USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot 180:sc= -0.839 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.84,f=-2!) USER MOD Single : A 11 CYS SG : rot -174:sc= -8.06! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.146 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 32 SER OG : rot 180:sc= -0.624 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 44 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.5) USER MOD Single : A 52 ASN : amide:sc=-0.000119 K(o=-0.00012,f=-1.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.555 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.397 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 91.003 -3.852 -9.424 1.00 0.00 N ATOM 102 CA ASP A 7 91.214 -4.604 -8.145 1.00 0.00 C ATOM 103 C ASP A 7 90.194 -4.150 -7.089 1.00 0.00 C ATOM 104 O ASP A 7 89.918 -4.868 -6.145 1.00 0.00 O ATOM 105 CB ASP A 7 92.642 -4.269 -7.698 1.00 0.00 C ATOM 106 CG ASP A 7 93.091 -5.248 -6.606 1.00 0.00 C ATOM 107 OD1 ASP A 7 92.240 -5.727 -5.874 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.282 -5.501 -6.523 1.00 0.00 O ATOM 0 HA ASP A 7 91.080 -5.678 -8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 7 93.321 -4.324 -8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.684 -3.247 -7.322 1.00 0.00 H new ATOM 113 N TRP A 8 89.633 -2.970 -7.241 1.00 0.00 N ATOM 114 CA TRP A 8 88.638 -2.473 -6.240 1.00 0.00 C ATOM 115 C TRP A 8 87.274 -3.148 -6.427 1.00 0.00 C ATOM 116 O TRP A 8 86.427 -3.067 -5.560 1.00 0.00 O ATOM 117 CB TRP A 8 88.514 -0.970 -6.481 1.00 0.00 C ATOM 118 CG TRP A 8 89.619 -0.169 -5.874 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.287 0.822 -6.509 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.194 -0.267 -4.538 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.241 1.354 -5.655 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.238 0.724 -4.427 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.927 -1.110 -3.398 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.999 0.878 -3.228 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.690 -0.961 -2.189 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.723 0.031 -2.105 1.00 0.00 C ATOM 0 H TRP A 8 89.823 -2.333 -8.015 1.00 0.00 H new ATOM 0 HA TRP A 8 88.965 -2.700 -5.225 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.491 -0.784 -7.555 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.563 -0.624 -6.077 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.105 1.148 -7.523 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.869 2.118 -5.904 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.149 -1.857 -3.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.776 1.626 -3.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.485 -1.598 -1.341 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.293 0.140 -1.194 1.00 0.00 H new ATOM 137 N ILE A 9 87.040 -3.820 -7.536 1.00 0.00 N ATOM 138 CA ILE A 9 85.676 -4.406 -7.780 1.00 0.00 C ATOM 139 C ILE A 9 85.292 -5.337 -6.616 1.00 0.00 C ATOM 140 O ILE A 9 86.035 -6.228 -6.247 1.00 0.00 O ATOM 141 CB ILE A 9 85.783 -5.181 -9.107 1.00 0.00 C ATOM 142 CG1 ILE A 9 86.146 -4.220 -10.257 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.446 -5.865 -9.424 1.00 0.00 C ATOM 144 CD1 ILE A 9 85.087 -3.117 -10.396 1.00 0.00 C ATOM 0 H ILE A 9 87.725 -3.986 -8.274 1.00 0.00 H new ATOM 0 HA ILE A 9 84.902 -3.641 -7.841 1.00 0.00 H new ATOM 0 HB ILE A 9 86.564 -5.935 -9.006 1.00 0.00 H new ATOM 0 HG12 ILE A 9 87.122 -3.773 -10.069 1.00 0.00 H new ATOM 0 HG13 ILE A 9 86.224 -4.776 -11.191 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.530 -6.411 -10.364 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.194 -6.559 -8.623 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.663 -5.111 -9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.362 -2.450 -11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 9 84.117 -3.568 -10.607 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.029 -2.549 -9.467 1.00 0.00 H new ATOM 156 N GLY A 10 84.132 -5.126 -6.047 1.00 0.00 N ATOM 157 CA GLY A 10 83.713 -5.915 -4.851 1.00 0.00 C ATOM 158 C GLY A 10 84.261 -5.312 -3.544 1.00 0.00 C ATOM 159 O GLY A 10 83.996 -5.837 -2.477 1.00 0.00 O ATOM 0 H GLY A 10 83.452 -4.435 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.625 -5.954 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 10 84.064 -6.942 -4.952 1.00 0.00 H new ATOM 163 N CYS A 11 85.017 -4.227 -3.601 1.00 0.00 N ATOM 164 CA CYS A 11 85.536 -3.615 -2.328 1.00 0.00 C ATOM 165 C CYS A 11 84.465 -2.711 -1.688 1.00 0.00 C ATOM 166 O CYS A 11 83.587 -2.207 -2.362 1.00 0.00 O ATOM 167 CB CYS A 11 86.845 -2.862 -2.708 1.00 0.00 C ATOM 168 SG CYS A 11 86.553 -1.184 -3.368 1.00 0.00 S ATOM 0 H CYS A 11 85.291 -3.749 -4.459 1.00 0.00 H new ATOM 0 HA CYS A 11 85.761 -4.363 -1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.483 -2.792 -1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.389 -3.446 -3.450 1.00 0.00 H new ATOM 0 HG CYS A 11 87.678 -0.677 -3.777 1.00 0.00 H new ATOM 174 N ALA A 12 84.542 -2.512 -0.397 1.00 0.00 N ATOM 175 CA ALA A 12 83.465 -1.761 0.322 1.00 0.00 C ATOM 176 C ALA A 12 83.843 -0.286 0.451 1.00 0.00 C ATOM 177 O ALA A 12 84.847 0.042 1.058 1.00 0.00 O ATOM 178 CB ALA A 12 83.396 -2.410 1.705 1.00 0.00 C ATOM 0 H ALA A 12 85.307 -2.838 0.194 1.00 0.00 H new ATOM 0 HA ALA A 12 82.511 -1.802 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.627 -1.917 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 12 83.151 -3.467 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.361 -2.309 2.203 1.00 0.00 H new ATOM 184 N VAL A 13 83.051 0.601 -0.106 1.00 0.00 N ATOM 185 CA VAL A 13 83.407 2.054 -0.068 1.00 0.00 C ATOM 186 C VAL A 13 82.191 2.911 0.295 1.00 0.00 C ATOM 187 O VAL A 13 81.057 2.520 0.085 1.00 0.00 O ATOM 188 CB VAL A 13 83.908 2.386 -1.479 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.136 1.534 -1.802 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.809 2.096 -2.510 1.00 0.00 C ATOM 0 H VAL A 13 82.177 0.381 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 13 84.162 2.263 0.690 1.00 0.00 H new ATOM 0 HB VAL A 13 84.171 3.443 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.490 1.772 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.925 1.744 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.870 0.478 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.175 2.335 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.538 1.041 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.933 2.706 -2.289 1.00 0.00 H new ATOM 200 N SER A 14 82.432 4.078 0.839 1.00 0.00 N ATOM 201 CA SER A 14 81.324 5.038 1.104 1.00 0.00 C ATOM 202 C SER A 14 81.585 6.329 0.335 1.00 0.00 C ATOM 203 O SER A 14 82.704 6.806 0.285 1.00 0.00 O ATOM 204 CB SER A 14 81.367 5.289 2.611 1.00 0.00 C ATOM 205 OG SER A 14 80.491 6.361 2.935 1.00 0.00 O ATOM 0 H SER A 14 83.358 4.407 1.112 1.00 0.00 H new ATOM 0 HA SER A 14 80.351 4.660 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.072 4.388 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.384 5.528 2.922 1.00 0.00 H new ATOM 0 HG SER A 14 80.515 6.523 3.901 1.00 0.00 H new ATOM 211 N ILE A 15 80.568 6.893 -0.264 1.00 0.00 N ATOM 212 CA ILE A 15 80.781 8.085 -1.139 1.00 0.00 C ATOM 213 C ILE A 15 80.002 9.278 -0.588 1.00 0.00 C ATOM 214 O ILE A 15 78.793 9.223 -0.441 1.00 0.00 O ATOM 215 CB ILE A 15 80.246 7.702 -2.534 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.778 6.323 -2.998 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.688 