOM 0 HD22 LEU A 119 -6.451 -7.572 2.922 1.00 74.14 H new ATOM 0 HD23 LEU A 119 -6.988 -9.108 2.201 1.00 74.14 H new ATOM 1779 N ALA A 120 -8.943 -11.918 6.184 1.00 42.33 N ATOM 1780 CA ALA A 120 -9.076 -12.593 7.469 1.00 40.14 C ATOM 1781 C ALA A 120 -7.766 -13.257 7.878 1.00 23.42 C ATOM 1782 O ALA A 120 -7.178 -12.940 8.913 1.00 61.32 O ATOM 1783 CB ALA A 120 -10.195 -13.621 7.411 1.00 35.45 C ATOM 0 H ALA A 120 -9.622 -12.211 5.481 1.00 42.33 H new ATOM 0 HA ALA A 120 -9.324 -11.844 8.221 1.00 40.14 H new ATOM 0 HB1 ALA A 120 -10.283 -14.118 8.377 1.00 35.45 H new ATOM 0 HB2 ALA A 120 -11.135 -13.123 7.172 1.00 35.45 H new ATOM 0 HB3 ALA A 120 -9.970 -14.360 6.642 1.00 35.45 H new ATOM 1789 N PRO A 121 -7.295 -14.201 7.049 1.00 10.22 N ATOM 1790 CA PRO A 121 -6.050 -14.930 7.305 1.00 65.12 C ATOM 1791 C PRO A 121 -4.817 -14.043 7.152 1.00 74.44 C ATOM 1792 O PRO A 121 -3.794 -14.271 7.797 1.00 11.24 O ATOM 1793 CB PRO A 121 -6.054 -16.027 6.237 1.00 31.12 C ATOM 1794 CG PRO A 121 -6.895 -15.480 5.136 1.00 44.43 C ATOM 1795 CD PRO A 121 -7.943 -14.630 5.798 1.00 11.41 C ATOM 0 HA PRO A 121 -6.003 -15.310 8.326 1.00 65.12 H new ATOM 0 HB2 PRO A 121 -5.044 -16.247 5.892 1.00 31.12 H new ATOM 0 HB3 PRO A 121 -6.468 -16.957 6.626 1.00 31.12 H new ATOM 0 HG2 PRO A 121 -6.295 -14.890 4.443 1.00 44.43 H new ATOM 0 HG3 PRO A 121 -7.352 -16.283 4.558 1.00 44.43 H new ATOM 0 HD2 PRO A 121 -8.221 -13.778 5.177 1.00 11.41 H new ATOM 0 HD3 PRO A 121 -8.855 -15.195 5.991 1.00 11.41 H new ATOM 1803 N TYR A 122 -4.924 -13.034 6.296 1.00 50.11 N ATOM 1804 CA TYR A 122 -3.818 -12.114 6.057 1.00 11.23 C ATOM 1805 C TYR A 122 -4.083 -10.761 6.711 1.00 22.34 C ATOM 1806 O TYR A 122 -3.942 -9.716 6.079 1.00 54.55 O ATOM 1807 CB TYR A 122 -3.593 -11.932 4.555 1.00 13.34 C ATOM 1808 CG TYR A 122 -3.695 -13.218 3.768 1.00 64.13 C ATOM 1809 CD1 TYR A 122 -2.632 -14.111 3.718 1.00 65.12 C ATOM 1810 CD2 TYR A 122 -4.854 -13.541 3.072 1.00 22.32 C ATOM 1811 CE1 TYR A 122 -2.719 -15.288 2.998 1.00 3.41 C ATOM 1812 CE2 TYR A 122 -4.951 -14.715 2.352 1.00 73.23 C ATOM 1813 CZ TYR A 122 -3.881 -15.585 2.318 1.00 22.41 C ATOM 1814 OH TYR A 122 -3.974 -16.756 1.600 1.00 64.14 O ATOM 0 H TYR A 122 -5.765 -12.832 5.756 1.00 50.11 H new ATOM 0 HA TYR A 122 -2.920 -12.543 6.502 1.00 11.23 H new ATOM 0 HB2 TYR A 122 -4.324 -11.221 4.170 1.00 13.34 H new ATOM 0 HB3 TYR A 122 -2.608 -11.494 4.394 1.00 13.34 H new ATOM 0 HD1 TYR A 122 -1.721 -13.882 4.251 1.00 65.12 H new ATOM 