USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 950 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.215 K(o=-0.21,f=-2.1!) USER MOD Single : A 19 TYR OH : rot 0:sc= 0.146 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 26 SER OG : rot -170:sc= 0 USER MOD Single : A 29 TYR OH : rot 0:sc= -1.35 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -59:sc= 0.0095 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0593 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= 0.256 K(o=0.26,f=-0.95) 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 :FLIP amide:sc= -0.318 F(o=-1.6!,f=-0.32) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= 0.014 (180deg=0.0125) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.195 K(o=-0.2,f=-1.8!) 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 3.119 7.859 -3.174 1.00 71.51 N ATOM 118 CA PHE A 11 2.524 7.049 -4.231 1.00 21.52 C ATOM 119 C PHE A 11 3.043 7.477 -5.600 1.00 63.41 C ATOM 120 O PHE A 11 2.357 8.173 -6.348 1.00 55.40 O ATOM 121 CB PHE A 11 0.999 7.161 -4.192 1.00 41.40 C ATOM 122 CG PHE A 11 0.397 6.712 -2.892 1.00 61.43 C ATOM 123 CD1 PHE A 11 0.353 5.366 -2.563 1.00 11.54 C ATOM 124 CD2 PHE A 11 -0.124 7.634 -1.999 1.00 2.11 C ATOM 125 CE1 PHE A 11 -0.202 4.950 -1.367 1.00 62.41 C ATOM 126 CE2 PHE A 11 -0.679 7.223 -0.802 1.00 3.14 C ATOM 127 CZ PHE A 11 -0.717 5.880 -0.484 1.00 62.54 C ATOM 0 HA PHE A 11 2.808 6.010 -4.063 1.00 21.52 H new ATOM 0 HB2 PHE A 11 0.714 8.197 -4.376 1.00 41.40 H new ATOM 0 HB3 PHE A 11 0.578 6.566 -5.002 1.00 41.40 H new ATOM 0 HD1 PHE A 11 0.756 4.635 -3.248 1.00 11.54 H new ATOM 0 HD2 PHE A 11 -0.096 8.686 -2.241 1.00 2.11 H new ATOM 0 HE1 PHE A 11 -0.233 3.898 -1.123 1.00 62.41 H new ATOM 0 HE2 PHE A 11 -1.083 7.952 -0.115 1.00 3.14 H new ATOM 0 HZ PHE A 11 -1.148 5.557 0.452 1.00 62.54 H new ATOM 137 N THR A 12 4.262 7.054 -5.923 1.00 40.22 N ATOM 138 CA THR A 12 4.875 7.394 -7.202 1.00 11.12 C ATOM 139 C THR A 12 5.315 6.142 -7.951 1.00 24.15 C ATOM 140 O THR A 12 5.403 5.060 -7.371 1.00 22.02 O ATOM 141 CB THR A 12 6.090 8.320 -7.013 1.00 4.20 C ATOM 142 OG1 THR A 12 6.723 8.049 -5.756 1.00 51.55 O ATOM 143 CG2 THR A 12 5.673 9.781 -7.071 1.00 52.50 C ATOM 0 H THR A 12 4.844 6.476 -5.317 1.00 40.22 H new ATOM 0 HA THR A 12 4.118 7.916 -7.787 1.00 11.12 H new ATOM 0 HB THR A 12 6.793 8.127 -7.823 1.00 4.20 H new ATOM 0 HG1 THR A 12 7.496 8.641 -5.645 1.00 51.55 H new ATOM 0 HG21 THR A 12 6.549 10.415 -6.935 1.00 52.50 H new ATOM 0 HG22 THR A 12 5.219 9.992 -8.040 1.00 52.50 H new ATOM 0 HG23 THR A 12 4.951 9.985 -6.280 1.00 52.50 H new ATOM 151 N GLU A 13 5.592 6.295 -9.242 1.00 1.44 N ATOM 152 CA GLU A 13 6.024 5.175 -10.068 1.00 72.04 C ATOM 153 C GLU A 13 7.277 4.524 -9.490 1.00 71.55 C ATOM 154 O GLU A 13 7.448 3.307 -9.566 1.00 72.12 O ATOM 155 CB GLU A 13 6.293 5.644 -11.500 1.00 43.23 C ATOM 156 CG GLU A 13 6.170 4.539 -12.536 1.00 20.42 C ATOM 157 CD GLU A 13 7.335 4.516 -13.507 1.00 11.45 C ATOM 158 OE1 GLU A 13 8.485 4.348 -13.048 1.00 72.23 O ATOM 159 OE2 GLU A 13 7.097 4.666 -14.723 1.00 4.10 O ATOM 0 H GLU A 13 5.525 7.184 -9.738 1.00 1.44 H new ATOM 0 HA GLU A 13 5.224 4.435 -10.080 1.00 72.04 H new ATOM 0 HB2 GLU A 13 5.595 6.443 -11.749 1.00 43.23 H new ATOM 0 HB3 GLU A 13 7.295 6.069 -11.552 1.00 43.23 H new ATOM 0 HG2 GLU A 13 6.106 3.576 -12.029 1.00 20.42 H new ATOM 0 HG3 GLU A 13 5.241 4.669 -13.092 1.00 20.42 H new ATOM 166 N ALA A 14 8.150 5.342 -8.914 1.00 22.23 N ATOM 167 CA ALA A 14 9.386 4.846 -8.322 1.00 23.33 C ATOM 168 C ALA A 14 9.110 4.092 -7.026 1.00 72.50 C ATOM 169 O ALA A 14 9.406 2.902 -6.914 1.00 52.12 O ATOM 170 CB ALA A 14 10.349 5.996 -8.070 1.00 43.44 C ATOM 0 H ALA A 14 8.025 6.352 -8.844 1.00 22.23 H new ATOM 0 HA ALA A 14 9.843 4.151 -9.026 1.00 23.33 H new ATOM 0 HB1 ALA A 14 11.268 5.611 -7.628 1.00 43.44 H new ATOM 0 HB2 ALA A 14 10.580 6.491 -9.013 1.00 43.44 H new ATOM 0 HB3 ALA A 14 9.890 6.712 -7.388 1.00 43.44 H new ATOM 176 N TRP A 15 8.543 4.791 -6.049 1.00 61.31 N ATOM 177 CA TRP A 15 8.228 4.186 -4.760 1.00 74.14 C ATOM 178 C TRP A 15 7.471 2.875 -4.944 1.00 53.42 C ATOM 179 O TRP A 15 7.652 1.931 -4.177 1.00 32.14 O ATOM 180 CB TRP A 15 7.402 5.152 -3.909 1.00 74.23 C ATOM 181 CG TRP A 15 7.210 4.685 -2.498 1.00 13.24 C ATOM 182 CD1 TRP A 15 7.936 5.061 -1.404 1.00 61.41 C ATOM 183 CD2 TRP A 15 6.228 3.754 -2.029 1.00 2.01 C ATOM 184 NE1 TRP A 15 7.465 4.418 -0.284 1.00 41.52 N ATOM 185 CE2 TRP A 15 6.417 3.612 -0.640 1.00 43.41 C ATOM 186 CE3 TRP A 15 5.206 3.028 -2.647 1.00 42.13 C ATOM 187 CZ2 TRP A 15 5.623 2.774 0.137 1.00 62.11 C ATOM 188 CZ3 TRP A 15 4.419 2.196 -1.874 1.00 42.34 C ATOM 189 CH2 TRP A 15 4.630 2.075 -0.494 1.00 71.22 C ATOM 0 H TRP A 15 8.292 5.777 -6.125 1.00 61.31 H new ATOM 0 HA TRP A 15 9.166 3.973 -4.248 1.00 74.14 H new ATOM 0 HB2 TRP A 15 7.892 6.126 -3.898 1.00 74.23 H new ATOM 0 HB3 TRP A 15 6.426 5.291 -4.374 1.00 74.23 H new ATOM 0 HD1 TRP A 15 8.759 5.760 -1.417 1.00 61.41 H new ATOM 0 HE1 TRP A 15 7.836 4.524 0.660 1.00 41.52 H new ATOM 0 HE3 TRP A 15 5.035 3.116 -3.710 1.00 42.13 H new ATOM 0 HZ2 TRP A 15 5.785 2.679 1.201 1.00 62.11 H new ATOM 0 HZ3 TRP A 15 3.628 1.629 -2.342 1.00 42.34 H new ATOM 0 HH2 TRP A 15 3.997 1.417 0.083 1.00 71.22 H new ATOM 200 N ALA A 16 6.623 2.826 -5.966 1.00 34.33 N ATOM 201 CA ALA A 16 5.840 1.630 -6.251 1.00 70.22 C ATOM 202 C ALA A 16 6.744 0.451 -6.594 1.00 71.13 C ATOM 203 O ALA A 16 6.590 -0.641 -6.048 1.00 13.14 O ATOM 204 CB ALA A 16 4.863 1.897 -7.386 1.00 51.03 C ATOM 0 H ALA A 16 6.461 3.600 -6.610 1.00 34.33 H new ATOM 0 HA ALA A 16 5.276 1.372 -5.354 1.00 70.22 H new ATOM 0 HB1 ALA A 16 4.285 0.995 -7.588 1.00 51.03 H new ATOM 0 HB2 ALA A 16 4.188 2.705 -7.103 1.00 51.03 H new ATOM 0 HB3 ALA A 16 5.415 2.183 -8.282 1.00 51.03 H new ATOM 210 N GLN A 17 7.685 0.679 -7.504 1.00 63.32 N ATOM 211 CA GLN A 17 8.613 -0.366 -7.921 1.00 43.55 C ATOM 212 C GLN A 17 9.588 -0.708 -6.799 1.00 43.20 C ATOM 213 O GLN A 17 9.854 -1.878 -6.530 1.00 73.55 O ATOM 214 CB GLN A 17 9.385 0.075 -9.166 1.00 72.03 C ATOM 215 CG GLN A 17 8.500 0.299 -10.383 1.00 4.22 C ATOM 216 CD GLN A 17 8.824 -0.648 -11.522 1.00 15.24 C ATOM 217 OE1 GLN A 17 9.916 -1.212 -11.584 1.00 23.23 O ATOM 218 NE2 GLN A 17 7.872 -0.827 -12.431 1.00 14.04 N ATOM 0 H GLN A 17 7.825 1.577 -7.967 1.00 63.32 H new ATOM 0 HA GLN A 17 8.033 -1.258 -8.158 1.00 43.55 H new ATOM 0 HB2 GLN A 17 9.922 0.997 -8.943 1.00 72.03 H new ATOM 0 HB3 GLN A 17 10.134 -0.680 -9.406 1.00 72.03 H new ATOM 0 HG2 GLN A 17 7.456 0.173 -10.096 1.00 4.22 H new ATOM 0 HG3 GLN A 17 8.614 1.327 -10.727 1.00 4.22 H new ATOM 0 HE21 GLN A 17 6.981 -0.339 -12.340 1.00 14.04 H new ATOM 0 HE22 GLN A 17 8.032 -1.453 -13.220 1.00 14.04 H new ATOM 227 N ALA A 18 10.118 0.323 -6.148 1.00 73.53 N ATOM 228 CA ALA A 18 11.062 0.131 -5.055 1.00 20.44 C ATOM 229 C ALA A 18 10.427 -0.654 -3.912 1.00 70.22 C ATOM 230 O ALA A 18 11.085 -1.469 -3.264 1.00 52.32 O ATOM 231 CB ALA A 18 11.571 1.475 -4.554 1.00 43.13 C ATOM 0 H ALA A 18 9.909 1.299 -6.359 1.00 73.53 H new ATOM 0 HA ALA A 18 11.905 -0.447 -5.434 1.00 20.44 H new ATOM 0 HB1 ALA A 18 12.275 1.316 -3.737 1.00 43.13 H new ATOM 0 HB2 ALA A 18 12.071 2.001 -5.367 1.00 43.13 H new ATOM 0 HB3 ALA A 18 10.732 2.072 -4.198 1.00 43.13 H new ATOM 237 N TYR A 19 9.145 -0.405 -3.670 1.00 43.02 N ATOM 238 CA TYR A 19 8.421 -1.086 -2.603 1.00 3.22 C ATOM 239 C TYR A 19 8.145 -2.540 -2.975 1.00 41.32 C ATOM 240 O TYR A 19 7.957 -3.391 -2.105 1.00 43.34 O ATOM 241 CB TYR A 19 7.106 -0.364 -2.309 1.00 12.25 C ATOM 242 CG TYR A 19 6.225 -1.091 -1.317 1.00 63.03 C ATOM 243 CD1 TYR A 19 6.768 -1.698 -0.192 1.00 21.42 C ATOM 244 CD2 TYR A 19 4.851 -1.170 -1.506 1.00 33.32 C ATOM 245 CE1 TYR A 19 5.968 -2.364 0.717 1.00 61.25 C ATOM 246 CE2 TYR A 19 4.043 -1.832 -0.601 1.00 41.14 C ATOM 247 CZ TYR A 19 4.606 -2.427 0.508 1.00 24.21 C ATOM 248 OH TYR A 19 3.805 -3.089 1.410 1.00 75.21 O ATOM 0 H TYR A 19 8.585 0.264 -4.199 1.00 43.02 H new ATOM 0 HA TYR A 19 9.043 -1.071 -1.708 1.00 3.22 H new ATOM 0 HB2 TYR A 19 7.326 0.632 -1.925 1.00 12.25 H new ATOM 0 HB3 TYR A 19 6.557 -0.232 -3.241 1.00 12.25 H new ATOM 0 HD1 TYR A 19 7.834 -1.649 -0.025 1.00 21.42 H new ATOM 0 HD2 TYR A 19 4.407 -0.706 -2.374 1.00 33.32 H new ATOM 0 HE1 TYR A 19 6.407 -2.832 1.586 1.00 61.25 H new ATOM 0 HE2 TYR A 19 2.976 -1.883 -0.762 1.00 41.14 H new ATOM 0 HH TYR A 19 4.358 -3.453 2.133 1.00 75.21 H new ATOM 258 N CYS A 20 8.122 -2.817 -4.275 1.00 14.32 N ATOM 259 CA CYS A 20 7.869 -4.167 -4.764 1.00 52.21 C ATOM 260 C CYS A 20 9.124 -5.027 -4.662 1.00 22.22 C ATOM 261 O CYS A 20 9.044 -6.243 -4.486 1.00 70.02 O ATOM 262 CB CYS A 20 7.384 -4.122 -6.215 1.00 24.20 C ATOM 263 SG CYS A 20 7.095 -5.763 -6.953 1.00 71.10 S ATOM 0 H CYS A 20 8.275 -2.125 -5.008 1.00 14.32 H new ATOM 0 HA CYS A 20 7.094 -4.613 -4.141 1.00 52.21 H new ATOM 0 HB2 CYS A 20 6.459 -3.547 -6.260 1.00 24.20 H new ATOM 0 HB3 CYS A 20 8.120 -3.589 -6.817 1.00 24.20 H new ATOM 268 N ARG A 21 10.284 -4.387 -4.773 1.00 42.22 N ATOM 269 CA ARG A 21 11.557 -5.093 -4.694 1.00 70.55 C ATOM 270 C ARG A 21 12.066 -5.137 -3.256 1.00 51.52 C ATOM 271 O ARG A 21 12.809 -6.042 -2.876 1.00 61.22 O ATOM 272 CB ARG A 21 12.594 -4.420 -5.594 1.00 5.42 C ATOM 273 CG ARG A 21 12.501 -4.839 -7.052 1.00 74.53 C ATOM 274 CD ARG A 21 12.595 -3.640 -7.984 1.00 20.24 C ATOM 275 NE ARG A 21 13.167 -3.998 -9.279 1.00 62.22 N ATOM 276 CZ ARG A 21 13.690 -3.114 -10.120 1.00 5.34 C ATOM 277 NH1 ARG A 21 13.716 -1.827 -9.803 1.00 11.50 N ATOM 278 NH2 ARG A 21 14.192 -3.516 -11.280 1.00 64.23 N ATOM 0 H ARG A 21 10.368 -3.381 -4.918 1.00 42.22 H new ATOM 0 HA ARG A 21 11.399 -6.116 -5.036 1.00 70.55 H new ATOM 0 HB2 ARG A 21 12.473 -3.339 -5.527 1.00 5.42 H new ATOM 0 HB3 ARG A 21 13.591 -4.653 -5.221 1.00 5.42 H new ATOM 0 HG2 ARG A 21 13.301 -5.543 -7.281 1.00 74.53 H new ATOM 0 HG3 ARG A 21 11.559 -5.361 -7.222 1.00 74.53 H new ATOM 0 HD2 ARG A 21 11.602 -3.216 -8.131 1.00 20.24 H new ATOM 0 HD3 ARG A 21 13.206 -2.866 -7.519 1.00 20.24 H new ATOM 0 HE ARG A 21 13.165 -4.981 -9.552 1.00 62.22 H new ATOM 0 HH11 ARG A 21 13.334 -1.514 -8.911 1.00 11.50 H new ATOM 0 HH12 ARG A 21 14.119 -1.150 -10.451 1.00 11.50 H new ATOM 0 HH21 ARG A 21 14.177 -4.506 -11.527 1.00 64.23 H new ATOM 0 HH22 ARG A 21 14.593 -2.836 -11.925 1.00 64.23 H new ATOM 292 N LYS A 22 11.661 -4.152 -2.461 1.00 24.12 N ATOM 293 CA LYS A 22 12.076 -4.077 -1.065 1.00 75.31 C ATOM 294 C LYS A 22 11.390 -5.158 -0.235 1.00 71.23 C ATOM 295 O LYS A 22 11.852 -5.507 0.852 1.00 40.41 O ATOM 296 CB LYS A 22 11.752 -2.696 -0.490 1.00 24.34 C ATOM 297 CG LYS A 22 12.580 -2.338 0.732 1.00 4.34 C ATOM 298 CD LYS A 22 13.874 -1.641 0.345 1.00 71.41 C ATOM 299 CE LYS A 22 14.399 -0.770 1.476 1.00 22.54 C ATOM 300 NZ LYS A 22 14.637 0.631 1.033 1.00 23.11 N ATOM 0 H LYS A 22 11.046 -3.395 -2.760 1.00 24.12 H new ATOM 0 HA LYS A 22 13.153 -4.239 -1.022 1.00 75.31 H new ATOM 0 HB2 LYS A 22 11.913 -1.943 -1.262 1.00 24.34 H new ATOM 0 HB3 LYS A 22 10.695 -2.660 -0.226 1.00 24.34 H new ATOM 0 HG2 LYS A 22 11.999 -1.690 1.389 1.00 4.34 H new ATOM 0 HG3 LYS A 22 12.808 -3.243 1.296 1.00 4.34 H new ATOM 0 HD2 LYS A 22 14.624 -2.386 0.080 1.00 71.41 H new ATOM 0 HD3 LYS A 22 13.707 -1.028 -0.540 1.00 71.41 H new ATOM 0 HE2 LYS A 22 13.684 -0.774 2.299 1.00 22.54 H new ATOM 0 HE3 LYS A 22 15.328 -1.193 1.858 1.00 22.54 H new ATOM 0 HZ1 LYS A 22 14.994 1.192 1.833 1.00 23.11 H new ATOM 0 HZ2 LYS A 22 15.338 0.638 0.265 1.00 23.11 H new ATOM 0 HZ3 LYS A 22 13.745 1.043 0.692 1.00 23.11 H new ATOM 314 N LEU A 23 10.288 -5.686 -0.755 1.00 42.12 N ATOM 315 CA LEU A 23 9.540 -6.730 -0.063 1.00 13.12 C ATOM 316 C LEU A 23 10.220 -8.085 -0.224 1.00 31.44 C ATOM 317 O LEU A 23 10.240 -8.894 0.703 1.00 42.14 O ATOM 318 CB LEU A 23 8.108 -6.798 -0.598 1.00 75.11 C ATOM 319 CG LEU A 23 7.171 -5.674 -0.153 1.00 65.24 C ATOM 320 CD1 LEU A 23 5.882 -5.703 -0.961 1.00 5.20 C ATOM 321 CD2 LEU A 23 6.872 -5.785 1.334 1.00 22.52 C ATOM 0 H LEU A 23 9.892 -5.409 -1.653 1.00 42.12 H new ATOM 0 HA LEU A 23 9.514 -6.482 0.998 1.00 13.12 H new ATOM 0 HB2 LEU A 23 8.148 -6.801 -1.687 1.00 75.11 H new ATOM 0 HB3 LEU A 23 7.672 -7.749 -0.293 1.00 75.11 H new ATOM 0 HG LEU A 23 7.668 -4.721 -0.333 1.00 65.24 H new ATOM 0 HD11 LEU A 23 5.227 -4.896 -0.631 1.00 5.20 H new ATOM 0 HD12 LEU A 23 6.112 -5.574 -2.018 1.00 5.20 H new ATOM 0 HD13 LEU A 23 5.381 -6.660 -0.813 1.00 5.20 H new ATOM 0 HD21 LEU A 23 6.204 -4.977 1.632 1.00 22.52 H new ATOM 0 HD22 LEU A 23 6.396 -6.744 1.539 1.00 22.52 H new ATOM 0 HD23 LEU A 23 7.802 -5.714 1.898 1.00 22.52 H new ATOM 333 N ASN A 24 10.778 -8.326 -1.406 1.00 13.41 N ATOM 334 CA ASN A 24 11.461 -9.583 -1.687 1.00 42.45 C ATOM 335 C ASN A 24 12.595 -9.820 -0.694 1.00 14.10 C ATOM 336 O ASN A 24 12.946 -10.962 -0.401 1.00 60.14 O ATOM 337 CB ASN A 24 12.012 -9.579 -3.114 1.00 42.43 C ATOM 338 CG ASN A 24 10.969 -9.985 -4.138 1.00 44.00 C ATOM 339 OD1 ASN A 24 10.674 -11.169 -4.305 1.00 5.25 O ATOM 340 ND2 ASN A 24 10.406 -9.002 -4.830 1.00 51.40 N ATOM 0 H ASN A 24 10.770 -7.667 -2.185 1.00 13.41 H new ATOM 0 HA ASN A 24 10.737 -10.392 -1.585 1.00 42.45 H new ATOM 0 HB2 ASN A 24 12.384 -8.583 -3.354 1.00 42.43 H new ATOM 0 HB3 ASN A 24 12.861 -10.260 -3.175 1.00 42.43 H new ATOM 0 HD21 ASN A 24 9.698 -9.214 -5.533 1.00 51.40 