8.766 -3.542 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.308 6.268 -2.906 1.00 0.00 C ATOM 0 H ILE A 15 79.600 6.580 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 15 81.834 8.364 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 15 79.159 7.643 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.344 5.535 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.464 6.134 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.315 8.506 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.287 9.736 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.777 8.815 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.657 5.290 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.739 7.042 -3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.617 6.433 -1.874 1.00 0.00 H new ATOM 230 N ALA A 16 80.689 10.349 -0.287 1.00 0.00 N ATOM 231 CA ALA A 16 80.002 11.578 0.204 1.00 0.00 C ATOM 232 C ALA A 16 79.854 12.576 -0.943 1.00 0.00 C ATOM 233 O ALA A 16 80.826 13.136 -1.414 1.00 0.00 O ATOM 234 CB ALA A 16 80.921 12.138 1.291 1.00 0.00 C ATOM 0 H ALA A 16 81.704 10.424 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 16 79.002 11.376 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.484 13.047 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.039 11.399 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.896 12.367 0.861 1.00 0.00 H new ATOM 240 N CYS A 17 78.646 12.793 -1.397 1.00 0.00 N ATOM 241 CA CYS A 17 78.404 13.808 -2.465 1.00 0.00 C ATOM 242 C CYS A 17 77.974 15.128 -1.825 1.00 0.00 C ATOM 243 O CYS A 17 77.643 15.173 -0.653 1.00 0.00 O ATOM 244 CB CYS A 17 77.274 13.244 -3.336 1.00 0.00 C ATOM 245 SG CYS A 17 77.746 11.629 -4.013 1.00 0.00 S ATOM 0 H CYS A 17 77.811 12.306 -1.071 1.00 0.00 H new ATOM 0 HA CYS A 17 79.299 14.000 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.364 13.146 -2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 17 77.052 13.936 -4.149 1.00 0.00 H new ATOM 0 HG CYS A 17 76.777 11.166 -4.746 1.00 0.00 H new ATOM 251 N ASP A 18 77.974 16.200 -2.580 1.00 0.00 N ATOM 252 CA ASP A 18 77.612 17.535 -2.000 1.00 0.00 C ATOM 253 C ASP A 18 76.191 17.487 -1.418 1.00 0.00 C ATOM 254 O ASP A 18 75.463 16.533 -1.615 1.00 0.00 O ATOM 255 CB ASP A 18 77.698 18.532 -3.160 1.00 0.00 C ATOM 256 CG ASP A 18 79.138 18.608 -3.677 1.00 0.00 C ATOM 257 OD1 ASP A 18 80.047 18.397 -2.889 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.308 18.877 -4.855 1.00 0.00 O ATOM 0 H ASP A 18 78.209 16.210 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 18 78.279 17.822 -1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 18 77.029 18.226 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.369 19.517 -2.829 1.00 0.00 H new ATOM 263 N GLU A 19 75.799 18.512 -0.704 1.00 0.00 N ATOM 264 CA GLU A 19 74.577 18.416 0.167 1.00 0.00 C ATOM 265 C GLU A 19 73.346 17.963 -0.627 1.00 0.00 C ATOM 266 O GLU A 19 72.499 17.257 -0.108 1.00 0.00 O ATOM 267 CB GLU A 19 74.360 19.831 0.713 1.00 0.00 C ATOM 268 CG GLU A 19 75.531 20.215 1.625 1.00 0.00 C ATOM 269 CD GLU A 19 75.299 21.606 2.236 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.500 22.357 1.697 1.00 0.00 O ATOM 271 OE2 GLU A 19 75.930 21.897 3.240 1.00 0.00 O ATOM 0 H GLU A 19 76.271 19.416 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 19 74.718 17.678 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.279 20.541 -0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.423 19.878 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.640 19.476 2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.460 20.211 1.056 1.00 0.00 H new ATOM 278 N VAL A 20 73.238 18.360 -1.872 1.00 0.00 N ATOM 279 CA VAL A 20 72.013 18.023 -2.667 1.00 0.00 C ATOM 280 C VAL A 20 72.036 16.540 -3.077 1.00 0.00 C ATOM 281 O VAL A 20 71.001 15.941 -3.306 1.00 0.00 O ATOM 282 CB VAL A 20 72.067 18.937 -3.899 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.862 18.665 -4.807 1.00 0.00 C ATOM 284 CG2 VAL A 20 72.039 20.402 -3.452 1.00 0.00 C ATOM 0 H VAL A 20 73.943 18.902 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 20 71.096 18.175 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 20 72.986 18.736 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.908 19.318 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.879 17.625 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.941 18.859 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 20 72.077 21.050 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.121 20.596 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.899 20.604 -2.813 1.00 0.00 H new ATOM 294 N LEU A 21 73.204 15.951 -3.170 1.00 0.00 N ATOM 295 CA LEU A 21 73.306 14.520 -3.588 1.00 0.00 C ATOM 296 C LEU A 21 73.272 13.570 -2.377 1.00 0.00 C ATOM 297 O LEU A 21 73.068 12.379 -2.531 1.00 0.00 O ATOM 298 CB LEU A 21 74.651 14.436 -4.299 1.00 0.00 C ATOM 299 CG LEU A 21 74.598 15.241 -5.601 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.986 15.260 -6.243 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.603 14.589 -6.566 1.00 0.00 C ATOM 0 H LEU A 21 74.096 16.405 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 21 72.471 14.219 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.439 14.822 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.896 13.396 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 21 74.280 16.261 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.950 15.832 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.697 15.722 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.301 14.239 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.566 15.162 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.921 13.569 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.613 14.571 -6.110 1.00 0.00 H new ATOM 313 N GLY A 22 73.468 14.080 -1.181 1.00 0.00 N ATOM 314 CA GLY A 22 73.442 13.206 0.033 1.00 0.00 C ATOM 315 C GLY A 22 74.605 12.208 -0.004 1.00 0.00 C ATOM 316 O GLY A 22 75.615 12.435 -0.647 1.00 0.00 O ATOM 0 H GLY A 22 73.645 15.067 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.508 13.819 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.495 12.669 0.083 1.00 0.00 H new ATOM 320 N VAL A 23 74.469 11.100 0.687 1.00 0.00 N ATOM 321 CA VAL A 23 75.597 10.117 0.780 1.00 0.00 C ATOM 322 C VAL A 23 75.081 8.696 0.543 1.00 0.00 C ATOM 323 O VAL A 23 74.007 8.339 0.994 1.00 0.00 O ATOM 324 CB VAL A 23 76.146 10.244 2.208 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.368 9.333 2.370 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.558 11.694 2.488 1.00 0.00 C ATOM 0 H VAL A 23 73.624 10.834 1.192 1.00 0.00 H new ATOM 0 HA VAL A 23 76.365 10.316 0.032 1.00 0.00 H new ATOM 0 HB VAL A 23 75.368 9.949 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.757 9.424 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.078 8.299 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.139 9.628 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 23 76.946 11.772 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.330 11.996 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.691 12.346 2.379 1.00 0.00 H new ATOM 336 N PHE A 24 75.842 7.887 -0.157 1.00 0.00 N ATOM 337 CA PHE A 24 75.454 6.453 -0.330 1.00 0.00 C ATOM 338 C PHE A 24 76.649 5.540 -0.039 1.00 0.00 C ATOM 339 O PHE A 24 77.788 5.950 -0.131 1.00 0.00 O ATOM 340 CB PHE A 24 75.009 6.306 -1.791 1.00 0.00 C ATOM 341 CG PHE A 24 76.111 6.535 -2.804 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.925 5.432 -3.234 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.355 7.849 -3.328 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.977 5.644 -4.188 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.407 8.057 -4.279 1.00 0.00 C ATOM 346 CZ PHE A 24 78.216 6.957 -4.709 1.00 0.00 C ATOM 0 H PHE A 24 76.712 8.158 -0.614 1.00 0.00 H new ATOM 0 HA PHE A 24 74.657 6.169 0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.601 5.306 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.201 7.011 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.746 4.443 -2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.746 8.681 -3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.588 4.814 -4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.590 9.046 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 24 79.007 7.117 -5.427 1.00 0.00 H new ATOM 356 N GLN A 25 76.386 4.309 0.314 1.00 0.00 N ATOM 357 CA GLN A 25 77.490 3.334 0.570 1.00 0.00 C ATOM 358 C GLN A 25 77.123 1.974 -0.029 1.00 0.00 C ATOM 359 O GLN A 25 75.967 1.597 -0.049 1.00 0.00 O ATOM 360 CB GLN A 25 77.596 3.245 2.094 1.00 0.00 C ATOM 361 CG GLN A 25 77.965 4.621 2.659 1.00 0.00 C ATOM 362 CD GLN A 25 78.079 4.555 4.188 1.00 0.00 C ATOM 363 OE1 GLN A 25 77.953 3.501 4.783 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.311 5.653 4.855 1.00 0.00 N ATOM 0 H GLN A 25 75.446 3.933 0.437 1.00 0.00 H new ATOM 0 HA GLN A 25 78.434 3.640 0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.649 2.908 2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.350 2.510 2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.910 4.956 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.209 5.353 2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.417 6.538 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.386 5.626 5.872 1.00 0.00 H new ATOM 373 N GLY A 26 78.095 1.240 -0.514 1.00 0.00 N ATOM 374 CA GLY A 26 77.791 -0.059 -1.189 1.00 0.00 C ATOM 375 C GLY A 26 79.091 -0.762 -1.581 1.00 0.00 C ATOM 376 O GLY A 26 80.164 -0.189 -1.508 1.00 0.00 O ATOM 0 H GLY A 26 79.084 1.485 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.210 -0.697 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.181 0.116 -2.075 1.00 0.00 H new ATOM 380 N LEU A 27 79.000 -2.004 -1.991 1.00 0.00 N ATOM 381 CA LEU A 27 80.191 -2.702 -2.557 1.00 0.00 C ATOM 382 C LEU A 27 80.253 -2.481 -4.070 1.00 0.00 C ATOM 383 O LEU A 27 79.265 -2.612 -4.769 1.00 0.00 O ATOM 384 CB LEU A 27 79.982 -4.183 -2.239 1.00 0.00 C ATOM 385 CG LEU A 27 80.135 -4.411 -0.735 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.587 -5.792 -0.369 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.618 -4.337 -0.358 1.00 0.00 C ATOM 0 H LEU A 27 78.148 -2.564 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 27 81.126 -2.330 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.992 -4.499 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.706 -4.788 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 27 79.581 -3.645 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.696 -5.954 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.532 -5.848 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 27 80.141 -6.559 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.729 -4.499 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 27 82.170 -5.104 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 27 82.011 -3.354 -0.619 1.00 0.00 H new ATOM 399 N ILE A 28 81.413 -2.148 -4.568 1.00 0.00 N ATOM 400 CA ILE A 28 81.554 -1.816 -6.022 1.00 0.00 C ATOM 401 C ILE A 28 81.329 -3.063 -6.885 1.00 0.00 C ATOM 402 O ILE A 28 81.805 -4.137 -6.575 1.00 0.00 O ATOM 403 CB ILE A 28 82.995 -1.297 -6.176 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.181 -0.046 -5.306 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.288 -0.953 -7.645 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.645 0.400 -5.347 1.00 0.00 C ATOM 0 H ILE A 28 82.277 -2.090 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 28 80.820 -1.079 -6.347 1.00 0.00 H new ATOM 0 HB ILE A 28 83.688 -2.075 -5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.536 0.757 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.884 -0.259 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.311 -0.588 -7.736 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.165 -1.845 -8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.596 -0.182 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.772 1.288 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.280 -0.401 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 28 84.927 0.630 -6.375 1.00 0.00 H new ATOM 418 N LYS A 29 80.600 -2.917 -7.965 1.00 0.00 N ATOM 419 CA LYS A 29 80.501 -4.022 -8.964 1.00 0.00 C ATOM 420 C LYS A 29 81.217 -3.630 -10.260 1.00 0.00 C ATOM 421 O LYS A 29 81.700 -4.481 -10.985 1.00 0.00 O ATOM 422 CB LYS A 29 79.006 -4.213 -9.213 1.00 0.00 C ATOM 423 CG LYS A 29 78.798 -5.399 -10.160 1.00 0.00 C ATOM 424 CD LYS A 29 77.307 -5.560 -10.462 1.00 0.00 C ATOM 425 CE LYS A 29 77.094 -6.806 -11.325 1.00 0.00 C ATOM 426 NZ LYS A 29 75.629 -6.844 -11.589 1.00 0.00 N ATOM 0 H LYS A 29 80.069 -2.077 -8.196 1.00 0.00 H new ATOM 0 HA LYS A 29 80.969 -4.939 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.488 -4.390 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.579 -3.308 -9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.352 -5.240 -11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 29 79.188 -6.311 -9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.744 -5.647 -9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.932 -4.677 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.661 -6.745 -12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.426 -7.706 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.403 -7.672 -12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.115 -6.909 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.344 -5.977 -12.088 1.00 0.00 H new ATOM 440 N GLN A 30 81.292 -2.351 -10.556 1.00 0.00 N ATOM 441 CA GLN A 30 81.967 -1.906 -11.816 1.00 0.00 C ATOM 442 C GLN A 30 82.562 -0.510 -11.620 1.00 0.00 C ATOM 443 O GLN A 30 82.024 0.305 -10.896 1.00 0.00 O ATOM 444 CB GLN A 30 80.880 -1.875 -12.896 1.00 0.00 C ATOM 445 CG GLN A 30 80.406 -3.297 -13.214 1.00 0.00 C ATOM 446 CD GLN A 30 79.429 -3.261 -14.394 1.00 0.00 C ATOM 447 OE1 GLN A 30 78.821 -2.244 -14.667 1.00 0.00 O ATOM 448 NE2 GLN A 30 79.252 -4.337 -15.110 1.00 0.00 N ATOM 0 H GLN A 30 80.915 -1.599 -9.979 1.00 0.00 H new ATOM 0 HA GLN A 30 82.780 -2.576 -12.095 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.038 -1.271 -12.557 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.268 -1.403 -13.799 1.00 0.00 H new ATOM 0 HG2 GLN A 30 81.260 -3.930 -13.455 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.921 -3.734 -12.341 1.00 0.00 H new ATOM 0 HE21 GLN A 30 79.761 -5.191 -14.882 1.00 0.00 H new ATOM 0 HE22 GLN A 30 78.604 -4.325 -15.898 1.00 0.00 H new ATOM 457 N ILE A 31 83.670 -0.233 -12.265 1.00 0.00 N ATOM 458 CA ILE A 31 84.317 1.107 -12.118 1.00 0.00 C ATOM 459 C ILE A 31 84.855 1.579 -13.472 1.00 0.00 C ATOM 460 O ILE A 31 85.428 0.816 -14.226 1.00 0.00 O ATOM 461 CB ILE A 31 85.463 0.918 -11.110 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.893 0.410 -9.775 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.189 2.260 -10.889 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.022 0.182 -8.763 1.00 0.00 C ATOM 0 H ILE A 31 84.154 -0.879 -12.888 1.00 0.00 H new ATOM 0 HA ILE A 31 