USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 486 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 379 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 380 THR OG1 : rot 180:sc= 0 USER MOD Single : A 358 THR OG1 : rot 101:sc= 0.794 USER MOD Single : A 360 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 362 TYR OH : rot 180:sc= 0 USER MOD Single : A 371 THR OG1 : rot -18:sc= -1 USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 MET CE :methyl -124:sc= -11.3! (180deg=-17.2!) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 ASN : amide:sc= -2.37! C(o=-2.4!,f=-2.8!) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 354 -11.919 3.865 -17.582 1.00 0.00 N ATOM 44 CA ALA A 354 -11.831 2.402 -17.320 1.00 0.00 C ATOM 45 C ALA A 354 -10.461 2.069 -16.724 1.00 0.00 C ATOM 46 O ALA A 354 -10.339 1.219 -15.863 1.00 0.00 O ATOM 47 CB ALA A 354 -12.012 1.639 -18.634 1.00 0.00 C ATOM 0 HA ALA A 354 -12.612 2.112 -16.617 1.00 0.00 H new ATOM 0 HB1 ALA A 354 -11.948 0.568 -18.444 1.00 0.00 H new ATOM 0 HB2 ALA A 354 -12.987 1.874 -19.060 1.00 0.00 H new ATOM 0 HB3 ALA A 354 -11.230 1.931 -19.335 1.00 0.00 H new ATOM 53 N ALA A 355 -9.430 2.726 -17.177 1.00 0.00 N ATOM 54 CA ALA A 355 -8.070 2.442 -16.638 1.00 0.00 C ATOM 55 C ALA A 355 -8.010 2.834 -15.161 1.00 0.00 C ATOM 56 O ALA A 355 -7.325 2.215 -14.372 1.00 0.00 O ATOM 57 CB ALA A 355 -7.032 3.246 -17.424 1.00 0.00 C ATOM 0 H ALA A 355 -9.470 3.447 -17.897 1.00 0.00 H new ATOM 0 HA ALA A 355 -7.856 1.378 -16.737 1.00 0.00 H new ATOM 0 HB1 ALA A 355 -6.037 3.039 -17.030 1.00 0.00 H new ATOM 0 HB2 ALA A 355 -7.072 2.962 -18.476 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -7.246 4.310 -17.327 1.00 0.00 H new ATOM 63 N ILE A 356 -8.723 3.857 -14.780 1.00 0.00 N ATOM 64 CA ILE A 356 -8.708 4.284 -13.353 1.00 0.00 C ATOM 65 C ILE A 356 -9.468 3.260 -12.513 1.00 0.00 C ATOM 66 O ILE A 356 -9.030 2.862 -11.451 1.00 0.00 O ATOM 67 CB ILE A 356 -9.377 5.654 -13.220 1.00 0.00 C ATOM 68 CG1 ILE A 356 -8.684 6.652 -14.151 1.00 0.00 C ATOM 69 CG2 ILE A 356 -9.261 6.141 -11.775 1.00 0.00 C ATOM 70 CD1 ILE A 356 -7.168 6.542 -13.976 1.00 0.00 C ATOM 0 H ILE A 356 -9.315 4.416 -15.395 1.00 0.00 H new ATOM 0 HA ILE A 356 -7.678 4.352 -13.003 1.00 0.00 H new ATOM 0 HB ILE A 356 -10.429 5.572 -13.492 1.00 0.00 H new ATOM 0 HG12 ILE A 356 -8.957 6.450 -15.187 1.00 0.00 H new ATOM 0 HG13 ILE A 356 -9.015 7.666 -13.926 1.00 0.00 H new ATOM 0 HG21 ILE A 356 -9.738 7.117 -11.681 1.00 0.00 H new ATOM 0 HG22 ILE A 356 -9.754 5.431 -11.111 1.00 0.00 H new ATOM 0 HG23 ILE A 356 -8.209 6.223 -11.502 1.00 0.00 H new ATOM 0 HD11 ILE A 356 -6.673 7.252 -14.638 1.00 0.00 H new ATOM 0 HD12 ILE A 356 -6.904 6.765 -12.942 1.00 0.00 H new ATOM 0 HD13 ILE A 356 -6.846 5.530 -14.223 1.00 0.00 H new ATOM 82 N ASP A 357 -10.602 2.827 -12.983 1.00 0.00 N ATOM 83 CA ASP