H new ATOM 0 HD22 ASN A 24 10.681 -8.035 -4.658 1.00 51.40 H new ATOM 347 N GLU A 25 13.160 -8.734 -0.178 1.00 0.30 N ATOM 348 CA GLU A 25 14.253 -8.825 0.782 1.00 0.54 C ATOM 349 C GLU A 25 13.731 -9.199 2.167 1.00 64.02 C ATOM 350 O GLU A 25 14.444 -9.806 2.967 1.00 40.42 O ATOM 351 CB GLU A 25 15.011 -7.497 0.854 1.00 60.14 C ATOM 352 CG GLU A 25 15.371 -6.928 -0.508 1.00 42.44 C ATOM 353 CD GLU A 25 16.830 -6.525 -0.606 1.00 21.03 C ATOM 354 OE1 GLU A 25 17.689 -7.425 -0.708 1.00 42.13 O ATOM 355 OE2 GLU A 25 17.112 -5.309 -0.578 1.00 15.30 O ATOM 0 H GLU A 25 12.879 -7.781 -0.409 1.00 0.30 H new ATOM 0 HA GLU A 25 14.934 -9.607 0.445 1.00 0.54 H new ATOM 0 HB2 GLU A 25 14.403 -6.770 1.393 1.00 60.14 H new ATOM 0 HB3 GLU A 25 15.924 -7.640 1.432 1.00 60.14 H new ATOM 0 HG2 GLU A 25 15.150 -7.669 -1.277 1.00 42.44 H new ATOM 0 HG3 GLU A 25 14.744 -6.060 -0.712 1.00 42.44 H new ATOM 362 N SER A 26 12.483 -8.835 2.440 1.00 1.34 N ATOM 363 CA SER A 26 11.866 -9.128 3.729 1.00 3.42 C ATOM 364 C SER A 26 11.412 -10.583 3.795 1.00 44.33 C ATOM 365 O SER A 26 10.248 -10.892 3.547 1.00 34.42 O ATOM 366 CB SER A 26 10.675 -8.199 3.972 1.00 50.32 C ATOM 367 OG SER A 26 10.541 -7.892 5.348 1.00 15.44 O ATOM 0 H SER A 26 11.879 -8.337 1.787 1.00 1.34 H new ATOM 0 HA SER A 26 12.611 -8.962 4.507 1.00 3.42 H new ATOM 0 HB2 SER A 26 10.805 -7.279 3.402 1.00 50.32 H new ATOM 0 HB3 SER A 26 9.762 -8.671 3.611 1.00 50.32 H new ATOM 0 HG SER A 26 9.689 -7.431 5.499 1.00 15.44 H new ATOM 373 N GLU A 27 12.342 -11.471 4.131 1.00 72.41 N ATOM 374 CA GLU A 27 12.038 -12.895 4.228 1.00 52.21 C ATOM 375 C GLU A 27 10.803 -13.129 5.093 1.00 50.52 C ATOM 376 O GLU A 27 9.824 -13.728 4.647 1.00 3.24 O ATOM 377 CB GLU A 27 13.232 -13.656 4.808 1.00 44.22 C ATOM 378 CG GLU A 27 14.027 -14.427 3.767 1.00 14.22 C ATOM 379 CD GLU A 27 13.945 -13.799 2.389 1.00 21.41 C ATOM 380 OE1 GLU A 27 14.478 -12.683 2.213 1.00 21.23 O ATOM 381 OE2 GLU A 27 13.348 -14.423 1.487 1.00 60.32 O ATOM 0 H GLU A 27 13.311 -11.231 4.340 1.00 72.41 H new ATOM 0 HA GLU A 27 11.833 -13.266 3.224 1.00 52.21 H new ATOM 0 HB2 GLU A 27 13.894 -12.949 5.308 1.00 44.22 H new ATOM 0 HB3 GLU A 27 12.875 -14.351 5.568 1.00 44.22 H new ATOM 0 HG2 GLU A 27 15.071 -14.479 4.077 1.00 14.22 H new ATOM 0 HG3 GLU A 27 13.658 -15.451 3.718 1.00 14.22 H new ATOM 388 N ALA A 28 10.857 -12.653 6.333 1.00 4.02 N ATOM 389 CA ALA A 28 9.743 -12.809 7.261 1.00 42.34 C ATOM 390 C ALA A 28 8.409 -12.583 6.558 1.00 14.30 C ATOM 391 O ALA A 28 7.474 -13.369 6.713 1.00 0.31 O ATOM 392 CB ALA A 28 9.894 -11.850 8.432 1.00 43.42 C ATOM 0 H ALA A 28 11.660 -12.156 6.718 1.00 4.02 H new ATOM 0 HA ALA A 28 9.757 -13.831 7.639 1.00 42.34 H new ATOM 0 HB1 ALA A 28 9.056 -11.977 9.117 1.00 43.42 H new ATOM 0 HB2 ALA A 28 10.826 -12.060 8.957 1.00 43.42 H new ATOM 0 HB3 ALA A 28 9.909 -10.825 8.063 1.00 43.42 H new ATOM 398 N TYR A 29 8.326 -11.505 5.786 1.00 21.03 N ATOM 399 CA TYR A 29 7.104 -11.174 5.063 1.00 10.20 C ATOM 400 C TYR A 29 6.676 -12.328 4.162 1.00 75.52 C ATOM 401 O TYR A 29 5.578 -12.868 4.306 1.00 62.23 O ATOM 402 CB TYR A 29 7.307 -9.908 4.229 1.00 62.23 C ATOM 403 CG TYR A 29 6.217 -9.675 3.207 1.00 62.54 C ATOM 404 CD1 TYR A 29 4.879 -9.668 3.579 1.00 74.31 C ATOM 405 CD2 TYR A 29 6.527 -9.462 1.868 1.00 12.15 C ATOM 406 CE1 TYR A 29 3.880 -9.456 2.649 1.00 64.13 C ATOM 407 CE2 TYR A 29 5.534 -9.248 0.932 1.00 65.20 C ATOM 408 CZ TYR A 29 4.213 -9.247 1.326 1.00 13.35 C ATOM 409 OH TYR A 29 3.220 -9.034 0.397 1.00 22.45 O ATOM 0 H TYR A 29 9.091 -10.845 5.645 1.00 21.03 H new ATOM 0 HA TYR A 29 6.315 -10.996 5.794 1.00 10.20 H new ATOM 0 HB2 TYR A 29 7.358 -9.048 4.896 1.00 62.23 H new ATOM 0 HB3 TYR A 29 8.267 -9.971 3.716 1.00 62.23 H new ATOM 0 HD1 TYR A 29 4.615 -9.831 4.613 1.00 74.31 H new ATOM 0 HD2 TYR A 29 7.561 -9.464 1.555 1.00 12.15 H new ATOM 0 HE1 TYR A 29 2.844 -9.454 2.955 1.00 64.13 H new ATOM 0 HE2 TYR A 29 5.791 -9.082 -0.104 1.00 65.20 H new ATOM 0 HH TYR A 29 2.346 -9.063 0.840 1.00 22.45 H new ATOM 419 N ARG A 30 7.550 -12.701 3.233 1.00 73.31 N ATOM 420 CA ARG A 30 7.263 -13.790 2.308 1.00 62.05 C ATOM 421 C ARG A 30 6.687 -14.995 3.047 1.00 50.52 C ATOM 422 O ARG A 30 5.808 -15.688 2.535 1.00 33.12 O ATOM 423 CB ARG A 30 8.533 -14.198 1.558 1.00 74.11 C ATOM 424 CG ARG A 30 8.308 -14.460 0.077 1.00 0.42 C ATOM 425 CD ARG A 30 9.154 -15.623 -0.418 1.00 32.42 C ATOM 426 NE ARG A 30 8.507 -16.343 -1.511 1.00 43.12 N ATOM 427 CZ ARG A 30 9.131 -17.235 -2.273 1.00 51.13 C ATOM 428 NH1 ARG A 30 10.410 -17.514 -2.062 1.00 75.41 N ATOM 429 NH2 ARG A 30 8.474 -17.849 -3.250 1.00 3.31 N ATOM 0 H ARG A 30 8.463 -12.265 3.101 1.00 73.31 H new ATOM 0 HA ARG A 30 6.522 -13.438 1.591 1.00 62.05 H new ATOM 0 HB2 ARG A 30 9.279 -13.412 1.670 1.00 74.11 H new ATOM 0 HB3 ARG A 30 8.944 -15.096 2.019 1.00 74.11 H new ATOM 0 HG2 ARG A 30 7.254 -14.674 -0.100 1.00 0.42 H new ATOM 0 HG3 ARG A 30 8.551 -13.563 -0.493 1.00 0.42 H new ATOM 0 HD2 ARG A 30 10.122 -15.251 -0.752 1.00 32.42 H new ATOM 0 HD3 ARG A 30 9.344 -16.310 0.407 1.00 32.42 H new ATOM 0 HE ARG A 30 7.523 -16.151 -1.700 1.00 43.12 H new ATOM 0 HH11 ARG A 30 10.918 -17.043 -1.313 1.00 75.41 H new ATOM 0 HH12 ARG A 30 10.886 -18.199 -2.649 1.00 75.41 H new ATOM 0 HH21 ARG A 30 7.490 -17.636 -3.416 1.00 3.31 H new ATOM 0 HH22 ARG A 30 8.953 -18.534 -3.835 1.00 3.31 H new ATOM 443 N LYS A 31 7.189 -15.237 4.252 1.00 34.15 N ATOM 444 CA LYS A 31 6.725 -16.356 5.063 1.00 30.44 C ATOM 445 C LYS A 31 5.302 -16.117 5.559 1.00 1.53 C ATOM 446 O LYS A 31 4.449 -17.000 5.477 1.00 43.34 O ATOM 447 CB LYS A 31 7.662 -16.573 6.254 1.00 34.43 C ATOM 448 CG LYS A 31 9.114 -16.777 5.857 1.00 15.02 C ATOM 449 CD LYS A 31 9.978 -17.121 7.058 1.00 32.33 C ATOM 450 CE LYS A 31 11.362 -16.501 6.946 1.00 13.33 C ATOM 451 NZ LYS A 31 12.062 -16.465 8.260 1.00 61.23 N ATOM 0 H LYS A 31 7.918 -14.673 4.689 1.00 34.15 H new ATOM 0 HA LYS A 31 6.728 -17.249 4.439 1.00 30.44 H new ATOM 0 HB2 LYS A 31 7.594 -15.713 6.920 1.00 34.43 H new ATOM 0 HB3 LYS A 31 7.323 -17.442 6.819 1.00 34.43 H new ATOM 0 HG2 LYS A 31 9.181 -17.576 5.119 1.00 15.02 H new ATOM 0 HG3 LYS A 31 9.493 -15.872 5.383 1.00 15.02 H new ATOM 0 HD2 LYS A 31 9.493 -16.769 7.969 1.00 32.33 H new ATOM 0 HD3 LYS A 31 10.069 -18.204 7.143 1.00 32.33 H new ATOM 0 HE2 LYS A 31 11.958 -17.070 6.233 1.00 13.33 H new ATOM 0 HE3 LYS A 31 11.275 -15.488 6.553 1.00 13.33 H new ATOM 0 HZ1 LYS A 31 13.002 -16.035 8.141 1.00 61.23 H new ATOM 0 HZ2 LYS A 31 11.506 -15.901 8.934 1.00 61.23 H new ATOM 0 HZ3 LYS A 31 12.168 -17.434 8.624 1.00 61.23 H new ATOM 465 N ALA A 32 5.055 -14.916 6.073 1.00 74.42 N ATOM 466 CA ALA A 32 3.734 -14.560 6.577 1.00 1.25 C ATOM 467 C ALA A 32 2.674 -14.700 5.491 1.00 45.31 C ATOM 468 O ALA A 32 1.644 -15.342 5.694 1.00 42.30 O ATOM 469 CB ALA A 32 3.746 -13.141 7.128 1.00 50.21 C ATOM 0 H ALA A 32 5.751 -14.175 6.151 1.00 74.42 H new ATOM 0 HA ALA A 32 3.481 -15.250 7.382 1.00 1.25 H new ATOM 0 HB1 ALA A 32 2.754 -12.887 7.501 1.00 50.21 H new ATOM 0 HB2 ALA A 32 4.468 -13.073 7.942 1.00 50.21 H new ATOM 0 HB3 ALA A 32 4.025 -12.446 6.336 1.00 50.21 H new ATOM 475 N ALA A 33 2.933 -14.093 4.336 1.00 32.53 N ATOM 476 CA ALA A 33 2.002 -14.152 3.217 1.00 33.10 C ATOM 477 C ALA A 33 2.422 -15.213 2.207 1.00 24.32 C ATOM 478 O ALA A 33 2.377 -14.987 0.998 1.00 33.23 O ATOM 479 CB ALA A 33 1.900 -12.791 2.544 1.00 1.31 C ATOM 0 H ALA A 33 3.780 -13.555 4.152 1.00 32.53 H new ATOM 0 HA ALA A 33 1.022 -14.428 3.607 1.00 33.10 H new ATOM 0 HB1 ALA A 33 1.201 -12.849 1.710 1.00 1.31 H new ATOM 0 HB2 ALA A 33 1.544 -12.055 3.265 1.00 1.31 H new ATOM 0 HB3 ALA A 33 2.881 -12.493 2.175 1.00 1.31 H new ATOM 485 N SER A 34 2.833 -16.373 2.711 1.00 62.12 N ATOM 486 CA SER A 34 3.268 -17.469 1.853 1.00 52.22 C ATOM 487 C SER A 34 2.073 -18.281 1.362 1.00 32.10 C ATOM 488 O SER A 34 2.020 -19.499 1.537 1.00 71.21 O ATOM 489 CB SER A 34 4.243 -18.377 2.603 1.00 74.41 C ATOM 490 OG SER A 34 4.961 -19.206 1.706 1.00 65.41 O ATOM 0 H SER A 34 2.874 -16.578 3.709 1.00 62.12 H new ATOM 0 HA SER A 34 3.775 -17.041 0.988 1.00 52.22 H new ATOM 0 HB2 SER A 34 4.941 -17.769 3.179 1.00 74.41 H new ATOM 0 HB3 SER A 34 3.695 -18.995 3.315 1.00 74.41 H new ATOM 0 HG SER A 34 4.332 -19.753 1.191 1.00 65.41 H new ATOM 496 N THR A 35 1.112 -17.597 0.747 1.00 61.10 N ATOM 497 CA THR A 35 -0.083 -18.253 0.232 1.00 2.13 C ATOM 498 C THR A 35 -0.981 -17.262 -0.500 1.00 33.31 C ATOM 499 O THR A 35 -1.647 -17.616 -1.473 1.00 42.11 O ATOM 500 CB THR A 35 -0.888 -18.921 1.362 1.00 53.41 C ATOM 501 OG1 THR A 35 -2.258 -19.063 0.970 1.00 62.22 O ATOM 502 CG2 THR A 35 -0.805 -18.104 2.643 1.00 53.42 C ATOM 0 H THR A 35 1.139 -16.589 0.594 1.00 61.10 H new ATOM 0 HA THR A 35 0.253 -19.020 -0.466 1.00 2.13 H new ATOM 0 HB THR A 35 -0.459 -19.906 1.549 1.00 53.41 H new ATOM 0 HG1 THR A 35 -2.763 -19.490 1.693 1.00 62.22 H new ATOM 0 HG21 THR A 35 -1.381 -18.596 3.426 1.00 53.42 H new ATOM 0 HG22 THR A 35 0.236 -18.022 2.956 1.00 53.42 H new ATOM 0 HG23 THR A 35 -1.210 -17.108 2.466 1.00 53.42 H new ATOM 510 N TRP A 36 -0.994 -16.022 -0.026 1.00 15.03 N ATOM 511 CA TRP A 36 -1.812 -14.979 -0.637 1.00 63.20 C ATOM 512 C TRP A 36 -1.579 -14.917 -2.143 1.00 32.55 C ATOM 513 O TRP A 36 -0.444 -15.011 -2.607 1.00 51.12 O ATOM 514 CB TRP A 36 -1.500 -13.622 -0.004 1.00 54.32 C ATOM 515 CG TRP A 36 -1.898 -12.461 -0.863 1.00 70.02 C ATOM 516 CD1 TRP A 36 -1.428 -12.164 -2.111 1.00 33.42 C ATOM 517 CD2 TRP A 36 -2.848 -11.439 -0.538 1.00 42.32 C ATOM 518 NE1 TRP A 36 -2.027 -11.021 -2.581 1.00 13.42 N ATOM 519 CE2 TRP A 36 -2.902 -10.557 -1.634 1.00 53.22 C ATOM 520 CE3 TRP A 36 -3.657 -11.185 0.572 1.00 14.31 C ATOM 521 CZ2 TRP A 36 -3.734 -9.441 -1.650 1.00 54.11 C ATOM 522 CZ3 TRP A 36 -4.482 -10.076 0.555 1.00 32.42 C ATOM 523 CH2 TRP A 36 -4.516 -9.215 -0.550 1.00 61.52 C ATOM 0 H TRP A 36 -0.448 -15.713 0.779 1.00 15.03 H new ATOM 0 HA TRP A 36 -2.860 -15.223 -0.460 1.00 63.20 H new ATOM 0 HB2 TRP A 36 -2.014 -13.549 0.954 1.00 54.32 H new ATOM 0 HB3 TRP A 36 -0.431 -13.563 0.203 1.00 54.32 H new ATOM 0 HD1 TRP A 36 -0.693 -12.744 -2.649 1.00 33.42 H new ATOM 0 HE1 TRP A 36 -1.849 -10.588 -3.487 1.00 13.42 H new ATOM 0 HE3 TRP A 36 -3.638 -11.843 1.428 1.00 14.31 H new ATOM 0 HZ2 TRP A 36 -3.761 -8.777 -2.501 1.00 54.11 H new ATOM 0 HZ3 TRP A 36 -5.111 -9.870 1.408 1.00 32.42 H new ATOM 0 HH2 TRP A 36 -5.172 -8.357 -0.533 1.00 61.52 H new ATOM 534 N GLU A 37 -2.662 -14.759 -2.898 1.00 1.13 N ATOM 535 CA GLU A 37 -2.573 -14.686 -4.352 1.00 13.22 C ATOM 536 C GLU A 37 -3.295 -13.449 -4.879 1.00 4.12 C ATOM 537 O GLU A 37 -4.297 -13.012 -4.313 1.00 23.41 O ATOM 538 CB GLU A 37 -3.167 -15.945 -4.985 1.00 63.33 C ATOM 539 CG GLU A 37 -2.319 -17.189 -4.777 1.00 73.34 C ATOM 540 CD GLU A 37 -2.968 -18.438 -5.342 1.00 55.44 C ATOM 541 OE1 GLU A 37 -4.065 -18.322 -5.929 1.00 33.10 O ATOM 542 OE2 GLU A 37 -2.380 -19.529 -5.198 1.00 64.33 O ATOM 0 H GLU A 37 -3.609 -14.679 -2.528 1.00 1.13 H new ATOM 0 HA GLU A 37 -1.520 -14.614 -4.623 1.00 13.22 H new ATOM 0 HB2 GLU A 37 -4.159 -16.118 -4.568 1.00 63.33 H new ATOM 0 HB3 GLU A 37 -3.296 -15.778 -6.054 1.00 63.33 H new ATOM 0 HG2 GLU A 37 -1.347 -17.044 -5.248 1.00 73.34 H new ATOM 0 HG3 GLU A 37 -2.139 -17.328 -3.711 1.00 73.34 H new ATOM 549 N GLY A 38 -2.777 -12.888 -5.968 1.00 13.33 N ATOM 550 CA GLY A 38 -3.384 -11.706 -6.553 1.00 1.21 C ATOM 551 C GLY A 38 -2.493 -10.484 -6.447 1.00 41.34 C ATOM 552 O GLY A 38 -1.286 -10.604 -6.239 1.00 71.21 O ATOM 0 H GLY A 38 -1.949 -13.231 -6.455 1.00 13.33 H new ATOM 0 HA2 GLY A 38 -3.609 -11.898 -7.602 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -4.333 -11.504 -6.056 1.00 1.21 H new ATOM 556 N SER A 39 -3.089 -9.305 -6.593 1.00 54.14 N ATOM 557 CA SER A 39 -2.341 -8.056 -6.519 1.00 45.21 C ATOM 558 C SER A 39 -3.107 -7.011 -5.714 1.00 5.42 C ATOM 559 O SER A 39 -4.334 -6.938 -5.777 1.00 72.31 O ATOM 560 CB SER A 39 -2.053 -7.524 -7.924 1.00 52.43 C ATOM 561 OG SER A 39 -3.256 -7.240 -8.617 1.00 54.14 O ATOM 0 H SER A 39 -4.088 -9.189 -6.763 1.00 54.14 H new ATOM 0 HA SER A 39 -1.396 -8.257 -6.014 1.00 45.21 H new ATOM 0 HB2 SER A 39 -1.446 -6.621 -7.857 1.00 52.43 H new ATOM 0 HB3 SER A 39 -1.472 -8.258 -8.483 1.00 52.43 H new ATOM 0 HG SER A 39 -3.046 -6.900 -9.512 1.00 54.14 H new ATOM 567 N LEU A 40 -2.373 -6.202 -4.956 1.00 71.13 N ATOM 568 CA LEU A 40 -2.982 -5.160 -4.138 1.00 44.32 C ATOM 569 C LEU A 40 -2.831 -3.792 -4.797 1.00 34.12 C ATOM 570 O LEU A 40 -1.927 -3.577 -5.602 1.00 44.13 O ATOM 571 CB LEU A 40 -2.346 -5.140 -2.747 1.00 33.33 C ATOM 572 CG LEU A 40 -2.929 -4.130 -1.756 1.00 72.14 C ATOM 573 CD1 LEU A 40 -4.390 -4.442 -1.473 1.00 53.34 C ATOM 574 CD2 LEU A 40 -2.123 -4.124 -0.465 1.00 74.13 C ATOM 0 H LEU A 40 -1.356 -6.248 -4.892 1.00 71.13 H new ATOM 0 HA LEU A 40 -4.045 -5.382 -4.043 1.00 44.32 H new ATOM 0 HB2 LEU A 40 -2.435 -6.136 -2.314 1.00 33.33 H new ATOM 0 HB3 LEU A 40 -1.281 -4.936 -2.859 1.00 33.33 H new ATOM 0 HG LEU A 40 -2.871 -3.137 -2.202 1.00 72.14 H new ATOM 0 HD11 LEU A 40 -4.787 -3.713 -0.766 1.00 53.34 H new ATOM 0 HD12 LEU A 40 -4.959 -4.394 -2.402 1.00 53.34 H new ATOM 0 HD13 LEU A 40 -4.473 -5.442 -1.048 1.00 53.34 H new ATOM 0 HD21 LEU A 40 -2.552 -3.400 0.228 1.00 74.13 H new ATOM 0 HD22 LEU A 40 -2.149 -5.117 -0.015 1.00 74.13 H new ATOM 