83.612 1.862 -11.771 1.00 0.00 H new ATOM 0 HB ILE A 31 86.172 0.189 -11.501 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.181 1.133 -9.378 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.347 -0.520 -9.936 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.000 2.121 -10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.596 2.614 -11.836 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.484 2.995 -10.500 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.602 -0.177 -7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.719 -0.559 -9.156 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.550 1.120 -8.589 1.00 0.00 H new ATOM 476 N SER A 32 84.664 2.837 -13.775 1.00 0.00 N ATOM 477 CA SER A 32 85.255 3.422 -15.015 1.00 0.00 C ATOM 478 C SER A 32 85.630 4.881 -14.756 1.00 0.00 C ATOM 479 O SER A 32 85.107 5.511 -13.858 1.00 0.00 O ATOM 480 CB SER A 32 84.155 3.325 -16.070 1.00 0.00 C ATOM 481 OG SER A 32 83.064 4.152 -15.690 1.00 0.00 O ATOM 0 H SER A 32 84.119 3.489 -13.211 1.00 0.00 H new ATOM 0 HA SER A 32 86.159 2.904 -15.336 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.539 3.635 -17.042 1.00 0.00 H new ATOM 0 HB3 SER A 32 83.824 2.292 -16.173 1.00 0.00 H new ATOM 0 HG SER A 32 82.357 4.093 -16.366 1.00 0.00 H new ATOM 487 N ALA A 33 86.523 5.425 -15.544 1.00 0.00 N ATOM 488 CA ALA A 33 87.091 6.780 -15.233 1.00 0.00 C ATOM 489 C ALA A 33 85.980 7.830 -15.080 1.00 0.00 C ATOM 490 O ALA A 33 86.169 8.841 -14.427 1.00 0.00 O ATOM 491 CB ALA A 33 87.986 7.127 -16.425 1.00 0.00 C ATOM 0 H ALA A 33 86.886 4.991 -16.392 1.00 0.00 H new ATOM 0 HA ALA A 33 87.640 6.772 -14.291 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.437 8.107 -16.268 1.00 0.00 H new ATOM 0 HB2 ALA A 33 88.771 6.377 -16.521 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.388 7.144 -17.336 1.00 0.00 H new ATOM 497 N GLU A 34 84.831 7.600 -15.672 1.00 0.00 N ATOM 498 CA GLU A 34 83.760 8.644 -15.669 1.00 0.00 C ATOM 499 C GLU A 34 82.799 8.452 -14.487 1.00 0.00 C ATOM 500 O GLU A 34 82.184 9.398 -14.029 1.00 0.00 O ATOM 501 CB GLU A 34 83.023 8.460 -16.997 1.00 0.00 C ATOM 502 CG GLU A 34 83.981 8.737 -18.163 1.00 0.00 C ATOM 503 CD GLU A 34 84.451 10.199 -18.132 1.00 0.00 C ATOM 504 OE1 GLU A 34 83.759 11.023 -17.550 1.00 0.00 O ATOM 505 OE2 GLU A 34 85.499 10.472 -18.694 1.00 0.00 O ATOM 0 H GLU A 34 84.590 6.735 -16.156 1.00 0.00 H new ATOM 0 HA GLU A 34 84.176 9.646 -15.563 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.631 7.445 -17.069 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.169 9.136 -17.047 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.841 8.070 -18.102 1.00 0.00 H new ATOM 0 HG3 GLU A 34 83.482 8.528 -19.110 1.00 0.00 H new ATOM 512 N GLU A 35 82.665 7.243 -13.989 1.00 0.00 N ATOM 513 CA GLU A 35 81.618 6.967 -12.954 1.00 0.00 C ATOM 514 C GLU A 35 81.982 5.738 -12.110 1.00 0.00 C ATOM 515 O GLU A 35 82.738 4.884 -12.533 1.00 0.00 O ATOM 516 CB GLU A 35 80.326 6.727 -13.745 1.00 0.00 C ATOM 517 CG GLU A 35 80.503 5.538 -14.699 1.00 0.00 C ATOM 518 CD GLU A 35 79.263 5.381 -15.588 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.197 5.823 -15.184 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.401 4.821 -16.663 1.00 0.00 O ATOM 0 H GLU A 35 83.234 6.439 -14.254 1.00 0.00 H new ATOM 0 HA GLU A 35 81.518 7.794 -12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.502 6.533 -13.059 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.066 7.621 -14.311 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.387 5.689 -15.319 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.667 4.625 -14.127 1.00 0.00 H new ATOM 527 N ILE A 36 81.444 5.651 -10.919 1.00 0.00 N ATOM 528 CA ILE A 36 81.593 4.405 -10.101 1.00 0.00 C ATOM 529 C ILE A 36 80.216 3.763 -9.892 1.00 0.00 C ATOM 530 O ILE A 36 79.236 4.456 -9.679 1.00 0.00 O ATOM 531 CB ILE A 36 82.176 4.864 -8.755 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.496 5.631 -8.970 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.436 3.642 -7.870 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.520 4.753 -9.702 1.00 0.00 C ATOM 0 H ILE A 36 80.904 6.394 -10.474 1.00 0.00 H new ATOM 0 HA ILE A 36 82.234 3.667 -10.584 1.00 0.00 H new ATOM 0 HB ILE A 36 81.460 5.528 -8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.307 6.536 -9.547 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.901 5.945 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.850 3.966 -6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.500 3.111 -7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.144 2.978 -8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.444 5.313 -9.844 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.724 3.861 -9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.120 4.461 -10.673 1.00 0.00 H new ATOM 546 N THR A 37 80.131 2.450 -9.950 1.00 0.00 N ATOM 547 CA THR A 37 78.801 1.775 -9.820 1.00 0.00 C ATOM 548 C THR A 37 78.845 0.721 -8.707 1.00 0.00 C ATOM 549 O THR A 37 79.742 -0.103 -8.666 1.00 0.00 O ATOM 550 CB THR A 37 78.565 1.106 -11.177 1.00 0.00 C ATOM 551 OG1 THR A 37 78.620 2.088 -12.202 1.00 0.00 O ATOM 552 CG2 THR A 37 77.192 0.425 -11.191 1.00 0.00 C ATOM 0 H THR A 37 80.924 1.822 -10.081 1.00 0.00 H new ATOM 0 HA THR A 37 78.007 2.476 -9.563 1.00 0.00 H new ATOM 0 HB THR A 37 79.337 0.355 -11.348 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.471 1.662 -13.072 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.031 -0.049 -12.159 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.153 -0.330 -10.406 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.415 1.169 -11.017 1.00 0.00 H new ATOM 560 N ILE A 38 77.882 0.738 -7.811 1.00 0.00 N ATOM 561 CA ILE A 38 77.861 -0.269 -6.701 1.00 0.00 C ATOM 562 C ILE A 38 76.453 -0.867 -6.540 1.00 0.00 C ATOM 563 O ILE A 38 75.491 -0.367 -7.091 1.00 0.00 O ATOM 564 CB ILE A 38 78.292 0.487 -5.431 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.287 1.611 -5.118 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.698 1.086 -5.617 1.00 0.00 C ATOM 567 CD1 ILE A 38 77.514 2.129 -3.690 1.00 0.00 C ATOM 0 H ILE A 38 77.111 1.406 -7.802 1.00 0.00 H new ATOM 0 HA ILE A 38 78.531 -1.104 -6.905 1.00 0.00 H new ATOM 0 HB ILE A 38 78.314 -0.217 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.404 2.425 -5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.268 1.239 -5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.990 1.618 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.411 0.286 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.690 1.779 -6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.800 2.924 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.375 1.313 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.528 2.518 -3.601 1.00 0.00 H new ATOM 579 N VAL A 39 76.339 -1.929 -5.781 1.00 0.00 N ATOM 580 CA VAL A 39 75.033 -2.662 -5.679 1.00 0.00 C ATOM 581 C VAL A 39 74.598 -2.796 -4.213 1.00 0.00 C ATOM 582 O VAL A 39 75.387 -2.614 -3.307 1.00 0.00 O ATOM 583 CB VAL A 39 75.284 -4.040 -6.301 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.671 -3.868 -7.769 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.417 -4.756 -5.556 1.00 0.00 C ATOM 0 H VAL A 39 77.097 -2.324 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 39 74.232 -2.130 -6.193 1.00 0.00 H new ATOM 0 HB VAL A 39 74.375 -4.637 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.850 -4.846 -8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.862 -3.369 