0 HD2 TYR A 122 -5.693 -12.862 3.095 1.00 22.32 H new ATOM 0 HE1 TYR A 122 -1.882 -15.970 2.968 1.00 3.41 H new ATOM 0 HE2 TYR A 122 -5.860 -14.951 1.818 1.00 73.23 H new ATOM 0 HH TYR A 122 -3.410 -16.695 0.801 1.00 64.14 H new ATOM 1824 N ALA A 123 -4.467 -10.791 7.984 1.00 62.42 N ATOM 1825 CA ALA A 123 -4.750 -9.570 8.725 1.00 3.42 C ATOM 1826 C ALA A 123 -3.521 -9.100 9.498 1.00 51.53 C ATOM 1827 O ALA A 123 -3.404 -7.923 9.837 1.00 31.34 O ATOM 1828 CB ALA A 123 -5.920 -9.786 9.673 1.00 41.43 C ATOM 0 H ALA A 123 -4.589 -11.649 8.522 1.00 62.42 H new ATOM 0 HA ALA A 123 -5.016 -8.793 8.008 1.00 3.42 H new ATOM 0 HB1 ALA A 123 -6.120 -8.865 10.220 1.00 41.43 H new ATOM 0 HB2 ALA A 123 -6.804 -10.068 9.101 1.00 41.43 H new ATOM 0 HB3 ALA A 123 -5.675 -10.581 10.378 1.00 41.43 H new ATOM 1834 N GLN A 124 -2.610 -10.028 9.771 1.00 1.45 N ATOM 1835 CA GLN A 124 -1.391 -9.707 10.505 1.00 3.42 C ATOM 1836 C GLN A 124 -0.257 -9.354 9.549 1.00 65.41 C ATOM 1837 O GLN A 124 0.474 -8.388 9.765 1.00 21.41 O ATOM 1838 CB GLN A 124 -0.980 -10.885 11.391 1.00 5.43 C ATOM 1839 CG GLN A 124 -1.631 -10.869 12.765 1.00 60.15 C ATOM 1840 CD GLN A 124 -2.518 -12.075 13.003 1.00 50.51 C ATOM 1841 OE1 GLN A 124 -2.044 -13.139 13.400 1.00 34.42 O ATOM 1842 NE2 GLN A 124 -3.815 -11.914 12.761 1.00 64.51 N ATOM 0 H GLN A 124 -2.692 -11.007 9.496 1.00 1.45 H new ATOM 0 HA GLN A 124 -1.593 -8.841 11.135 1.00 3.42 H new ATOM 0 HB2 GLN A 124 -1.239 -11.816 10.886 1.00 5.43 H new ATOM 0 HB3 GLN A 124 0.103 -10.878 11.511 1.00 5.43 H new ATOM 0 HG2 GLN A 124 -0.855 -10.836 13.530 1.00 60.15 H new ATOM 0 HG3 GLN A 124 -2.223 -9.960 12.872 1.00 60.15 H new ATOM 0 HE21 GLN A 124 -4.165 -11.014 12.433 1.00 64.51 H new ATOM 0 HE22 GLN A 124 -4.461 -12.691 12.904 1.00 64.51 H new ATOM 1851 N ALA A 125 -0.114 -10.145 8.490 1.00 71.11 N ATOM 1852 CA ALA A 125 0.930 -9.916 7.500 1.00 41.33 C ATOM 1853 C ALA A 125 1.073 -8.430 7.186 1.00 23.14 C ATOM 1854 O ALA A 125 2.174 -7.942 6.933 1.00 72.53 O ATOM 1855 CB ALA A 125 0.635 -10.699 6.229 1.00 40.33 C ATOM 0 H ALA A 125 -0.709 -10.951 8.296 1.00 71.11 H new ATOM 0 HA ALA A 125 1.874 -10.265 7.918 1.00 41.33 H new ATOM 0 HB1 ALA A 125 1.424 -10.518 5.499 1.00 40.33 H new ATOM 0 HB2 ALA A 125 0.591 -11.763 6.459 1.00 40.33 H new ATOM 0 HB3 ALA A 125 -0.322 -10.377 5.817 1.00 40.33 H new ATOM 1861 N ALA A 126 -0.048 -7.716 7.204 1.00 41.21 N ATOM 1862 CA ALA A 126 -0.048 -6.286 6.923 1.00 63.00 C ATOM 1863 C ALA A 126 1.130 -5.594 7.601 1.00 10.03 C ATOM 1864 O ALA A 126 1.924 -4.917 6.948 1.00 33.42 O ATOM 1865 CB ALA A 126 -1.360 -5.660 7.371 1.00 10.02 C ATOM 0 H ALA A 126 -0.968 -8.105 7.410 1.00 41.21 H new ATOM 0 HA ALA A 126 0.056 -6.152 5.846 1.00 63.00 H new ATOM 0 HB1 ALA A 126 -1.346 -4.592 7.155 1.00 10.02 H new ATOM 0 HB2 ALA A 126 -2.187 -6.127 6.837 1.00 10.02 H new ATOM 0 HB3 ALA A 126 -1.488 -5.812 8.443 1.00 10.02 H new ATOM 1871 N GLN A 127 1.236 -5.767 8.915 1.00 34.33 N ATOM 1872 CA GLN A 127 2.316 -5.157 9.681 1.00 25.23 C ATOM 1873 C GLN A 127 3.643 -5.272 8.938 1.00 13.20 C ATOM 1874 O GLN A 127 4.467 -4.360 8.977 1.00 41.34 O ATOM 1875 CB GLN A 127 2.431 -5.817 11.057 1.00 74.20 C ATOM 1876 CG GLN A 127 1.597 -5.135 12.129 1.00 14.44 C ATOM 1877 CD GLN A 127 2.334 -5.008 13.448 1.00 52.21 C ATOM 1878 OE1 GLN A 127 2.090 -5.770 14.385 1.00 51.04 O ATOM 1879 NE2 GLN A 127 3.242 -4.043 13.529 1.00 22.21 N ATOM 0 H GLN A 127 0.587 -6.324 9.471 1.00 34.33 H new ATOM 0 HA GLN A 127 2.083 -4.100 9.811 1.00 25.23 H new ATOM 0 HB2 GLN A 127 2.124 -6.860 10.978 1.00 74.20 H new ATOM 0 HB3 GLN A 127 3.476 -5.815 11.366 1.00 74.20 H new ATOM 0 HG2 GLN A 127 1.307 -4.143 11.782 1.00 14.44 H new ATOM 0 HG3 GLN A 127 0.678 -5.700 12.283 1.00 14.44 H new ATOM 0 HE21 GLN A 127 3.412 -3.434 12.728 1.00 22.21 H new ATOM 0 HE22 GLN A 127 3.769 -3.910 14.392 1.00 22.21 H new ATOM 1888 N GLU A 128 3.841 -6.399 8.262 1.00 42.12 N ATOM 1889 CA GLU A 128 5.069 -6.632 7.511 1.00 63.45 C ATOM 1890 C GLU A 128 5.195 -5.646 6.353 1.00 12.42 C ATOM 1891 O GLU A 128 6.119 -4.833 6.313 1.00 3.51 O ATOM 1892 CB GLU A 128 5.102 -8.066 6.977 1.00 22.31 C ATOM 1893 CG GLU A 128 4.971 -9.122 8.062 1.00 60.31 C ATOM 1894 CD GLU A 128 6.126 -9.096 9.044 1.00 12.11 C ATOM 1895 OE1 GLU A 128 7.289 -9.086 8.590 1.00 3.34 O ATOM 1896 OE2 GLU A 128 5.867 -9.086 10.265 1.00 32.31 O ATOM 0 H GLU A 128 3.168 -7.164 8.219 1.00 42.12 H new ATOM 0 HA GLU A 128 5.911 -6.483 8.187 1.00 63.45 H new ATOM 0 HB2 GLU A 128 4.294 -8.195 6.256 1.00 22.31 H new ATOM 0 HB3 GLU A 128 6.037 -8.223 6.439 1.00 22.31 H new ATOM 0 HG2 GLU A 128 4.037 -8.969 8.602 1.00 60.31 H new ATOM 0 HG3 GLU A 128 4.914 -10.107 7.600 1.00 60.31 H new ATOM 1903 N LEU A 129 4.259 -5.723 5.413 1.00 4.51 N ATOM 1904 CA LEU A 129 4.265 -4.836 4.254 1.00 34.33 C ATOM 1905 C LEU A 129 4.697 -3.428 4.648 1.00 0.30 C ATOM 1906 O LEU A 129 5.516 -2.806 3.969 1.00 15.33 O ATOM 1907 CB LEU A 129 2.876 -4.796 3.613 1.00 