0 HD23 LEU A 40 -1.090 -3.851 -0.682 1.00 74.13 H new ATOM 586 N ALA A 41 -3.724 -2.872 -4.448 1.00 41.30 N ATOM 587 CA ALA A 41 -3.688 -1.524 -5.002 1.00 24.21 C ATOM 588 C ALA A 41 -4.139 -0.494 -3.971 1.00 24.10 C ATOM 589 O ALA A 41 -5.232 -0.596 -3.414 1.00 53.00 O ATOM 590 CB ALA A 41 -4.558 -1.442 -6.247 1.00 42.21 C ATOM 0 H ALA A 41 -4.481 -3.035 -3.784 1.00 41.30 H new ATOM 0 HA ALA A 41 -2.657 -1.298 -5.276 1.00 24.21 H new ATOM 0 HB1 ALA A 41 -4.522 -0.430 -6.650 1.00 42.21 H new ATOM 0 HB2 ALA A 41 -4.190 -2.144 -6.995 1.00 42.21 H new ATOM 0 HB3 ALA A 41 -5.587 -1.693 -5.989 1.00 42.21 H new ATOM 596 N LEU A 42 -3.289 0.496 -3.721 1.00 44.34 N ATOM 597 CA LEU A 42 -3.599 1.546 -2.757 1.00 32.23 C ATOM 598 C LEU A 42 -4.002 2.835 -3.465 1.00 12.20 C ATOM 599 O LEU A 42 -3.151 3.580 -3.949 1.00 52.31 O ATOM 600 CB LEU A 42 -2.395 1.803 -1.849 1.00 13.11 C ATOM 601 CG LEU A 42 -1.771 0.570 -1.194 1.00 75.44 C ATOM 602 CD1 LEU A 42 -0.398 0.901 -0.634 1.00 10.35 C ATOM 603 CD2 LEU A 42 -2.680 0.029 -0.101 1.00 34.33 C ATOM 0 H LEU A 42 -2.380 0.594 -4.173 1.00 44.34 H new ATOM 0 HA LEU A 42 -4.439 1.211 -2.149 1.00 32.23 H new ATOM 0 HB2 LEU A 42 -1.626 2.307 -2.434 1.00 13.11 H new ATOM 0 HB3 LEU A 42 -2.700 2.492 -1.062 1.00 13.11 H new ATOM 0 HG LEU A 42 -1.653 -0.202 -1.955 1.00 75.44 H new ATOM 0 HD11 LEU A 42 0.031 0.012 -0.172 1.00 10.35 H new ATOM 0 HD12 LEU A 42 0.252 1.240 -1.441 1.00 10.35 H new ATOM 0 HD13 LEU A 42 -0.490 1.689 0.113 1.00 10.35 H new ATOM 0 HD21 LEU A 42 -2.220 -0.848 0.354 1.00 34.33 H new ATOM 0 HD22 LEU A 42 -2.831 0.795 0.659 1.00 34.33 H new ATOM 0 HD23 LEU A 42 -3.642 -0.248 -0.532 1.00 34.33 H new ATOM 615 N ALA A 43 -5.306 3.092 -3.519 1.00 45.01 N ATOM 616 CA ALA A 43 -5.821 4.294 -4.164 1.00 25.21 C ATOM 617 C ALA A 43 -5.912 5.451 -3.175 1.00 52.23 C ATOM 618 O ALA A 43 -6.154 5.247 -1.985 1.00 64.14 O ATOM 619 CB ALA A 43 -7.182 4.017 -4.783 1.00 53.04 C ATOM 0 H ALA A 43 -6.024 2.484 -3.124 1.00 45.01 H new ATOM 0 HA ALA A 43 -5.126 4.580 -4.954 1.00 25.21 H new ATOM 0 HB1 ALA A 43 -7.555 4.923 -5.261 1.00 53.04 H new ATOM 0 HB2 ALA A 43 -7.089 3.226 -5.527 1.00 53.04 H new ATOM 0 HB3 ALA A 43 -7.879 3.704 -4.005 1.00 53.04 H new ATOM 625 N VAL A 44 -5.718 6.667 -3.675 1.00 4.15 N ATOM 626 CA VAL A 44 -5.779 7.858 -2.835 1.00 71.43 C ATOM 627 C VAL A 44 -6.734 8.893 -3.418 1.00 75.02 C ATOM 628 O VAL A 44 -6.561 9.345 -4.550 1.00 24.12 O ATOM 629 CB VAL A 44 -4.388 8.497 -2.665 1.00 44.32 C ATOM 630 CG1 VAL A 44 -4.497 9.826 -1.935 1.00 11.40 C ATOM 631 CG2 VAL A 44 -3.453 7.550 -1.930 1.00 21.22 C ATOM 0 H VAL A 44 -5.517 6.854 -4.657 1.00 4.15 H new ATOM 0 HA VAL A 44 -6.145 7.539 -1.859 1.00 71.43 H new ATOM 0 HB VAL A 44 -3.971 8.687 -3.654 1.00 44.32 H new ATOM 0 HG11 VAL A 44 -3.504 10.263 -1.824 1.00 11.40 H new ATOM 0 HG12 VAL A 44 -5.130 10.504 -2.507 1.00 11.40 H new ATOM 0 HG13 VAL A 44 -4.935 9.665 -0.950 1.00 11.40 H new ATOM 0 HG21 VAL A 44 -2.475 8.018 -1.819 1.00 21.22 H new ATOM 0 HG22 VAL A 44 -3.862 7.326 -0.945 1.00 21.22 H new ATOM 0 HG23 VAL A 44 -3.351 6.626 -2.499 1.00 21.22 H new ATOM 641 N ARG A 45 -7.744 9.264 -2.637 1.00 42.54 N ATOM 642 CA ARG A 45 -8.728 10.246 -3.077 1.00 62.30 C ATOM 643 C ARG A 45 -8.043 11.477 -3.663 1.00 1.30 C ATOM 644 O ARG A 45 -6.995 11.920 -3.190 1.00 34.41 O ATOM 645 CB ARG A 45 -9.627 10.656 -1.909 1.00 2.34 C ATOM 646 CG ARG A 45 -10.763 9.683 -1.644 1.00 21.23 C ATOM 647 CD ARG A 45 -11.978 10.390 -1.063 1.00 21.54 C ATOM 648 NE ARG A 45 -13.099 9.476 -0.861 1.00 61.13 N ATOM 649 CZ ARG A 45 -14.077 9.693 0.011 1.00 60.11 C ATOM 650 NH1 ARG A 45 -14.072 10.788 0.759 1.00 64.11 N ATOM 651 NH2 ARG A 45 -15.062 8.814 0.136 1.00 74.45 N ATOM 0 H ARG A 45 -7.902 8.900 -1.697 1.00 42.54 H new ATOM 0 HA ARG A 45 -9.340 9.788 -3.854 1.00 62.30 H new ATOM 0 HB2 ARG A 45 -9.020 10.746 -1.008 1.00 2.34 H new ATOM 0 HB3 ARG A 45 -10.045 11.642 -2.112 1.00 2.34 H new ATOM 0 HG2 ARG A 45 -11.040 9.184 -2.573 1.00 21.23 H new ATOM 0 HG3 ARG A 45 -10.427 8.909 -0.954 1.00 21.23 H new ATOM 0 HD2 ARG A 45 -11.709 10.850 -0.112 1.00 21.54 H new ATOM 0 HD3 ARG A 45 -12.283 11.195 -1.731 1.00 21.54 H new ATOM 0 HE ARG A 45 -13.133 8.624 -1.421 1.00 61.13 H new ATOM 0 HH11 ARG A 45 -13.316 11.466 0.665 1.00 64.11 H new ATOM 0 HH12 ARG A 45 -14.824 10.952 1.428 1.00 64.11 H new ATOM 0 HH21 ARG A 45 -15.069 7.971 -0.438 1.00 74.45 H new ATOM 0 HH22 ARG A 45 -15.813 8.981 0.806 1.00 74.45 H new ATOM 665 N PRO A 46 -8.647 12.045 -4.718 1.00 61.23 N ATOM 666 CA PRO A 46 -8.113 13.232 -5.391 1.00 43.43 C ATOM 667 C PRO A 46 -8.223 14.485 -4.530 1.00 51.41 C ATOM 668 O PRO A 46 -9.196 14.662 -3.796 1.00 13.43 O ATOM 669 CB PRO A 46 -8.994 13.359 -6.637 1.00 12.23 C ATOM 670 CG PRO A 46 -10.272 12.689 -6.267 1.00 63.14 C ATOM 671 CD PRO A 46 -9.898 11.571 -5.334 1.00 70.11 C ATOM 0 HA PRO A 46 -7.050 13.132 -5.612 1.00 43.43 H new ATOM 0 HB2 PRO A 46 -9.157 14.404 -6.902 1.00 12.23 H new ATOM 0 HB3 PRO A 46 -8.531 12.880 -7.500 1.00 12.23 H new ATOM 0 HG2 PRO A 46 -10.954 13.389 -5.784 1.00 63.14 H new ATOM 0 HG3 PRO A 46 -10.782 12.306 -7.151 1.00 63.14 H new ATOM 0 HD2 PRO A 46 -10.672 11.395 -4.587 1.00 70.11 H new ATOM 0 HD3 PRO A 46 -9.752 10.633 -5.869 1.00 70.11 H new ATOM 679 N ASP A 47 -7.221 15.352 -4.626 1.00 13.44 N ATOM 680 CA ASP A 47 -7.207 16.591 -3.855 1.00 41.44 C ATOM 681 C ASP A 47 -6.029 17.471 -4.263 1.00 54.14 C ATOM 682 O ASP A 47 -4.922 16.992 -4.513 1.00 14.14 O ATOM 683 CB ASP A 47 -7.136 16.286 -2.358 1.00 55.15 C ATOM 684 CG ASP A 47 -8.140 17.091 -1.556 1.00 5.14 C ATOM 685 OD1 ASP A 47 -9.284 16.618 -1.392 1.00 2.32 O ATOM 686 OD2 ASP A 47 -7.781 18.194 -1.092 1.00 45.11 O ATOM 0 H ASP A 47 -6.409 15.221 -5.229 1.00 13.44 H new ATOM 0 HA ASP A 47 -8.131 17.130 -4.064 1.00 41.44 H new ATOM 0 HB2 ASP A 47 -7.316 15.223 -2.198 1.00 55.15 H new ATOM 0 HB3 ASP A 47 -6.131 16.498 -1.994 1.00 55.15 H new ATOM 691 N PRO A 48 -6.270 18.789 -4.334 1.00 73.33 N ATOM 692 CA PRO A 48 -5.243 19.762 -4.712 1.00 45.43 C ATOM 693 C PRO A 48 -4.169 19.917 -3.641 1.00 54.23 C ATOM 694 O PRO A 48 -2.977 19.962 -3.944 1.00 4.54 O ATOM 695 CB PRO A 48 -6.030 21.065 -4.874 1.00 73.01 C ATOM 696 CG PRO A 48 -7.228 20.894 -4.005 1.00 33.41 C ATOM 697 CD PRO A 48 -7.566 19.429 -4.051 1.00 33.31 C ATOM 0 HA PRO A 48 -4.706 19.459 -5.611 1.00 45.43 H new ATOM 0 HB2 PRO A 48 -5.437 21.926 -4.566 1.00 73.01 H new ATOM 0 HB3 PRO A 48 -6.315 21.229 -5.913 1.00 73.01 H new ATOM 0 HG2 PRO A 48 -7.019 21.215 -2.984 1.00 33.41 H new ATOM 0 HG3 PRO A 48 -8.061 21.498 -4.365 1.00 33.41 H new ATOM 0 HD2 PRO A 48 -7.987 19.084 -3.107 1.00 33.31 H new ATOM 0 HD3 PRO A 48 -8.300 19.210 -4.826 1.00 33.31 H new ATOM 705 N LYS A 49 -4.600 19.998 -2.387 1.00 4.30 N ATOM 706 CA LYS A 49 -3.676 20.147 -1.268 1.00 71.23 C ATOM 707 C LYS A 49 -2.407 19.334 -1.499 1.00 64.25 C ATOM 708 O LYS A 49 -1.335 19.684 -1.007 1.00 11.32 O ATOM 709 CB LYS A 49 -4.346 19.707 0.035 1.00 5.11 C ATOM 710 CG LYS A 49 -3.703 20.297 1.279 1.00 53.13 C ATOM 711 CD LYS A 49 -3.082 19.218 2.150 1.00 12.14 C ATOM 712 CE LYS A 49 -3.181 19.569 3.627 1.00 53.14 C ATOM 713 NZ LYS A 49 -3.593 18.398 4.449 1.00 4.34 N ATOM 0 H LYS A 49 -5.584 19.963 -2.119 1.00 4.30 H new ATOM 0 HA LYS A 49 -3.403 21.200 -1.192 1.00 71.23 H new ATOM 0 HB2 LYS A 49 -5.397 19.994 0.008 1.00 5.11 H new ATOM 0 HB3 LYS A 49 -4.314 18.619 0.101 1.00 5.11 H new ATOM 0 HG2 LYS A 49 -2.938 21.016 0.988 1.00 53.13 H new ATOM 0 HG3 LYS A 49 -4.452 20.843 1.853 1.00 53.13 H new ATOM 0 HD2 LYS A 49 -3.583 18.268 1.966 1.00 12.14 H new ATOM 0 HD3 LYS A 49 -2.035 19.085 1.876 1.00 12.14 H new ATOM 0 HE2 LYS A 49 -2.217 19.938 3.978 1.00 53.14 H new ATOM 0 HE3 LYS A 49 -3.900 20.377 3.761 1.00 53.14 H new ATOM 0 HZ1 LYS A 49 -3.649 18.678 5.449 1.00 4.34 H new ATOM 0 HZ2 LYS A 49 -4.524 18.061 4.131 1.00 4.34 H new ATOM 0 HZ3 LYS A 49 -2.894 17.635 4.342 1.00 4.34 H new ATOM 727 N ALA A 50 -2.535 18.247 -2.253 1.00 22.01 N ATOM 728 CA ALA A 50 -1.397 17.386 -2.553 1.00 21.12 C ATOM 729 C ALA A 50 -0.941 17.560 -3.997 1.00 11.21 C ATOM 730 O ALA A 50 0.220 17.318 -4.326 1.00 34.13 O ATOM 731 CB ALA A 50 -1.750 15.931 -2.280 1.00 62.04 C ATOM 0 H ALA A 50 -3.416 17.942 -2.667 1.00 22.01 H new ATOM 0 HA ALA A 50 -0.572 17.677 -1.903 1.00 21.12 H new ATOM 0 HB1 ALA A 50 -0.892 15.299 -2.508 1.00 62.04 H new ATOM 0 HB2 ALA A 50 -2.019 15.813 -1.230 1.00 62.04 H new ATOM 0 HB3 ALA A 50 -2.593 15.638 -2.906 1.00 62.04 H new ATOM 737 N GLY A 51 -1.864 17.983 -4.857 1.00 64.10 N ATOM 738 CA GLY A 51 -1.537 18.182 -6.257 1.00 63.52 C ATOM 739 C GLY A 51 -2.028 17.048 -7.134 1.00 33.23 C ATOM 740 O GLY A 51 -1.353 16.647 -8.082 1.00 1.02 O ATOM 0 H GLY A 51 -2.831 18.191 -4.609 1.00 64.10 H new ATOM 0 HA2 GLY A 51 -1.976 19.119 -6.600 1.00 63.52 H new ATOM 0 HA3 GLY A 51 -0.457 18.279 -6.364 1.00 63.52 H new ATOM 744 N PHE A 52 -3.210 16.526 -6.817 1.00 44.03 N ATOM 745 CA PHE A 52 -3.791 15.428 -7.582 1.00 51.43 C ATOM 746 C PHE A 52 -5.291 15.633 -7.770 1.00 73.53 C ATOM 747 O PHE A 52 -6.115 15.071 -7.047 1.00 70.34 O ATOM 748 CB PHE A 52 -3.530 14.095 -6.880 1.00 44.41 C ATOM 749 CG PHE A 52 -2.082 13.692 -6.877 1.00 53.23 C ATOM 750 CD1 PHE A 52 -1.471 13.252 -8.040 1.00 4.41 C ATOM 751 CD2 PHE A 52 -1.334 13.753 -5.712 1.00 71.12 C ATOM 752 CE1 PHE A 52 -0.138 12.880 -8.041 1.00 13.52 C ATOM 753 CE2 PHE A 52 -0.003 13.384 -5.708 1.00 61.31 C ATOM 754 CZ PHE A 52 0.596 12.946 -6.873 1.00 61.25 C ATOM 0 H PHE A 52 -3.783 16.846 -6.036 1.00 44.03 H new ATOM 0 HA PHE A 52 -3.318 15.411 -8.564 1.00 51.43 H new ATOM 0 HB2 PHE A 52 -3.883 14.160 -5.851 1.00 44.41 H new ATOM 0 HB3 PHE A 52 -4.115 13.316 -7.369 1.00 44.41 H new ATOM 0 HD1 PHE A 52 -2.041 13.199 -8.956 1.00 4.41 H new ATOM 0 HD2 PHE A 52 -1.797 14.093 -4.797 1.00 71.12 H new ATOM 0 HE1 PHE A 52 0.328 12.539 -8.954 1.00 13.52 H new ATOM 0 HE2 PHE A 52 0.569 13.438 -4.794 1.00 61.31 H new ATOM 0 HZ PHE A 52 1.636 12.656 -6.871 1.00 61.25 H new ATOM 764 N PRO A 53 -5.657 16.454 -8.764 1.00 43.15 N ATOM 765 CA PRO A 53 -7.058 16.751 -9.072 1.00 54.14 C ATOM 766 C PRO A 53 -7.789 15.551 -9.665 1.00 64.20 C ATOM 767 O PRO A 53 -8.979 15.624 -9.970 1.00 51.43 O ATOM 768 CB PRO A 53 -6.964 17.881 -10.101 1.00 32.04 C ATOM 769 CG PRO A 53 -5.631 17.703 -10.739 1.00 1.05 C ATOM 770 CD PRO A 53 -4.729 17.157 -9.667 1.00 4.05 C ATOM 0 HA PRO A 53 -7.624 17.015 -8.179 1.00 54.14 H new ATOM 0 HB2 PRO A 53 -7.766 17.815 -10.836 1.00 32.04 H new ATOM 0 HB3 PRO A 53 -7.048 18.858 -9.625 1.00 32.04 H new ATOM 0 HG2 PRO A 53 -5.691 17.018 -11.585 1.00 1.05 H new ATOM 0 HG3 PRO A 53 -5.252 18.650 -11.123 1.00 1.05 H new ATOM 0 HD2 PRO A 53 -3.980 16.481 -10.079 1.00 4.05 H new ATOM 0 HD3 PRO A 53 -4.191 17.952 -9.151 1.00 4.05 H new ATOM 778 N LYS A 54 -7.068 14.446 -9.824 1.00 33.20 N ATOM 779 CA LYS A 54 -7.648 13.228 -10.379 1.00 31.54 C ATOM 780 C LYS A 54 -7.478 12.057 -9.416 1.00 33.10 C ATOM 781 O LYS A 54 -8.368 11.220 -9.278 1.00 73.11 O ATOM 782 CB LYS A 54 -6.997 12.895 -11.723 1.00 13.11 C ATOM 783 CG LYS A 54 -7.653 11.732 -12.445 1.00 73.24 C ATOM 784 CD LYS A 54 -9.105 12.030 -12.780 1.00 50.41 C ATOM 785 CE LYS A 54 -9.553 11.288 -14.030 1.00 34.24 C ATOM 786 NZ LYS A 54 -10.332 10.063 -13.697 1.00 42.42 N ATOM 0 H LYS A 54 -6.081 14.369 -9.577 1.00 33.20 H new ATOM 0 HA LYS A 54 -8.714 13.399 -10.531 1.00 31.54 H new ATOM 0 HB2 LYS A 54 -7.034 13.776 -12.363 1.00 13.11 H new ATOM 0 HB3 LYS A 54 -5.944 12.663 -11.560 1.00 13.11 H new ATOM 0 HG2 LYS A 54 -7.104 11.516 -13.362 1.00 73.24 H new ATOM 0 HG3 LYS A 54 -7.598 10.839 -11.823 1.00 73.24 H new ATOM 0 HD2 LYS A 54 -9.739 11.746 -11.940 1.00 50.41 H new ATOM 0 HD3 LYS A 54 -9.233 13.102 -12.927 1.00 50.41 H new ATOM 0 HE2 LYS A 54 -10.162 11.949 -14.647 1.00 34.24 H new ATOM 0 HE3 LYS A 54 -8.680 11.014 -14.622 1.00 34.24 H new ATOM 0 HZ1 LYS A 54 -10.619 9.585 -14.575 1.00 42.42 H new ATOM 0 HZ2 LYS A 54 -9.743 9.420 -13.130 1.00 42.42 H new ATOM 0 HZ3 LYS A 54 -11.178 10.327 -13.153 1.00 42.42 H new ATOM 800 N GLY A 55 -6.329 12.006 -8.750 1.00 43.31 N ATOM 801 CA GLY A 55 -6.063 10.936 -7.807 1.00 74.10 C ATOM 802 C GLY A 55 -4.846 10.116 -8.187 1.00 44.14 C ATOM 803 O GLY A 55 -4.253 10.326 -9.246 1.00 33.01 O ATOM 0 H GLY A 55 -5.577 12.688 -8.847 1.00 43.31 H new ATOM 0 HA2 GLY A 55 -5.916 11.360 -6.814 1.00 74.10 H new ATOM 0 HA3 GLY A 55 -6.934 10.283 -7.749 1.00 74.10 H new ATOM 807 N VAL A 56 -4.470 9.181 -7.321 1.00 10.14 N ATOM 808 CA VAL A 56 -3.314 8.328 -7.570 1.00 41.12 C ATOM 809 C VAL A 56 -3.494 6.957 -6.927 1.00 45.34 C ATOM 810 O VAL A 56 -4.016 6.845 -5.818 1.00 64.42 O ATOM 811 CB VAL A 56 -2.019 8.968 -7.036 1.00 64.22 C ATOM 812 CG1 VAL A 56 -2.060 9.072 -5.520 1.00 31.34 C ATOM 813 CG2 VAL A 56 -0.805 8.171 -7.491 1.00 2.24 C ATOM 0 H VAL A 56 -4.949 8.995 -6.440 1.00 10.14 H new ATOM 0 HA VAL A 56 -3.233 8.211 -8.651 1.00 41.12 H new ATOM 0 HB VAL A 56 -1.938 9.976 -7.443 1.00 64.22 H new ATOM 0 HG11 VAL A 56 -1.136 9.527 -5.161 1.00 31.34 H new ATOM 0 HG12 VAL A 56 -2.908 9.688 -5.220 1.00 31.34 H new ATOM 0 HG13 VAL A 56 -2.165 8.076 -5.090 1.00 31.34 H new ATOM 0 HG21 VAL A 56 0.102 8.637 -7.105 1.00 2.24 H new ATOM 0 HG22 VAL A 56 -0.877 7.151 -7.114 1.00 2.24 H new ATOM 0 HG23 VAL A 56 -0.768 8.154 -8.580 1.00 2.24 H new ATOM 823 N ALA A 