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.577 -3.266 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.587 -5.734 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.329 -4.162 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.142 -4.881 -4.509 1.00 0.00 H new ATOM 595 N ARG A 40 73.339 -3.108 -3.979 1.00 0.00 N ATOM 596 CA ARG A 40 72.785 -3.135 -2.579 1.00 0.00 C ATOM 597 C ARG A 40 72.987 -1.772 -1.917 1.00 0.00 C ATOM 598 O ARG A 40 73.538 -1.661 -0.838 1.00 0.00 O ATOM 599 CB ARG A 40 73.549 -4.235 -1.821 1.00 0.00 C ATOM 600 CG ARG A 40 73.408 -5.569 -2.561 1.00 0.00 C ATOM 601 CD ARG A 40 71.968 -6.071 -2.442 1.00 0.00 C ATOM 602 NE ARG A 40 71.774 -6.342 -0.982 1.00 0.00 N ATOM 603 CZ ARG A 40 72.313 -7.395 -0.392 1.00 0.00 C ATOM 604 NH1 ARG A 40 73.045 -8.265 -1.053 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.112 -7.576 0.885 1.00 0.00 N ATOM 0 H ARG A 40 72.665 -3.348 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 40 71.715 -3.344 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.602 -3.966 -1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.160 -4.328 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.675 -5.444 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 40 74.096 -6.303 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.259 -5.326 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.813 -6.972 -3.035 1.00 0.00 H new ATOM 0 HE ARG A 40 71.211 -5.697 -0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 40 73.211 -8.138 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 40 73.447 -9.067 -0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 40 71.546 -6.910 1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 40 72.520 -8.383 1.356 1.00 0.00 H new ATOM 619 N ALA A 41 72.536 -0.735 -2.573 1.00 0.00 N ATOM 620 CA ALA A 41 72.875 0.653 -2.133 1.00 0.00 C ATOM 621 C ALA A 41 72.197 1.018 -0.808 1.00 0.00 C ATOM 622 O ALA A 41 71.035 0.727 -0.574 1.00 0.00 O ATOM 623 CB ALA A 41 72.363 1.560 -3.252 1.00 0.00 C ATOM 0 H ALA A 41 71.943 -0.790 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 41 73.946 0.756 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 41 72.575 2.600 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 41 72.861 1.302 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 41 71.287 1.426 -3.365 1.00 0.00 H new ATOM 629 N PHE A 42 72.932 1.659 0.059 1.00 0.00 N ATOM 630 CA PHE A 42 72.325 2.286 1.268 1.00 0.00 C ATOM 631 C PHE A 42 72.486 3.804 1.175 1.00 0.00 C ATOM 632 O PHE A 42 73.520 4.292 0.763 1.00 0.00 O ATOM 633 CB PHE A 42 73.117 1.732 2.458 1.00 0.00 C ATOM 634 CG PHE A 42 72.550 0.455 3.047 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.731 -0.808 2.381 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.834 0.511 4.288 1.00 0.00 C ATOM 637 CE1 PHE A 42 72.190 -2.006 2.959 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.296 -0.687 4.864 1.00 0.00 C ATOM 639 CZ PHE A 42 71.474 -1.945 4.200 1.00 0.00 C ATOM 0 H PHE A 42 73.942 1.777 -0.020 1.00 0.00 H new ATOM 0 HA PHE A 42 71.262 2.068 1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.144 1.547 2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.156 2.492 3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.273 -0.855 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.700 1.458 4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.322 -2.954 2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.756 -0.641 5.798 1.00 0.00 H new ATOM 0 HZ PHE A 42 71.069 -2.847 4.634 1.00 0.00 H new ATOM 649 N ARG A 43 71.478 4.550 1.552 1.00 0.00 N ATOM 650 CA ARG A 43 71.553 6.039 1.440 1.00 0.00 C ATOM 651 C ARG A 43 71.034 6.686 2.724 1.00 0.00 C ATOM 652 O ARG A 43 70.081 6.223 3.318 1.00 0.00 O ATOM 653 CB ARG A 43 70.654 6.396 0.257 1.00 0.00 C ATOM 654 CG ARG A 43 70.780 7.890 -0.047 1.00 0.00 C ATOM 655 CD ARG A 43 69.834 8.261 -1.193 1.00 0.00 C ATOM 656 NE ARG A 43 70.134 9.696 -1.499 1.00 0.00 N ATOM 657 CZ ARG A 43 69.265 10.472 -2.125 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.092 10.026 -2.520 1.00 0.00 N ATOM 659 NH2 ARG A 43 69.582 11.715 -2.361 1.00 0.00 N ATOM 0 H ARG A 43 70.603 4.190 1.934 1.00 0.00 H new ATOM 0 HA ARG A 43 72.573 6.393 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 43 70.937 5.811 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.618 6.147 0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.539 8.474 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.808 8.131 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.004 7.629 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 43 68.792 8.130 -0.902 1.00 0.00 H new ATOM 0 HE ARG A 43 71.033 10.086 -1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 43 67.830 9.056 -2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 43 67.444 10.651 -3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 43 70.489 12.075 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 43 68.923 12.327 -2.843 1.00 0.00 H new ATOM 673 N ASN A 44 71.661 7.753 3.162 1.00 0.00 N ATOM 674 CA ASN A 44 71.203 8.463 4.408 1.00 0.00 C ATOM 675 C ASN A 44 71.089 7.485 5.590 1.00 0.00 C ATOM 676 O ASN A 44 70.155 7.547 6.368 1.00 0.00 O ATOM 677 CB ASN A 44 69.831 9.059 4.068 1.00 0.00 C ATOM 678 CG ASN A 44 69.962 10.013 2.878 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.166 9.969 1.960 1.00 0.00 O ATOM 680 ND2 ASN A 44 70.937 10.880 2.853 1.00 0.00 N ATOM 0 H ASN A 44 72.476 8.168 2.709 1.00 0.00 H new ATOM 0 HA ASN A 44 71.914 9.232 4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.126 8.262 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.431 9.592 4.931 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.031 11.520 2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.605 10.918 3.622 1.00 0.00 H new ATOM 687 N GLY A 45 72.033 6.587 5.719 1.00 0.00 N ATOM 688 CA GLY A 45 72.054 5.661 6.894 1.00 0.00 C ATOM 689 C GLY A 45 70.799 4.778 6.922 1.00 0.00 C ATOM 690 O GLY A 45 70.426 4.265 7.961 1.00 0.00 O ATOM 0 H GLY A 45 72.796 6.454 5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.944 5.033 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.117 6.239 7.816 1.00 0.00 H new ATOM 694 N VAL A 46 70.145 4.596 5.797 1.00 0.00 N ATOM 695 CA VAL A 46 68.998 3.639 5.734 1.00 0.00 C ATOM 696 C VAL A 46 68.990 2.926 4.364 1.00 0.00 C ATOM 697 O VAL A 46 69.452 3.484 3.391 1.00 0.00 O ATOM 698 CB VAL A 46 67.749 4.513 5.934 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.469 3.694 5.719 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.755 5.049 7.364 1.00 0.00 C ATOM 0 H VAL A 46 70.359 5.071 4.920 1.00 0.00 H new ATOM 0 HA VAL A 46 69.051 2.852 6.487 1.00 0.00 H new ATOM 0 HB VAL A 46 67.768 5.328 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.599 4.334 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.459 3.295 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.439 2.871 6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.875 5.672 7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.741 4.215 8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.654 5.644 7.526 1.00 0.00 H new ATOM 710 N PRO A 47 68.467 1.712 4.320 1.00 0.00 N ATOM 711 CA PRO A 47 68.509 0.928 3.060 1.00 0.00 C ATOM 712 C PRO A 47 67.543 1.528 2.034 1.00 0.00 C ATOM 713 O PRO A 47 66.500 2.046 2.390 1.00 0.00 O ATOM 714 CB PRO A 47 68.059 -0.482 3.469 1.00 0.00 C ATOM 715 CG PRO A 47 67.940 -0.470 4.965 1.00 0.00 C ATOM 716 CD PRO A 47 67.800 0.963 5.396 1.00 0.00 C ATOM 0 HA PRO A 47 69.496 0.926 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 