40.12 C ATOM 1908 CG LEU A 129 2.540 -5.948 2.666 1.00 22.24 C ATOM 1909 CD1 LEU A 129 1.306 -6.694 3.150 1.00 31.23 C ATOM 1910 CD2 LEU A 129 2.332 -5.432 1.250 1.00 44.33 C ATOM 0 H LEU A 129 3.487 -6.390 5.430 1.00 4.51 H new ATOM 0 HA LEU A 129 4.982 -5.226 3.531 1.00 34.33 H new ATOM 0 HB2 LEU A 129 2.131 -4.777 4.409 1.00 40.12 H new ATOM 0 HB3 LEU A 129 2.779 -3.860 3.063 1.00 40.12 H new ATOM 0 HG LEU A 129 3.380 -6.643 2.658 1.00 22.24 H new ATOM 0 HD11 LEU A 129 1.082 -7.511 2.464 1.00 31.23 H new ATOM 0 HD12 LEU A 129 1.492 -7.097 4.145 1.00 31.23 H new ATOM 0 HD13 LEU A 129 0.459 -6.009 3.188 1.00 31.23 H new ATOM 0 HD21 LEU A 129 2.094 -6.266 0.590 1.00 44.33 H new ATOM 0 HD22 LEU A 129 1.510 -4.716 1.241 1.00 44.33 H new ATOM 0 HD23 LEU A 129 3.243 -4.944 0.903 1.00 44.33 H new ATOM 1922 N VAL A 130 4.144 -2.930 5.749 1.00 34.31 N ATOM 1923 CA VAL A 130 4.475 -1.596 6.235 1.00 23.23 C ATOM 1924 C VAL A 130 5.957 -1.486 6.572 1.00 44.24 C ATOM 1925 O VAL A 130 6.651 -0.588 6.092 1.00 74.44 O ATOM 1926 CB VAL A 130 3.648 -1.232 7.483 1.00 40.24 C ATOM 1927 CG1 VAL A 130 3.992 0.171 7.961 1.00 75.22 C ATOM 1928 CG2 VAL A 130 2.160 -1.354 7.190 1.00 60.23 C ATOM 0 H VAL A 130 3.464 -3.431 6.322 1.00 34.31 H new ATOM 0 HA VAL A 130 4.235 -0.898 5.433 1.00 23.23 H new ATOM 0 HB VAL A 130 3.897 -1.933 8.280 1.00 40.24 H new ATOM 0 HG11 VAL A 130 3.398 0.411 8.843 1.00 75.22 H new ATOM 0 HG12 VAL A 130 5.051 0.220 8.212 1.00 75.22 H new ATOM 0 HG13 VAL A 130 3.773 0.889 7.170 1.00 75.22 H new ATOM 0 HG21 VAL A 130 1.591 -1.093 8.082 1.00 60.23 H new ATOM 0 HG22 VAL A 130 1.892 -0.677 6.378 1.00 60.23 H new ATOM 0 HG23 VAL A 130 1.929 -2.379 6.899 1.00 60.23 H new ATOM 1938 N LYS A 131 6.440 -2.405 7.402 1.00 73.43 N ATOM 1939 CA LYS A 131 7.842 -2.415 7.803 1.00 42.40 C ATOM 1940 C LYS A 131 8.743 -2.014 6.639 1.00 2.01 C ATOM 1941 O LYS A 131 9.441 -1.002 6.701 1.00 4.13 O ATOM 1942 CB LYS A 131 8.238 -3.801 8.315 1.00 44.00 C ATOM 1943 CG LYS A 131 9.234 -3.764 9.461 1.00 74.24 C ATOM 1944 CD LYS A 131 9.040 -4.937 10.407 1.00 60.11 C ATOM 1945 CE LYS A 131 9.809 -6.163 9.939 1.00 2.13 C ATOM 1946 NZ LYS A 131 11.057 -6.368 10.725 1.00 31.14 N ATOM 0 H LYS A 131 5.880 -3.153 7.810 1.00 73.43 H new ATOM 0 HA LYS A 131 7.970 -1.689 8.606 1.00 42.40 H new ATOM 0 HB2 LYS A 131 7.342 -4.329 8.641 1.00 44.00 H new ATOM 0 HB3 LYS A 131 8.665 -4.375 7.492 1.00 44.00 H new ATOM 0 HG2 LYS A 131 10.249 -3.780 9.063 1.00 74.24 H new ATOM 0 HG3 