A 357 -11.390 1.823 -12.217 1.00 0.00 C ATOM 84 C ASP A 357 -10.674 0.474 -12.273 1.00 0.00 C ATOM 85 O ASP A 357 -10.619 -0.251 -11.300 1.00 0.00 O ATOM 86 CB ASP A 357 -12.784 1.689 -12.833 1.00 0.00 C ATOM 87 CG ASP A 357 -13.564 2.988 -12.618 1.00 0.00 C ATOM 88 OD1 ASP A 357 -13.115 3.802 -11.828 1.00 0.00 O ATOM 89 OD2 ASP A 357 -14.596 3.147 -13.249 1.00 0.00 O ATOM 0 H ASP A 357 -11.018 3.125 -13.865 1.00 0.00 H new ATOM 0 HA ASP A 357 -11.484 2.145 -11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 357 -12.703 1.473 -13.898 1.00 0.00 H new ATOM 0 HB3 ASP A 357 -13.316 0.853 -12.378 1.00 0.00 H new ATOM 94 N THR A 358 -10.116 0.133 -13.403 1.00 0.00 N ATOM 95 CA THR A 358 -9.398 -1.166 -13.512 1.00 0.00 C ATOM 96 C THR A 358 -8.365 -1.255 -12.391 1.00 0.00 C ATOM 97 O THR A 358 -8.387 -2.159 -11.581 1.00 0.00 O ATOM 98 CB THR A 358 -8.692 -1.252 -14.868 1.00 0.00 C ATOM 99 OG1 THR A 358 -9.638 -1.038 -15.906 1.00 0.00 O ATOM 100 CG2 THR A 358 -8.057 -2.633 -15.029 1.00 0.00 C ATOM 0 H THR A 358 -10.127 0.697 -14.253 1.00 0.00 H new ATOM 0 HA THR A 358 -10.108 -1.988 -13.427 1.00 0.00 H new ATOM 0 HB THR A 358 -7.914 -0.490 -14.922 1.00 0.00 H new ATOM 0 HG1 THR A 358 -9.559 -0.119 -16.236 1.00 0.00 H new ATOM 0 HG21 THR A 358 -7.555 -2.692 -15.995 1.00 0.00 H new ATOM 0 HG22 THR A 358 -7.331 -2.795 -14.232 1.00 0.00 H new ATOM 0 HG23 THR A 358 -8.831 -3.398 -14.975 1.00 0.00 H new ATOM 108 N PHE A 359 -7.470 -0.312 -12.331 1.00 0.00 N ATOM 109 CA PHE A 359 -6.445 -0.328 -11.252 1.00 0.00 C ATOM 110 C PHE A 359 -7.161 -0.402 -9.904 1.00 0.00 C ATOM 111 O PHE A 359 -6.772 -1.139 -9.019 1.00 0.00 O ATOM 112 CB PHE A 359 -5.614 0.954 -11.318 1.00 0.00 C ATOM 113 CG PHE A 359 -4.813 0.985 -12.601 1.00 0.00 C ATOM 114 CD1 PHE A 359 -4.671 -0.176 -13.375 1.00 0.00 C ATOM 115 CD2 PHE A 359 -4.211 2.179 -13.016 1.00 0.00 C ATOM 116 CE1 PHE A 359 -3.929 -0.138 -14.561 1.00 0.00 C ATOM 117 CE2 PHE A 359 -3.469 2.215 -14.202 1.00 0.00 C ATOM 118 CZ PHE A 359 -3.328 1.057 -14.975 1.00 0.00 C ATOM 0 H PHE A 359 -7.403 0.470 -12.982 1.00 0.00 H new ATOM 0 HA PHE A 359 -5.786 -1.188 -11.374 1.00 0.00 H new ATOM 0 HB2 PHE A 359 -6.268 1.824 -11.267 1.00 0.00 H new ATOM 0 HB3 PHE A 359 -4.944 1.008 -10.460 1.00 0.00 H new ATOM 0 HD1 PHE A 359 -5.134 -1.098 -13.056 1.00 0.00 H new ATOM 0 HD2 PHE A 359 -4.319 3.073 -12.420 1.00 0.00 H new ATOM 0 HE1 PHE A 359 -3.820 -1.032 -15.158 1.00 0.00 H new ATOM 0 HE2 PHE A 359 -3.005 3.137 -14.521 1.00 0.00 H new ATOM 0 HZ PHE A 359 -2.756 1.085 -15.891 1.00 0.00 H new ATOM 128 N THR A 360 -8.215 0.353 -9.750 1.00 0.00 N ATOM 129 CA THR A 360 -8.972 0.328 -8.468 1.00 0.00 C ATOM 130 C THR A 360 -9.620 -1.045 -8.296 1.00 0.00 C ATOM 131 O THR A 360 -9.801 -1.526 -7.194 1.00 0.00 O ATOM 132 CB THR A 360 -10.063 1.402 -8.501 1.00 0.00 C ATOM 133 OG1 THR A 360 -9.515 2.617 -8.993 