57 -3.057 5.918 -7.632 1.00 31.13 N ATOM 824 CA ALA A 57 -3.167 4.554 -7.128 1.00 13.30 C ATOM 825 C ALA A 57 -1.902 3.757 -7.423 1.00 24.01 C ATOM 826 O ALA A 57 -1.395 3.769 -8.545 1.00 73.02 O ATOM 827 CB ALA A 57 -4.382 3.865 -7.734 1.00 43.20 C ATOM 0 H ALA A 57 -2.624 5.995 -8.552 1.00 31.13 H new ATOM 0 HA ALA A 57 -3.291 4.600 -6.046 1.00 13.30 H new ATOM 0 HB1 ALA A 57 -4.453 2.847 -7.350 1.00 43.20 H new ATOM 0 HB2 ALA A 57 -5.284 4.417 -7.468 1.00 43.20 H new ATOM 0 HB3 ALA A 57 -4.281 3.837 -8.819 1.00 43.20 H new ATOM 833 N VAL A 58 -1.394 3.064 -6.408 1.00 51.34 N ATOM 834 CA VAL A 58 -0.187 2.260 -6.559 1.00 35.15 C ATOM 835 C VAL A 58 -0.510 0.771 -6.510 1.00 30.42 C ATOM 836 O VAL A 58 -1.064 0.276 -5.527 1.00 51.24 O ATOM 837 CB VAL A 58 0.845 2.587 -5.464 1.00 13.13 C ATOM 838 CG1 VAL A 58 1.897 1.491 -5.377 1.00 55.32 C ATOM 839 CG2 VAL A 58 1.492 3.938 -5.729 1.00 14.22 C ATOM 0 H VAL A 58 -1.800 3.043 -5.472 1.00 51.34 H new ATOM 0 HA VAL A 58 0.238 2.505 -7.533 1.00 35.15 H new ATOM 0 HB VAL A 58 0.328 2.639 -4.506 1.00 13.13 H new ATOM 0 HG11 VAL A 58 2.618 1.739 -4.598 1.00 55.32 H new ATOM 0 HG12 VAL A 58 1.416 0.543 -5.137 1.00 55.32 H new ATOM 0 HG13 VAL A 58 2.412 1.404 -6.334 1.00 55.32 H new ATOM 0 HG21 VAL A 58 2.219 4.153 -4.946 1.00 14.22 H new ATOM 0 HG22 VAL A 58 1.996 3.917 -6.695 1.00 14.22 H new ATOM 0 HG23 VAL A 58 0.726 4.713 -5.736 1.00 14.22 H new ATOM 849 N VAL A 59 -0.159 0.059 -7.576 1.00 63.30 N ATOM 850 CA VAL A 59 -0.409 -1.375 -7.655 1.00 72.41 C ATOM 851 C VAL A 59 0.739 -2.167 -7.040 1.00 72.50 C ATOM 852 O VAL A 59 1.843 -1.649 -6.866 1.00 32.10 O ATOM 853 CB VAL A 59 -0.611 -1.831 -9.113 1.00 11.14 C ATOM 854 CG1 VAL A 59 -1.038 -3.290 -9.162 1.00 32.14 C ATOM 855 CG2 VAL A 59 -1.630 -0.944 -9.811 1.00 53.12 C ATOM 0 H VAL A 59 0.300 0.453 -8.398 1.00 63.30 H new ATOM 0 HA VAL A 59 -1.322 -1.569 -7.093 1.00 72.41 H new ATOM 0 HB VAL A 59 0.339 -1.738 -9.640 1.00 11.14 H new ATOM 0 HG11 VAL A 59 -1.176 -3.594 -10.200 1.00 32.14 H new ATOM 0 HG12 VAL A 59 -0.269 -3.910 -8.701 1.00 32.14 H new ATOM 0 HG13 VAL A 59 -1.976 -3.413 -8.620 1.00 32.14 H new ATOM 0 HG21 VAL A 59 -1.761 -1.280 -10.840 1.00 53.12 H new ATOM 0 HG22 VAL A 59 -2.584 -1.003 -9.286 1.00 53.12 H new ATOM 0 HG23 VAL A 59 -1.277 0.087 -9.808 1.00 53.12 H new ATOM 865 N LEU A 60 0.473 -3.428 -6.714 1.00 11.02 N ATOM 866 CA LEU A 60 1.485 -4.294 -6.119 1.00 52.10 C ATOM 867 C LEU A 60 1.180 -5.762 -6.403 1.00 14.33 C ATOM 868 O LEU A 60 0.547 -6.441 -5.595 1.00 15.02 O ATOM 869 CB LEU A 60 1.560 -4.059 -4.609 1.00 23.34 C ATOM 870 CG LEU A 60 1.813 -2.618 -4.166 1.00 23.31 C ATOM 871 CD1 LEU A 60 1.488 -2.449 -2.690 1.00 31.00 C ATOM 872 CD2 LEU A 60 3.255 -2.219 -4.445 1.00 52.05 C ATOM 0 H LEU A 60 -0.435 -3.873 -6.852 1.00 11.02 H new ATOM 0 HA LEU A 60 2.448 -4.049 -6.567 1.00 52.10 H new ATOM 0 HB2 LEU A 60 0.625 -4.396 -4.162 1.00 23.34 H new ATOM 0 HB3 LEU A 60 2.353 -4.687 -4.203 1.00 23.34 H new ATOM 0 HG LEU A 60 1.158 -1.962 -4.739 1.00 23.31 H new ATOM 0 HD11 LEU A 60 1.674 -1.417 -2.392 1.00 31.00 H new ATOM 0 HD12 LEU A 60 0.440 -2.693 -2.518 1.00 31.00 H new ATOM 0 HD13 LEU A 60 2.117 -3.116 -2.100 1.00 31.00 H new ATOM 0 HD21 LEU A 60 3.417 -1.190 -4.123 1.00 52.05 H new ATOM 0 HD22 LEU A 60 3.928 -2.880 -3.899 1.00 52.05 H new ATOM 0 HD23 LEU A 60 3.455 -2.301 -5.513 1.00 52.05 H new ATOM 884 N ASP A 61 1.637 -6.243 -7.552 1.00 41.04 N ATOM 885 CA ASP A 61 1.417 -7.632 -7.942 1.00 11.20 C ATOM 886 C ASP A 61 2.251 -8.575 -7.082 1.00 33.34 C ATOM 887 O ASP A 61 3.448 -8.748 -7.311 1.00 25.32 O ATOM 888 CB ASP A 61 1.760 -7.830 -9.419 1.00 63.31 C ATOM 889 CG ASP A 61 1.878 -9.294 -9.794 1.00 1.01 C ATOM 890 OD1 ASP A 61 1.426 -10.148 -9.002 1.00 53.24 O ATOM 891 OD2 ASP A 61 2.425 -9.588 -10.878 1.00 53.42 O ATOM 0 H ASP A 61 2.163 -5.693 -8.231 1.00 41.04 H new ATOM 0 HA ASP A 61 0.363 -7.865 -7.788 1.00 11.20 H new ATOM 0 HB2 ASP A 61 0.991 -7.361 -10.034 1.00 63.31 H new ATOM 0 HB3 ASP A 61 2.699 -7.324 -9.642 1.00 63.31 H new ATOM 896 N LEU A 62 1.610 -9.185 -6.090 1.00 2.33 N ATOM 897 CA LEU A 62 2.293 -10.111 -5.193 1.00 73.22 C ATOM 898 C LEU A 62 2.126 -11.551 -5.669 1.00 2.21 C ATOM 899 O LEU A 62 1.248 -11.850 -6.477 1.00 53.03 O ATOM 900 CB LEU A 62 1.751 -9.967 -3.769 1.00 73.31 C ATOM 901 CG LEU A 62 1.372 -8.551 -3.336 1.00 34.12 C ATOM 902 CD1 LEU A 62 0.943 -8.536 -1.877 1.00 62.31 C ATOM 903 CD2 LEU A 62 2.534 -7.595 -3.562 1.00 0.13 C ATOM 0 H LEU A 62 0.619 -9.055 -5.887 1.00 2.33 H new ATOM 0 HA LEU A 62 3.355 -9.866 -5.197 1.00 73.22 H new ATOM 0 HB2 LEU A 62 0.872 -10.603 -3.670 1.00 73.31 H new ATOM 0 HB3 LEU A 62 2.500 -10.349 -3.076 1.00 73.31 H new ATOM 0 HG LEU A 62 0.531 -8.219 -3.944 1.00 34.12 H new ATOM 0 HD11 LEU A 62 0.677 -7.520 -1.586 1.00 62.31 H new ATOM 0 HD12 LEU A 62 0.080 -9.189 -1.745 1.00 62.31 H new ATOM 0 HD13 LEU A 62 1.764 -8.889 -1.253 1.00 62.31 H new ATOM 0 HD21 LEU A 62 2.246 -6.592 -3.248 1.00 0.13 H new ATOM 0 HD22 LEU A 62 3.395 -7.924 -2.980 1.00 0.13 H new ATOM 0 HD23 LEU A 62 2.795 -7.583 -4.620 1.00 0.13 H new ATOM 915 N TRP A 63 2.975 -12.438 -5.161 1.00 43.21 N ATOM 916 CA TRP A 63 2.921 -13.847 -5.533 1.00 50.11 C ATOM 917 C TRP A 63 3.332 -14.735 -4.364 1.00 43.32 C ATOM 918 O TRP A 63 4.512 -15.044 -4.191 1.00 51.34 O ATOM 919 CB TRP A 63 3.828 -14.113 -6.735 1.00 71.25 C ATOM 920 CG TRP A 63 3.674 -15.492 -7.302 1.00 21.14 C ATOM 921 CD1 TRP A 63 4.666 -16.406 -7.517 1.00 45.44 C ATOM 922 CD2 TRP A 63 2.456 -16.113 -7.726 1.00 32.21 C ATOM 923 NE1 TRP A 63 4.139 -17.557 -8.050 1.00 12.02 N ATOM 924 CE2 TRP A 63 2.784 -17.403 -8.187 1.00 65.40 C ATOM 925 CE3 TRP A 63 1.119 -15.707 -7.759 1.00 42.31 C ATOM 926 CZ2 TRP A 63 1.824 -18.286 -8.675 1.00 44.11 C ATOM 927 CZ3 TRP A 63 0.168 -16.583 -8.245 1.00 23.44 C ATOM 928 CH2 TRP A 63 0.524 -17.862 -8.697 1.00 44.54 C ATOM 0 H TRP A 63 3.708 -12.206 -4.491 1.00 43.21 H new ATOM 0 HA TRP A 63 1.892 -14.087 -5.803 1.00 50.11 H new ATOM 0 HB2 TRP A 63 3.611 -13.382 -7.514 1.00 71.25 H new ATOM 0 HB3 TRP A 63 4.866 -13.964 -6.438 1.00 71.25 H new ATOM 0 HD1 TRP A 63 5.712 -16.247 -7.300 1.00 45.44 H new ATOM 0 HE1 TRP A 63 4.670 -18.391 -8.303 1.00 12.02 H new ATOM 0 HE3 TRP A 63 0.834 -14.725 -7.410 1.00 42.31 H new ATOM 0 HZ2 TRP A 63 2.097 -19.271 -9.024 1.00 44.11 H new ATOM 0 HZ3 TRP A 63 -0.867 -16.278 -8.277 1.00 23.44 H new ATOM 0 HH2 TRP A 63 -0.243 -18.525 -9.070 1.00 44.54 H new ATOM 939 N HIS A 64 2.352 -15.142 -3.563 1.00 4.15 N ATOM 940 CA HIS A 64 2.614 -15.996 -2.409 1.00 72.24 C ATOM 941 C HIS A 64 3.597 -15.329 -1.451 1.00 52.02 C ATOM 942 O HIS A 64 4.474 -15.984 -0.892 1.00 4.05 O ATOM 943 CB HIS A 64 3.164 -17.348 -2.863 1.00 63.10 C ATOM 944 CG HIS A 64 2.101 -18.372 -3.120 1.00 44.20 C ATOM 945 ND1 HIS A 64 2.080 -19.605 -2.505 1.00 15.33 N ATOM 946 CD2 HIS A 64 1.018 -18.339 -3.931 1.00 44.24 C ATOM 947 CE1 HIS A 64 1.030 -20.287 -2.926 1.00 43.34 C ATOM 948 NE2 HIS A 64 0.369 -19.541 -3.793 1.00 3.12 N ATOM 0 H HIS A 64 1.371 -14.895 -3.691 1.00 4.15 H new ATOM 0 HA HIS A 64 1.672 -16.153 -1.883 1.00 72.24 H new ATOM 0 HB2 HIS A 64 3.748 -17.206 -3.772 1.00 63.10 H new ATOM 0 HB3 HIS A 64 3.846 -17.727 -2.102 1.00 63.10 H new ATOM 0 HD2 HIS A 64 0.720 -17.520 -4.568 1.00 44.24 H new ATOM 0 HE1 HIS A 64 0.758 -21.285 -2.614 1.00 43.34 H new ATOM 0 HE2 HIS A 64 -0.484 -19.814 -4.280 1.00 3.12 H new ATOM 957 N GLY A 65 3.443 -14.021 -1.269 1.00 34.21 N ATOM 958 CA GLY A 65 4.324 -13.287 -0.379 1.00 71.23 C ATOM 959 C GLY A 65 5.420 -12.553 -1.125 1.00 31.43 C ATOM 960 O GLY A 65 5.860 -11.485 -0.700 1.00 53.45 O ATOM 0 H GLY A 65 2.724 -13.457 -1.722 1.00 34.21 H new ATOM 0 HA2 GLY A 65 3.739 -12.571 0.198 1.00 71.23 H new ATOM 0 HA3 GLY A 65 4.774 -13.978 0.334 1.00 71.23 H new ATOM 964 N ALA A 66 5.864 -13.127 -2.238 1.00 31.51 N ATOM 965 CA ALA A 66 6.915 -12.520 -3.044 1.00 20.10 C ATOM 966 C ALA A 66 6.328 -11.609 -4.117 1.00 72.40 C ATOM 967 O ALA A 66 5.438 -12.011 -4.867 1.00 74.32 O ATOM 968 CB ALA A 66 7.783 -13.597 -3.680 1.00 34.35 C ATOM 0 H ALA A 66 5.512 -14.012 -2.602 1.00 31.51 H new ATOM 0 HA ALA A 66 7.535 -11.911 -2.387 1.00 20.10 H new ATOM 0 HB1 ALA A 66 8.564 -13.128 -4.279 1.00 34.35 H new ATOM 0 HB2 ALA A 66 8.240 -14.204 -2.899 1.00 34.35 H new ATOM 0 HB3 ALA A 66 7.167 -14.231 -4.318 1.00 34.35 H new ATOM 974 N CYS A 67 6.830 -10.381 -4.184 1.00 72.44 N ATOM 975 CA CYS A 67 6.354 -9.413 -5.165 1.00 71.11 C ATOM 976 C CYS A 67 6.724 -9.846 -6.582 1.00 33.35 C ATOM 977 O CYS A 67 7.407 -10.851 -6.775 1.00 31.00 O ATOM 978 CB CYS A 67 6.941 -8.031 -4.874 1.00 4.20 C ATOM 979 SG CYS A 67 5.919 -6.647 -5.473 1.00 22.35 S ATOM 0 H CYS A 67 7.567 -10.032 -3.571 1.00 72.44 H new ATOM 0 HA CYS A 67 5.268 -9.363 -5.091 1.00 71.11 H new ATOM 0 HB2 CYS A 67 7.080 -7.927 -3.798 1.00 4.20 H new ATOM 0 HB3 CYS A 67 7.928 -7.964 -5.331 1.00 4.20 H new ATOM 984 N ARG A 68 6.265 -9.081 -7.566 1.00 33.50 N ATOM 985 CA ARG A 68 6.546 -9.386 -8.964 1.00 54.10 C ATOM 986 C ARG A 68 6.510 -8.120 -9.814 1.00 52.44 C ATOM 987 O ARG A 68 7.428 -7.853 -10.589 1.00 12.14 O ATOM 988 CB ARG A 68 5.535 -10.402 -9.499 1.00 71.14 C ATOM 989 CG ARG A 68 6.041 -11.193 -10.695 1.00 52.41 C ATOM 990 CD ARG A 68 7.234 -12.059 -10.325 1.00 30.24 C ATOM 991 NE ARG A 68 6.956 -13.481 -10.507 1.00 1.30 N ATOM 992 CZ ARG A 68 6.690 -14.032 -11.686 1.00 22.34 C ATOM 993 NH1 ARG A 68 6.669 -13.286 -12.781 1.00 54.51 N ATOM 994 NH2 ARG A 68 6.448 -15.335 -11.771 1.00 51.42 N ATOM 0 H ARG A 68 5.697 -8.246 -7.422 1.00 33.50 H new ATOM 0 HA ARG A 68 7.547 -9.814 -9.023 1.00 54.10 H new ATOM 0 HB2 ARG A 68 5.272 -11.096 -8.700 1.00 71.14 H new ATOM 0 HB3 ARG A 68 4.621 -9.879 -9.780 1.00 71.14 H new ATOM 0 HG2 ARG A 68 5.239 -11.822 -11.082 1.00 52.41 H new ATOM 0 HG3 ARG A 68 6.322 -10.507 -11.494 1.00 52.41 H new ATOM 0 HD2 ARG A 68 8.091 -11.776 -10.937 1.00 30.24 H new ATOM 0 HD3 ARG A 68 7.508 -11.873 -9.287 1.00 30.24 H new ATOM 0 HE ARG A 68 6.967 -14.084 -9.684 1.00 1.30 H new ATOM 0 HH11 ARG A 68 6.857 -12.285 -12.720 1.00 54.51 H new ATOM 0 HH12 ARG A 68 6.464 -13.712 -13.685 1.00 54.51 H new ATOM 0 HH21 ARG A 68 6.466 -15.913 -10.931 1.00 51.42 H new ATOM 0 HH22 ARG A 68 6.244 -15.758 -12.677 1.00 51.42 H new ATOM 1008 N GLY A 69 5.441 -7.342 -9.666 1.00 31.24 N ATOM 1009 CA GLY A 69 5.305 -6.114 -10.427 1.00 35.13 C ATOM 1010 C GLY A 69 4.676 -4.998 -9.617 1.00 54.53 C ATOM 1011 O GLY A 69 3.945 -5.252 -8.660 1.00 15.11 O ATOM 0 H GLY A 69 4.667 -7.541 -9.032 1.00 31.24 H new ATOM 0 HA2 GLY A 69 6.287 -5.796 -10.777 1.00 35.13 H new ATOM 0 HA3 GLY A 69 4.697 -6.304 -11.312 1.00 35.13 H new ATOM 1015 N ALA A 70 4.959 -3.758 -10.001 1.00 63.33 N ATOM 1016 CA ALA A 70 4.415 -2.598 -9.305 1.00 64.41 C ATOM 1017 C ALA A 70 4.445 -1.360 -10.194 1.00 4.15 C ATOM 1018 O ALA A 70 5.454 -1.070 -10.838 1.00 64.12 O ATOM 1019 CB ALA A 70 5.187 -2.345 -8.018 1.00 63.53 C ATOM 0 H ALA A 70 5.563 -3.530 -10.791 1.00 63.33 H new ATOM 0 HA ALA A 70 3.375 -2.809 -9.057 1.00 64.41 H new ATOM 0 HB1 ALA A 70 4.770 -1.476 -7.509 1.00 63.53 H new ATOM 0 HB2 ALA A 70 5.109 -3.218 -7.370 1.00 63.53 H new ATOM 0 HB3 ALA A 70 6.235 -2.160 -8.253 1.00 63.53 H new ATOM 1025 N LYS A 71 3.335 -0.632 -10.225 1.00 32.11 N ATOM 1026 CA LYS A 71 3.233 0.576 -11.035 1.00 11.22 C ATOM 1027 C LYS A 71 2.281 1.581 -10.395 1.00 14.24 C ATOM 1028 O LYS A 71 1.504 1.235 -9.505 1.00 12.11 O ATOM 1029 CB LYS A 71 2.752 0.230 -12.446 1.00 31.03 C ATOM 1030 CG LYS A 71 1.398 -0.457 -12.475 1.00 51.14 C ATOM 1031 CD LYS A 71 0.770 -0.391 -13.857 1.00 53.22 C ATOM 1032 CE LYS A 71 -0.349 0.638 -13.912 1.00 74.11 C ATOM 1033 NZ LYS A 71 -1.056 0.620 -15.224 1.00 30.03 N ATOM 0 H LYS A 71 2.492 -0.858 -9.698 1.00 32.11 H new ATOM 0 HA LYS A 71 4.223 1.027 -11.096 1.00 11.22 H new ATOM 0 HB2 LYS A 71 2.699 1.144 -13.037 1.00 31.03 H new ATOM 0 HB3 LYS A 71 3.488 -0.416 -12.924 1.00 31.03 H new ATOM 0 HG2 LYS A 71 1.511 -1.499 -12.175 1.00 51.14 H new ATOM 0 HG3 LYS A 71 0.734 0.014 -11.750 1.00 51.14 H new ATOM 0 HD2 LYS A 71 1.534 -0.140 -14.593 1.00 53.22 H new ATOM 0 HD3 LYS A 71 0.378 -1.372 -14.127 1.00 53.22 H new ATOM 0 HE2 LYS A 71 -1.063 0.441 -13.112 1.00 74.11 H new ATOM 0 HE3 LYS A 71 0.062 1.632 -13.735 1.00 74.11 H new ATOM 0 HZ1 LYS A 71 -1.811 1.335 -15.221 1.00 30.03 H new ATOM 0 HZ2 LYS A 71 -0.380 0.833 -15.985 1.00 30.03 H new ATOM 0 HZ3 LYS A 71 -1.471 -0.321 -15.382 1.00 30.03 H new ATOM 1047 N ALA A 72 2.347 2.826 -10.852 1.00 50.53 N ATOM 1048 CA ALA A 72 1.489 3.881 -10.327 1.00 3.13 C ATOM 1049 C ALA A 72 0.459 4.318 -11.363 1.00 74.31 C ATOM 1050 O ALA A 72 0.686 4.201 -12.567 1.00 13.42 O ATOM 1051 CB ALA A 72 2.327 5.070 -9.879 1.00 33.10 C ATOM 0 H ALA A 72 2.987 3.130 -11.586 1.00 50.53 H new ATOM 0 HA ALA A 72 0.953 3.483 -9.465 1.00 3.13 H new ATOM 0 HB1 ALA A 72 1.673 5.850 -9.489 1.00 33.10 H new ATOM 0 HB2 ALA A 72 3.019 4.754 -9.099 1.00 33.10 H new ATOM 0 HB3 ALA A 72 2.890 5.459 -10.728 1.00 33.10 H new ATOM 1057 N VAL A 73 -0.676 4.822 -10.887 1.00 25.31 N ATOM 1058 CA VAL A 73 -1.741 5.277 -11.772 1.00 3.13 C ATOM 1059 C VAL A 73 -2.283 6.631 -11.328 1.00 53.25 C ATOM 1060 O VAL A 73 -2.154 7.011 -10.166 1.00 15.35 O ATOM 1061 CB VAL A 73 -2.900 4.264 -11.822 1.00 22.31 C ATOM 1062 CG1 VAL A 73 -3.739 4.472 -13.074 1.00 23.00 C ATOM 1063 