USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=9 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= -0.937 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.94,f=-2.1!) USER MOD Single : A 11 CYS SG : rot -165:sc= -7.51! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.144 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=-0.98) USER MOD Single : A 32 SER OG : rot -160:sc= -1.09 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00601 USER MOD Single : A 44 ASN : amide:sc= -1.53 K(o=-1.5,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ -126:sc=-0.00353 (180deg=-0.237) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.515 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.405 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.590 -4.182 -9.741 1.00 0.00 N ATOM 102 CA ASP A 7 90.952 -4.911 -8.483 1.00 0.00 C ATOM 103 C ASP A 7 90.038 -4.471 -7.336 1.00 0.00 C ATOM 104 O ASP A 7 89.792 -5.225 -6.411 1.00 0.00 O ATOM 105 CB ASP A 7 92.409 -4.536 -8.191 1.00 0.00 C ATOM 106 CG ASP A 7 93.318 -5.057 -9.310 1.00 0.00 C ATOM 107 OD1 ASP A 7 92.974 -6.062 -9.913 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.344 -4.441 -9.545 1.00 0.00 O ATOM 0 HA ASP A 7 90.833 -5.989 -8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.505 -3.453 -8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.717 -4.958 -7.234 1.00 0.00 H new ATOM 113 N TRP A 8 89.535 -3.259 -7.388 1.00 0.00 N ATOM 114 CA TRP A 8 88.649 -2.761 -6.291 1.00 0.00 C ATOM 115 C TRP A 8 87.237 -3.348 -6.403 1.00 0.00 C ATOM 116 O TRP A 8 86.463 -3.264 -5.472 1.00 0.00 O ATOM 117 CB TRP A 8 88.607 -1.242 -6.437 1.00 0.00 C ATOM 118 CG TRP A 8 89.677 -0.540 -5.665 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.403 0.505 -6.132 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.156 -0.806 -4.311 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.307 0.905 -5.160 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.209 0.138 -4.018 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.798 -1.768 -3.295 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.890 0.132 -2.762 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.480 -1.777 -2.029 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.525 -0.829 -1.766 1.00 0.00 C ATOM 0 H TRP A 8 89.701 -2.595 -8.144 1.00 0.00 H new ATOM 0 HA TRP A 8 89.033 -3.063 -5.317 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.702 -0.983 -7.492 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.634 -0.880 -6.106 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.294 0.955 -7.108 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.966 1.675 -5.276 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.013 -2.485 -3.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.675 0.848 -2.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.205 -2.499 -1.274 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.037 -0.841 -0.815 1.00 0.00 H new ATOM 137 N ILE A 9 86.885 -3.946 -7.522 1.00 0.00 N ATOM 138 CA ILE A 9 85.464 -4.398 -7.716 1.00 0.00 C ATOM 139 C ILE A 9 85.047 -5.340 -6.573 1.00 0.00 C ATOM 140 O ILE A 9 85.762 -6.261 -6.221 1.00 0.00 O ATOM 141 CB ILE A 9 85.438 -5.124 -9.076 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.850 -4.162 -10.209 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.027 -5.654 -9.357 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.918 -2.944 -10.247 1.00 0.00 C ATOM 0 H ILE A 9 87.513 -4.139 -8.302 1.00 0.00 H new ATOM 0 HA ILE A 9 84.763 -3.563 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 9 86.143 -5.954 -9.036 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.879 -3.835 -10.060 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.816 -4.683 -11.166 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.016 -6.166 -10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.737 -6.352 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.324 -4.822 -9.380 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.224 -2.277 -11.053 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.894 -3.275 -10.419 1.00 0.00 H new ATOM 0 HD13 ILE A 9 84.973 -2.414 -9.296 1.00 0.00 H new ATOM 156 N GLY A 10 83.893 -5.104 -6.003 1.00 0.00 N ATOM 157 CA GLY A 10 83.427 -5.926 -4.849 1.00 0.00 C ATOM 158 C GLY A 10 83.990 -5.411 -3.513 1.00 0.00 C ATOM 159 O GLY A 10 83.691 -5.971 -2.472 1.00 0.00 O ATOM 0 H GLY A 10 83.248 -4.369 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.338 -5.915 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.731 -6.963 -4.995 1.00 0.00 H new ATOM 163 N CYS A 11 84.795 -4.361 -3.513 1.00 0.00 N ATOM 164 CA CYS A 11 85.318 -3.826 -2.209 1.00 0.00 C ATOM 165 C CYS A 11 84.282 -2.889 -1.557 1.00 0.00 C ATOM 166 O CYS A 11 83.449 -2.315 -2.233 1.00 0.00 O ATOM 167 CB CYS A 11 86.668 -3.122 -2.533 1.00 0.00 C ATOM 168 SG CYS A 11 86.459 -1.444 -3.216 1.00 0.00 S ATOM 0 H CYS A 11 85.106 -3.862 -4.347 1.00 0.00 H new ATOM 0 HA CYS A 11 85.489 -4.616 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.268 -3.065 -1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.225 -3.730 -3.245 1.00 0.00 H new ATOM 0 HG CYS A 11 87.577 -1.051 -3.751 1.00 0.00 H new ATOM 174 N ALA A 12 84.337 -2.740 -0.258 1.00 0.00 N ATOM 175 CA ALA A 12 83.299 -1.935 0.458 1.00 0.00 C ATOM 176 C ALA A 12 83.744 -0.477 0.565 1.00 0.00 C ATOM 177 O ALA A 12 84.763 -0.184 1.163 1.00 0.00 O ATOM 178 CB ALA A 12 83.207 -2.565 1.848 1.00 0.00 C ATOM 0 H ALA A 12 85.058 -3.142 0.340 1.00 0.00 H new ATOM 0 HA ALA A 12 82.340 -1.939 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.464 -2.031 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.914 -3.611 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.177 -2.503 2.341 1.00 0.00 H new ATOM 184 N VAL A 13 82.990 0.435 -0.005 1.00 0.00 N ATOM 185 CA VAL A 13 83.401 1.873 0.020 1.00 0.00 C ATOM 186 C VAL A 13 82.213 2.772 0.378 1.00 0.00 C ATOM 187 O VAL A 13 81.066 2.396 0.214 1.00 0.00 O ATOM 188 CB VAL A 13 83.909 2.176 -1.397 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.102 1.274 -1.714 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.796 1.921 -2.422 1.00 0.00 C ATOM 0 H VAL A 13 82.110 0.244 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 13 84.167 2.062 0.772 1.00 0.00 H new ATOM 0 HB VAL A 13 84.212 3.222 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.463 1.488 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.900 1.460 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.795 0.230 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.167 2.139 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.485 0.878 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.944 2.565 -2.202 1.00 0.00 H new ATOM 200 N SER A 14 82.490 3.956 0.866 1.00 0.00 N ATOM 201 CA SER A 14 81.402 4.934 1.150 1.00 0.00 C ATOM 202 C SER A 14 81.644 6.211 0.351 1.00 0.00 C ATOM 203 O SER A 14 82.770 6.652 0.209 1.00 0.00 O ATOM 204 CB SER A 14 81.491 5.208 2.651 1.00 0.00 C ATOM 205 OG SER A 14 80.575 6.237 2.997 1.00 0.00 O ATOM 0 H SER A 14 83.431 4.286 1.080 1.00 0.00 H new ATOM 0 HA SER A 14 80.417 4.560 0.871 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.265 4.301 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.505 5.504 2.919 1.00 0.00 H new ATOM 0 HG SER A 14 80.629 6.413 3.960 1.00 0.00 H new ATOM 211 N ILE A 15 80.600 6.803 -0.171 1.00 0.00 N ATOM 212 CA ILE A 15 80.779 7.963 -1.096 1.00 0.00 C ATOM 213 C ILE A 15 80.032 9.180 -0.556 1.00 0.00 C ATOM 214 O ILE A 15 78.833 9.134 -0.340 1.00 0.00 O ATOM 215 CB ILE A 15 80.175 7.531 -2.448 