LYS A 131 9.122 -2.830 10.011 1.00 74.24 H new ATOM 0 HD2 LYS A 131 9.372 -4.658 11.407 1.00 60.11 H new ATOM 0 HD3 LYS A 131 7.979 -5.177 10.478 1.00 60.11 H new ATOM 0 HE2 LYS A 131 9.175 -7.045 10.028 1.00 2.13 H new ATOM 0 HE3 LYS A 131 10.058 -6.054 8.883 1.00 2.13 H new ATOM 0 HZ1 LYS A 131 11.552 -7.213 10.376 1.00 31.14 H new ATOM 0 HZ2 LYS A 131 11.674 -5.537 10.620 1.00 31.14 H new ATOM 0 HZ3 LYS A 131 10.818 -6.497 11.729 1.00 31.14 H new ATOM 1960 N VAL A 132 8.723 -2.814 5.577 1.00 33.04 N ATOM 1961 CA VAL A 132 9.536 -2.541 4.398 1.00 33.34 C ATOM 1962 C VAL A 132 9.099 -1.250 3.716 1.00 5.14 C ATOM 1963 O VAL A 132 9.931 -0.436 3.316 1.00 53.22 O ATOM 1964 CB VAL A 132 9.458 -3.697 3.383 1.00 0.45 C ATOM 1965 CG1 VAL A 132 10.276 -3.374 2.142 1.00 23.43 C ATOM 1966 CG2 VAL A 132 9.928 -4.997 4.020 1.00 54.34 C ATOM 0 H VAL A 132 8.152 -3.657 5.509 1.00 33.04 H new ATOM 0 HA VAL A 132 10.566 -2.437 4.740 1.00 33.34 H new ATOM 0 HB VAL A 132 8.419 -3.823 3.080 1.00 0.45 H new ATOM 0 HG11 VAL A 132 10.209 -4.202 1.436 1.00 23.43 H new ATOM 0 HG12 VAL A 132 9.888 -2.468 1.676 1.00 23.43 H new ATOM 0 HG13 VAL A 132 11.318 -3.220 2.423 1.00 23.43 H new ATOM 0 HG21 VAL A 132 9.866 -5.803 3.289 1.00 54.34 H new ATOM 0 HG22 VAL A 132 10.960 -4.887 4.353 1.00 54.34 H new ATOM 0 HG23 VAL A 132 9.294 -5.233 4.875 1.00 54.34 H new ATOM 1976 N ALA A 133 7.789 -1.068 3.587 1.00 2.04 N ATOM 1977 CA ALA A 133 7.242 0.125 2.956 1.00 13.33 C ATOM 1978 C ALA A 133 7.890 1.388 3.514 1.00 14.20 C ATOM 1979 O ALA A 133 7.853 2.446 2.884 1.00 11.14 O ATOM 1980 CB ALA A 133 5.732 0.177 3.143 1.00 5.34 C ATOM 0 H ALA A 133 7.087 -1.733 3.912 1.00 2.04 H new ATOM 0 HA ALA A 133 7.463 0.075 1.890 1.00 13.33 H new ATOM 0 HB1 ALA A 133 5.337 1.074 2.666 1.00 5.34 H new ATOM 0 HB2 ALA A 133 5.279 -0.705 2.690 1.00 5.34 H new ATOM 0 HB3 ALA A 133 5.498 0.199 4.207 1.00 5.34 H new ATOM 1986 N ARG A 134 8.479 1.270 4.698 1.00 3.34 N ATOM 1987 CA ARG A 134 9.134 2.403 5.342 1.00 13.10 C ATOM 1988 C ARG A 134 10.609 2.470 4.958 1.00 0.11 C ATOM 1989 O ARG A 134 11.148 3.549 4.714 1.00 23.51 O ATOM 1990 CB ARG A 134 8.996 2.303 6.863 1.00 65.24 C ATOM 1991 CG ARG A 134 7.599 2.617 7.370 1.00 54.54 C ATOM 1992 CD ARG A 134 7.516 2.500 8.884 1.00 14.24 C ATOM 1993 NE ARG A 134 8.257 3.564 9.556 1.00 14.13 N ATOM 1994 CZ ARG A 134 9.557 3.500 9.822 1.00 12.30 C ATOM 1995 NH1 ARG A 134 10.255 2.428 9.473 1.00 50.40 N ATOM 1996 NH2 ARG A 134 10.159 4.509 10.437 