CG2 VAL A 73 -2.367 2.840 -11.759 1.00 4.22 C ATOM 0 H VAL A 73 -0.881 4.925 -9.893 1.00 25.31 H new ATOM 0 HA VAL A 73 -1.307 5.371 -12.768 1.00 3.13 H new ATOM 0 HB VAL A 73 -3.539 4.428 -10.954 1.00 22.31 H new ATOM 0 HG11 VAL A 73 -4.553 3.747 -13.091 1.00 23.00 H new ATOM 0 HG12 VAL A 73 -4.152 5.481 -13.072 1.00 23.00 H new ATOM 0 HG13 VAL A 73 -3.114 4.337 -13.957 1.00 23.00 H new ATOM 0 HG21 VAL A 73 -3.200 2.138 -11.795 1.00 4.22 H new ATOM 0 HG22 VAL A 73 -1.705 2.662 -12.606 1.00 4.22 H new ATOM 0 HG23 VAL A 73 -1.814 2.699 -10.830 1.00 4.22 H new ATOM 1073 N GLU A 74 -2.891 7.355 -12.264 1.00 65.40 N ATOM 1074 CA GLU A 74 -3.452 8.667 -11.969 1.00 22.03 C ATOM 1075 C GLU A 74 -4.963 8.582 -11.776 1.00 22.14 C ATOM 1076 O GLU A 74 -5.724 8.576 -12.741 1.00 54.22 O ATOM 1077 CB GLU A 74 -3.125 9.650 -13.095 1.00 54.42 C ATOM 1078 CG GLU A 74 -1.787 10.350 -12.925 1.00 72.20 C ATOM 1079 CD GLU A 74 -1.933 11.780 -12.443 1.00 44.15 C ATOM 1080 OE1 GLU A 74 -2.767 12.022 -11.545 1.00 62.51 O ATOM 1081 OE2 GLU A 74 -1.214 12.658 -12.964 1.00 74.44 O ATOM 0 H GLU A 74 -3.007 7.054 -13.232 1.00 65.40 H new ATOM 0 HA GLU A 74 -3.005 9.025 -11.042 1.00 22.03 H new ATOM 0 HB2 GLU A 74 -3.127 9.115 -14.045 1.00 54.42 H new ATOM 0 HB3 GLU A 74 -3.913 10.401 -13.150 1.00 54.42 H new ATOM 0 HG2 GLU A 74 -1.177 9.792 -12.215 1.00 72.20 H new ATOM 0 HG3 GLU A 74 -1.255 10.344 -13.876 1.00 72.20 H new ATOM 1120 N GLU A 78 -6.523 -0.572 -10.747 1.00 53.20 N ATOM 1121 CA GLU A 78 -6.967 -1.905 -11.135 1.00 63.12 C ATOM 1122 C GLU A 78 -6.135 -2.979 -10.440 1.00 4.30 C ATOM 1123 O GLU A 78 -4.905 -2.932 -10.454 1.00 42.34 O ATOM 1124 CB GLU A 78 -6.875 -2.076 -12.653 1.00 70.10 C ATOM 1125 CG GLU A 78 -8.121 -2.685 -13.274 1.00 32.32 C ATOM 1126 CD GLU A 78 -8.507 -2.021 -14.581 1.00 13.42 C ATOM 1127 OE1 GLU A 78 -8.496 -0.774 -14.638 1.00 54.41 O ATOM 1128 OE2 GLU A 78 -8.819 -2.749 -15.547 1.00 23.13 O ATOM 0 HA GLU A 78 -8.006 -2.018 -10.826 1.00 63.12 H new ATOM 0 HB2 GLU A 78 -6.690 -1.103 -13.109 1.00 70.10 H new ATOM 0 HB3 GLU A 78 -6.017 -2.706 -12.888 1.00 70.10 H new ATOM 0 HG2 GLU A 78 -7.953 -3.748 -13.447 1.00 32.32 H new ATOM 0 HG3 GLU A 78 -8.950 -2.603 -12.571 1.00 32.32 H new ATOM 1135 N ALA A 79 -6.815 -3.945 -9.832 1.00 70.52 N ATOM 1136 CA ALA A 79 -6.139 -5.031 -9.133 1.00 34.21 C ATOM 1137 C ALA A 79 -7.126 -5.853 -8.312 1.00 61.22 C ATOM 1138 O ALA A 79 -8.157 -5.344 -7.871 1.00 22.52 O ATOM 1139 CB ALA A 79 -5.038 -4.479 -8.240 1.00 62.25 C ATOM 0 H ALA A 79 -7.833 -3.998 -9.809 1.00 70.52 H new ATOM 0 HA ALA A 79 -5.692 -5.688 -9.879 1.00 34.21 H new ATOM 0 HB1 ALA A 79 -4.542 -5.301 -7.724 1.00 62.25 H new ATOM 0 HB2 ALA A 79 -4.311 -3.941 -8.849 1.00 62.25 H new ATOM 0 HB3 ALA A 79 -5.471 -3.799 -7.506 1.00 62.25 H new ATOM 1145 N ASP A 80 -6.806 -7.126 -8.111 1.00 25.34 N ATOM 1146 CA ASP A 80 -7.664 -8.020 -7.341 1.00 71.24 C ATOM 1147 C ASP A 80 -8.220 -7.312 -6.110 1.00 31.11 C ATOM 1148 O ASP A 80 -9.333 -7.595 -5.668 1.00 20.33 O ATOM 1149 CB ASP A 80 -6.890 -9.270 -6.921 1.00 5.32 C ATOM 1150 CG ASP A 80 -6.652 -10.220 -8.078 1.00 11.40 C ATOM 1151 OD1 ASP A 80 -6.357 -9.738 -9.191 1.00 44.43 O ATOM 1152 OD2 ASP A 80 -6.759 -11.447 -7.869 1.00 52.23 O ATOM 0 H ASP A 80 -5.958 -7.563 -8.471 1.00 25.34 H new ATOM 0 HA ASP A 80 -8.499 -8.317 -7.975 1.00 71.24 H new ATOM 0 HB2 ASP A 80 -5.931 -8.974 -6.495 1.00 5.32 H new ATOM 0 HB3 ASP A 80 -7.441 -9.789 -6.137 1.00 5.32 H new ATOM 1157 N PHE A 81 -7.436 -6.391 -5.560 1.00 14.44 N ATOM 1158 CA PHE A 81 -7.849 -5.643 -4.378 1.00 53.20 C ATOM 1159 C PHE A 81 -7.532 -4.158 -4.534 1.00 74.55 C ATOM 1160 O PHE A 81 -6.404 -3.783 -4.854 1.00 60.34 O ATOM 1161 CB PHE A 81 -7.155 -6.195 -3.131 1.00 15.15 C ATOM 1162 CG PHE A 81 -7.502 -7.626 -2.836 1.00 62.31 C ATOM 1163 CD1 PHE A 81 -8.739 -7.959 -2.308 1.00 0.10 C ATOM 1164 CD2 PHE A 81 -6.591 -8.640 -3.089 1.00 13.52 C ATOM 1165 CE1 PHE A 81 -9.060 -9.275 -2.035 1.00 71.52 C ATOM 1166 CE2 PHE A 81 -6.907 -9.958 -2.818 1.00 42.11 C ATOM 1167 CZ PHE A 81 -8.143 -10.276 -2.292 1.00 61.31 C ATOM 0 H PHE A 81 -6.511 -6.145 -5.914 1.00 14.44 H new ATOM 0 HA PHE A 81 -8.927 -5.756 -4.266 1.00 53.20 H new ATOM 0 HB2 PHE A 81 -6.076 -6.110 -3.258 1.00 15.15 H new ATOM 0 HB3 PHE A 81 -7.424 -5.580 -2.273 1.00 15.15 H new ATOM 0 HD1 PHE A 81 -9.461 -7.181 -2.107 1.00 0.10 H new ATOM 0 HD2 PHE A 81 -5.623 -8.397 -3.503 1.00 13.52 H new ATOM 0 HE1 PHE A 81 -10.027 -9.521 -1.621 1.00 71.52 H new ATOM 0 HE2 PHE A 81 -6.188 -10.738 -3.018 1.00 42.11 H new ATOM 0 HZ PHE A 81 -8.393 -11.305 -2.082 1.00 61.31 H new ATOM 1177 N VAL A 82 -8.537 -3.318 -4.308 1.00 11.52 N ATOM 1178 CA VAL A 82 -8.366 -1.875 -4.422 1.00 55.43 C ATOM 1179 C VAL A 82 -8.977 -1.152 -3.227 1.00 1.53 C ATOM 1180 O VAL A 82 -10.122 -1.408 -2.853 1.00 74.32 O ATOM 1181 CB VAL A 82 -9.006 -1.335 -5.716 1.00 1.05 C ATOM 1182 CG1 VAL A 82 -8.772 0.162 -5.844 1.00 24.24 C ATOM 1183 CG2 VAL A 82 -8.461 -2.075 -6.928 1.00 41.21 C ATOM 0 H VAL A 82 -9.478 -3.612 -4.045 1.00 11.52 H new ATOM 0 HA VAL A 82 -7.293 -1.685 -4.448 1.00 55.43 H new ATOM 0 HB VAL A 82 -10.081 -1.506 -5.668 1.00 1.05 H new ATOM 0 HG11 VAL A 82 -9.231 0.525 -6.764 1.00 24.24 H new ATOM 0 HG12 VAL A 82 -9.216 0.674 -4.990 1.00 24.24 H new ATOM 0 HG13 VAL A 82 -7.701 0.362 -5.870 1.00 24.24 H new ATOM 0 HG21 VAL A 82 -8.923 -1.681 -7.833 1.00 41.21 H new ATOM 0 HG22 VAL A 82 -7.381 -1.938 -6.983 1.00 41.21 H new ATOM 0 HG23 VAL A 82 -8.687 -3.137 -6.838 1.00 41.21 H new ATOM 1193 N ILE A 83 -8.206 -0.248 -2.632 1.00 74.24 N ATOM 1194 CA ILE A 83 -8.672 0.513 -1.479 1.00 73.33 C ATOM 1195 C ILE A 83 -8.492 2.012 -1.701 1.00 63.40 C ATOM 1196 O ILE A 83 -7.396 2.475 -2.013 1.00 21.21 O ATOM 1197 CB ILE A 83 -7.928 0.102 -0.196 1.00 12.13 C ATOM 1198 CG1 ILE A 83 -7.933 -1.421 -0.043 1.00 45.23 C ATOM 1199 CG2 ILE A 83 -8.564 0.763 1.019 1.00 4.14 C ATOM 1200 CD1 ILE A 83 -7.003 -1.922 1.040 1.00 13.33 C ATOM 0 H ILE A 83 -7.256 -0.025 -2.929 1.00 74.24 H new ATOM 0 HA ILE A 83 -9.732 0.290 -1.361 1.00 73.33 H new ATOM 0 HB ILE A 83 -6.894 0.438 -0.270 1.00 12.13 H new ATOM 0 HG12 ILE A 83 -8.947 -1.753 0.178 1.00 45.23 H new ATOM 0 HG13 ILE A 83 -7.649 -1.875 -0.993 1.00 45.23 H new ATOM 0 HG21 ILE A 83 -8.027 0.463 1.919 1.00 4.14 H new ATOM 0 HG22 ILE A 83 -8.515 1.847 0.911 1.00 4.14 H new ATOM 0 HG23 ILE A 83 -9.606 0.453 1.098 1.00 4.14 H new ATOM 0 HD11 ILE A 83 -7.058 -3.009 1.092 1.00 13.33 H new ATOM 0 HD12 ILE A 83 -5.981 -1.621 0.810 1.00 13.33 H new ATOM 0 HD13 ILE A 83 -7.299 -1.497 1.999 1.00 13.33 H new ATOM 1212 N GLU A 84 -9.576 2.764 -1.535 1.00 23.55 N ATOM 1213 CA GLU A 84 -9.536 4.210 -1.715 1.00 71.41 C ATOM 1214 C GLU A 84 -9.823 4.930 -0.401 1.00 53.32 C ATOM 1215 O GLU A 84 -10.744 4.567 0.329 1.00 4.14 O ATOM 1216 CB GLU A 84 -10.549 4.641 -2.778 1.00 40.22 C ATOM 1217 CG GLU A 84 -10.945 6.104 -2.683 1.00 12.54 C ATOM 1218 CD GLU A 84 -12.012 6.488 -3.690 1.00 20.34 C ATOM 1219 OE1 GLU A 84 -13.161 6.022 -3.544 1.00 0.11 O ATOM 1220 OE2 GLU A 84 -11.696 7.253 -4.625 1.00 14.14 O ATOM 0 H GLU A 84 -10.491 2.396 -1.276 1.00 23.55 H new ATOM 0 HA GLU A 84 -8.534 4.482 -2.046 1.00 71.41 H new ATOM 0 HB2 GLU A 84 -10.130 4.450 -3.766 1.00 40.22 H new ATOM 0 HB3 GLU A 84 -11.443 4.025 -2.687 1.00 40.22 H new ATOM 0 HG2 GLU A 84 -11.309 6.313 -1.677 1.00 12.54 H new ATOM 0 HG3 GLU A 84 -10.063 6.726 -2.839 1.00 12.54 H new ATOM 1227 N ALA A 85 -9.026 5.952 -0.108 1.00 14.40 N ATOM 1228 CA ALA A 85 -9.195 6.726 1.116 1.00 33.14 C ATOM 1229 C ALA A 85 -8.510 8.084 1.007 1.00 63.13 C ATOM 1230 O ALA A 85 -7.714 8.316 0.097 1.00 52.51 O ATOM 1231 CB ALA A 85 -8.650 5.952 2.308 1.00 32.02 C ATOM 0 H ALA A 85 -8.257 6.263 -0.701 1.00 14.40 H new ATOM 0 HA ALA A 85 -10.261 6.898 1.264 1.00 33.14 H new ATOM 0 HB1 ALA A 85 -8.782 6.541 3.216 1.00 32.02 H new ATOM 0 HB2 ALA A 85 -9.188 5.009 2.406 1.00 32.02 H new ATOM 0 HB3 ALA A 85 -7.589 5.751 2.157 1.00 32.02 H new ATOM 1237 N ASP A 86 -8.825 8.976 1.940 1.00 61.05 N ATOM 1238 CA ASP A 86 -8.239 10.311 1.948 1.00 3.43 C ATOM 1239 C ASP A 86 -6.732 10.242 2.174 1.00 41.42 C ATOM 1240 O ASP A 86 -6.261 9.574 3.095 1.00 62.42 O ATOM 1241 CB ASP A 86 -8.890 11.171 3.033 1.00 73.21 C ATOM 1242 CG ASP A 86 -10.300 11.593 2.668 1.00 41.22 C ATOM 1243 OD1 ASP A 86 -10.455 12.658 2.034 1.00 43.43 O ATOM 1244 OD2 ASP A 86 -11.248 10.858 3.015 1.00 11.22 O ATOM 0 H ASP A 86 -9.482 8.799 2.700 1.00 61.05 H new ATOM 0 HA ASP A 86 -8.422 10.767 0.975 1.00 3.43 H new ATOM 0 HB2 ASP A 86 -8.911 10.614 3.970 1.00 73.21 H new ATOM 0 HB3 ASP A 86 -8.281 12.059 3.203 1.00 73.21 H new ATOM 1249 N LEU A 87 -5.979 10.936 1.326 1.00 1.24 N ATOM 1250 CA LEU A 87 -4.525 10.953 1.433 1.00 63.34 C ATOM 1251 C LEU A 87 -4.086 11.104 2.885 1.00 21.04 C ATOM 1252 O LEU A 87 -3.198 10.392 3.354 1.00 72.14 O ATOM 1253 CB LEU A 87 -3.945 12.093 0.591 1.00 33.43 C ATOM 1254 CG LEU A 87 -2.455 12.377 0.781 1.00 11.34 C ATOM 1255 CD1 LEU A 87 -1.618 11.255 0.186 1.00 4.32 C ATOM 1256 CD2 LEU A 87 -2.083 13.714 0.156 1.00 72.31 C ATOM 0 H LEU A 87 -6.352 11.494 0.558 1.00 1.24 H new ATOM 0 HA LEU A 87 -4.147 10.002 1.057 1.00 63.34 H new ATOM 0 HB2 LEU A 87 -4.120 11.866 -0.461 1.00 33.43 H new ATOM 0 HB3 LEU A 87 -4.500 13.004 0.817 1.00 33.43 H new ATOM 0 HG LEU A 87 -2.247 12.429 1.850 1.00 11.34 H new ATOM 0 HD11 LEU A 87 -0.560 11.474 0.331 1.00 4.32 H new ATOM 0 HD12 LEU A 87 -1.865 10.315 0.681 1.00 4.32 H new ATOM 0 HD13 LEU A 87 -1.829 11.170 -0.880 1.00 4.32 H new ATOM 0 HD21 LEU A 87 -1.019 13.900 0.301 1.00 72.31 H new ATOM 0 HD22 LEU A 87 -2.306 13.691 -0.911 1.00 72.31 H new ATOM 0 HD23 LEU A 87 -2.658 14.510 0.630 1.00 72.31 H new ATOM 1268 N ALA A 88 -4.715 12.036 3.594 1.00 60.42 N ATOM 1269 CA ALA A 88 -4.393 12.277 4.995 1.00 34.23 C ATOM 1270 C ALA A 88 -4.368 10.974 5.785 1.00 64.42 C ATOM 1271 O ALA A 88 -3.433 10.712 6.542 1.00 3.13 O ATOM 1272 CB ALA A 88 -5.393 13.247 5.606 1.00 11.34 C ATOM 0 H ALA A 88 -5.450 12.636 3.221 1.00 60.42 H new ATOM 0 HA ALA A 88 -3.398 12.719 5.043 1.00 34.23 H new ATOM 0 HB1 ALA A 88 -5.141 13.418 6.653 1.00 11.34 H new ATOM 0 HB2 ALA A 88 -5.360 14.193 5.065 1.00 11.34 H new ATOM 0 HB3 ALA A 88 -6.396 12.826 5.539 1.00 11.34 H new ATOM 1278 N THR A 89 -5.401 10.156 5.604 1.00 12.45 N ATOM 1279 CA THR A 89 -5.498 8.880 6.302 1.00 44.50 C ATOM 1280 C THR A 89 -4.415 7.915 5.833 1.00 32.30 C ATOM 1281 O THR A 89 -3.951 7.069 6.598 1.00 54.11 O ATOM 1282 CB THR A 89 -6.878 8.229 6.092 1.00 24.24 C ATOM 1283 OG1 THR A 89 -7.900 9.055 6.658 1.00 31.43 O ATOM 1284 CG2 THR A 89 -6.925 6.847 6.727 1.00 62.34 C ATOM 0 H THR A 89 -6.182 10.355 4.979 1.00 12.45 H new ATOM 0 HA THR A 89 -5.361 9.087 7.363 1.00 44.50 H new ATOM 0 HB THR A 89 -7.048 8.125 5.020 1.00 24.24 H new ATOM 0 HG1 THR A 89 -8.774 8.635 6.519 1.00 31.43 H new ATOM 0 HG21 THR A 89 -7.909 6.406 6.566 1.00 62.34 H new ATOM 0 HG22 THR A 89 -6.164 6.212 6.273 1.00 62.34 H new ATOM 0 HG23 THR A 89 -6.736 6.932 7.797 1.00 62.34 H new ATOM 1292 N TRP A 90 -4.017 8.046 4.573 1.00 34.31 N ATOM 1293 CA TRP A 90 -2.989 7.183 4.003 1.00 4.30 C ATOM 1294 C TRP A 90 -1.622 7.498 4.602 1.00 33.32 C ATOM 1295 O TRP A 90 -0.974 6.625 5.180 1.00 11.40 O ATOM 1296 CB TRP A 90 -2.942 7.347 2.482 1.00 32.22 C ATOM 1297 CG TRP A 90 -4.001 6.563 1.769 1.00 40.13 C ATOM 1298 CD1 TRP A 90 -4.979 7.059 0.955 1.00 42.23 C ATOM 1299 CD2 TRP A 90 -4.189 5.144 1.806 1.00 52.20 C ATOM 1300 NE1 TRP A 90 -5.764 6.034 0.484 1.00 11.40 N ATOM 1301 CE2 TRP A 90 -5.299 4.850 0.992 1.00 75.24 C ATOM 1302 CE3 TRP A 90 -3.527 4.094 2.448 1.00 63.04 C ATOM 1303 CZ2 TRP A 90 -5.761 3.549 0.803 1.00 3.33 C ATOM 1304 CZ3 TRP A 90 -3.986 2.804 2.260 1.00 32.00 C ATOM 1305 CH2 TRP A 90 -5.093 2.541 1.443 1.00 74.41 C ATOM 0 H TRP A 90 -4.390 8.741 3.927 1.00 34.31 H new ATOM 0 HA TRP A 90 -3.242 6.150 4.243 1.00 4.30 H new ATOM 0 HB2 TRP A 90 -3.052 8.403 2.234 1.00 32.22 H new ATOM 0 HB3 TRP A 90 -1.963 7.035 2.120 1.00 32.22 H new ATOM 0 HD1 TRP A 90 -5.115 8.103 0.716 1.00 42.23 H new ATOM 0 HE1 TRP A 90 -6.563 6.138 -0.142 1.00 11.40 H new ATOM 0 HE3 TRP A 90 -2.672 4.287 3.079 1.00 63.04 H new ATOM 0 HZ2 TRP A 90 -6.615 3.344 0.174 1.00 3.33 H new ATOM 0 HZ3 TRP A 90 -3.483 1.985 2.751 1.00 32.00 H new ATOM 0 HH2 TRP A 90 -5.426 1.522 1.316 1.00 74.41 H new ATOM 1316 N GLN A 91 -1.191 8.746 4.460 1.00 53.52 N ATOM 1317 CA GLN A 91 0.099 9.174 4.988 1.00 65.34 C ATOM 1318 C GLN A 91 0.331 8.606 6.385 1.00 44.33 C ATOM 1319 O GLN A 91 1.471 8.426 6.809 1.00 23.13 O ATOM 1320 CB GLN A 91 0.179 10.701 5.026 1.00 33.51 C ATOM 1321 CG GLN A 91 -0.011 11.354 3.666 1.00 52.32 C ATOM 1322 CD GLN A 91 1.294 11.836 3.063 1.00 21.23 C ATOM 1323 OE1 GLN A 91 1.504 11.536 1.787 1.00 32.22 O flip ATOM 1324 NE2 GLN A 91 2.105 12.472 3.738 1.00 73.32 N flip ATOM 0 H GLN A 91 -1.716 9.479 3.984 1.00 53.52 H new ATOM 0 HA GLN A 91 0.877 8.794 4.326 1.00 65.34 H new ATOM 0 HB2 GLN A 91 -0.580 11.079 5.711 1.00 33.51 H new ATOM 0 HB3 GLN A 91 1.148 10.996 5.429 1.00 33.51 H new ATOM 0 HG2 GLN A 91 -0.479 10.641 2.987 1.00 52.32 H new ATOM 0 HG3 GLN A 91 -0.695 12.197 3.764 1.00 52.32 H new ATOM 0 HE21 GLN A 91 1.903 12.680 4.716 1.00 73.32 H new ATOM 0 HE22 GLN A 91 2.979 12.790 3.319 1.00 73.32 H new ATOM 1333 N GLU A 92 -0.759 8.327 7.093 1.00 42.41 N ATOM 1334 