1.00 0.00 O ATOM 134 CG2 THR A 360 -10.607 1.618 -7.089 1.00 0.00 C ATOM 0 H THR A 360 -8.584 0.987 -10.459 1.00 0.00 H new ATOM 0 HA THR A 360 -8.294 0.523 -7.637 1.00 0.00 H new ATOM 0 HB THR A 360 -10.873 1.080 -9.155 1.00 0.00 H new ATOM 0 HG1 THR A 360 -9.663 2.675 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 360 -11.384 2.382 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 360 -11.027 0.685 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 360 -9.799 1.941 -6.433 1.00 0.00 H new ATOM 142 N LYS A 361 -9.970 -1.680 -9.379 1.00 0.00 N ATOM 143 CA LYS A 361 -10.606 -3.021 -9.286 1.00 0.00 C ATOM 144 C LYS A 361 -9.529 -4.081 -9.054 1.00 0.00 C ATOM 145 O LYS A 361 -9.748 -5.070 -8.384 1.00 0.00 O ATOM 146 CB LYS A 361 -11.342 -3.329 -10.591 1.00 0.00 C ATOM 147 CG LYS A 361 -11.785 -4.793 -10.589 1.00 0.00 C ATOM 148 CD LYS A 361 -12.260 -5.186 -11.989 1.00 0.00 C ATOM 149 CE LYS A 361 -13.043 -6.498 -11.908 1.00 0.00 C ATOM 150 NZ LYS A 361 -14.503 -6.204 -11.832 1.00 0.00 N ATOM 0 H LYS A 361 -9.842 -1.326 -10.327 1.00 0.00 H new ATOM 0 HA LYS A 361 -11.313 -3.029 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 361 -12.208 -2.675 -10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 361 -10.691 -3.135 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 361 -10.958 -5.433 -10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 361 -12.588 -4.940 -9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 361 -12.889 -4.399 -12.406 1.00 0.00 H new ATOM 0 HD3 LYS A 361 -11.406 -5.300 -12.657 1.00 0.00 H new ATOM 0 HE2 LYS A 361 -12.831 -7.115 -12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 361 -12.730 -7.067 -11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 361 -15.034 -7.096 -11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 361 -14.698 -5.632 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 361 -14.796 -5.678 -12.680 1.00 0.00 H new ATOM 164 N TYR A 362 -8.369 -3.887 -9.616 1.00 0.00 N ATOM 165 CA TYR A 362 -7.280 -4.889 -9.446 1.00 0.00 C ATOM 166 C TYR A 362 -6.274 -4.405 -8.401 1.00 0.00 C ATOM 167 O TYR A 362 -6.098 -5.011 -7.363 1.00 0.00 O ATOM 168 CB TYR A 362 -6.569 -5.079 -10.785 1.00 0.00 C ATOM 169 CG TYR A 362 -7.478 -5.834 -11.725 1.00 0.00 C ATOM 170 CD1 TYR A 362 -8.373 -5.134 -12.544 1.00 0.00 C ATOM 171 CD2 TYR A 362 -7.431 -7.233 -11.775 1.00 0.00 C ATOM 172 CE1 TYR A 362 -9.221 -5.832 -13.412 1.00 0.00 C ATOM 173 CE2 TYR A 362 -8.279 -7.931 -12.644 1.00 0.00 C ATOM 174 CZ TYR A 362 -9.173 -7.230 -13.463 1.00 0.00 C ATOM 175 OH TYR A 362 -10.011 -7.918 -14.319 1.00 0.00 O ATOM 0 H TYR A 362 -8.127 -3.077 -10.187 1.00 0.00 H new ATOM 0 HA TYR A 362 -7.708 -5.834 -9.111 1.00 0.00 H new ATOM 0 HB2 TYR A 362 -6.307 -4.111 -11.212 1.00 0.00 H new ATOM 0 HB3 TYR A 362 -5.638 -5.627 -10.642 1.00 0.00 H new ATOM 0 HD1 TYR A 362 -8.409 -4.055 -12.506 