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.705 6.145 -2.894 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.541 8.570 -3.513 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.237 6.115 -2.888 1.00 0.00 C ATOM 0 H ILE A 15 79.632 6.533 0.003 1.00 0.00 H new ATOM 0 HA ILE A 15 81.830 8.235 -1.197 1.00 0.00 H new ATOM 0 HB ILE A 15 79.094 7.460 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.320 5.373 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.337 5.916 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.118 8.272 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.140 9.542 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.626 8.636 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.583 5.131 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.618 6.872 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.601 6.321 -1.881 1.00 0.00 H new ATOM 230 N ALA A 16 80.733 10.265 -0.343 1.00 0.00 N ATOM 231 CA ALA A 16 80.071 11.517 0.118 1.00 0.00 C ATOM 232 C ALA A 16 79.842 12.443 -1.075 1.00 0.00 C ATOM 233 O ALA A 16 80.777 12.986 -1.634 1.00 0.00 O ATOM 234 CB ALA A 16 81.050 12.145 1.109 1.00 0.00 C ATOM 0 H ALA A 16 81.743 10.335 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 16 79.100 11.334 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.632 13.075 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.224 11.456 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.994 12.353 0.606 1.00 0.00 H new ATOM 240 N CYS A 17 78.608 12.618 -1.470 1.00 0.00 N ATOM 241 CA CYS A 17 78.288 13.537 -2.603 1.00 0.00 C ATOM 242 C CYS A 17 77.907 14.912 -2.054 1.00 0.00 C ATOM 243 O CYS A 17 77.663 15.064 -0.871 1.00 0.00 O ATOM 244 CB CYS A 17 77.097 12.908 -3.339 1.00 0.00 C ATOM 245 SG CYS A 17 77.506 11.228 -3.889 1.00 0.00 S ATOM 0 H CYS A 17 77.799 12.158 -1.051 1.00 0.00 H new ATOM 0 HA CYS A 17 79.138 13.669 -3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.229 12.880 -2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.827 13.523 -4.198 1.00 0.00 H new ATOM 0 HG CYS A 17 76.485 10.713 -4.507 1.00 0.00 H new ATOM 251 N ASP A 18 77.852 15.913 -2.900 1.00 0.00 N ATOM 252 CA ASP A 18 77.531 17.297 -2.417 1.00 0.00 C ATOM 253 C ASP A 18 76.154 17.306 -1.737 1.00 0.00 C ATOM 254 O ASP A 18 75.412 16.346 -1.805 1.00 0.00 O ATOM 255 CB ASP A 18 77.536 18.185 -3.664 1.00 0.00 C ATOM 256 CG ASP A 18 78.936 18.206 -4.286 1.00 0.00 C ATOM 257 OD1 ASP A 18 79.899 18.058 -3.548 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.023 18.369 -5.492 1.00 0.00 O ATOM 0 H ASP A 18 78.015 15.833 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 18 78.252 17.654 -1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 18 76.812 17.812 -4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.231 19.198 -3.401 1.00 0.00 H new ATOM 263 N GLU A 19 75.815 18.389 -1.084 1.00 0.00 N ATOM 264 CA GLU A 19 74.657 18.375 -0.126 1.00 0.00 C ATOM 265 C GLU A 19 73.371 17.868 -0.793 1.00 0.00 C ATOM 266 O GLU A 19 72.563 17.212 -0.162 1.00 0.00 O ATOM 267 CB GLU A 19 74.481 19.831 0.316 1.00 0.00 C ATOM 268 CG GLU A 19 75.708 20.279 1.122 1.00 0.00 C ATOM 269 CD GLU A 19 75.834 19.449 2.409 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.832 18.912 2.856 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.937 19.365 2.925 1.00 0.00 O ATOM 0 H GLU A 19 76.290 19.288 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 19 74.852 17.703 0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.352 20.473 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.580 19.931 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.609 20.166 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 19 75.622 21.337 1.371 1.00 0.00 H new ATOM 278 N VAL A 20 73.178 18.163 -2.056 1.00 0.00 N ATOM 279 CA VAL A 20 71.901 17.768 -2.735 1.00 0.00 C ATOM 280 C VAL A 20 71.898 16.259 -3.026 1.00 0.00 C ATOM 281 O VAL A 20 70.851 15.646 -3.134 1.00 0.00 O ATOM 282 CB VAL A 20 71.866 18.579 -4.038 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.596 18.248 -4.827 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.878 20.075 -3.709 1.00 0.00 C ATOM 0 H VAL A 20 73.847 18.659 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 20 71.027 17.969 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 20 72.740 18.325 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.579 18.828 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.583 17.185 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.720 18.496 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.853 20.651 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.005 20.322 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.784 20.318 -3.154 1.00 0.00 H new ATOM 294 N LEU A 21 73.058 15.660 -3.152 1.00 0.00 N ATOM 295 CA LEU A 21 73.134 14.195 -3.441 1.00 0.00 C ATOM 296 C LEU A 21 73.192 13.367 -2.145 1.00 0.00 C ATOM 297 O LEU A 21 72.950 12.174 -2.161 1.00 0.00 O ATOM 298 CB LEU A 21 74.425 14.039 -4.237 1.00 0.00 C ATOM 299 CG LEU A 21 74.277 14.718 -5.601 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.613 14.669 -6.343 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.213 13.987 -6.426 1.00 0.00 C ATOM 0 H LEU A 21 73.961 16.127 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 21 72.257 13.838 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.257 14.481 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.656 12.982 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 21 73.976 15.756 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.508 15.152 -7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.373 15.189 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 21 75.912 13.631 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.109 14.472 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.513 12.949 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.259 14.020 -5.900 1.00 0.00 H new ATOM 313 N GLY A 22 73.509 13.986 -1.029 1.00 0.00 N ATOM 314 CA GLY A 22 73.582 13.236 0.263 1.00 0.00 C ATOM 315 C GLY A 22 74.710 12.201 0.213 1.00 0.00 C ATOM 316 O GLY A 22 75.698 12.374 -0.478 1.00 0.00 O ATOM 0 H GLY A 22 73.720 14.982 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.753 13.931 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.631 12.739 0.457 1.00 0.00 H new ATOM 320 N VAL A 23 74.569 11.122 0.948 1.00 0.00 N ATOM 321 CA VAL A 23 75.673 10.113 1.038 1.00 0.00 C ATOM 322 C VAL A 23 75.117 8.706 0.817 1.00 0.00 C ATOM 323 O VAL A 23 74.040 8.383 1.287 1.00 0.00 O ATOM 324 CB VAL A 23 76.233 10.236 2.463 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.422 9.281 2.637 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.693 11.674 2.722 1.00 0.00 C ATOM 0 H VAL A 23 73.735 10.897 1.490 1.00 0.00 H new ATOM 0 HA VAL A 23 76.441 10.287 0.284 1.00 0.00 H new ATOM 0 HB VAL A 23 75.450 9.975 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.816 9.371 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.093 8.256 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.202 9.537 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.089 11.753 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.471 11.942 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.847 12.352 2.609 1.00 0.00 H new ATOM 336 N PHE A 24 75.843 7.869 0.111 1.00 0.00 N ATOM 337 CA PHE A 24 75.428 6.438 -0.003 1.00 0.00 C ATOM 338 C PHE A 24 76.622 5.516 0.272 1.00 0.00 C ATOM 339 O PHE A 24 77.764 5.916 0.169 1.00 0.00 O ATOM 340 CB PHE A 24 74.910 6.244 -1.436 1.00 0.00 C ATOM 341 CG PHE A 24 75.974 6.349 -2.511 