CA GLU A 92 -0.673 7.781 8.442 1.00 4.23 C ATOM 1335 C GLU A 92 -0.175 6.338 8.415 1.00 55.31 C ATOM 1336 O GLU A 92 0.943 6.047 8.841 1.00 14.20 O ATOM 1337 CB GLU A 92 -2.036 7.848 9.132 1.00 53.31 C ATOM 1338 CG GLU A 92 -2.749 9.177 8.943 1.00 54.20 C ATOM 1339 CD GLU A 92 -2.923 9.937 10.244 1.00 72.24 C ATOM 1340 OE1 GLU A 92 -1.901 10.238 10.895 1.00 43.31 O ATOM 1341 OE2 GLU A 92 -4.080 10.229 10.611 1.00 50.11 O ATOM 0 H GLU A 92 -1.711 8.470 6.755 1.00 42.41 H new ATOM 0 HA GLU A 92 0.041 8.383 9.004 1.00 4.23 H new ATOM 0 HB2 GLU A 92 -2.668 7.048 8.747 1.00 53.31 H new ATOM 0 HB3 GLU A 92 -1.904 7.665 10.198 1.00 53.31 H new ATOM 0 HG2 GLU A 92 -2.185 9.791 8.241 1.00 54.20 H new ATOM 0 HG3 GLU A 92 -3.727 9.000 8.497 1.00 54.20 H new ATOM 1348 N VAL A 93 -1.014 5.439 7.910 1.00 4.53 N ATOM 1349 CA VAL A 93 -0.661 4.027 7.826 1.00 72.32 C ATOM 1350 C VAL A 93 0.663 3.834 7.095 1.00 2.41 C ATOM 1351 O VAL A 93 1.341 2.821 7.271 1.00 33.44 O ATOM 1352 CB VAL A 93 -1.755 3.218 7.105 1.00 25.52 C ATOM 1353 CG1 VAL A 93 -1.896 3.676 5.662 1.00 70.40 C ATOM 1354 CG2 VAL A 93 -1.447 1.729 7.173 1.00 1.21 C ATOM 0 H VAL A 93 -1.943 5.664 7.553 1.00 4.53 H new ATOM 0 HA VAL A 93 -0.564 3.663 8.849 1.00 72.32 H new ATOM 0 HB VAL A 93 -2.705 3.394 7.610 1.00 25.52 H new ATOM 0 HG11 VAL A 93 -2.674 3.092 5.169 1.00 70.40 H new ATOM 0 HG12 VAL A 93 -2.166 4.732 5.640 1.00 70.40 H new ATOM 0 HG13 VAL A 93 -0.950 3.532 5.141 1.00 70.40 H new ATOM 0 HG21 VAL A 93 -2.230 1.172 6.659 1.00 1.21 H new ATOM 0 HG22 VAL A 93 -0.488 1.534 6.694 1.00 1.21 H new ATOM 0 HG23 VAL A 93 -1.402 1.414 8.216 1.00 1.21 H new ATOM 1364 N LEU A 94 1.027 4.813 6.274 1.00 12.32 N ATOM 1365 CA LEU A 94 2.272 4.752 5.516 1.00 55.54 C ATOM 1366 C LEU A 94 3.459 5.159 6.383 1.00 12.43 C ATOM 1367 O LEU A 94 4.558 4.628 6.235 1.00 2.12 O ATOM 1368 CB LEU A 94 2.189 5.660 4.288 1.00 52.23 C ATOM 1369 CG LEU A 94 2.644 5.043 2.965 1.00 41.10 C ATOM 1370 CD1 LEU A 94 4.111 4.647 3.037 1.00 0.44 C ATOM 1371 CD2 LEU A 94 1.782 3.841 2.612 1.00 32.33 C ATOM 0 H LEU A 94 0.478 5.658 6.116 1.00 12.32 H new ATOM 0 HA LEU A 94 2.420 3.722 5.191 1.00 55.54 H new ATOM 0 HB2 LEU A 94 1.157 5.992 4.175 1.00 52.23 H new ATOM 0 HB3 LEU A 94 2.791 6.549 4.477 1.00 52.23 H new ATOM 0 HG LEU A 94 2.529 5.790 2.180 1.00 41.10 H new ATOM 0 HD11 LEU A 94 4.417 4.210 2.087 1.00 0.44 H new ATOM 0 HD12 LEU A 94 4.717 5.530 3.242 1.00 0.44 H new ATOM 0 HD13 LEU A 94 4.252 3.917 3.834 1.00 0.44 H new ATOM 0 HD21 LEU A 94 2.121 3.415 1.668 1.00 32.33 H new ATOM 0 HD22 LEU A 94 1.864 3.091 3.398 1.00 32.33 H new ATOM 0 HD23 LEU A 94 0.742 4.154 2.517 1.00 32.33 H new ATOM 1383 N GLU A 95 3.226 6.104 7.289 1.00 4.03 N ATOM 1384 CA GLU A 95 4.276 6.581 8.181 1.00 2.34 C ATOM 1385 C GLU A 95 4.528 5.583 9.309 1.00 35.01 C ATOM 1386 O GLU A 95 5.545 5.650 9.997 1.00 73.42 O ATOM 1387 CB GLU A 95 3.900 7.944 8.766 1.00 4.14 C ATOM 1388 CG GLU A 95 4.013 9.085 7.770 1.00 13.10 C ATOM 1389 CD GLU A 95 5.235 9.950 8.008 1.00 72.01 C ATOM 1390 OE1 GLU A 95 5.267 10.665 9.032 1.00 75.23 O ATOM 1391 OE2 GLU A 95 6.161 9.911 7.171 1.00 54.53 O ATOM 0 H GLU A 95 2.320 6.554 7.424 1.00 4.03 H new ATOM 0 HA GLU A 95 5.192 6.684 7.599 1.00 2.34 H new ATOM 0 HB2 GLU A 95 2.877 7.900 9.141 1.00 4.14 H new ATOM 0 HB3 GLU A 95 4.544 8.153 9.620 1.00 4.14 H new ATOM 0 HG2 GLU A 95 4.052 8.678 6.760 1.00 13.10 H new ATOM 0 HG3 GLU A 95 3.118 9.704 7.829 1.00 13.10 H new ATOM 1398 N GLY A 96 3.590 4.658 9.492 1.00 12.32 N ATOM 1399 CA GLY A 96 3.726 3.660 10.538 1.00 54.33 C ATOM 1400 C GLY A 96 2.907 3.994 11.768 1.00 11.51 C ATOM 1401 O GLY A 96 2.667 3.133 12.615 1.00 0.11 O ATOM 0 H GLY A 96 2.739 4.582 8.935 1.00 12.32 H new ATOM 0 HA2 GLY A 96 3.416 2.689 10.152 1.00 54.33 H new ATOM 0 HA3 GLY A 96 4.776 3.572 10.817 1.00 54.33 H new ATOM 1405 N ARG A 97 2.477 5.247 11.869 1.00 11.43 N ATOM 1406 CA ARG A 97 1.682 5.694 13.007 1.00 22.41 C ATOM 1407 C ARG A 97 0.334 4.979 13.042 1.00 42.32 C ATOM 1408 O ARG A 97 -0.175 4.643 14.112 1.00 31.24 O ATOM 1409 CB ARG A 97 1.468 7.207 12.945 1.00 64.03 C ATOM 1410 CG ARG A 97 2.718 7.984 12.565 1.00 44.22 C ATOM 1411 CD ARG A 97 3.135 8.944 13.668 1.00 61.42 C ATOM 1412 NE ARG A 97 4.125 8.349 14.564 1.00 12.51 N ATOM 1413 CZ ARG A 97 4.378 8.807 15.785 1.00 64.14 C ATOM 1414 NH1 ARG A 97 3.718 9.856 16.254 1.00 54.25 N ATOM 1415 NH2 ARG A 97 5.293 8.212 16.540 1.00 44.10 N ATOM 0 H ARG A 97 2.666 5.971 11.176 1.00 11.43 H new ATOM 0 HA ARG A 97 2.228 5.449 13.918 1.00 22.41 H new ATOM 0 HB2 ARG A 97 0.681 7.425 12.223 1.00 64.03 H new ATOM 0 HB3 ARG A 97 1.115 7.556 13.916 1.00 64.03 H new ATOM 0 HG2 ARG A 97 3.532 7.288 12.360 1.00 44.22 H new ATOM 0 HG3 ARG A 97 2.536 8.541 11.646 1.00 44.22 H new ATOM 0 HD2 ARG A 97 3.546 9.851 13.224 1.00 61.42 H new ATOM 0 HD3 ARG A 97 2.257 9.240 14.242 1.00 61.42 H new ATOM 0 HE ARG A 97 4.650 7.539 14.234 1.00 12.51 H new ATOM 0 HH11 ARG A 97 3.013 10.315 15.677 1.00 54.25 H new ATOM 0 HH12 ARG A 97 3.915 10.205 17.192 1.00 54.25 H new ATOM 0 HH21 ARG A 97 5.802 7.403 16.183 1.00 44.10 H new ATOM 0 HH22 ARG A 97 5.488 8.563 17.478 1.00 44.10 H new ATOM 1429 N LEU A 98 -0.240 4.752 11.866 1.00 44.55 N ATOM 1430 CA LEU A 98 -1.529 4.078 11.762 1.00 53.34 C ATOM 1431 C LEU A 98 -1.350 2.621 11.349 1.00 54.04 C ATOM 1432 O LEU A 98 -0.230 2.116 11.291 1.00 4.10 O ATOM 1433 CB LEU A 98 -2.424 4.800 10.751 1.00 41.22 C ATOM 1434 CG LEU A 98 -3.448 5.773 11.336 1.00 63.10 C ATOM 1435 CD1 LEU A 98 -4.700 5.030 11.776 1.00 3.43 C ATOM 1436 CD2 LEU A 98 -2.845 6.544 12.501 1.00 11.04 C ATOM 0 H LEU A 98 0.167 5.025 10.971 1.00 44.55 H new ATOM 0 HA LEU A 98 -2.004 4.103 12.743 1.00 53.34 H new ATOM 0 HB2 LEU A 98 -1.786 5.348 10.058 1.00 41.22 H new ATOM 0 HB3 LEU A 98 -2.958 4.050 10.167 1.00 41.22 H new ATOM 0 HG LEU A 98 -3.728 6.486 10.561 1.00 63.10 H new ATOM 0 HD11 LEU A 98 -5.417 5.739 12.190 1.00 3.43 H new ATOM 0 HD12 LEU A 98 -5.143 4.524 10.918 1.00 3.43 H new ATOM 0 HD13 LEU A 98 -4.438 4.294 12.536 1.00 3.43 H new ATOM 0 HD21 LEU A 98 -3.588 7.232 12.905 1.00 11.04 H new ATOM 0 HD22 LEU A 98 -2.536 5.845 13.279 1.00 11.04 H new ATOM 0 HD23 LEU A 98 -1.979 7.108 12.155 1.00 11.04 H new ATOM 1448 N GLU A 99 -2.463 1.952 11.062 1.00 25.41 N ATOM 1449 CA GLU A 99 -2.427 0.552 10.654 1.00 0.24 C ATOM 1450 C GLU A 99 -3.337 0.312 9.453 1.00 15.12 C ATOM 1451 O GLU A 99 -4.406 0.910 9.324 1.00 55.32 O ATOM 1452 CB GLU A 99 -2.847 -0.352 11.815 1.00 54.32 C ATOM 1453 CG GLU A 99 -1.693 -0.767 12.711 1.00 71.40 C ATOM 1454 CD GLU A 99 -2.004 -2.008 13.526 1.00 53.21 C ATOM 1455 OE1 GLU A 99 -2.886 -1.933 14.407 1.00 74.41 O ATOM 1456 OE2 GLU A 99 -1.366 -3.053 13.282 1.00 30.44 O ATOM 0 H GLU A 99 -3.399 2.356 11.104 1.00 25.41 H new ATOM 0 HA GLU A 99 -1.404 0.310 10.367 1.00 0.24 H new ATOM 0 HB2 GLU A 99 -3.594 0.166 12.416 1.00 54.32 H new ATOM 0 HB3 GLU A 99 -3.324 -1.246 11.414 1.00 54.32 H new ATOM 0 HG2 GLU A 99 -0.810 -0.951 12.098 1.00 71.40 H new ATOM 0 HG3 GLU A 99 -1.448 0.054 13.385 1.00 71.40 H new ATOM 1463 N PRO A 100 -2.905 -0.583 8.553 1.00 34.01 N ATOM 1464 CA PRO A 100 -3.667 -0.923 7.346 1.00 4.42 C ATOM 1465 C PRO A 100 -4.935 -1.707 7.663 1.00 61.21 C ATOM 1466 O PRO A 100 -6.018 -1.381 7.174 1.00 2.44 O ATOM 1467 CB PRO A 100 -2.690 -1.785 6.543 1.00 24.54 C ATOM 1468 CG PRO A 100 -1.773 -2.369 7.562 1.00 33.43 C ATOM 1469 CD PRO A 100 -1.642 -1.333 8.643 1.00 43.44 C ATOM 0 HA PRO A 100 -4.009 -0.035 6.815 1.00 4.42 H new ATOM 0 HB2 PRO A 100 -3.213 -2.564 5.989 1.00 24.54 H new ATOM 0 HB3 PRO A 100 -2.142 -1.188 5.814 1.00 24.54 H new ATOM 0 HG2 PRO A 100 -2.175 -3.300 7.961 1.00 33.43 H new ATOM 0 HG3 PRO A 100 -0.802 -2.602 7.125 1.00 33.43 H new ATOM 0 HD2 PRO A 100 -1.516 -1.790 9.624 1.00 43.44 H new ATOM 0 HD3 PRO A 100 -0.779 -0.688 8.478 1.00 43.44 H new ATOM 1477 N LEU A 101 -4.795 -2.743 8.483 1.00 51.21 N ATOM 1478 CA LEU A 101 -5.931 -3.574 8.866 1.00 61.45 C ATOM 1479 C LEU A 101 -6.795 -2.871 9.907 1.00 23.23 C ATOM 1480 O LEU A 101 -8.015 -3.031 9.929 1.00 60.41 O ATOM 1481 CB LEU A 101 -5.444 -4.918 9.412 1.00 43.33 C ATOM 1482 CG LEU A 101 -5.437 -6.082 8.421 1.00 43.03 C ATOM 1483 CD1 LEU A 101 -6.696 -6.921 8.572 1.00 12.54 C ATOM 1484 CD2 LEU A 101 -5.304 -5.568 6.995 1.00 62.42 C ATOM 0 H LEU A 101 -3.906 -3.027 8.895 1.00 51.21 H new ATOM 0 HA LEU A 101 -6.538 -3.748 7.977 1.00 61.45 H new ATOM 0 HB2 LEU A 101 -4.432 -4.787 9.795 1.00 43.33 H new ATOM 0 HB3 LEU A 101 -6.072 -5.192 10.260 1.00 43.33 H new ATOM 0 HG LEU A 101 -4.576 -6.714 8.640 1.00 43.03 H new ATOM 0 HD11 LEU A 101 -6.672 -7.744 7.858 1.00 12.54 H new ATOM 0 HD12 LEU A 101 -6.748 -7.320 9.585 1.00 12.54 H new ATOM 0 HD13 LEU A 101 -7.572 -6.301 8.381 1.00 12.54 H new ATOM 0 HD21 LEU A 101 -5.301 -6.410 6.303 1.00 62.42 H new ATOM 0 HD22 LEU A 101 -6.144 -4.913 6.765 1.00 62.42 H new ATOM 0 HD23 LEU A 101 -4.372 -5.012 6.894 1.00 62.42 H new ATOM 1496 N SER A 102 -6.152 -2.089 10.770 1.00 32.44 N ATOM 1497 CA SER A 102 -6.861 -1.363 11.817 1.00 1.32 C ATOM 1498 C SER A 102 -7.632 -0.183 11.232 1.00 1.14 C ATOM 1499 O SER A 102 -8.780 0.066 11.600 1.00 65.24 O ATOM 1500 CB SER A 102 -5.877 -0.869 12.880 1.00 52.31 C ATOM 1501 OG SER A 102 -6.395 -1.063 14.184 1.00 71.10 O ATOM 0 H SER A 102 -5.143 -1.943 10.764 1.00 32.44 H new ATOM 0 HA SER A 102 -7.573 -2.045 12.281 1.00 1.32 H new ATOM 0 HB2 SER A 102 -4.931 -1.400 12.779 1.00 52.31 H new ATOM 0 HB3 SER A 102 -5.667 0.189 12.722 1.00 52.31 H new ATOM 0 HG SER A 102 -5.747 -0.741 14.845 1.00 71.10 H new ATOM 1507 N ALA A 103 -6.990 0.542 10.321 1.00 72.42 N ATOM 1508 CA ALA A 103 -7.615 1.693 9.684 1.00 42.42 C ATOM 1509 C ALA A 103 -8.789 1.269 8.809 1.00 33.52 C ATOM 1510 O ALA A 103 -9.857 1.882 8.844 1.00 42.44 O ATOM 1511 CB ALA A 103 -6.591 2.460 8.859 1.00 41.24 C ATOM 0 H ALA A 103 -6.038 0.352 10.008 1.00 72.42 H new ATOM 0 HA ALA A 103 -7.998 2.346 10.468 1.00 42.42 H new ATOM 0 HB1 ALA A 103 -7.072 3.318 8.388 1.00 41.24 H new ATOM 0 HB2 ALA A 103 -5.786 2.806 9.508 1.00 41.24 H new ATOM 0 HB3 ALA A 103 -6.181 1.806 8.089 1.00 41.24 H new ATOM 1517 N LEU A 104 -8.587 0.215 8.026 1.00 2.13 N ATOM 1518 CA LEU A 104 -9.630 -0.293 7.141 1.00 22.02 C ATOM 1519 C LEU A 104 -10.796 -0.860 7.945 1.00 44.12 C ATOM 1520 O LEU A 104 -11.958 -0.693 7.574 1.00 64.11 O ATOM 1521 CB LEU A 104 -9.061 -1.370 6.216 1.00 41.51 C ATOM 1522 CG LEU A 104 -9.352 -2.817 6.612 1.00 52.21 C ATOM 1523 CD1 LEU A 104 -10.744 -3.226 6.156 1.00 10.13 C ATOM 1524 CD2 LEU A 104 -8.302 -3.751 6.028 1.00 62.42 C ATOM 0 H LEU A 104 -7.710 -0.305 7.986 1.00 2.13 H new ATOM 0 HA LEU A 104 -9.998 0.537 6.538 1.00 22.02 H new ATOM 0 HB2 LEU A 104 -9.453 -1.203 5.213 1.00 41.51 H new ATOM 0 HB3 LEU A 104 -7.980 -1.240 6.161 1.00 41.51 H new ATOM 0 HG LEU A 104 -9.312 -2.891 7.699 1.00 52.21 H new ATOM 0 HD11 LEU A 104 -10.933 -4.259 6.447 1.00 10.13 H new ATOM 0 HD12 LEU A 104 -11.485 -2.576 6.622 1.00 10.13 H new ATOM 0 HD13 LEU A 104 -10.813 -3.136 5.072 1.00 10.13 H new ATOM 0 HD21 LEU A 104 -8.525 -4.777 6.320 1.00 62.42 H new ATOM 0 HD22 LEU A 104 -8.310 -3.673 4.941 1.00 62.42 H new ATOM 0 HD23 LEU A 104 -7.318 -3.472 6.404 1.00 62.42 H new ATOM 1536 N MET A 105 -10.478 -1.530 9.047 1.00 12.12 N ATOM 1537 CA MET A 105 -11.500 -2.119 9.905 1.00 73.23 C ATOM 1538 C MET A 105 -12.161 -1.054 10.774 1.00 43.12 C ATOM 1539 O MET A 105 -13.326 -1.181 11.148 1.00 12.43 O ATOM 1540 CB MET A 105 -10.889 -3.209 10.788 1.00 63.44 C ATOM 1541 CG MET A 105 -10.735 -4.547 10.083 1.00 13.14 C ATOM 1542 SD MET A 105 -11.472 -5.908 11.009 1.00 44.12 S ATOM 1543 CE MET A 105 -12.863 -6.318 9.959 1.00 65.14 C ATOM 0 H MET A 105 -9.521 -1.679 9.367 1.00 12.12 H new ATOM 0 HA MET A 105 -12.262 -2.565 9.266 1.00 73.23 H new ATOM 0 HB2 MET A 105 -9.911 -2.877 11.137 1.00 63.44 H new ATOM 0 HB3 MET A 105 -11.514 -3.343 11.671 1.00 63.44 H new ATOM 0 HG2 MET A 105 -11.198 -4.490 9.098 1.00 13.14 H new ATOM 0 HG3 MET A 105 -9.676 -4.751 9.926 1.00 13.14 H new ATOM 0 HE1 MET A 105 -13.419 -7.146 10.399 1.00 65.14 H new ATOM 0 HE2 MET A 105 -13.516 -5.451 9.865 1.00 65.14 H new ATOM 0 HE3 MET A 105 -12.501 -6.608 8.972 1.00 65.14 H new ATOM 1553 N ARG A 106 -11.407 -0.006 11.091 1.00 14.34 N ATOM 1554 CA ARG A 106 -11.921 1.080 11.918 1.00 24.24 C ATOM 1555 C ARG A 106 -12.979 1.882 11.168 1.00 53.45 C ATOM 1556 O ARG A 106 -13.831 2.528 11.776 1.00 45.35 O ATOM 1557 CB ARG A 106 -10.779 2.001 12.352 1.00 45.00 C ATOM 1558 CG ARG A 106 -10.189 1.644 13.707 1.00 71.15 C ATOM 1559 CD ARG A 106 -9.479 2.833 14.336 1.00 75.00 C ATOM 1560 NE ARG A 106 -9.074 2.563 15.713 1.00 32.41 N ATOM 1561 CZ ARG A 106 -8.132 3.248 16.349 1.00 23.24 C ATOM 1562 NH1 ARG A 106 -7.500 4.240 15.736 1.00 22.25 N ATOM 1563 NH2 ARG A 106 -7.818 2.941 17.602 1.00 51.32 N ATOM 0 H ARG A 106 -10.440 0.114 10.789 1.00 14.34 H new ATOM 0 HA ARG A 106 -12.383 0.642 12.803 1.00 24.24 H new ATOM 0 HB2 ARG A 106 -9.990 1.966 11.601 1.00 45.00 H new ATOM 0 HB3 ARG A 106 -11.144 3.028 12.383 1.00 45.00 H new ATOM 0 HG2 ARG A 106 -10.982 1.299 14.371 1.00 71.15 H new ATOM 0 HG3 ARG A 106 -9.487 0.818 13.593 1.00 71.15 H new ATOM 0 HD2 ARG A 106 -8.600 3.086 13.743 1.00 75.00 H new ATOM 0 HD3 ARG A 106 -10.138 3.701 14.316 1.00 75.00 H new ATOM 0 HE ARG A 106 -9.541 1.806 16.213 1.00 32.41 H new