1.00 0.00 H new ATOM 0 HD2 TYR A 362 -6.741 -7.773 -11.144 1.00 0.00 H new ATOM 0 HE1 TYR A 362 -9.912 -5.292 -14.042 1.00 0.00 H new ATOM 0 HE2 TYR A 362 -8.244 -9.010 -12.683 1.00 0.00 H new ATOM 0 HH TYR A 362 -9.849 -8.881 -14.232 1.00 0.00 H new ATOM 185 N LEU A 363 -5.600 -3.325 -8.677 1.00 0.00 N ATOM 186 CA LEU A 363 -4.588 -2.805 -7.715 1.00 0.00 C ATOM 187 C LEU A 363 -5.245 -2.505 -6.365 1.00 0.00 C ATOM 188 O LEU A 363 -4.575 -2.325 -5.368 1.00 0.00 O ATOM 189 CB LEU A 363 -3.970 -1.531 -8.290 1.00 0.00 C ATOM 190 CG LEU A 363 -3.497 -1.812 -9.717 1.00 0.00 C ATOM 191 CD1 LEU A 363 -3.013 -0.516 -10.364 1.00 0.00 C ATOM 192 CD2 LEU A 363 -2.354 -2.828 -9.683 1.00 0.00 C ATOM 0 H LEU A 363 -5.706 -2.777 -9.531 1.00 0.00 H new ATOM 0 HA LEU A 363 -3.812 -3.555 -7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 363 -4.701 -0.723 -8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 363 -3.133 -1.206 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 363 -4.325 -2.216 -10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 363 -2.677 -0.720 -11.381 1.00 0.00 H new ATOM 0 HD12 LEU A 363 -3.830 0.205 -10.390 1.00 0.00 H new ATOM 0 HD13 LEU A 363 -2.186 -0.106 -9.784 1.00 0.00 H new ATOM 0 HD21 LEU A 363 -2.016 -3.029 -10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 363 -1.527 -2.426 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 363 -2.704 -3.754 -9.227 1.00 0.00 H new ATOM 204 N ASP A 364 -6.547 -2.455 -6.318 1.00 0.00 N ATOM 205 CA ASP A 364 -7.233 -2.172 -5.024 1.00 0.00 C ATOM 206 C ASP A 364 -6.778 -0.813 -4.488 1.00 0.00 C ATOM 207 O ASP A 364 -6.345 -0.690 -3.359 1.00 0.00 O ATOM 208 CB ASP A 364 -6.881 -3.264 -4.011 1.00 0.00 C ATOM 209 CG ASP A 364 -7.443 -4.604 -4.489 1.00 0.00 C ATOM 210 OD1 ASP A 364 -8.274 -4.590 -5.383 1.00 0.00 O ATOM 211 OD2 ASP A 364 -7.035 -5.621 -3.954 1.00 0.00 O ATOM 0 H ASP A 364 -7.165 -2.597 -7.117 1.00 0.00 H new ATOM 0 HA ASP A 364 -8.311 -2.156 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 364 -5.799 -3.332 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -7.292 -3.014 -3.033 1.00 0.00 H new ATOM 216 N ILE A 365 -6.881 0.209 -5.290 1.00 0.00 N ATOM 217 CA ILE A 365 -6.464 1.564 -4.830 1.00 0.00 C ATOM 218 C ILE A 365 -7.574 2.568 -5.141 1.00 0.00 C ATOM 219 O ILE A 365 -8.450 2.310 -5.943 1.00 0.00 O ATOM 220 CB ILE A 365 -5.173 1.983 -5.539 1.00 0.00 C ATOM 221 CG1 ILE A 365 -5.241 1.597 -7.018 1.00 0.00 C ATOM 222 CG2 ILE A 365 -3.983 1.279 -4.882 1.00 0.00 C ATOM 223 CD1 ILE A 365 -5.454 2.855 -7.861 1.00 0.00 C ATOM 0 H ILE A 365 -7.236 0.165 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 365 -6.285 1.541 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 365 -5.052 3.063 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 365 -4.320 1.097 -7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -6.055 0.892 