1.00 43.40 N ATOM 0 H ARG A 134 8.517 0.402 5.232 1.00 3.34 H new ATOM 0 HA ARG A 134 8.646 3.315 4.999 1.00 13.10 H new ATOM 0 HB2 ARG A 134 9.270 1.296 7.179 1.00 65.24 H new ATOM 0 HB3 ARG A 134 9.705 2.987 7.329 1.00 65.24 H new ATOM 0 HG2 ARG A 134 7.319 3.626 7.066 1.00 54.54 H new ATOM 0 HG3 ARG A 134 6.883 1.935 6.912 1.00 54.54 H new ATOM 0 HD2 ARG A 134 6.471 2.534 9.194 1.00 14.24 H new ATOM 0 HD3 ARG A 134 7.909 1.532 9.195 1.00 14.24 H new ATOM 0 HE ARG A 134 7.748 4.402 9.837 1.00 14.13 H new ATOM 0 HH11 ARG A 134 9.794 1.651 9.000 1.00 50.40 H new ATOM 0 HH12 ARG A 134 11.253 2.380 9.678 1.00 50.40 H new ATOM 0 HH21 ARG A 134 9.624 5.335 10.706 1.00 43.40 H new ATOM 0 HH22 ARG A 134 11.157 4.459 10.641 1.00 43.40 H new ATOM 2010 N GLU A 135 11.254 1.309 4.906 1.00 5.03 N ATOM 2011 CA GLU A 135 12.667 1.237 4.553 1.00 64.12 C ATOM 2012 C GLU A 135 12.940 1.981 3.248 1.00 64.51 C ATOM 2013 O GLU A 135 13.986 2.608 3.086 1.00 11.30 O ATOM 2014 CB GLU A 135 13.110 -0.222 4.423 1.00 73.54 C ATOM 2015 CG GLU A 135 13.188 -0.956 5.751 1.00 41.55 C ATOM 2016 CD GLU A 135 14.199 -2.086 5.734 1.00 35.11 C ATOM 2017 OE1 GLU A 135 14.333 -2.746 4.683 1.00 70.51 O ATOM 2018 OE2 GLU A 135 14.854 -2.310 6.773 1.00 33.54 O ATOM 0 H GLU A 135 10.821 0.407 5.104 1.00 5.03 H new ATOM 0 HA GLU A 135 13.239 1.713 5.350 1.00 64.12 H new ATOM 0 HB2 GLU A 135 12.415 -0.747 3.768 1.00 73.54 H new ATOM 0 HB3 GLU A 135 14.087 -0.254 3.942 1.00 73.54 H new ATOM 0 HG2 GLU A 135 13.452 -0.249 6.538 1.00 41.55 H new ATOM 0 HG3 GLU A 135 12.205 -1.357 5.999 1.00 41.55 H new ATOM 2025 N VAL A 136 11.991 1.905 2.321 1.00 71.15 N ATOM 2026 CA VAL A 136 12.127 2.571 1.031 1.00 2.11 C ATOM 2027 C VAL A 136 11.972 4.081 1.173 1.00 44.02 C ATOM 2028 O VAL A 136 12.894 4.840 0.874 1.00 73.03 O ATOM 2029 CB VAL A 136 11.088 2.053 0.019 1.00 62.14 C ATOM 2030 CG1 VAL A 136 11.327 2.666 -1.353 1.00 11.32 C ATOM 2031 CG2 VAL A 136 11.127 0.533 -0.054 1.00 4.43 C ATOM 0 H VAL A 136 11.119 1.389 2.439 1.00 71.15 H new ATOM 0 HA VAL A 136 13.127 2.344 0.662 1.00 2.11 H new ATOM 0 HB VAL A 136 10.096 2.353 0.357 1.00 62.14 H new ATOM 0 HG11 VAL A 136 10.583 2.288 -2.055 1.00 11.32 H new ATOM 0 HG12 VAL A 136 11.245 3.751 -1.286 1.00 11.32 H new ATOM 0 HG13 VAL A 136 12.324 2.399 -1.702 1.00 11.32 H new ATOM 0 HG21 VAL A 136 10.386 0.184 -0.774 1.00 4.43 H new ATOM 0 HG22 VAL A 136 12.119 0.209 -0.368 1.00 4.43 H new ATOM 0 HG23 VAL A 136 10.903 0.116 0.928 1.00 4.43 H new