ATOM 0 HH11 ARG A 106 -7.738 4.478 14.773 1.00 22.25 H new ATOM 0 HH12 ARG A 106 -6.776 4.765 16.228 1.00 22.25 H new ATOM 0 HH21 ARG A 106 -8.301 2.178 18.077 1.00 51.32 H new ATOM 0 HH22 ARG A 106 -7.094 3.468 18.090 1.00 51.32 H new ATOM 1577 N GLY A 107 -12.918 1.836 9.840 1.00 30.21 N ATOM 1578 CA GLY A 107 -13.876 2.563 9.027 1.00 2.23 C ATOM 1579 C GLY A 107 -13.248 3.738 8.304 1.00 74.44 C ATOM 1580 O GLY A 107 -13.952 4.627 7.822 1.00 1.20 O ATOM 0 H GLY A 107 -12.222 1.308 9.313 1.00 30.21 H new ATOM 0 HA2 GLY A 107 -14.317 1.885 8.297 1.00 2.23 H new ATOM 0 HA3 GLY A 107 -14.688 2.921 9.660 1.00 2.23 H new ATOM 1584 N LEU A 108 -11.923 3.743 8.226 1.00 22.12 N ATOM 1585 CA LEU A 108 -11.200 4.818 7.556 1.00 4.21 C ATOM 1586 C LEU A 108 -11.042 4.524 6.068 1.00 15.30 C ATOM 1587 O LEU A 108 -11.362 5.361 5.222 1.00 70.03 O ATOM 1588 CB LEU A 108 -9.824 5.011 8.198 1.00 50.31 C ATOM 1589 CG LEU A 108 -9.812 5.203 9.714 1.00 15.33 C ATOM 1590 CD1 LEU A 108 -8.385 5.214 10.240 1.00 5.00 C ATOM 1591 CD2 LEU A 108 -10.532 6.489 10.095 1.00 13.51 C ATOM 0 H LEU A 108 -11.327 3.015 8.618 1.00 22.12 H new ATOM 0 HA LEU A 108 -11.778 5.735 7.667 1.00 4.21 H new ATOM 0 HB2 LEU A 108 -9.208 4.145 7.957 1.00 50.31 H new ATOM 0 HB3 LEU A 108 -9.349 5.878 7.738 1.00 50.31 H new ATOM 0 HG LEU A 108 -10.339 4.365 10.171 1.00 15.33 H new ATOM 0 HD11 LEU A 108 -8.397 5.352 11.321 1.00 5.00 H new ATOM 0 HD12 LEU A 108 -7.901 4.267 10.000 1.00 5.00 H new ATOM 0 HD13 LEU A 108 -7.833 6.031 9.776 1.00 5.00 H new ATOM 0 HD21 LEU A 108 -10.513 6.609 11.178 1.00 13.51 H new ATOM 0 HD22 LEU A 108 -10.033 7.338 9.627 1.00 13.51 H new ATOM 0 HD23 LEU A 108 -11.566 6.442 9.753 1.00 13.51 H new ATOM 1603 N LEU A 109 -10.550 3.332 5.755 1.00 63.51 N ATOM 1604 CA LEU A 109 -10.352 2.926 4.367 1.00 32.42 C ATOM 1605 C LEU A 109 -11.619 2.292 3.799 1.00 24.00 C ATOM 1606 O LEU A 109 -12.648 2.234 4.470 1.00 52.32 O ATOM 1607 CB LEU A 109 -9.186 1.941 4.264 1.00 20.22 C ATOM 1608 CG LEU A 109 -7.916 2.322 5.028 1.00 54.20 C ATOM 1609 CD1 LEU A 109 -6.963 1.140 5.102 1.00 62.05 C ATOM 1610 CD2 LEU A 109 -7.238 3.517 4.373 1.00 73.22 C ATOM 0 H LEU A 109 -10.280 2.629 6.443 1.00 63.51 H new ATOM 0 HA LEU A 109 -10.120 3.817 3.784 1.00 32.42 H new ATOM 0 HB2 LEU A 109 -9.525 0.969 4.623 1.00 20.22 H new ATOM 0 HB3 LEU A 109 -8.930 1.820 3.211 1.00 20.22 H new ATOM 0 HG LEU A 109 -8.196 2.600 6.044 1.00 54.20 H new ATOM 0 HD11 LEU A 109 -6.066 1.430 5.649 1.00 62.05 H new ATOM 0 HD12 LEU A 109 -7.450 0.312 5.617 1.00 62.05 H new ATOM 0 HD13 LEU A 109 -6.689 0.830 4.094 1.00 62.05 H new ATOM 0 HD21 LEU A 109 -6.337 3.774 4.929 1.00 73.22 H new ATOM 0 HD22 LEU A 109 -6.971 3.266 3.346 1.00 73.22 H new ATOM 0 HD23 LEU A 109 -7.920 4.368 4.374 1.00 73.22 H new ATOM 1622 N GLU A 110 -11.532 1.817 2.561 1.00 23.23 N ATOM 1623 CA GLU A 110 -12.671 1.186 1.905 1.00 22.21 C ATOM 1624 C GLU A 110 -12.222 0.381 0.689 1.00 65.05 C ATOM 1625 O GLU A 110 -11.788 0.945 -0.317 1.00 42.10 O ATOM 1626 CB GLU A 110 -13.693 2.243 1.481 1.00 22.11 C ATOM 1627 CG GLU A 110 -15.130 1.752 1.524 1.00 21.34 C ATOM 1628 CD GLU A 110 -15.866 1.981 0.219 1.00 43.54 C ATOM 1629 OE1 GLU A 110 -15.303 1.646 -0.845 1.00 3.50 O ATOM 1630 OE2 GLU A 110 -17.002 2.497 0.260 1.00 32.20 O ATOM 0 H GLU A 110 -10.686 1.857 1.993 1.00 23.23 H new ATOM 0 HA GLU A 110 -13.137 0.505 2.618 1.00 22.21 H new ATOM 0 HB2 GLU A 110 -13.595 3.112 2.131 1.00 22.11 H new ATOM 0 HB3 GLU A 110 -13.461 2.575 0.469 1.00 22.11 H new ATOM 0 HG2 GLU A 110 -15.139 0.688 1.759 1.00 21.34 H new ATOM 0 HG3 GLU A 110 -15.660 2.261 2.329 1.00 21.34 H new ATOM 1637 N LEU A 111 -12.326 -0.939 0.788 1.00 72.11 N ATOM 1638 CA LEU A 111 -11.931 -1.823 -0.303 1.00 43.23 C ATOM 1639 C LEU A 111 -13.023 -1.901 -1.364 1.00 21.11 C ATOM 1640 O LEU A 111 -14.067 -2.520 -1.152 1.00 41.51 O ATOM 1641 CB LEU A 111 -11.624 -3.223 0.234 1.00 53.43 C ATOM 1642 CG LEU A 111 -11.281 -4.282 -0.813 1.00 62.23 C ATOM 1643 CD1 LEU A 111 -9.773 -4.415 -0.965 1.00 32.05 C ATOM 1644 CD2 LEU A 111 -11.902 -5.621 -0.441 1.00 3.10 C ATOM 0 H LEU A 111 -12.681 -1.422 1.614 1.00 72.11 H new ATOM 0 HA LEU A 111 -11.032 -1.412 -0.763 1.00 43.23 H new ATOM 0 HB2 LEU A 111 -10.791 -3.148 0.932 1.00 53.43 H new ATOM 0 HB3 LEU A 111 -12.487 -3.569 0.803 1.00 53.43 H new ATOM 0 HG LEU A 111 -11.695 -3.966 -1.770 1.00 62.23 H new ATOM 0 HD11 LEU A 111 -9.548 -5.174 -1.715 1.00 32.05 H new ATOM 0 HD12 LEU A 111 -9.353 -3.459 -1.279 1.00 32.05 H new ATOM 0 HD13 LEU A 111 -9.335 -4.708 -0.010 1.00 32.05 H new ATOM 0 HD21 LEU A 111 -11.647 -6.363 -1.198 1.00 3.10 H new ATOM 0 HD22 LEU A 111 -11.519 -5.944 0.527 1.00 3.10 H new ATOM 0 HD23 LEU A 111 -12.986 -5.517 -0.385 1.00 3.10 H new ATOM 1656 N LYS A 112 -12.776 -1.272 -2.508 1.00 34.01 N ATOM 1657 CA LYS A 112 -13.736 -1.272 -3.606 1.00 20.55 C ATOM 1658 C LYS A 112 -13.784 -2.636 -4.286 1.00 35.15 C ATOM 1659 O LYS A 112 -14.858 -3.204 -4.486 1.00 22.23 O ATOM 1660 CB LYS A 112 -13.374 -0.193 -4.628 1.00 5.02 C ATOM 1661 CG LYS A 112 -13.894 1.188 -4.265 1.00 22.11 C ATOM 1662 CD LYS A 112 -14.360 1.948 -5.495 1.00 11.41 C ATOM 1663 CE LYS A 112 -13.193 2.588 -6.230 1.00 44.15 C ATOM 1664 NZ LYS A 112 -13.273 4.075 -6.214 1.00 33.23 N ATOM 0 H LYS A 112 -11.918 -0.755 -2.699 1.00 34.01 H new ATOM 0 HA LYS A 112 -14.722 -1.056 -3.194 1.00 20.55 H new ATOM 0 HB2 LYS A 112 -12.290 -0.149 -4.729 1.00 5.02 H new ATOM 0 HB3 LYS A 112 -13.773 -0.478 -5.601 1.00 5.02 H new ATOM 0 HG2 LYS A 112 -14.720 1.093 -3.560 1.00 22.11 H new ATOM 0 HG3 LYS A 112 -13.109 1.753 -3.762 1.00 22.11 H new ATOM 0 HD2 LYS A 112 -14.886 1.269 -6.166 1.00 11.41 H new ATOM 0 HD3 LYS A 112 -15.072 2.719 -5.200 1.00 11.41 H new ATOM 0 HE2 LYS A 112 -12.257 2.270 -5.771 1.00 44.15 H new ATOM 0 HE3 LYS A 112 -13.177 2.237 -7.262 1.00 44.15 H new ATOM 0 HZ1 LYS A 112 -12.497 4.471 -6.782 1.00 33.23 H new ATOM 0 HZ2 LYS A 112 -14.184 4.378 -6.613 1.00 33.23 H new ATOM 0 HZ3 LYS A 112 -13.194 4.416 -5.235 1.00 33.23 H new ATOM 1678 N LYS A 113 -12.615 -3.158 -4.638 1.00 65.14 N ATOM 1679 CA LYS A 113 -12.521 -4.457 -5.294 1.00 61.32 C ATOM 1680 C LYS A 113 -12.450 -5.582 -4.266 1.00 13.13 C ATOM 1681 O LYS A 113 -12.765 -5.384 -3.093 1.00 71.23 O ATOM 1682 CB LYS A 113 -11.292 -4.505 -6.205 1.00 12.05 C ATOM 1683 CG LYS A 113 -11.628 -4.736 -7.668 1.00 13.00 C ATOM 1684 CD LYS A 113 -11.763 -3.424 -8.423 1.00 64.42 C ATOM 1685 CE LYS A 113 -13.190 -2.902 -8.382 1.00 44.31 C ATOM 1686 NZ LYS A 113 -13.254 -1.441 -8.661 1.00 45.41 N ATOM 0 H LYS A 113 -11.717 -2.701 -4.480 1.00 65.14 H new ATOM 0 HA LYS A 113 -13.418 -4.596 -5.898 1.00 61.32 H new ATOM 0 HB2 LYS A 113 -10.743 -3.568 -6.110 1.00 12.05 H new ATOM 0 HB3 LYS A 113 -10.628 -5.299 -5.864 1.00 12.05 H new ATOM 0 HG2 LYS A 113 -10.850 -5.344 -8.129 1.00 13.00 H new ATOM 0 HG3 LYS A 113 -12.559 -5.298 -7.744 1.00 13.00 H new ATOM 0 HD2 LYS A 113 -11.091 -2.683 -7.990 1.00 64.42 H new ATOM 0 HD3 LYS A 113 -11.456 -3.566 -9.459 1.00 64.42 H new ATOM 0 HE2 LYS A 113 -13.794 -3.438 -9.114 1.00 44.31 H new ATOM 0 HE3 LYS A 113 -13.623 -3.104 -7.402 1.00 44.31 H new ATOM 0 HZ1 LYS A 113 -14.244 -1.124 -8.624 1.00 45.41 H new ATOM 0 HZ2 LYS A 113 -12.698 -0.927 -7.948 1.00 45.41 H new ATOM 0 HZ3 LYS A 113 -12.865 -1.251 -9.606 1.00 45.41 H new ATOM 1700 N GLY A 114 -12.032 -6.761 -4.714 1.00 62.43 N ATOM 1701 CA GLY A 114 -11.925 -7.899 -3.819 1.00 62.15 C ATOM 1702 C GLY A 114 -13.012 -7.910 -2.763 1.00 75.20 C ATOM 1703 O GLY A 114 -14.145 -7.501 -3.021 1.00 44.53 O ATOM 0 H GLY A 114 -11.765 -6.949 -5.680 1.00 62.43 H new ATOM 0 HA2 GLY A 114 -11.977 -8.820 -4.400 1.00 62.15 H new ATOM 0 HA3 GLY A 114 -10.950 -7.884 -3.332 1.00 62.15 H new ATOM 1707 N THR A 115 -12.669 -8.382 -1.569 1.00 35.25 N ATOM 1708 CA THR A 115 -13.625 -8.447 -0.470 1.00 74.12 C ATOM 1709 C THR A 115 -12.923 -8.324 0.878 1.00 73.21 C ATOM 1710 O THR A 115 -11.897 -8.963 1.114 1.00 51.34 O ATOM 1711 CB THR A 115 -14.427 -9.763 -0.500 1.00 45.40 C ATOM 1712 OG1 THR A 115 -15.308 -9.825 0.627 1.00 62.54 O ATOM 1713 CG2 THR A 115 -13.495 -10.964 -0.490 1.00 23.35 C ATOM 0 H THR A 115 -11.737 -8.725 -1.338 1.00 35.25 H new ATOM 0 HA THR A 115 -14.310 -7.609 -0.598 1.00 74.12 H new ATOM 0 HB THR A 115 -15.013 -9.786 -1.419 1.00 45.40 H new ATOM 0 HG1 THR A 115 -15.815 -10.663 0.600 1.00 62.54 H new ATOM 0 HG21 THR A 115 -14.083 -11.881 -0.512 1.00 23.35 H new ATOM 0 HG22 THR A 115 -12.846 -10.928 -1.365 1.00 23.35 H new ATOM 0 HG23 THR A 115 -12.886 -10.945 0.414 1.00 23.35 H new ATOM 1721 N ILE A 116 -13.482 -7.502 1.758 1.00 0.23 N ATOM 1722 CA ILE A 116 -12.910 -7.297 3.083 1.00 64.31 C ATOM 1723 C ILE A 116 -12.878 -8.600 3.874 1.00 24.15 C ATOM 1724 O ILE A 116 -12.028 -8.789 4.745 1.00 54.41 O ATOM 1725 CB ILE A 116 -13.700 -6.244 3.881 1.00 15.52 C ATOM 1726 CG1 ILE A 116 -12.770 -5.491 4.835 1.00 20.23 C ATOM 1727 CG2 ILE A 116 -14.834 -6.904 4.650 1.00 54.41 C ATOM 1728 CD1 ILE A 116 -11.992 -6.399 5.762 1.00 2.14 C ATOM 0 H ILE A 116 -14.331 -6.966 1.578 1.00 0.23 H new ATOM 0 HA ILE A 116 -11.891 -6.939 2.935 1.00 64.31 H new ATOM 0 HB ILE A 116 -14.130 -5.527 3.182 1.00 15.52 H new ATOM 0 HG12 ILE A 116 -12.069 -4.895 4.251 1.00 20.23 H new ATOM 0 HG13 ILE A 116 -13.360 -4.796 5.432 1.00 20.23 H new ATOM 0 HG21 ILE A 116 -15.383 -6.147 5.209 1.00 54.41 H new ATOM 0 HG22 ILE A 116 -15.508 -7.399 3.951 1.00 54.41 H new ATOM 0 HG23 ILE A 116 -14.424 -7.640 5.342 1.00 54.41 H new ATOM 0 HD11 ILE A 116 -11.354 -5.798 6.409 1.00 2.14 H new ATOM 0 HD12 ILE A 116 -12.686 -6.977 6.372 1.00 2.14 H new ATOM 0 HD13 ILE A 116 -11.375 -7.078 5.173 1.00 2.14 H new ATOM 1740 N ALA A 117 -13.808 -9.498 3.565 1.00 53.41 N ATOM 1741 CA ALA A 117 -13.884 -10.784 4.245 1.00 40.11 C ATOM 1742 C ALA A 117 -12.714 -11.681 3.855 1.00 72.25 C ATOM 1743 O ALA A 117 -12.466 -12.706 4.490 1.00 15.54 O ATOM 1744 CB ALA A 117 -15.206 -11.470 3.931 1.00 51.33 C ATOM 0 H ALA A 117 -14.519 -9.358 2.848 1.00 53.41 H new ATOM 0 HA ALA A 117 -13.827 -10.604 5.318 1.00 40.11 H new ATOM 0 HB1 ALA A 117 -15.249 -12.430 4.446 1.00 51.33 H new ATOM 0 HB2 ALA A 117 -16.031 -10.841 4.266 1.00 51.33 H new ATOM 0 HB3 ALA A 117 -15.286 -11.631 2.856 1.00 51.33 H new ATOM 1750 N ALA A 118 -12.000 -11.290 2.805 1.00 61.23 N ATOM 1751 CA ALA A 118 -10.856 -12.059 2.330 1.00 0.44 C ATOM 1752 C ALA A 118 -9.599 -11.719 3.125 1.00 33.31 C ATOM 1753 O ALA A 118 -8.658 -12.512 3.186 1.00 52.02 O ATOM 1754 CB ALA A 118 -10.629 -11.807 0.847 1.00 43.42 C ATOM 0 H ALA A 118 -12.193 -10.445 2.267 1.00 61.23 H new ATOM 0 HA ALA A 118 -11.074 -13.117 2.478 1.00 0.44 H new ATOM 0 HB1 ALA A 118 -9.772 -12.388 0.506 1.00 43.42 H new ATOM 0 HB2 ALA A 118 -11.515 -12.106 0.287 1.00 43.42 H new ATOM 0 HB3 ALA A 118 -10.437 -10.747 0.683 1.00 43.42 H new ATOM 1760 N LEU A 119 -9.590 -10.538 3.732 1.00 71.34 N ATOM 1761 CA LEU A 119 -8.448 -10.093 4.524 1.00 45.14 C ATOM 1762 C LEU A 119 -8.446 -10.757 5.897 1.00 45.10 C ATOM 1763 O LEU A 119 -7.456 -10.693 6.626 1.00 40.24 O ATOM 1764 CB LEU A 119 -8.471 -8.572 4.679 1.00 54.12 C ATOM 1765 CG LEU A 119 -8.938 -7.779 3.458 1.00 53.21 C ATOM 1766 CD1 LEU A 119 -8.823 -6.285 3.715 1.00 54.23 C ATOM 1767 CD2 LEU A 119 -8.134 -8.173 2.227 1.00 34.42 C ATOM 0 H LEU A 119 -10.360 -9.871 3.691 1.00 71.34 H new ATOM 0 HA LEU A 119 -7.538 -10.384 4.000 1.00 45.14 H new ATOM 0 HB2 LEU A 119 -9.119 -8.322 5.519 1.00 54.12 H new ATOM 0 HB3 LEU A 119 -7.467 -8.239 4.941 1.00 54.12 H new ATOM 0 HG LEU A 119 -9.986 -8.016 3.275 1.00 53.21 H new ATOM 0 HD11 LEU A 119 -9.160 -5.737 2.835 1.00 54.23 H new ATOM 0 HD12 LEU A 119 -9.442 -6.014 4.570 1.00 54.23 H new ATOM 0 HD13 LEU A 119 -7.784 -6.031 3.925 1.00 54.23 H new ATOM 0 HD21 LEU A 119 -8.480 -7.599 1.367 1.00 34.42 H new ATOM 0 HD22 LEU A 119 -7.078 -7.966 2.401 1.00 34.42 H new ATOM 0 HD23 LEU A 119 -8.268 -9.237 2.030 1.00 34.42 H new ATOM 1779 N ALA A 120 -9.559 -11.395 6.241 1.00 4.22 N ATOM 1780 CA ALA A 120 -9.683 -12.074 7.525 1.00 33.23 C ATOM 1781 C ALA A 120 -8.386 -12.784 7.899 1.00 41.32 C ATOM 1782 O ALA A 120 -7.754 -12.480 8.911 1.00 40.45 O ATOM 1783 CB ALA A 120 -10.838 -13.065 7.488 1.00 22.14 C ATOM 0 H ALA A 120 -10.388 -11.456 5.649 1.00 4.22 H new ATOM 0 HA ALA A 120 -9.887 -11.322 8.287 1.00 33.23 H new ATOM 0 HB1 ALA A 120 -10.919 -13.565 8.453 1.00 22.14 H new ATOM 0 HB2 ALA A 120 -11.766 -12.534 7.275 1.00 22.14 H new ATOM 0 HB3 ALA A 120 -10.657 -13.806 6.710 1.00 22.14 H new ATOM 1789 N PRO A 121 -7.979 -13.753 7.066 1.00 54.55 N ATOM 1790 CA PRO A 121 -6.755 -14.526 7.289 1.00 45.54 C ATOM 1791 C PRO A 121 -5.496 -13.689 7.086 1.00 11.24 C ATOM 1792 O PRO A 121 -4.540 -13.791 7.856 1.00 21.35 O ATOM 1793 CB PRO A 121 -6.836 -15.632 6.234 1.00 42.12 C ATOM 1794 CG PRO A 121 -7.690 -15.064 5.155 1.00 53.22 C ATOM 1795 CD PRO A 121 -8.685 -14.168 5.841 1.00 3.14 C ATOM 0 HA PRO A 121 -6.689 -14.897 8.312 1.00 45.54 H new ATOM 0 HB2 PRO A 121 -5.847 -15.895 5.859 1.00 42.12 H new ATOM 0 HB3 PRO A 121 -7.272 -16.542 6.647 1.00 42.12 H new ATOM 0 HG2 PRO A 121 -7.091 -14.504 4.437 1.00 53.22 H new ATOM 0 HG3 PRO A 121 -8.195 -15.855 4.600 1.00 53.22 H new ATOM 0 HD2 PRO A 121 -8.951 -13.312 5.220 1.00 3.14 H new ATOM 0 HD3 PRO A 121 -9.611 -14.696 6.070 1.00 3.14 H new ATOM 1803 N TYR A 122 -5.503 -12.860 6.048 1.00 24.52 