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 365 -3.062 1.575 -5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 365 -3.929 1.560 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 365 -4.109 0.199 -4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -5.503 2.583 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 365 -6.387 3.336 -7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 365 -4.624 3.544 -7.702 1.00 0.00 H new ATOM 235 N ASP A 366 -7.554 3.708 -4.507 1.00 0.00 N ATOM 236 CA ASP A 366 -8.617 4.720 -4.763 1.00 0.00 C ATOM 237 C ASP A 366 -8.514 5.223 -6.204 1.00 0.00 C ATOM 238 O ASP A 366 -7.493 5.092 -6.849 1.00 0.00 O ATOM 239 CB ASP A 366 -8.450 5.894 -3.798 1.00 0.00 C ATOM 240 CG ASP A 366 -8.195 5.359 -2.386 1.00 0.00 C ATOM 241 OD1 ASP A 366 -8.637 4.259 -2.100 1.00 0.00 O ATOM 242 OD2 ASP A 366 -7.561 6.061 -1.615 1.00 0.00 O ATOM 0 H ASP A 366 -6.848 3.982 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 366 -9.594 4.262 -4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -7.620 6.525 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -9.345 6.517 -3.807 1.00 0.00 H new ATOM 247 N GLU A 367 -9.571 5.792 -6.714 1.00 0.00 N ATOM 248 CA GLU A 367 -9.548 6.299 -8.115 1.00 0.00 C ATOM 249 C GLU A 367 -8.513 7.418 -8.244 1.00 0.00 C ATOM 250 O GLU A 367 -7.836 7.538 -9.246 1.00 0.00 O ATOM 251 CB GLU A 367 -10.932 6.837 -8.481 1.00 0.00 C ATOM 252 CG GLU A 367 -11.943 5.689 -8.453 1.00 0.00 C ATOM 253 CD GLU A 367 -13.316 6.212 -8.881 1.00 0.00 C ATOM 254 OE1 GLU A 367 -13.460 7.417 -8.997 1.00 0.00 O ATOM 255 OE2 GLU A 367 -14.200 5.395 -9.084 1.00 0.00 O ATOM 0 H GLU A 367 -10.453 5.928 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 367 -9.281 5.486 -8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 367 -11.229 7.616 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 367 -10.908 7.292 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 367 -11.621 4.890 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 367 -12.000 5.264 -7.451 1.00 0.00 H new ATOM 262 N ASP A 368 -8.384 8.237 -7.238 1.00 0.00 N ATOM 263 CA ASP A 368 -7.392 9.348 -7.305 1.00 0.00 C ATOM 264 C ASP A 368 -5.980 8.763 -7.353 1.00 0.00 C ATOM 265 O ASP A 368 -5.065 9.366 -7.878 1.00 0.00 O ATOM 266 CB ASP A 368 -7.533 10.235 -6.068 1.00 0.00 C ATOM 267 CG ASP A 368 -8.895 10.933 -6.093 1.00 0.00 C ATOM 268 OD1 ASP A 368 -9.543 10.889 -7.126 1.00 0.00 O ATOM 269 OD2 ASP A 368 -9.267 11.499 -5.078 1.00 0.00 O ATOM 0 H ASP A 368 -8.922 8.186 -6.373 1.00 0.00 H new ATOM 0 HA ASP A 368 -7.572 9.944 -8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 368 -7.437 9.634 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 368 -6.733 10.975 -6.045 1.00 0.00 H new ATOM 274 N PHE A 369 -5.798 7.590 -6.813 1.00 0.00 N ATOM 275 CA PHE A 369 -4.447 6.963 -6.831 1.00 0.00 C ATOM 276 C PHE