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.702 5.176 -2.898 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.272 7.613 -3.125 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.721 5.262 -3.904 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.294 7.697 -4.128 1.00 0.00 C ATOM 346 CZ PHE A 24 78.016 6.522 -4.518 1.00 0.00 C ATOM 0 H PHE A 24 76.699 8.115 -0.387 1.00 0.00 H new ATOM 0 HA PHE A 24 74.655 6.191 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.435 5.265 -1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.138 6.988 -1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.483 4.227 -2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.728 8.498 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.266 4.377 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.520 8.647 -4.590 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.783 6.587 -5.275 1.00 0.00 H new ATOM 356 N GLN A 25 76.352 4.286 0.621 1.00 0.00 N ATOM 357 CA GLN A 25 77.446 3.294 0.843 1.00 0.00 C ATOM 358 C GLN A 25 77.065 1.964 0.191 1.00 0.00 C ATOM 359 O GLN A 25 75.902 1.602 0.148 1.00 0.00 O ATOM 360 CB GLN A 25 77.551 3.151 2.361 1.00 0.00 C ATOM 361 CG GLN A 25 77.940 4.501 2.972 1.00 0.00 C ATOM 362 CD GLN A 25 78.024 4.388 4.497 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.034 3.302 5.046 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.081 5.478 5.214 1.00 0.00 N ATOM 0 H GLN A 25 75.410 3.922 0.763 1.00 0.00 H new ATOM 0 HA GLN A 25 78.396 3.605 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.600 2.813 2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.295 2.396 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.900 4.827 2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.206 5.258 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.073 6.390 4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.134 5.417 6.231 1.00 0.00 H new ATOM 373 N GLY A 26 78.032 1.237 -0.318 1.00 0.00 N ATOM 374 CA GLY A 26 77.717 -0.023 -1.056 1.00 0.00 C ATOM 375 C GLY A 26 79.009 -0.726 -1.468 1.00 0.00 C ATOM 376 O GLY A 26 80.089 -0.174 -1.357 1.00 0.00 O ATOM 0 H GLY A 26 79.024 1.464 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.119 -0.683 -0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.119 0.203 -1.939 1.00 0.00 H new ATOM 380 N LEU A 27 78.901 -1.945 -1.936 1.00 0.00 N ATOM 381 CA LEU A 27 80.090 -2.637 -2.517 1.00 0.00 C ATOM 382 C LEU A 27 80.178 -2.344 -4.017 1.00 0.00 C ATOM 383 O LEU A 27 79.194 -2.398 -4.730 1.00 0.00 O ATOM 384 CB LEU A 27 79.847 -4.127 -2.274 1.00 0.00 C ATOM 385 CG LEU A 27 79.899 -4.416 -0.774 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.330 -5.810 -0.502 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.356 -4.359 -0.294 1.00 0.00 C ATOM 0 H LEU A 27 78.039 -2.490 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 27 81.025 -2.304 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.877 -4.418 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.600 -4.718 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 27 79.308 -3.671 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.367 -6.016 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.296 -5.854 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.921 -6.555 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.395 -4.565 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.945 -5.104 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.764 -3.367 -0.488 1.00 0.00 H new ATOM 399 N ILE A 28 81.357 -2.037 -4.490 1.00 0.00 N ATOM 400 CA ILE A 28 81.529 -1.665 -5.930 1.00 0.00 C ATOM 401 C ILE A 28 81.228 -2.870 -6.831 1.00 0.00 C ATOM 402 O ILE A 28 81.631 -3.982 -6.550 1.00 0.00 O ATOM 403 CB ILE A 28 83.003 -1.236 -6.058 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.250 -0.016 -5.158 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.337 -0.884 -7.517 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.736 0.353 -5.182 1.00 0.00 C ATOM 0 H ILE A 28 82.215 -2.027 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 28 80.849 -0.870 -6.237 1.00 0.00 H new ATOM 0 HB ILE A 28 83.644 -2.061 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.651 0.828 -5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.937 -0.236 -4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.382 -0.583 -7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.166 -1.755 -8.150 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.700 -0.064 -7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.906 1.219 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.326 -0.488 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.035 0.592 -6.203 1.00 0.00 H new ATOM 418 N LYS A 29 80.516 -2.645 -7.906 1.00 0.00 N ATOM 419 CA LYS A 29 80.308 -3.724 -8.917 1.00 0.00 C ATOM 420 C LYS A 29 81.138 -3.429 -10.170 1.00 0.00 C ATOM 421 O LYS A 29 81.593 -4.332 -10.848 1.00 0.00 O ATOM 422 CB LYS A 29 78.813 -3.689 -9.238 1.00 0.00 C ATOM 423 CG LYS A 29 78.468 -4.836 -10.189 1.00 0.00 C ATOM 424 CD LYS A 29 78.475 -6.157 -9.419 1.00 0.00 C ATOM 425 CE LYS A 29 78.060 -7.296 -10.353 1.00 0.00 C ATOM 426 NZ LYS A 29 77.295 -8.239 -9.490 1.00 0.00 N ATOM 0 H LYS A 29 80.068 -1.756 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 29 80.617 -4.703 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.231 -3.776 -8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.550 -2.734 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.488 -4.669 -10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 29 79.189 -4.875 -11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 29 79.469 -6.349 -9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.791 -6.100 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.448 -6.929 -11.176 1.00 0.00 H new ATOM 0 HE3 LYS A 29 78.930 -7.782 -10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 76.975 -9.049 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.906 -8.577 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.469 -7.750 -9.089 1.00 0.00 H new ATOM 440 N GLN A 30 81.335 -2.170 -10.477 1.00 0.00 N ATOM 441 CA GLN A 30 82.154 -1.793 -11.672 1.00 0.00 C ATOM 442 C GLN A 30 82.779 -0.414 -11.449 1.00 0.00 C ATOM 443 O GLN A 30 82.239 0.407 -10.733 1.00 0.00 O ATOM 444 CB GLN A 30 81.184 -1.749 -12.861 1.00 0.00 C ATOM 445 CG GLN A 30 80.715 -3.163 -13.220 1.00 0.00 C ATOM 446 CD GLN A 30 79.872 -3.112 -14.498 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.317 -2.085 -14.836 1.00 0.00 O ATOM 448 NE2 GLN A 30 79.752 -4.188 -15.228 1.00 0.00 N ATOM 0 H GLN A 30 80.961 -1.382 -9.948 1.00 0.00 H new ATOM 0 HA GLN A 30 82.961 -2.503 -11.850 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.325 -1.125 -12.615 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.673 -1.292 -13.721 1.00 0.00 H new ATOM 0 HG2 GLN A 30 81.575 -3.817 -13.365 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.129 -3.582 -12.402 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.217 -5.051 -14.945 1.00 0.00 H new ATOM 0 HE22 GLN A 30 79.193 -4.166 -16.081 1.00 0.00 H new ATOM 457 N ILE A 31 83.914 -0.157 -12.056 1.00 0.00 N ATOM 458 CA ILE A 31 84.572 1.177 -11.895 1.00 0.00 C ATOM 459 C ILE A 31 85.145 1.641 -13.236 1.00 0.00 C ATOM 460 O ILE A 31 85.740 0.873 -13.969 1.00 0.00 O ATOM 461 CB ILE A 31 85.690 0.982 -10.858 1.00 0.00 C ATOM 462 CG1 ILE A 31 85.087 0.471 -9.539 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.404 2.322 -10.612 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.198 0.210 -8.516 1.00 0.00 C ATOM 0 H ILE A 31 84.412 -0.814 -12.656 1.00 0.00 H new ATOM 0 HA ILE A 31 83.866 1.940 -11.565 1.00 0.00 H new ATOM 0 HB ILE A 31 86.408 0.253 -11.234 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.384 1.204 -9.144 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.525 -0.446 -9.718 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.196 2.182 -9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.835 2.681 -11.546 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.687 3.053 -10.238 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.759 -0.151 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.885 -0.540 -8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.741 1.135 -8.325 1.00 0.00 H new ATOM 476 N SER A 32 84.964 2.897 -13.553 1.00 0.00 N ATOM 477 CA SER A 32 85.581 3.471 -14.784 1.00 0.00 C ATOM 478 C SER A 32 85.953 4.933 -14.533 1.00 0.00 C ATOM 479 O SER A 32 85.403 5.577 -13.660 1.00 0.00 O ATOM 480 CB SER A 32 84.506 3.365 -15.864 1.00 0.00 C ATOM 481 OG SER A 32 83.402 4.186 -15.509 1.00 0.00 O ATOM 0 H SER A 32 84.409 3.555 -13.005 1.00 0.00 H new ATOM 0 HA SER A 32 86.491 2.948 -15.078 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.910 3.676 -16.827 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.184 2.329 -15.972 1.00 0.00 H new ATOM 0 HG SER A 32 82.606 3.894 -16.000 1.00 0.00 H new ATOM 487 N ALA A 33 86.872 5.463 -15.298 1.00 0.00 N ATOM 488 CA ALA A 33 87.442 6.816 -14.982 1.00 0.00 C ATOM 489 C ALA A 33 86.336 7.876 -14.870 1.00 0.00 C ATOM 490 O ALA A 33 86.511 8.887 -14.212 1.00 0.00 O ATOM 491 CB ALA A 33 88.373 7.146 -16.151 1.00 0.00 C ATOM 0 H ALA A 33 87.256 5.019 -16.132 1.00 0.00 H new ATOM 0 HA ALA A 33 87.964 6.811 -14.025 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.827 8.124 -15.990 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.155 6.389 -16.218 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.801 7.161 -17.079 1.00 0.00 H new ATOM 497 N GLU A 34 85.207 7.655 -15.501 1.00 0.00 N ATOM 498 CA GLU A 34 84.150 8.716 -15.544 1.00 0.00 C ATOM 499 C GLU A 34 83.109 8.525 -14.424 1.00 0.00 C ATOM 500 O GLU A 34 82.432 9.463 -14.043 1.00 0.00 O ATOM 501 CB GLU A 34 83.511 8.603 -16.944 1.00 0.00 C ATOM 502 CG GLU A 34 82.711 7.298 -17.088 1.00 0.00 C ATOM 503 CD GLU A 34 82.188 7.178 -18.521 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.977 7.351 -19.435 1.00 0.00 O ATOM 505 OE2 GLU A 34 81.008 6.914 -18.679 1.00 0.00 O ATOM 0 H GLU A 34 84.972 6.789 -15.986 1.00 0.00 H new ATOM 0 HA GLU A 34 84.571 9.708 -15.378 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.854 9.456 -17.117 1.00 0.00 H new ATOM 0 HB3 GLU A 34 84.290 8.641 -17.706 1.00 0.00 H new ATOM 0 HG2 GLU A 34 83.342 6.443 -16.847 1.00 0.00 H new ATOM 0 HG3 GLU A 34 81.879 7.289 -16.384 1.00 0.00 H new ATOM 512 N GLU A 35 82.979 7.327 -13.896 1.00 0.00 N ATOM 513 CA GLU A 35 81.894 7.058 -12.900 1.00 0.00 C ATOM 514 C GLU A 35 82.250 5.861 -12.008 1.00 0.00 C ATOM 515 O GLU A 35 83.038 5.013 -12.375 1.00 0.00 O ATOM 516 CB GLU A 35 80.642 6.768 -13.738 1.00 0.00 C ATOM 517 CG GLU A 35 80.882 5.548 -14.639 1.00 0.00 C ATOM 518 CD GLU A 35 79.686 5.344 -15.580 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.595 5.771 -15.236 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.885 4.761 -16.633 1.00 0.00 O ATOM 0 H GLU A 35 83.576 6.529 -14.112 1.00 0.00 H new ATOM 0 HA GLU A 35 81.744 7.902 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.791 6.584 -13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.393 7.637 -14.347 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.793 5.689 -15.221 1.00 0.00 H new ATOM 0 HG3 GLU A 35 81.030 4.658 -14.027 1.00 0.00 H new ATOM 527 N ILE A 36 81.667 5.798 -10.836 1.00 0.00 N ATOM 528 CA ILE A 36 81.796 4.573 -9.985 1.00 0.00 C ATOM 529 C ILE A 36 80.424 3.903 -9.847 1.00 0.00 C ATOM 530 O ILE A 36 79.419 4.574 -9.688 1.00 0.00 O ATOM 531 CB ILE A 36 82.287 5.075 -8.619 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.609 5.852 -8.773 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.499 3.882 -7.683 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.690 4.961 -9.401 1.00 0.00 C ATOM 0 H ILE A 36 81.105 6.546 -10.430 1.00 0.00 H new ATOM 0 HA ILE A 36 82.481 3.840 -10.411 1.00 0.00 H new ATOM 0 HB ILE A 36 81.535 5.744 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.449 6.732 -9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.944 6.207 -7.798 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.847 4.238 -6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.558 3.347 -7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.243 3.211 -8.112 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.616 5.528 -9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.863 4.094 -8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.360 4.628 -10.385 1.00 0.00 H new ATOM 546 N THR A 37 80.373 2.591 -9.908 1.00 0.00 N ATOM 547 CA THR A 37 79.054 1.885 -9.869 1.00 0.00 C ATOM 548 C THR A 37 79.038 0.844 -8.742 1.00 0.00 C ATOM 549 O THR A 37 79.958 0.060 -8.604 1.00 0.00 O ATOM 550 CB THR A 37 78.934 1.200 -11.231 1.00 0.00 C ATOM 551 OG1 THR A 37 79.062 2.171 -12.260 1.00 0.00 O ATOM 552 CG2 THR A 37 77.573 0.512 -11.341 1.00 0.00 C ATOM 0 H THR A 37 81.187 1.982 -9.983 1.00 0.00 H new ATOM 0 HA THR A 37 78.227 2.569 -9.679 1.00 0.00 H new ATOM 0 HB THR A 37 79.723 0.455 -11.334 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.987 1.734 -13.134 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.489 0.024 -12.312 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.477 -0.233 -10.551 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.781 1.254 -11.238 1.00 0.00 H new ATOM 560 N ILE A 38 77.995 0.829 -7.946 1.00 0.00 N ATOM 561 CA ILE A 38 77.924 -0.132 -6.793 1.00 0.00 C ATOM 562 C ILE A 38 76.534 -0.775 -6.718 1.00 0.00 C ATOM 563 O ILE A 38 75.619 -0.382 -7.416 1.00 0.00 O ATOM 564 CB ILE A 38 78.192 0.692 -5.523 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.193 1.857 -5.446 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.632 1.232 -5.530 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.915 2.204 -3.985 1.00 0.00 C ATOM 0 H ILE A 38 77.186 1.442 -8.044 1.00 0.00 H new ATOM 0 HA ILE A 38 78.652 -0.935 -6.907 1.00 0.00 H new ATOM 0 HB ILE A 38 78.067 0.051 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.594 2.727 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.264 1.586 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.807 1.813 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.333 0.398 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.778 1.868 -6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.206 3.031 -3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.495 1.335 -3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.845 2.494 -3.497 1.00 0.00 H new ATOM 579 N VAL A 39 76.377 -1.756 -5.864 1.00 0.00 N ATOM 580 CA VAL A 39 75.074 -2.492 -5.772 1.00 0.00 C ATOM 581 C VAL A 39 74.591 -2.552 -4.317 1.00 0.00 C ATOM 582 O VAL A 39 75.346 -2.316 -3.396 1.00 0.00 O ATOM 583 CB VAL A 39 75.350 -3.897 -6.318 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.781 -3.792 -7.782 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.464 -4.567 -5.505 1.00 0.00 C ATOM 0 H VAL A 39 77.099 -2.082 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 39 74.288 -1.994 -6.340 1.00 0.00 H new ATOM 0 HB VAL A 39 74.444 -4.497 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.979 -4.789 -8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.986 -3.324 -8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.686 -3.188 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.653 -5.565 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.374 -3.971 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.158 -4.642 -4.462 1.00 0.00 H new ATOM 595 N ARG A 40 73.328 -2.862 -4.114 1.00 0.00 N ATOM 596 CA ARG A 40 72.719 -2.809 -2.739 1.00 0.00 C ATOM 597 C ARG A 40 72.887 -1.408 -2.143 1.00 0.00 C ATOM 598 O ARG A 40 73.601 -1.209 -1.179 1.00 0.00 O ATOM 599 CB ARG A 40 73.453 -3.860 -1.891 1.00 0.00 C ATOM 600 CG ARG A 40 73.322 -5.236 -2.550 1.00 0.00 C ATOM 601 CD ARG A 40 71.859 -5.681 -2.516 1.00 0.00 C ATOM 602 NE ARG A 40 71.869 -7.079 -3.054 1.00 0.00 N ATOM 603 CZ ARG A 40 72.310 -8.098 -2.337 1.00 0.00 C ATOM 604 NH1 ARG A 40 72.759 -7.944 -1.110 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.296 -9.293 -2.860 1.00 0.00 N ATOM 0 H ARG A 40 72.685 -3.153 -4.851 1.00 0.00 H new ATOM 0 HA ARG A 40 71.650 -3.020 -2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.505 -3.592 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.035 -3.886 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.676 -5.193 -3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 40 73.946 -5.962 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.460 -5.651 -1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.233 -5.028 -3.124 1.00 0.00 H new ATOM 0 HE ARG A 40 71.526 -7.249 -3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 40 72.774 -7.017 -0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 40 73.092 -8.752 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 40 71.948 -9.430 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 40 72.633 -10.090 -2.320 1.00 0.00 H new ATOM 619 N ALA A 41 72.222 -0.442 -2.723 1.00 0.00 N ATOM 620 CA ALA A 41 72.434 0.984 -2.315 1.00 0.00 C ATOM 621 C ALA A 41 71.884 1.255 -0.908 1.00 0.00 C ATOM 622 O ALA A 41 70.727 1.006 -0.615 1.00 0.00 O ATOM 623 CB ALA A 41 71.659 1.809 -3.345 1.00 0.00 C ATOM 0 H ALA A 41 71.537 -0.578 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 41 73.495 1.233 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.764 2.869 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 41 72.055 1.612 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.605 1.534 -3.313 1.00 0.00 H new ATOM 629 N PHE A 42 72.715 1.770 -0.038 1.00 0.00 N ATOM 630 CA PHE A 42 72.215 2.322 1.256 1.00 0.00 C ATOM 631 C PHE A 42 72.462 3.833 1.289 1.00 0.00 C ATOM 632 O PHE A 42 73.529 4.292 0.934 1.00 0.00 O ATOM 633 CB PHE A 42 73.028 1.616 2.346 1.00 0.00 C ATOM 634 CG PHE A 42 72.401 0.331 2.846 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.541 -0.893 2.104 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.666 0.337 4.079 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.945 -2.102 2.595 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.071 -0.873 4.568 1.00 0.00 C ATOM 639 CZ PHE A 42 71.210 -2.092 3.826 1.00 0.00 C ATOM 0 H PHE A 42 73.725 1.832 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 42 71.146 2.159 1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.023 1.396 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.157 2.297 3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.095 -0.902 1.177 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.561 1.254 4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.050 -3.021 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.518 -0.866 5.496 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.761 -3.003 4.194 1.00 0.00 H new ATOM 649 N ARG A 43 71.490 4.603 1.711 1.00 0.00 N ATOM 650 CA ARG A 43 71.638 6.092 1.688 1.00 0.00 C ATOM 651 C ARG A 43 71.149 6.692 3.007 1.00 0.00 C ATOM 652 O ARG A 43 70.197 6.220 3.595 1.00 0.00 O ATOM 653 CB ARG A 43 70.756 6.559 0.530 1.00 0.00 C ATOM 654 CG ARG A 43 70.936 8.065 0.328 1.00 0.00 C ATOM 655 CD ARG A 43 70.001 8.545 -0.785 1.00 0.00 C ATOM 656 NE ARG A 43 70.334 9.993 -0.980 1.00 0.00 N ATOM 657 CZ ARG A 43 69.484 10.834 -1.543 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.301 10.447 -1.972 1.00 0.00 N ATOM 659 NH2 ARG A 43 69.829 12.085 -1.683 1.00 0.00 N ATOM 0 H ARG A 43 70.598 4.264 2.071 1.00 0.00 H new ATOM 0 HA ARG A 43 72.676 6.402 1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.021 6.024 -0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.711 6.332 0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.718 8.596 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.971 8.287 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.157 7.978 -1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 43 68.956 8.416 -0.504 1.00 0.00 H new ATOM 0 HE ARG A 43 71.242 10.339 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 43 68.017 9.472 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 43 67.669 11.122 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 43 70.743 12.401 -1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 43 69.184 12.747 -2.116 1.00 0.00 H new ATOM 673 N ASN A 44 71.801 7.729 3.482 1.00 0.00 N ATOM 674 CA ASN A 44 71.365 8.400 4.756 1.00 0.00 C ATOM 675 C ASN A 44 71.227 7.381 5.899 1.00 0.00 C ATOM 676 O ASN A 44 70.309 7.451 6.695 1.00 0.00 O ATOM 677 CB ASN A 44 70.008 9.042 4.443 1.00 0.00 C ATOM 678 CG ASN A 44 70.160 10.043 3.294 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.367 10.054 2.374 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.153 10.890 3.307 1.00 0.00 N ATOM 0 H ASN A 44 72.622 8.143 3.041 1.00 0.00 H new ATOM 0 HA ASN A 44 72.097 9.138 5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.285 8.272 4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.621 9.547 5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.262 11.560 2.545 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.820 10.882 4.079 1.00 0.00 H new ATOM 687 N GLY A 45 72.134 6.440 5.979 1.00 0.00 N ATOM 688 CA GLY A 45 72.128 5.467 7.115 1.00 0.00 C ATOM 689 C GLY A 45 70.835 4.639 7.123 1.00 0.00 C ATOM 690 O GLY A 45 70.452 4.100 8.144 1.00 0.00 O ATOM 0 H GLY A 45 72.884 6.303 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.989 4.803 7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.226 6.004 8.059 1.00 0.00 H new ATOM 694 N VAL A 46 70.162 4.533 5.999 1.00 0.00 N ATOM 695 CA VAL A 46 68.958 3.650 5.918 1.00 0.00 C ATOM 696 C VAL A 46 68.901 2.971 4.532 1.00 0.00 C ATOM 697 O VAL A 46 69.395 3.520 3.569 1.00 0.00 O ATOM 698 CB VAL A 46 67.766 4.596 6.143 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.439 3.858 5.925 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.815 5.108 7.581 1.00 0.00 C ATOM 0 H VAL A 46 70.397 5.022 5.135 1.00 0.00 H new ATOM 0 HA VAL A 46 68.965 2.844 6.652 1.00 0.00 H new ATOM 0 HB VAL A 46 67.829 5.422 5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.609 4.545 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.398 3.477 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.366 3.027 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.976 5.781 7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.755 4.265 8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.750 5.644 7.745 1.00 0.00 H new ATOM 710 N PRO A 47 68.302 1.794 4.464 1.00 0.00 N ATOM 711 CA PRO A 47 68.296 1.032 3.188 1.00 0.00 C ATOM 712 C PRO A 47 67.385 1.717 2.164 1.00 0.00 C ATOM 713 O PRO A 47 66.321 2.201 2.502 1.00 0.00 O ATOM 714 CB PRO A 47 67.745 -0.349 3.570 1.00 0.00 C ATOM 715 CG PRO A 47 67.651 -0.362 5.066 1.00 0.00 C ATOM 716 CD PRO A 47 67.585 1.067 5.522 1.00 0.00 C ATOM 0 HA PRO A 47 69.284 0.969 