N ATOM 1804 CA TYR A 122 -4.360 -12.007 5.744 1.00 13.42 C ATOM 1805 C TYR A 122 -4.386 -10.739 6.593 1.00 34.14 C ATOM 1806 O TYR A 122 -4.201 -9.635 6.084 1.00 3.41 O ATOM 1807 CB TYR A 122 -4.352 -11.639 4.259 1.00 33.25 C ATOM 1808 CG TYR A 122 -4.831 -12.754 3.358 1.00 61.43 C ATOM 1809 CD1 TYR A 122 -4.153 -13.966 3.298 1.00 33.35 C ATOM 1810 CD2 TYR A 122 -5.960 -12.595 2.563 1.00 60.35 C ATOM 1811 CE1 TYR A 122 -4.587 -14.988 2.476 1.00 52.33 C ATOM 1812 CE2 TYR A 122 -6.401 -13.612 1.738 1.00 50.14 C ATOM 1813 CZ TYR A 122 -5.712 -14.805 1.697 1.00 25.42 C ATOM 1814 OH TYR A 122 -6.147 -15.820 0.876 1.00 51.21 O ATOM 0 H TYR A 122 -6.287 -12.761 5.403 1.00 24.52 H new ATOM 0 HA TYR A 122 -3.452 -12.562 5.979 1.00 13.42 H new ATOM 0 HB2 TYR A 122 -4.983 -10.763 4.107 1.00 33.25 H new ATOM 0 HB3 TYR A 122 -3.340 -11.357 3.968 1.00 33.25 H new ATOM 0 HD1 TYR A 122 -3.271 -14.111 3.905 1.00 33.35 H new ATOM 0 HD2 TYR A 122 -6.502 -11.661 2.591 1.00 60.35 H new ATOM 0 HE1 TYR A 122 -4.050 -15.924 2.443 1.00 52.33 H new ATOM 0 HE2 TYR A 122 -7.281 -13.473 1.128 1.00 50.14 H new ATOM 0 HH TYR A 122 -6.951 -15.531 0.396 1.00 51.21 H new ATOM 1824 N ALA A 123 -4.618 -10.908 7.890 1.00 22.35 N ATOM 1825 CA ALA A 123 -4.665 -9.780 8.812 1.00 73.30 C ATOM 1826 C ALA A 123 -3.275 -9.442 9.339 1.00 21.33 C ATOM 1827 O ALA A 123 -2.929 -8.272 9.498 1.00 75.23 O ATOM 1828 CB ALA A 123 -5.611 -10.081 9.965 1.00 1.43 C ATOM 0 H ALA A 123 -4.777 -11.816 8.327 1.00 22.35 H new ATOM 0 HA ALA A 123 -5.038 -8.913 8.267 1.00 73.30 H new ATOM 0 HB1 ALA A 123 -5.637 -9.230 10.646 1.00 1.43 H new ATOM 0 HB2 ALA A 123 -6.612 -10.264 9.576 1.00 1.43 H new ATOM 0 HB3 ALA A 123 -5.263 -10.964 10.500 1.00 1.43 H new ATOM 1834 N GLN A 124 -2.483 -10.475 9.609 1.00 41.32 N ATOM 1835 CA GLN A 124 -1.130 -10.286 10.120 1.00 10.41 C ATOM 1836 C GLN A 124 -0.173 -9.901 8.997 1.00 42.21 C ATOM 1837 O GLN A 124 0.728 -9.084 9.189 1.00 62.52 O ATOM 1838 CB GLN A 124 -0.640 -11.561 10.809 1.00 52.53 C ATOM 1839 CG GLN A 124 -1.071 -11.671 12.262 1.00 5.40 C ATOM 1840 CD GLN A 124 -1.413 -13.092 12.663 1.00 14.21 C ATOM 1841 OE1 GLN A 124 -1.158 -14.038 11.917 1.00 32.43 O ATOM 1842 NE2 GLN A 124 -1.994 -13.250 13.847 1.00 4.23 N ATOM 0 H GLN A 124 -2.754 -11.450 9.483 1.00 41.32 H new ATOM 0 HA GLN A 124 -1.153 -9.474 10.847 1.00 10.41 H new ATOM 0 HB2 GLN A 124 -1.013 -12.426 10.261 1.00 52.53 H new ATOM 0 HB3 GLN A 124 0.448 -11.597 10.758 1.00 52.53 H new ATOM 0 HG2 GLN A 124 -0.272 -11.299 12.903 1.00 5.40 H new ATOM 0 HG3 GLN A 124 -1.938 -11.032 12.429 1.00 5.40 H new ATOM 0 HE21 GLN A 124 -2.187 -12.438 14.433 1.00 4.23 H new ATOM 0 HE22 GLN A 124 -2.247 -14.184 14.170 1.00 4.23 H new ATOM 1851 N ALA A 125 -0.375 -10.493 7.824 1.00 25.43 N ATOM 1852 CA ALA A 125 0.469 -10.211 6.670 1.00 5.32 C ATOM 1853 C ALA A 125 0.688 -8.711 6.504 1.00 3.35 C ATOM 1854 O ALA A 125 1.742 -8.274 6.043 1.00 65.24 O ATOM 1855 CB ALA A 125 -0.146 -10.798 5.410 1.00 70.35 C ATOM 0 H ALA A 125 -1.116 -11.171 7.648 1.00 25.43 H new ATOM 0 HA ALA A 125 1.440 -10.678 6.839 1.00 5.32 H new ATOM 0 HB1 ALA A 125 0.495 -10.579 4.556 1.00 70.35 H new ATOM 0 HB2 ALA A 125 -0.245 -11.878 5.522 1.00 70.35 H new ATOM 0 HB3 ALA A 125 -1.130 -10.358 5.247 1.00 70.35 H new ATOM 1861 N ALA A 126 -0.315 -7.925 6.883 1.00 32.42 N ATOM 1862 CA ALA A 126 -0.232 -6.474 6.778 1.00 63.14 C ATOM 1863 C ALA A 126 0.946 -5.932 7.580 1.00 10.40 C ATOM 1864 O ALA A 126 1.770 -5.181 7.059 1.00 41.01 O ATOM 1865 CB ALA A 126 -1.530 -5.835 7.246 1.00 1.40 C ATOM 0 H ALA A 126 -1.195 -8.270 7.266 1.00 32.42 H new ATOM 0 HA ALA A 126 -0.072 -6.219 5.730 1.00 63.14 H new ATOM 0 HB1 ALA A 126 -1.453 -4.751 7.162 1.00 1.40 H new ATOM 0 HB2 ALA A 126 -2.354 -6.189 6.627 1.00 1.40 H new ATOM 0 HB3 ALA A 126 -1.715 -6.106 8.285 1.00 1.40 H new ATOM 1871 N GLN A 127 1.018 -6.317 8.850 1.00 22.44 N ATOM 1872 CA GLN A 127 2.095 -5.868 9.725 1.00 3.41 C ATOM 1873 C GLN A 127 3.444 -5.962 9.019 1.00 41.24 C ATOM 1874 O GLN A 127 4.395 -5.272 9.385 1.00 74.00 O ATOM 1875 CB GLN A 127 2.119 -6.700 11.008 1.00 64.11 C ATOM 1876 CG GLN A 127 1.544 -5.974 12.214 1.00 61.14 C ATOM 1877 CD GLN A 127 2.618 -5.447 13.144 1.00 22.22 C ATOM 1878 OE1 GLN A 127 3.237 -6.206 13.891 1.00 21.11 O ATOM 1879 NE2 GLN A 127 2.846 -4.139 13.106 1.00 60.22 N ATOM 0 H GLN A 127 0.344 -6.939 9.296 1.00 22.44 H new ATOM 0 HA GLN A 127 1.910 -4.825 9.981 1.00 3.41 H new ATOM 0 HB2 GLN A 127 1.557 -7.620 10.846 1.00 64.11 H new ATOM 0 HB3 GLN A 127 3.147 -6.989 11.225 1.00 64.11 H new ATOM 0 HG2 GLN A 127 0.925 -5.144 11.873 1.00 61.14 H new ATOM 0 HG3 GLN A 127 0.892 -6.652 12.765 1.00 61.14 H new ATOM 0 HE21 GLN A 127 2.310 -3.546 12.472 1.00 60.22 H new ATOM 0 HE22 GLN A 127 3.557 -3.727 13.711 1.00 60.22 H new ATOM 1888 N GLU A 128 3.519 -6.819 8.006 1.00 71.33 N ATOM 1889 CA GLU A 128 4.752 -7.002 7.251 1.00 61.25 C ATOM 1890 C GLU A 128 4.829 -6.017 6.087 1.00 23.44 C ATOM 1891 O GLU A 128 5.721 -5.169 6.037 1.00 71.00 O ATOM 1892 CB GLU A 128 4.846 -8.437 6.725 1.00 3.52 C ATOM 1893 CG GLU A 128 4.907 -9.485 7.825 1.00 42.34 C ATOM 1894 CD GLU A 128 5.991 -9.198 8.844 1.00 24.44 C ATOM 1895 OE1 GLU A 128 7.147 -9.612 8.612 1.00 22.15 O ATOM 1896 OE2 GLU A 128 5.685 -8.561 9.874 1.00 43.51 O ATOM 0 H GLU A 128 2.741 -7.397 7.690 1.00 71.33 H new ATOM 0 HA GLU A 128 5.590 -6.812 7.922 1.00 61.25 H new ATOM 0 HB2 GLU A 128 3.984 -8.639 6.089 1.00 3.52 H new ATOM 0 HB3 GLU A 128 5.733 -8.528 6.098 1.00 3.52 H new ATOM 0 HG2 GLU A 128 3.942 -9.533 8.330 1.00 42.34 H new ATOM 0 HG3 GLU A 128 5.082 -10.464 7.379 1.00 42.34 H new ATOM 1903 N LEU A 129 3.891 -6.137 5.156 1.00 63.43 N ATOM 1904 CA LEU A 129 3.852 -5.258 3.992 1.00 64.11 C ATOM 1905 C LEU A 129 4.183 -3.821 4.384 1.00 73.41 C ATOM 1906 O LEU A 129 5.042 -3.183 3.776 1.00 22.22 O ATOM 1907 CB LEU A 129 2.473 -5.315 3.332 1.00 43.42 C ATOM 1908 CG LEU A 129 2.257 -6.445 2.325 1.00 41.14 C ATOM 1909 CD1 LEU A 129 0.848 -7.004 2.444 1.00 44.15 C ATOM 1910 CD2 LEU A 129 2.520 -5.954 0.908 1.00 12.54 C ATOM 0 H LEU A 129 3.147 -6.834 5.183 1.00 63.43 H new ATOM 0 HA LEU A 129 4.603 -5.603 3.281 1.00 64.11 H new ATOM 0 HB2 LEU A 129 1.721 -5.405 4.116 1.00 43.42 H new ATOM 0 HB3 LEU A 129 2.295 -4.366 2.827 1.00 43.42 H new ATOM 0 HG LEU A 129 2.963 -7.245 2.548 1.00 41.14 H new ATOM 0 HD11 LEU A 129 0.713 -7.807 1.720 1.00 44.15 H new ATOM 0 HD12 LEU A 129 0.695 -7.394 3.450 1.00 44.15 H new ATOM 0 HD13 LEU A 129 0.125 -6.213 2.247 1.00 44.15 H new ATOM 0 HD21 LEU A 129 2.362 -6.771 0.204 1.00 12.54 H new ATOM 0 HD22 LEU A 129 1.838 -5.136 0.674 1.00 12.54 H new ATOM 0 HD23 LEU A 129 3.549 -5.602 0.830 1.00 12.54 H new ATOM 1922 N VAL A 130 3.494 -3.318 5.404 1.00 24.31 N ATOM 1923 CA VAL A 130 3.717 -1.958 5.880 1.00 31.33 C ATOM 1924 C VAL A 130 5.133 -1.790 6.421 1.00 54.33 C ATOM 1925 O VAL A 130 5.797 -0.788 6.153 1.00 63.53 O ATOM 1926 CB VAL A 130 2.710 -1.577 6.981 1.00 32.12 C ATOM 1927 CG1 VAL A 130 3.131 -2.169 8.317 1.00 13.04 C ATOM 1928 CG2 VAL A 130 2.573 -0.065 7.077 1.00 44.10 C ATOM 0 H VAL A 130 2.777 -3.832 5.916 1.00 24.31 H new ATOM 0 HA VAL A 130 3.577 -1.296 5.025 1.00 31.33 H new ATOM 0 HB VAL A 130 1.736 -1.991 6.718 1.00 32.12 H new ATOM 0 HG11 VAL A 130 2.408 -1.889 9.083 1.00 13.04 H new ATOM 0 HG12 VAL A 130 3.173 -3.255 8.237 1.00 13.04 H new ATOM 0 HG13 VAL A 130 4.115 -1.787 8.590 1.00 13.04 H new ATOM 0 HG21 VAL A 130 1.858 0.187 7.860 1.00 44.10 H new ATOM 0 HG22 VAL A 130 3.542 0.374 7.316 1.00 44.10 H new ATOM 0 HG23 VAL A 130 2.221 0.330 6.124 1.00 44.10 H new ATOM 1938 N LYS A 131 5.590 -2.777 7.183 1.00 20.03 N ATOM 1939 CA LYS A 131 6.928 -2.741 7.762 1.00 5.14 C ATOM 1940 C LYS A 131 7.956 -2.294 6.727 1.00 11.11 C ATOM 1941 O LYS A 131 8.693 -1.331 6.945 1.00 62.34 O ATOM 1942 CB LYS A 131 7.306 -4.118 8.310 1.00 10.22 C ATOM 1943 CG LYS A 131 8.035 -4.063 9.641 1.00 3.14 C ATOM 1944 CD LYS A 131 7.188 -4.635 10.766 1.00 43.24 C ATOM 1945 CE LYS A 131 8.043 -5.037 11.958 1.00 21.12 C ATOM 1946 NZ LYS A 131 7.632 -6.356 12.515 1.00 62.13 N ATOM 0 H LYS A 131 5.053 -3.613 7.415 1.00 20.03 H new ATOM 0 HA LYS A 131 6.924 -2.020 8.580 1.00 5.14 H new ATOM 0 HB2 LYS A 131 6.401 -4.715 8.425 1.00 10.22 H new ATOM 0 HB3 LYS A 131 7.935 -4.630 7.582 1.00 10.22 H new ATOM 0 HG2 LYS A 131 8.969 -4.620 9.568 1.00 3.14 H new ATOM 0 HG3 LYS A 131 8.297 -3.030 9.871 1.00 3.14 H new ATOM 0 HD2 LYS A 131 6.450 -3.896 11.079 1.00 43.24 H new ATOM 0 HD3 LYS A 131 6.637 -5.503 10.403 1.00 43.24 H new ATOM 0 HE2 LYS A 131 9.090 -5.080 11.656 1.00 21.12 H new ATOM 0 HE3 LYS A 131 7.966 -4.275 12.734 1.00 21.12 H new ATOM 0 HZ1 LYS A 131 8.238 -6.595 13.326 1.00 62.13 H new ATOM 0 HZ2 LYS A 131 6.641 -6.308 12.826 1.00 62.13 H new ATOM 0 HZ3 LYS A 131 7.730 -7.088 11.782 1.00 62.13 H new ATOM 1960 N VAL A 132 7.999 -2.997 5.601 1.00 71.52 N ATOM 1961 CA VAL A 132 8.935 -2.672 4.531 1.00 12.01 C ATOM 1962 C VAL A 132 8.547 -1.370 3.839 1.00 45.13 C ATOM 1963 O VAL A 132 9.405 -0.555 3.502 1.00 11.12 O ATOM 1964 CB VAL A 132 9.003 -3.798 3.482 1.00 14.50 C ATOM 1965 CG1 VAL A 132 9.912 -3.400 2.330 1.00 52.44 C ATOM 1966 CG2 VAL A 132 9.476 -5.094 4.122 1.00 70.40 C ATOM 0 H VAL A 132 7.396 -3.796 5.405 1.00 71.52 H new ATOM 0 HA VAL A 132 9.916 -2.557 4.993 1.00 12.01 H new ATOM 0 HB VAL A 132 8.002 -3.961 3.083 1.00 14.50 H new ATOM 0 HG11 VAL A 132 9.948 -4.208 1.599 1.00 52.44 H new ATOM 0 HG12 VAL A 132 9.525 -2.498 1.856 1.00 52.44 H new ATOM 0 HG13 VAL A 132 10.916 -3.208 2.708 1.00 52.44 H new ATOM 0 HG21 VAL A 132 9.518 -5.879 3.367 1.00 70.40 H new ATOM 0 HG22 VAL A 132 10.468 -4.948 4.549 1.00 70.40 H new ATOM 0 HG23 VAL A 132 8.781 -5.386 4.910 1.00 70.40 H new ATOM 1976 N ALA A 133 7.248 -1.181 3.631 1.00 61.34 N ATOM 1977 CA ALA A 133 6.746 0.023 2.981 1.00 62.33 C ATOM 1978 C ALA A 133 7.441 1.268 3.520 1.00 13.22 C ATOM 1979 O ALA A 133 7.832 2.152 2.757 1.00 72.31 O ATOM 1980 CB ALA A 133 5.240 0.133 3.168 1.00 51.53 C ATOM 0 H ALA A 133 6.524 -1.846 3.903 1.00 61.34 H new ATOM 0 HA ALA A 133 6.965 -0.050 1.916 1.00 62.33 H new ATOM 0 HB1 ALA A 133 4.878 1.037 2.678 1.00 51.53 H new ATOM 0 HB2 ALA A 133 4.754 -0.738 2.728 1.00 51.53 H new ATOM 0 HB3 ALA A 133 5.008 0.179 4.232 1.00 51.53 H new ATOM 1986 N ARG A 134 7.591 1.332 4.839 1.00 22.41 N ATOM 1987 CA ARG A 134 8.238 2.471 5.480 1.00 60.21 C ATOM 1988 C ARG A 134 9.708 2.558 5.080 1.00 74.21 C ATOM 1989 O ARG A 134 10.200 3.625 4.718 1.00 14.52 O ATOM 1990 CB ARG A 134 8.117 2.363 7.001 1.00 42.21 C ATOM 1991 CG ARG A 134 6.688 2.468 7.508 1.00 43.41 C ATOM 1992 CD ARG A 134 6.624 2.342 9.023 1.00 72.34 C ATOM 1993 NE ARG A 134 7.242 3.481 9.694 1.00 24.05 N ATOM 1994 CZ ARG A 134 8.544 3.568 9.945 1.00 71.12 C ATOM 1995 NH1 ARG A 134 9.359 2.588 9.582 1.00 4.01 N ATOM 1996 NH2 ARG A 134 9.032 4.637 10.561 1.00 41.12 N ATOM 0 H ARG A 134 7.273 0.609 5.485 1.00 22.41 H new ATOM 0 HA ARG A 134 7.735 3.378 5.146 1.00 60.21 H new ATOM 0 HB2 ARG A 134 8.539 1.411 7.324 1.00 42.21 H new ATOM 0 HB3 ARG A 134 8.715 3.149 7.461 1.00 42.21 H new ATOM 0 HG2 ARG A 134 6.262 3.424 7.203 1.00 43.41 H new ATOM 0 HG3 ARG A 134 6.080 1.687 7.051 1.00 43.41 H new ATOM 0 HD2 ARG A 134 5.583 2.258 9.336 1.00 72.34 H new ATOM 0 HD3 ARG A 134 7.125 1.424 9.332 1.00 72.34 H new ATOM 0 HE ARG A 134 6.642 4.252 9.986 1.00 24.05 H new ATOM 0 HH11 ARG A 134 8.987 1.764 9.109 1.00 4.01 H new ATOM 0 HH12 ARG A 134 10.358 2.657 9.776 1.00 4.01 H new ATOM 0 HH21 ARG A 134 8.408 5.393 10.842 1.00 41.12 H new ATOM 0 HH22 ARG A 134 10.032 4.703 10.753 1.00 41.12 H new ATOM 2010 N GLU A 135 10.402 1.426 5.149 1.00 62.43 N ATOM 2011 CA GLU A 135 11.816 1.376 4.795 1.00 63.10 C ATOM 2012 C GLU A 135 12.088 2.175 3.524 1.00 13.54 C ATOM 2013 O GLU A 135 13.149 2.780 3.373 1.00 62.41 O ATOM 2014 CB GLU A 135 12.265 -0.075 4.604 1.00 42.03 C ATOM 2015 CG GLU A 135 12.370 -0.855 5.903 1.00 32.42 C ATOM 2016 CD GLU A 135 13.261 -2.077 5.780 1.00 32.10 C ATOM 2017 OE1 GLU A 135 14.445 -1.914 5.420 1.00 10.43 O ATOM 2018 OE2 GLU A 135 12.772 -3.195 6.043 1.00 70.32 O ATOM 0 H GLU A 135 10.009 0.533 5.446 1.00 62.43 H new ATOM 0 HA GLU A 135 12.385 1.821 5.612 1.00 63.10 H new ATOM 0 HB2 GLU A 135 11.561 -0.580 3.942 1.00 42.03 H new ATOM 0 HB3 GLU A 135 13.234 -0.084 4.105 1.00 42.03 H new ATOM 0 HG2 GLU A 135 12.761 -0.202 6.684 1.00 32.42 H new ATOM 0 HG3 GLU A 135 11.374 -1.167 6.217 1.00 32.42 H new ATOM 2025 N VAL A 136 11.120 2.173 2.613 1.00 45.24 N ATOM 2026 CA VAL A 136 11.254 2.899 1.355 1.00 63.02 C ATOM 2027 C VAL A 136 11.016 4.392 1.553 1.00 24.25 C ATOM 2028 O VAL A 136 11.798 5.221 1.089 1.00 11.33 O ATOM 2029 CB VAL A 136 10.269 2.371 0.296 1.00 64.34 C ATOM 2030 CG1 VAL A 136 10.605 2.937 -1.076 1.00 24.14 C ATOM 2031 CG2 VAL A 136 10.280 0.849 0.271 1.00 61.25 C ATOM 0 H VAL A 136 10.235 1.677 2.722 1.00 45.24 H new ATOM 0 HA VAL A 136 12.274 2.740 1.005 1.00 63.02 H new ATOM 0 HB VAL A 136 9.265 2.701 0.562 1.00 64.34 H new ATOM 0 HG11 VAL A 136 9.898 2.553 -1.811 1.00 24.14 H new ATOM 0 HG12 VAL A 136 10.542 4.025 -1.046 1.00 24.14 H new ATOM 0 HG13 VAL A 136 11.616 2.640 -1.355 1.00 24.14 H new ATOM 0 HG21 VAL A 136 9.578 0.492 -0.483 1.00 61.25 H new ATOM 0 HG22 VAL A 136 11.283 0.496 0.029 1.00 61.25 H new ATOM 0 HG23 VAL A 136 9.987 0.467 1.249 1.00 61.25 H new