A 369 -4.196 6.346 -8.207 1.00 0.00 C ATOM 277 O PHE A 369 -3.193 6.604 -8.841 1.00 0.00 O ATOM 278 CB PHE A 369 -4.377 5.871 -5.762 1.00 0.00 C ATOM 279 CG PHE A 369 -2.998 5.261 -5.755 1.00 0.00 C ATOM 280 CD1 PHE A 369 -2.656 4.294 -6.708 1.00 0.00 C ATOM 281 CD2 PHE A 369 -2.060 5.661 -4.795 1.00 0.00 C ATOM 282 CE1 PHE A 369 -1.376 3.727 -6.701 1.00 0.00 C ATOM 283 CE2 PHE A 369 -0.780 5.094 -4.788 1.00 0.00 C ATOM 284 CZ PHE A 369 -0.438 4.127 -5.742 1.00 0.00 C ATOM 0 H PHE A 369 -6.527 7.038 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 369 -3.690 7.720 -6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 369 -4.605 6.291 -4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 369 -5.125 5.103 -5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 369 -3.379 3.986 -7.448 1.00 0.00 H new ATOM 0 HD2 PHE A 369 -2.324 6.407 -4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 369 -1.112 2.981 -7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 369 -0.057 5.402 -4.048 1.00 0.00 H new ATOM 0 HZ PHE A 369 0.550 3.690 -5.738 1.00 0.00 H new ATOM 294 N ALA A 370 -5.105 5.535 -8.677 1.00 0.00 N ATOM 295 CA ALA A 370 -4.923 4.905 -10.014 1.00 0.00 C ATOM 296 C ALA A 370 -4.633 5.989 -11.052 1.00 0.00 C ATOM 297 O ALA A 370 -3.758 5.849 -11.884 1.00 0.00 O ATOM 298 CB ALA A 370 -6.201 4.158 -10.403 1.00 0.00 C ATOM 0 H ALA A 370 -5.966 5.282 -8.192 1.00 0.00 H new ATOM 0 HA ALA A 370 -4.089 4.205 -9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -6.069 3.696 -11.382 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.411 3.386 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -7.035 4.859 -10.442 1.00 0.00 H new ATOM 304 N THR A 371 -5.363 7.069 -11.013 1.00 0.00 N ATOM 305 CA THR A 371 -5.132 8.161 -11.998 1.00 0.00 C ATOM 306 C THR A 371 -3.637 8.474 -12.079 1.00 0.00 C ATOM 307 O THR A 371 -3.092 8.647 -13.146 1.00 0.00 O ATOM 308 CB THR A 371 -5.889 9.415 -11.562 1.00 0.00 C ATOM 309 OG1 THR A 371 -5.573 9.710 -10.208 1.00 0.00 O ATOM 310 CG2 THR A 371 -7.394 9.178 -11.697 1.00 0.00 C ATOM 0 H THR A 371 -6.110 7.242 -10.341 1.00 0.00 H new ATOM 0 HA THR A 371 -5.490 7.842 -12.977 1.00 0.00 H new ATOM 0 HB THR A 371 -5.598 10.254 -12.194 1.00 0.00 H new ATOM 0 HG1 THR A 371 -5.187 8.916 -9.782 1.00 0.00 H new ATOM 0 HG21 THR A 371 -7.933 10.073 -11.386 1.00 0.00 H new ATOM 0 HG22 THR A 371 -7.635 8.952 -12.736 1.00 0.00 H new ATOM 0 HG23 THR A 371 -7.688 8.340 -11.066 1.00 0.00 H new ATOM 318 N VAL A 372 -2.968 8.557 -10.963 1.00 0.00 N ATOM 319 CA VAL A 372 -1.509 8.868 -10.998 1.00 0.00 C ATOM 320 C VAL A 372 -0.775 7.812 -11.829 1.00 0.00 C ATOM 321 O VAL A 372 0.240 8.088 -12.436 1.00 0.00 O ATOM 322 CB VAL A 372 -0.949 8.889 -9.573 1.00 0.00 C ATOM 323 CG1 VAL A 372 -1.905 9.663 -8.662 1.00 0.00 C ATOM 324 CG2 VAL A 372 -0.798 7.457 -9.053 1.00 0.00 C ATOM 0 H VAL A 372 -3.364 