2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.768 -0.517 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.402 -1.142 3.214 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.767 -0.910 5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.515 -0.865 5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.555 1.411 5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.059 1.201 6.494 1.00 0.00 H new ATOM 724 N LEU A 48 67.798 1.761 0.917 1.00 0.00 N ATOM 725 CA LEU A 48 66.915 2.331 -0.148 1.00 0.00 C ATOM 726 C LEU A 48 65.844 1.313 -0.549 1.00 0.00 C ATOM 727 O LEU A 48 66.056 0.116 -0.479 1.00 0.00 O ATOM 728 CB LEU A 48 67.848 2.638 -1.322 1.00 0.00 C ATOM 729 CG LEU A 48 68.863 3.707 -0.898 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.907 3.912 -2.007 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.125 5.026 -0.631 1.00 0.00 C ATOM 0 H LEU A 48 68.706 1.427 0.594 1.00 0.00 H new ATOM 0 HA LEU A 48 66.387 3.224 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.367 1.732 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.271 2.988 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 48 69.373 3.381 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.623 4.673 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.431 2.974 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.408 4.235 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.842 5.789 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.614 5.347 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.394 4.880 0.165 1.00 0.00 H new ATOM 743 N ARG A 49 64.695 1.784 -0.971 1.00 0.00 N ATOM 744 CA ARG A 49 63.555 0.855 -1.280 1.00 0.00 C ATOM 745 C ARG A 49 63.968 -0.180 -2.332 1.00 0.00 C ATOM 746 O ARG A 49 63.548 -1.323 -2.282 1.00 0.00 O ATOM 747 CB ARG A 49 62.437 1.749 -1.825 1.00 0.00 C ATOM 748 CG ARG A 49 61.977 2.715 -0.731 1.00 0.00 C ATOM 749 CD ARG A 49 60.781 3.526 -1.238 1.00 0.00 C ATOM 750 NE ARG A 49 60.550 4.576 -0.195 1.00 0.00 N ATOM 751 CZ ARG A 49 59.386 5.195 -0.075 1.00 0.00 C ATOM 752 NH1 ARG A 49 58.369 4.924 -0.863 1.00 0.00 N ATOM 753 NH2 ARG A 49 59.245 6.101 0.854 1.00 0.00 N ATOM 0 H ARG A 49 64.494 2.774 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 49 63.240 0.299 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.793 2.307 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 49 61.599 1.138 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.701 2.161 0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 49 62.792 3.383 -0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.992 3.975 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 49 59.901 2.895 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 49 61.310 4.821 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 49 58.464 4.218 -1.593 1.00 0.00 H new ATOM 0 HH12 ARG A 49 57.485 5.419 -0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 49 60.025 6.322 1.473 1.00 0.00 H new ATOM 0 HH22 ARG A 49 58.355 6.588 0.961 1.00 0.00 H new ATOM 767 N LYS A 50 64.784 0.212 -3.280 1.00 0.00 N ATOM 768 CA LYS A 50 65.232 -0.747 -4.336 1.00 0.00 C ATOM 769 C LYS A 50 66.546 -1.413 -3.919 1.00 0.00 C ATOM 770 O LYS A 50 67.620 -0.919 -4.211 1.00 0.00 O ATOM 771 CB LYS A 50 65.436 0.108 -5.587 1.00 0.00 C ATOM 772 CG LYS A 50 64.103 0.736 -6.000 1.00 0.00 C ATOM 773 CD LYS A 50 64.281 1.495 -7.316 1.00 0.00 C ATOM 774 CE LYS A 50 62.984 2.232 -7.659 1.00 0.00 C ATOM 775 NZ LYS A 50 62.060 1.176 -8.158 1.00 0.00 N ATOM 0 H LYS A 50 65.159 1.156 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 50 64.510 -1.546 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 50 66.172 0.888 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.828 -0.504 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.344 -0.038 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.752 1.414 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 50 65.104 2.205 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.540 0.802 -8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.573 2.735 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 50 63.154 2.998 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 61.698 1.446 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.571 0.273 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 61.264 1.070 -7.497 1.00 0.00 H new ATOM 789 N GLN A 51 66.461 -2.529 -3.239 1.00 0.00 N ATOM 790 CA GLN A 51 67.702 -3.240 -2.789 1.00 0.00 C ATOM 791 C GLN A 51 68.533 -3.677 -3.998 1.00 0.00 C ATOM 792 O GLN A 51 69.748 -3.610 -3.983 1.00 0.00 O ATOM 793 CB GLN A 51 67.212 -4.462 -2.008 1.00 0.00 C ATOM 794 CG GLN A 51 68.406 -5.158 -1.345 1.00 0.00 C ATOM 795 CD GLN A 51 67.925 -6.366 -0.529 1.00 0.00 C ATOM 796 OE1 GLN A 51 66.742 -6.545 -0.312 1.00 0.00 O ATOM 797 NE2 GLN A 51 68.805 -7.210 -0.064 1.00 0.00 N ATOM 0 H GLN A 51 65.586 -2.981 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 51 68.338 -2.599 -2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 51 66.489 -4.157 -1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 51 66.700 -5.153 -2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 51 69.116 -5.482 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 51 68.932 -4.457 -0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 51 69.798 -7.063 -0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 51 68.500 -8.017 0.480 1.00 0.00 H new ATOM 806 N ASN A 52 67.880 -4.123 -5.044 1.00 0.00 N ATOM 807 CA ASN A 52 68.622 -4.623 -6.245 1.00 0.00 C ATOM 808 C ASN A 52 68.952 -3.482 -7.223 1.00 0.00 C ATOM 809 O ASN A 52 69.522 -3.721 -8.274 1.00 0.00 O ATOM 810 CB ASN A 52 67.671 -5.626 -6.899 1.00 0.00 C ATOM 811 CG ASN A 52 67.400 -6.786 -5.937 1.00 0.00 C ATOM 812 OD1 ASN A 52 68.178 -7.045 -5.040 1.00 0.00 O ATOM 813 ND2 ASN A 52 66.317 -7.501 -6.086 1.00 0.00 N ATOM 0 H ASN A 52 66.863 -4.163 -5.118 1.00 0.00 H new ATOM 0 HA ASN A 52 69.578 -5.067 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.735 -5.134 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 52 68.106 -6.003 -7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 52 66.125 -8.275 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 52 65.663 -7.285 -6.838 1.00 0.00 H new ATOM 820 N ALA A 53 68.607 -2.251 -6.899 1.00 0.00 N ATOM 821 CA ALA A 53 68.892 -1.118 -7.835 1.00 0.00 C ATOM 822 C ALA A 53 70.381 -0.763 -7.798 1.00 0.00 C ATOM 823 O ALA A 53 70.981 -0.685 -6.741 1.00 0.00 O ATOM 824 CB ALA A 53 68.050 0.054 -7.325 1.00 0.00 C ATOM 0 H ALA A 53 68.143 -1.988 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 53 68.648 -1.371 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.209 0.922 -7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 53 66.995 -0.221 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.345 0.297 -6.304 1.00 0.00 H new ATOM 830 N GLU A 54 70.974 -0.548 -8.946 1.00 0.00 N ATOM 831 CA GLU A 54 72.418 -0.161 -8.993 1.00 0.00 C ATOM 832 C GLU A 54 72.566 1.367 -8.903 1.00 0.00 C ATOM 833 O GLU A 54 71.788 2.106 -9.478 1.00 0.00 O ATOM 834 CB GLU A 54 72.948 -0.706 -10.336 1.00 0.00 C ATOM 835 CG GLU A 54 72.311 0.030 -11.531 1.00 0.00 C ATOM 836 CD GLU A 54 72.830 -0.561 -12.848 1.00 0.00 C ATOM 837 OE1 GLU A 54 73.925 -1.103 -12.850 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.119 -0.462 -13.836 1.00 0.00 O ATOM 0 H GLU A 54 70.519 -0.624 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 54 72.982 -0.571 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.032 -0.595 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.734 -1.772 -10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.225 -0.058 -11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.547 1.093 -11.482 1.00 0.00 H new ATOM 845 N VAL A 55 73.559 1.834 -8.188 1.00 0.00 N ATOM 846 CA VAL A 55 73.817 3.308 -8.117 1.00 0.00 C ATOM 847 C VAL A 55 75.018 3.652 -8.996 1.00 0.00 C ATOM 848 O VAL A 55 76.092 3.106 -8.820 1.00 0.00 O ATOM 849 CB VAL A 55 74.140 3.593 -6.644 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.414 5.089 -6.448 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.955 3.184 -5.765 1.00 0.00 C ATOM 0 H VAL A 55 74.205 1.257 -7.648 1.00 0.00 H new ATOM 0 HA VAL A 55 72.968 3.898 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 55 75.023 3.020 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.642 5.283 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.261 5.388 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.533 5.661 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.189 3.388 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.072 3.753 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.759 2.119 -5.891 1.00 0.00 H new ATOM 861 N VAL A 56 74.845 4.547 -9.938 1.00 0.00 N ATOM 862 CA VAL A 56 76.002 4.982 -10.778 1.00 0.00 C ATOM 863 C VAL A 56 76.163 6.497 -10.681 1.00 0.00 C ATOM 864 O VAL A 56 75.323 7.250 -11.139 1.00 0.00 O ATOM 865 CB VAL A 56 75.680 4.565 -12.216 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.894 4.865 -13.091 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.377 3.063 -12.279 1.00 0.00 C ATOM 0 H VAL A 56 73.955 4.993 -10.160 1.00 0.00 H new ATOM 0 HA VAL A 56 76.935 4.527 -10.445 1.00 0.00 H new ATOM 0 HB VAL A 56 74.807 5.116 -12.566 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.682 4.574 -14.120 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.115 5.932 -13.054 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.754 4.304 -12.725 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.150 2.780 -13.307 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.245 2.502 -11.932 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.521 2.838 -11.643 1.00 0.00 H new ATOM 877 N LEU A 57 77.236 6.939 -10.086 1.00 0.00 N ATOM 878 CA LEU A 57 77.406 8.397 -9.819 1.00 0.00 C ATOM 879 C LEU A 57 78.763 8.880 -10.339 1.00 0.00 C ATOM 880 O LEU A 57 79.782 8.251 -10.117 1.00 0.00 O ATOM 881 CB LEU A 57 77.290 8.504 -8.300 1.00 0.00 C ATOM 882 CG LEU A 57 75.803 8.574 -7.931 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.576 7.948 -6.559 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.363 10.038 -7.883 1.00 0.00 C ATOM 0 H LEU A 57 78.007 6.350 -9.771 1.00 0.00 H new ATOM 0 HA LEU A 57 76.669 9.023 -10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.759 7.644 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.812 9.391 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 57 75.225 8.031 -8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.517 8.002 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.892 6.905 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.156 8.489 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.306 10.092 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.950 10.570 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.519 10.497 -8.859 1.00 0.00 H new ATOM 896 N LYS A 58 78.777 9.992 -11.033 1.00 0.00 N ATOM 897 CA LYS A 58 80.050 10.492 -11.642 1.00 0.00 C ATOM 898 C LYS A 58 80.960 11.094 -10.569 1.00 0.00 C ATOM 899 O LYS A 58 80.500 11.727 -9.637 1.00 0.00 O ATOM 900 CB LYS A 58 79.621 11.571 -12.640 1.00 0.00 C ATOM 901 CG LYS A 58 78.780 10.936 -13.748 1.00 0.00 C ATOM 902 CD LYS A 58 78.446 11.991 -14.806 1.00 0.00 C ATOM 903 CE LYS A 58 77.505 11.388 -15.851 1.00 0.00 C ATOM 904 NZ LYS A 58 76.766 12.549 -16.418 1.00 0.00 N ATOM 0 H LYS A 58 77.959 10.577 -11.205 1.00 0.00 H new ATOM 0 HA LYS A 58 80.612 9.690 -12.121 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.046 12.345 -12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.499 12.056 -13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.325 10.109 -14.203 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.862 10.522 -13.330 1.00 0.00 H new ATOM 0 HD2 LYS A 58 77.978 12.856 -14.337 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.360 12.343 -15.285 1.00 0.00 H new ATOM 0 HE2 LYS A 58 78.061 10.858 -16.624 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.823 10.668 -15.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 76.100 12.216 -17.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 76.241 13.030 -15.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 77.441 13.214 -16.847 1.00 0.00 H new ATOM 918 N CYS A 59 82.251 10.898 -10.698 1.00 0.00 N ATOM 919 CA CYS A 59 83.221 11.512 -9.728 1.00 0.00 C ATOM 920 C CYS A 59 83.025 13.034 -9.646 1.00 0.00 C ATOM 921 O CYS A 59 83.234 13.639 -8.609 1.00 0.00 O ATOM 922 CB CYS A 59 84.620 11.174 -10.274 1.00 0.00 C ATOM 923 SG CYS A 59 84.827 11.833 -11.954 1.00 0.00 S ATOM 0 H CYS A 59 82.679 10.338 -11.435 1.00 0.00 H new ATOM 0 HA CYS A 59 83.076 11.126 -8.719 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.383 11.591 -9.617 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.762 10.093 -10.281 1.00 0.00 H new ATOM 0 HG CYS A 59 86.015 11.538 -12.393 1.00 0.00 H new ATOM 929 N THR A 60 82.624 13.646 -10.733 1.00 0.00 N ATOM 930 CA THR A 60 82.415 15.130 -10.736 1.00 0.00 C ATOM 931 C THR A 60 81.276 15.504 -9.782 1.00 0.00 C ATOM 932 O THR A 60 81.240 16.597 -9.247 1.00 0.00 O ATOM 933 CB THR A 60 82.045 15.493 -12.178 1.00 0.00 C ATOM 934 OG1 THR A 60 80.852 14.816 -12.543 1.00 0.00 O ATOM 935 CG2 THR A 60 83.178 15.083 -13.123 1.00 0.00 C ATOM 0 H THR A 60 82.432 13.182 -11.621 1.00 0.00 H new ATOM 0 HA THR A 60 83.304 15.666 -10.403 1.00 0.00 H new ATOM 0 HB THR A 60 81.890 16.570 -12.251 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.613 15.048 -13.465 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.910 15.343 -14.147 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.092 15.606 -12.843 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.339 14.007 -13.052 1.00 0.00 H new ATOM 943 N ASP A 61 80.349 14.602 -9.569 1.00 0.00 N ATOM 944 CA ASP A 61 79.241 14.867 -8.602 1.00 0.00 C ATOM 945 C ASP A 61 79.650 14.418 -7.193 1.00 0.00 C ATOM 946 O ASP A 61 79.132 14.907 -6.206 1.00 0.00 O ATOM 947 CB ASP A 61 78.057 14.041 -9.112 1.00 0.00 C ATOM 948 CG ASP A 61 77.636 14.537 -10.500 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.814 15.714 -10.773 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.140 13.728 -11.268 1.00 0.00 O ATOM 0 H ASP A 61 80.313 13.691 -10.026 1.00 0.00 H new ATOM 0 HA ASP A 61 78.995 15.927 -8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.331 12.987 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.220 14.121 -8.418 1.00 0.00 H new ATOM 955 N ILE A 62 80.574 13.491 -7.096 1.00 0.00 N ATOM 956 CA ILE A 62 81.073 13.052 -5.756 1.00 0.00 C ATOM 957 C ILE A 62 82.116 14.048 -5.238 1.00 0.00 C ATOM 958 O ILE A 62 82.893 14.594 -6.000 1.00 0.00 O ATOM 959 CB ILE A 62 81.709 11.674 -5.993 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.657 10.709 -6.551 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.247 11.120 -4.669 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.333 9.415 -7.014 1.00 0.00 C ATOM 0 H ILE A 62 81.005 13.019 -7.891 1.00 0.00 H new ATOM 0 HA ILE A 62 80.278 13.004 -5.012 1.00 0.00 H new ATOM 0 HB ILE A 62 82.527 11.776 -6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.912 10.487 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.130 