47 67.106 -0.735 3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.781 -1.230 3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 47 67.076 -1.053 5.286 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.819 -0.924 5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.754 1.251 5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.274 1.140 6.362 1.00 0.00 H new ATOM 724 N LEU A 48 67.882 1.465 0.765 1.00 0.00 N ATOM 725 CA LEU A 48 66.928 1.930 -0.288 1.00 0.00 C ATOM 726 C LEU A 48 65.838 0.877 -0.509 1.00 0.00 C ATOM 727 O LEU A 48 66.042 -0.297 -0.265 1.00 0.00 O ATOM 728 CB LEU A 48 67.769 2.114 -1.556 1.00 0.00 C ATOM 729 CG LEU A 48 68.887 3.137 -1.306 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.739 3.279 -2.569 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.277 4.501 -0.953 1.00 0.00 C ATOM 0 H LEU A 48 68.774 1.113 0.418 1.00 0.00 H new ATOM 0 HA LEU A 48 66.427 2.856 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.200 1.159 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.135 2.450 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 48 69.507 2.793 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.533 4.005 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.179 2.314 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.113 3.619 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.075 5.222 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.653 4.845 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.669 4.406 -0.053 1.00 0.00 H new ATOM 743 N ARG A 49 64.682 1.293 -0.969 1.00 0.00 N ATOM 744 CA ARG A 49 63.523 0.345 -1.097 1.00 0.00 C ATOM 745 C ARG A 49 63.905 -0.881 -1.938 1.00 0.00 C ATOM 746 O ARG A 49 63.495 -1.990 -1.648 1.00 0.00 O ATOM 747 CB ARG A 49 62.419 1.143 -1.796 1.00 0.00 C ATOM 748 CG ARG A 49 61.142 0.304 -1.857 1.00 0.00 C ATOM 749 CD ARG A 49 60.057 1.076 -2.614 1.00 0.00 C ATOM 750 NE ARG A 49 58.823 0.234 -2.496 1.00 0.00 N ATOM 751 CZ ARG A 49 57.814 0.355 -3.343 1.00 0.00 C ATOM 752 NH1 ARG A 49 57.835 1.223 -4.331 1.00 0.00 N ATOM 753 NH2 ARG A 49 56.767 -0.408 -3.190 1.00 0.00 N ATOM 0 H ARG A 49 64.488 2.250 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 49 63.206 -0.029 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.231 2.072 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 49 62.735 1.416 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.342 -0.645 -2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 49 60.800 0.070 -0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 49 59.902 2.065 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 49 60.334 1.224 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 49 58.759 -0.451 -1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 49 58.646 1.828 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 49 57.040 1.291 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 49 56.736 -1.084 -2.427 1.00 0.00 H new ATOM 0 HH22 ARG A 49 55.980 -0.329 -3.834 1.00 0.00 H new ATOM 767 N LYS A 50 64.685 -0.683 -2.973 1.00 0.00 N ATOM 768 CA LYS A 50 65.115 -1.834 -3.824 1.00 0.00 C ATOM 769 C LYS A 50 66.614 -2.094 -3.653 1.00 0.00 C ATOM 770 O LYS A 50 67.442 -1.353 -4.152 1.00 0.00 O ATOM 771 CB LYS A 50 64.805 -1.404 -5.259 1.00 0.00 C ATOM 772 CG LYS A 50 63.292 -1.250 -5.429 1.00 0.00 C ATOM 773 CD LYS A 50 62.972 -0.939 -6.893 1.00 0.00 C ATOM 774 CE LYS A 50 61.470 -0.683 -7.043 1.00 0.00 C ATOM 775 NZ LYS A 50 61.298 0.769 -6.759 1.00 0.00 N ATOM 0 H LYS A 50 65.042 0.227 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 50 64.603 -2.758 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.305 -0.462 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.187 -2.144 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.786 -2.165 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 50 62.923 -0.450 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.535 -0.066 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.275 -1.772 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.125 -0.933 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 50 60.894 -1.293 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 60.293 1.022 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 61.629 0.976 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 61.852 1.324 -7.442 1.00 0.00 H new ATOM 789 N GLN A 51 66.962 -3.141 -2.947 1.00 0.00 N ATOM 790 CA GLN A 51 68.407 -3.506 -2.790 1.00 0.00 C ATOM 791 C GLN A 51 69.015 -3.846 -4.154 1.00 0.00 C ATOM 792 O GLN A 51 70.189 -3.630 -4.391 1.00 0.00 O ATOM 793 CB GLN A 51 68.424 -4.735 -1.875 1.00 0.00 C ATOM 794 CG GLN A 51 67.849 -4.367 -0.504 1.00 0.00 C ATOM 795 CD GLN A 51 68.763 -3.346 0.179 1.00 0.00 C ATOM 796 OE1 GLN A 51 69.962 -3.536 0.248 1.00 0.00 O ATOM 797 NE2 GLN A 51 68.244 -2.264 0.691 1.00 0.00 N ATOM 0 H GLN A 51 66.307 -3.761 -2.471 1.00 0.00 H new ATOM 0 HA GLN A 51 68.991 -2.686 -2.372 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.840 -5.540 -2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.444 -5.104 -1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.847 -3.954 -0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.758 -5.260 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.238 -2.104 0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 51 68.844 -1.578 1.149 1.00 0.00 H new ATOM 806 N ASN A 52 68.218 -4.379 -5.047 1.00 0.00 N ATOM 807 CA ASN A 52 68.746 -4.803 -6.383 1.00 0.00 C ATOM 808 C ASN A 52 69.082 -3.585 -7.258 1.00 0.00 C ATOM 809 O ASN A 52 69.800 -3.708 -8.235 1.00 0.00 O ATOM 810 CB ASN A 52 67.619 -5.621 -7.022 1.00 0.00 C ATOM 811 CG ASN A 52 67.351 -6.874 -6.184 1.00 0.00 C ATOM 812 OD1 ASN A 52 68.193 -7.307 -5.421 1.00 0.00 O ATOM 813 ND2 ASN A 52 66.201 -7.482 -6.295 1.00 0.00 N ATOM 0 H ASN A 52 67.220 -4.540 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 52 69.667 -5.377 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.714 -5.018 -7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 52 67.893 -5.903 -8.038 1.00 0.00 H new ATOM 0 HD21 ASN A 52 66.011 -8.318 -5.742 1.00 0.00 H new ATOM 0 HD22 ASN A 52 65.493 -7.121 -6.934 1.00 0.00 H new ATOM 820 N ALA A 53 68.577 -2.416 -6.921 1.00 0.00 N ATOM 821 CA ALA A 53 68.832 -1.214 -7.778 1.00 0.00 C ATOM 822 C ALA A 53 70.284 -0.758 -7.620 1.00 0.00 C ATOM 823 O ALA A 53 70.808 -0.698 -6.522 1.00 0.00 O ATOM 824 CB ALA A 53 67.871 -0.138 -7.268 1.00 0.00 C ATOM 0 H ALA A 53 68.004 -2.246 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 53 68.674 -1.423 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.003 0.773 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 53 66.844 -0.489 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.081 0.069 -6.219 1.00 0.00 H new ATOM 830 N GLU A 54 70.933 -0.440 -8.713 1.00 0.00 N ATOM 831 CA GLU A 54 72.371 -0.032 -8.649 1.00 0.00 C ATOM 832 C GLU A 54 72.508 1.496 -8.560 1.00 0.00 C ATOM 833 O GLU A 54 71.686 2.232 -9.074 1.00 0.00 O ATOM 834 CB GLU A 54 73.007 -0.580 -9.944 1.00 0.00 C ATOM 835 CG GLU A 54 72.453 0.136 -11.188 1.00 0.00 C ATOM 836 CD GLU A 54 73.112 -0.438 -12.443 1.00 0.00 C ATOM 837 OE1 GLU A 54 74.288 -0.179 -12.641 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.430 -1.127 -13.183 1.00 0.00 O ATOM 0 H GLU A 54 70.528 -0.445 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 54 72.866 -0.427 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.089 -0.454 -9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.814 -1.650 -10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.372 0.010 -11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.646 1.207 -11.120 1.00 0.00 H new ATOM 845 N VAL A 55 73.541 1.965 -7.907 1.00 0.00 N ATOM 846 CA VAL A 55 73.840 3.431 -7.909 1.00 0.00 C ATOM 847 C VAL A 55 75.023 3.703 -8.838 1.00 0.00 C ATOM 848 O VAL A 55 76.086 3.135 -8.668 1.00 0.00 O ATOM 849 CB VAL A 55 74.212 3.767 -6.457 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.564 5.259 -6.329 1.00 0.00 C ATOM 851 CG2 VAL A 55 73.025 3.454 -5.543 1.00 0.00 C ATOM 0 H VAL A 55 74.193 1.394 -7.370 1.00 0.00 H new ATOM 0 HA VAL A 55 73.000 4.031 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 55 75.076 3.169 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.826 5.484 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.410 5.490 -6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.706 5.862 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.287 3.692 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.165 4.051 -5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.776 2.395 -5.619 1.00 0.00 H new ATOM 861 N VAL A 56 74.845 4.561 -9.811 1.00 0.00 N ATOM 862 CA VAL A 56 75.998 4.969 -10.670 1.00 0.00 C ATOM 863 C VAL A 56 76.151 6.488 -10.629 1.00 0.00 C ATOM 864 O VAL A 56 75.315 7.218 -11.129 1.00 0.00 O ATOM 865 CB VAL A 56 75.673 4.500 -12.091 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.887 4.774 -12.977 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.374 2.993 -12.097 1.00 0.00 C ATOM 0 H VAL A 56 73.953 4.996 -10.047 1.00 0.00 H new ATOM 0 HA VAL A 56 76.934 4.529 -10.324 1.00 0.00 H new ATOM 0 HB VAL A 56 74.798 5.034 -12.462 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.676 4.447 -13.995 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.104 5.842 -12.977 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.749 4.229 -12.592 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.144 2.672 -13.113 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.244 2.448 -11.732 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.521 2.789 -11.450 1.00 0.00 H new ATOM 877 N LEU A 57 77.212 6.958 -10.036 1.00 0.00 N ATOM 878 CA LEU A 57 77.380 8.427 -9.835 1.00 0.00 C ATOM 879 C LEU A 57 78.746 8.885 -10.351 1.00 0.00 C ATOM 880 O LEU A 57 79.742 8.209 -10.171 1.00 0.00 O ATOM 881 CB LEU A 57 77.234 8.612 -8.325 1.00 0.00 C ATOM 882 CG LEU A 57 75.740 8.661 -7.983 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.504 8.106 -6.582 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.260 10.114 -8.025 1.00 0.00 C ATOM 0 H LEU A 57 77.976 6.385 -9.679 1.00 0.00 H new ATOM 0 HA LEU A 57 76.653 9.026 -10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.717 7.792 -7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.726 9.531 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 57 75.191 8.060 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.440 8.146 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.847 7.072 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.056 8.703 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.198 10.154 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.820 10.703 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.419 10.521 -9.023 1.00 0.00 H new ATOM 896 N LYS A 58 78.794 10.027 -10.993 1.00 0.00 N ATOM 897 CA LYS A 58 80.079 10.508 -11.592 1.00 0.00 C ATOM 898 C LYS A 58 81.024 11.018 -10.500 1.00 0.00 C ATOM 899 O LYS A 58 80.610 11.688 -9.573 1.00 0.00 O ATOM 900 CB LYS A 58 79.683 11.655 -12.525 1.00 0.00 C ATOM 901 CG LYS A 58 78.805 11.114 -13.655 1.00 0.00 C ATOM 902 CD LYS A 58 78.406 12.262 -14.585 1.00 0.00 C ATOM 903 CE LYS A 58 79.639 12.753 -15.348 1.00 0.00 C ATOM 904 NZ LYS A 58 79.125 13.161 -16.685 1.00 0.00 N ATOM 0 H LYS A 58 77.997 10.648 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 58 80.603 9.711 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.145 12.422 -11.968 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.575 12.127 -12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.344 10.349 -14.214 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.915 10.639 -13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 58 77.641 11.927 -15.286 1.00 0.00 H new ATOM 0 HD3 LYS A 58 77.974 13.079 -14.007 1.00 0.00 H new ATOM 0 HE2 LYS A 58 80.114 13.589 -14.835 1.00 0.00 H new ATOM 0 HE3 LYS A 58 80.388 11.966 -15.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.912 13.510 -17.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 78.685 12.343 -17.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 78.419 13.916 -16.570 1.00 0.00 H new ATOM 918 N CYS A 59 82.292 10.701 -10.608 1.00 0.00 N ATOM 919 CA CYS A 59 83.300 11.223 -9.625 1.00 0.00 C ATOM 920 C CYS A 59 83.250 12.757 -9.548 1.00 0.00 C ATOM 921 O CYS A 59 83.500 13.342 -8.511 1.00 0.00 O ATOM 922 CB CYS A 59 84.668 10.749 -10.146 1.00 0.00 C ATOM 923 SG CYS A 59 84.966 11.377 -11.824 1.00 0.00 S ATOM 0 H CYS A 59 82.676 10.100 -11.338 1.00 0.00 H new ATOM 0 HA CYS A 59 83.102 10.857 -8.618 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.457 11.094 -9.478 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.705 9.660 -10.148 1.00 0.00 H new ATOM 0 HG CYS A 59 86.127 10.966 -12.241 1.00 0.00 H new ATOM 929 N THR A 60 82.929 13.402 -10.644 1.00 0.00 N ATOM 930 CA THR A 60 82.891 14.900 -10.659 1.00 0.00 C ATOM 931 C THR A 60 81.792 15.416 -9.722 1.00 0.00 C ATOM 932 O THR A 60 81.871 16.520 -9.216 1.00 0.00 O ATOM 933 CB THR A 60 82.581 15.290 -12.109 1.00 0.00 C ATOM 934 OG1 THR A 60 81.322 14.749 -12.484 1.00 0.00 O ATOM 935 CG2 THR A 60 83.671 14.745 -13.036 1.00 0.00 C ATOM 0 H THR A 60 82.691 12.956 -11.530 1.00 0.00 H new ATOM 0 HA THR A 60 83.832 15.331 -10.317 1.00 0.00 H new ATOM 0 HB THR A 60 82.550 16.376 -12.193 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.121 14.999 -13.410 1.00 0.00 H new ATOM 0 HG21 THR A 60 83.446 15.025 -14.065 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.636 15.163 -12.749 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.708 13.659 -12.955 1.00 0.00 H new ATOM 943 N ASP A 61 80.774 14.623 -9.491 1.00 0.00 N ATOM 944 CA ASP A 61 79.684 15.041 -8.556 1.00 0.00 C ATOM 945 C ASP A 61 80.010 14.613 -7.118 1.00 0.00 C ATOM 946 O ASP A 61 79.461 15.146 -6.171 1.00 0.00 O ATOM 947 CB ASP A 61 78.428 14.328 -9.062 1.00 0.00 C ATOM 948 CG ASP A 61 78.084 14.815 -10.473 1.00 0.00 C ATOM 949 OD1 ASP A 61 78.389 15.956 -10.783 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.519 14.036 -11.224 1.00 0.00 O ATOM 0 H ASP A 61 80.651 13.702 -9.911 1.00 0.00 H new ATOM 0 HA ASP A 61 79.557 16.123 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.589 13.250 -9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.593 14.521 -8.388 1.00 0.00 H new ATOM 955 N ILE A 62 80.896 13.656 -6.949 1.00 0.00 N ATOM 956 CA ILE A 62 81.291 13.224 -5.570 1.00 0.00 C ATOM 957 C ILE A 62 82.319 14.203 -4.993 1.00 0.00 C ATOM 958 O ILE A 62 83.148 14.735 -5.708 1.00 0.00 O ATOM 959 CB ILE A 62 81.910 11.830 -5.746 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.881 10.882 -6.374 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.334 11.278 -4.382 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.555 9.554 -6.731 1.00 0.00 C ATOM 0 H ILE A 62 81.361 13.157 -7.707 1.00 0.00 H new ATOM 0 HA ILE A 62 80.445 13.204 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 62 82.781 11.907 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 62 80.060 10.709 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.452 