11.173 -7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.698 10.142 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 62 82.998 11.801 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.428 11.022 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.581 8.733 -7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.061 9.643 -7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.839 8.947 -6.170 1.00 0.00 H new ATOM 974 N ARG A 63 82.132 14.285 -3.950 1.00 0.00 N ATOM 975 CA ARG A 63 83.113 15.250 -3.367 1.00 0.00 C ATOM 976 C ARG A 63 84.286 14.494 -2.736 1.00 0.00 C ATOM 977 O ARG A 63 85.408 14.967 -2.747 1.00 0.00 O ATOM 978 CB ARG A 63 82.331 16.021 -2.304 1.00 0.00 C ATOM 979 CG ARG A 63 83.218 17.119 -1.713 1.00 0.00 C ATOM 980 CD ARG A 63 83.410 18.233 -2.745 1.00 0.00 C ATOM 981 NE ARG A 63 84.345 19.205 -2.095 1.00 0.00 N ATOM 982 CZ ARG A 63 85.647 18.983 -2.033 1.00 0.00 C ATOM 983 NH1 ARG A 63 86.194 17.898 -2.539 1.00 0.00 N ATOM 984 NH2 ARG A 63 86.413 19.866 -1.452 1.00 0.00 N ATOM 0 H ARG A 63 81.504 13.849 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 63 83.535 15.916 -4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.435 16.460 -2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.001 15.343 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.762 17.522 -0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.184 16.705 -1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.828 17.844 -3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.461 18.706 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 63 83.968 20.061 -1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 63 85.610 17.198 -2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 63 87.202 17.757 -2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.005 20.712 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 63 87.419 19.710 -1.396 1.00 0.00 H new ATOM 998 N SER A 64 84.035 13.327 -2.189 1.00 0.00 N ATOM 999 CA SER A 64 85.147 12.524 -1.586 1.00 0.00 C ATOM 1000 C SER A 64 84.735 11.056 -1.440 1.00 0.00 C ATOM 1001 O SER A 64 83.563 10.736 -1.389 1.00 0.00 O ATOM 1002 CB SER A 64 85.393 13.152 -0.215 1.00 0.00 C ATOM 1003 OG SER A 64 84.297 12.855 0.641 1.00 0.00 O ATOM 0 H SER A 64 83.111 12.897 -2.134 1.00 0.00 H new ATOM 0 HA SER A 64 86.042 12.536 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 64 86.319 12.767 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 64 85.511 14.231 -0.312 1.00 0.00 H new ATOM 0 HG SER A 64 84.452 13.255 1.522 1.00 0.00 H new ATOM 1009 N ILE A 65 85.697 10.166 -1.370 1.00 0.00 N ATOM 1010 CA ILE A 65 85.377 8.708 -1.256 1.00 0.00 C ATOM 1011 C ILE A 65 86.341 8.038 -0.270 1.00 0.00 C ATOM 1012 O ILE A 65 87.483 8.439 -0.136 1.00 0.00 O ATOM 1013 CB ILE A 65 85.553 8.114 -2.661 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.654 8.854 -3.664 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.171 6.628 -2.630 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.911 8.326 -5.079 1.00 0.00 C ATOM 0 H ILE A 65 86.692 10.388 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 65 84.364 8.549 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 65 86.592 8.224 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.606 8.715 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.853 9.925 -3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.294 6.200 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.816 6.101 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.132 6.526 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.271 8.854 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.956 8.488 -5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.689 7.259 -5.115 1.00 0.00 H new ATOM 1028 N ASP A 66 85.882 7.023 0.416 1.00 0.00 N ATOM 1029 CA ASP A 66 86.765 6.286 1.372 1.00 0.00 C ATOM 1030 C ASP A 66 86.559 4.773 1.234 1.00 0.00 C ATOM 1031 O ASP A 66 85.445 4.291 1.288 1.00 0.00 O ATOM 1032 CB ASP A 66 86.335 6.768 2.764 1.00 0.00 C ATOM 1033 CG ASP A 66 84.851 6.458 3.002 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.028 7.049 2.323 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.568 5.637 3.857 1.00 0.00 O ATOM 0 H ASP A 66 84.927 6.670 0.355 1.00 0.00 H new ATOM 0 HA ASP A 66 87.822 6.475 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.942 6.282 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.508 7.840 2.854 1.00 0.00 H new ATOM 1040 N LEU A 67 87.623 4.027 1.055 1.00 0.00 N ATOM 1041 CA LEU A 67 87.502 2.534 1.036 1.00 0.00 C ATOM 1042 C LEU A 67 87.334 2.009 2.465 1.00 0.00 C ATOM 1043 O LEU A 67 88.234 2.112 3.279 1.00 0.00 O ATOM 1044 CB LEU A 67 88.821 2.034 0.436 1.00 0.00 C ATOM 1045 CG LEU A 67 88.694 1.930 -1.090 1.00 0.00 C ATOM 1046 CD1 LEU A 67 90.003 2.377 -1.746 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.407 0.477 -1.485 1.00 0.00 C ATOM 0 H LEU A 67 88.568 4.386 0.921 1.00 0.00 H new ATOM 0 HA LEU A 67 86.640 2.194 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.631 2.716 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 67 89.076 1.061 0.856 1.00 0.00 H new ATOM 0 HG LEU A 67 87.878 2.570 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.911 2.302 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.214 3.410 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.817 1.737 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.317 0.406 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.224 -0.160 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.476 0.151 -1.022 1.00 0.00 H new ATOM 1059 N ILE A 68 86.190 1.449 2.772 1.00 0.00 N ATOM 1060 CA ILE A 68 85.938 0.946 4.161 1.00 0.00 C ATOM 1061 C ILE A 68 86.713 -0.355 4.396 1.00 0.00 C ATOM 1062 O ILE A 68 87.477 -0.470 5.335 1.00 0.00 O ATOM 1063 CB ILE A 68 84.425 0.699 4.238 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.674 2.005 3.956 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.053 0.198 5.637 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.171 1.724 3.871 1.00 0.00 C ATOM 0 H ILE A 68 85.417 1.318 2.120 1.00 0.00 H new ATOM 0 HA ILE A 68 86.266 1.655 4.921 1.00 0.00 H new ATOM 0 HB ILE A 68 84.149 -0.050 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.875 2.730 4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.026 2.444 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.978 0.024 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.581 -0.733 5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.334 0.946 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.638 2.653 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.978 1.014 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.825 1.304 4.816 1.00 0.00 H new ATOM 1078 N GLU A 69 86.514 -1.330 3.544 1.00 0.00 N ATOM 1079 CA GLU A 69 87.188 -2.651 3.730 1.00 0.00 C ATOM 1080 C GLU A 69 87.721 -3.174 2.382 1.00 0.00 C ATOM 1081 O GLU A 69 87.047 -3.048 1.379 1.00 0.00 O ATOM 1082 CB GLU A 69 86.100 -3.578 4.272 1.00 0.00 C ATOM 1083 CG GLU A 69 85.910 -3.323 5.768 1.00 0.00 C ATOM 1084 CD GLU A 69 86.805 -4.275 6.565 1.00 0.00 C ATOM 1085 OE1 GLU A 69 87.977 -4.366 6.240 1.00 0.00 O ATOM 1086 OE2 GLU A 69 86.303 -4.895 7.487 1.00 0.00 O ATOM 0 H GLU A 69 85.911 -1.267 2.724 1.00 0.00 H new ATOM 0 HA GLU A 69 88.042 -2.586 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.164 -3.406 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.376 -4.619 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.158 -2.289 6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 69 84.866 -3.472 6.044 1.00 0.00 H new