11.335 -7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.773 10.289 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.069 11.945 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.462 11.207 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.822 8.882 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.361 9.735 -7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.962 9.099 -5.828 1.00 0.00 H new ATOM 974 N ARG A 63 82.266 14.441 -3.704 1.00 0.00 N ATOM 975 CA ARG A 63 83.223 15.394 -3.068 1.00 0.00 C ATOM 976 C ARG A 63 84.363 14.626 -2.392 1.00 0.00 C ATOM 977 O ARG A 63 85.487 15.094 -2.345 1.00 0.00 O ATOM 978 CB ARG A 63 82.397 16.161 -2.034 1.00 0.00 C ATOM 979 CG ARG A 63 83.254 17.265 -1.412 1.00 0.00 C ATOM 980 CD ARG A 63 83.480 18.377 -2.439 1.00 0.00 C ATOM 981 NE ARG A 63 84.362 19.373 -1.751 1.00 0.00 N ATOM 982 CZ ARG A 63 85.097 20.239 -2.429 1.00 0.00 C ATOM 983 NH1 ARG A 63 85.096 20.275 -3.744 1.00 0.00 N ATOM 984 NH2 ARG A 63 85.846 21.083 -1.774 1.00 0.00 N ATOM 0 H ARG A 63 81.597 14.013 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 63 83.682 16.065 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.515 16.593 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.043 15.481 -1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.761 17.668 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.211 16.857 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.953 17.989 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.536 18.830 -2.743 1.00 0.00 H new ATOM 0 HE ARG A 63 84.397 19.384 -0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.516 19.622 -4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.675 20.956 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.859 21.069 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.419 21.757 -2.282 1.00 0.00 H new ATOM 998 N SER A 64 84.081 13.454 -1.868 1.00 0.00 N ATOM 999 CA SER A 64 85.161 12.638 -1.226 1.00 0.00 C ATOM 1000 C SER A 64 84.744 11.166 -1.142 1.00 0.00 C ATOM 1001 O SER A 64 83.571 10.846 -1.150 1.00 0.00 O ATOM 1002 CB SER A 64 85.331 13.230 0.173 1.00 0.00 C ATOM 1003 OG SER A 64 84.192 12.910 0.959 1.00 0.00 O ATOM 0 H SER A 64 83.153 13.030 -1.858 1.00 0.00 H new ATOM 0 HA SER A 64 86.089 12.668 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 64 86.233 12.835 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 64 85.452 14.311 0.111 1.00 0.00 H new ATOM 0 HG SER A 64 84.298 13.287 1.857 1.00 0.00 H new ATOM 1009 N ILE A 65 85.702 10.272 -1.058 1.00 0.00 N ATOM 1010 CA ILE A 65 85.376 8.811 -1.016 1.00 0.00 C ATOM 1011 C ILE A 65 86.292 8.101 -0.012 1.00 0.00 C ATOM 1012 O ILE A 65 87.447 8.451 0.144 1.00 0.00 O ATOM 1013 CB ILE A 65 85.620 8.273 -2.433 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.778 9.060 -3.453 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.224 6.791 -2.482 1.00 0.00 C ATOM 1016 CD1 ILE A 65 85.094 8.586 -4.877 1.00 0.00 C ATOM 0 H ILE A 65 86.697 10.492 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 65 84.346 8.640 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 65 86.675 8.387 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.717 8.923 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.986 10.126 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.395 6.402 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.826 6.230 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.169 6.688 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.492 9.150 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 65 86.151 8.746 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.863 7.525 -4.967 1.00 0.00 H new ATOM 1028 N ASP A 66 85.775 7.105 0.665 1.00 0.00 N ATOM 1029 CA ASP A 66 86.603 6.344 1.651 1.00 0.00 C ATOM 1030 C ASP A 66 86.312 4.842 1.548 1.00 0.00 C ATOM 1031 O ASP A 66 85.189 4.417 1.742 1.00 0.00 O ATOM 1032 CB ASP A 66 86.177 6.886 3.022 1.00 0.00 C ATOM 1033 CG ASP A 66 84.678 6.652 3.251 1.00 0.00 C ATOM 1034 OD1 ASP A 66 83.893 7.131 2.449 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.342 5.998 4.224 1.00 0.00 O ATOM 0 H ASP A 66 84.810 6.785 0.576 1.00 0.00 H new ATOM 0 HA ASP A 66 87.672 6.467 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.752 6.396 3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.398 7.952 3.083 1.00 0.00 H new ATOM 1040 N LEU A 67 87.307 4.040 1.245 1.00 0.00 N ATOM 1041 CA LEU A 67 87.095 2.558 1.235 1.00 0.00 C ATOM 1042 C LEU A 67 87.094 2.019 2.667 1.00 0.00 C ATOM 1043 O LEU A 67 88.099 2.053 3.352 1.00 0.00 O ATOM 1044 CB LEU A 67 88.273 1.986 0.440 1.00 0.00 C ATOM 1045 CG LEU A 67 88.141 2.380 -1.047 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.247 3.372 -1.424 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.254 1.129 -1.933 1.00 0.00 C ATOM 0 H LEU A 67 88.250 4.346 1.006 1.00 0.00 H new ATOM 0 HA LEU A 67 86.139 2.280 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.213 2.363 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.297 0.901 0.537 1.00 0.00 H new ATOM 0 HG LEU A 67 87.168 2.846 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.148 3.646 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 67 89.160 4.266 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.221 2.911 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.160 1.415 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.222 0.655 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.460 0.428 -1.676 1.00 0.00 H new ATOM 1059 N ILE A 68 85.967 1.522 3.117 1.00 0.00 N ATOM 1060 CA ILE A 68 85.874 0.998 4.516 1.00 0.00 C ATOM 1061 C ILE A 68 86.601 -0.345 4.621 1.00 0.00 C ATOM 1062 O ILE A 68 87.256 -0.632 5.607 1.00 0.00 O ATOM 1063 CB ILE A 68 84.372 0.825 4.791 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.658 2.172 4.623 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.161 0.321 6.223 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.146 1.967 4.733 1.00 0.00 C ATOM 0 H ILE A 68 85.106 1.457 2.574 1.00 0.00 H new ATOM 0 HA ILE A 68 86.337 1.671 5.238 1.00 0.00 H new ATOM 0 HB ILE A 68 83.963 0.102 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.997 2.873 5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 68 83.907 2.609 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 68 83.094 0.200 6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.663 -0.638 6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.575 1.042 6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.639 2.925 4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.814 1.281 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.906 1.549 5.711 1.00 0.00 H new ATOM 1078 N GLU A 69 86.487 -1.166 3.605 1.00 0.00 N ATOM 1079 CA GLU A 69 87.109 -2.524 3.654 1.00 0.00 C ATOM 1080 C GLU A 69 87.813 -2.833 2.321 1.00 0.00 C ATOM 1081 O GLU A 69 87.160 -3.203 1.364 1.00 0.00 O ATOM 1082 CB GLU A 69 85.946 -3.492 3.880 1.00 0.00 C ATOM 1083 CG GLU A 69 85.259 -3.172 5.211 1.00 0.00 C ATOM 1084 CD GLU A 69 86.224 -3.447 6.366 1.00 0.00 C ATOM 1085 OE1 GLU A 69 86.760 -4.541 6.416 1.00 0.00 O ATOM 1086 OE2 GLU A 69 86.411 -2.557 7.179 1.00 0.00 O ATOM 0 H GLU A 69 85.988 -0.952 2.742 1.00 0.00 H new ATOM 0 HA GLU A 69 87.861 -2.603 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.230 -3.413 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.311 -4.519 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 69 84.944 -2.129 5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 69 84.360 -3.778 5.323 1.00 0.00 H new