8.424 -10.033 1.00 0.00 H new ATOM 0 HA VAL A 372 -1.362 9.847 -11.454 1.00 0.00 H new ATOM 0 HB VAL A 372 0.027 9.374 -9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 372 -1.508 9.679 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 372 -2.008 10.685 -9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 372 -2.881 9.177 -8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 372 -0.399 7.478 -8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 372 -1.771 6.966 -9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 372 -0.116 6.905 -9.700 1.00 0.00 H new ATOM 334 N LEU A 373 -1.284 6.611 -11.878 1.00 0.00 N ATOM 335 CA LEU A 373 -0.616 5.555 -12.688 1.00 0.00 C ATOM 336 C LEU A 373 -1.024 5.731 -14.151 1.00 0.00 C ATOM 337 O LEU A 373 -0.203 5.702 -15.046 1.00 0.00 O ATOM 338 CB LEU A 373 -1.051 4.171 -12.194 1.00 0.00 C ATOM 339 CG LEU A 373 -0.579 3.952 -10.750 1.00 0.00 C ATOM 340 CD1 LEU A 373 0.712 4.735 -10.493 1.00 0.00 C ATOM 341 CD2 LEU A 373 -1.664 4.428 -9.781 1.00 0.00 C ATOM 0 H LEU A 373 -2.132 6.317 -11.393 1.00 0.00 H new ATOM 0 HA LEU A 373 0.466 5.640 -12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -2.136 4.082 -12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -0.636 3.399 -12.841 1.00 0.00 H new ATOM 0 HG LEU A 373 -0.388 2.890 -10.596 1.00 0.00 H new ATOM 0 HD11 LEU A 373 1.038 4.572 -9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 373 1.488 4.393 -11.178 1.00 0.00 H new ATOM 0 HD13 LEU A 373 0.531 5.798 -10.652 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -1.329 4.273 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -1.857 5.488 -9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -2.580 3.862 -9.954 1.00 0.00 H new ATOM 353 N VAL A 374 -2.291 5.931 -14.395 1.00 0.00 N ATOM 354 CA VAL A 374 -2.763 6.128 -15.792 1.00 0.00 C ATOM 355 C VAL A 374 -2.400 7.546 -16.234 1.00 0.00 C ATOM 356 O VAL A 374 -2.190 7.816 -17.401 1.00 0.00 O ATOM 357 CB VAL A 374 -4.282 5.951 -15.844 1.00 0.00 C ATOM 358 CG1 VAL A 374 -4.797 6.368 -17.222 1.00 0.00 C ATOM 359 CG2 VAL A 374 -4.632 4.483 -15.589 1.00 0.00 C ATOM 0 H VAL A 374 -3.021 5.966 -13.683 1.00 0.00 H new ATOM 0 HA VAL A 374 -2.293 5.399 -16.453 1.00 0.00 H new ATOM 0 HB VAL A 374 -4.748 6.573 -15.080 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -5.879 6.242 -17.259 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.547 7.413 -17.403 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -4.333 5.746 -17.987 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -5.714 4.355 -15.626 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -4.167 3.860 -16.353 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -4.265 4.187 -14.606 1.00 0.00 H new ATOM 369 N GLU A 375 -2.318 8.450 -15.298 1.00 0.00 N ATOM 370 CA GLU A 375 -1.962 9.856 -15.629 1.00 0.00 C ATOM 371 C GLU A 375 -0.504 9.904 -16.081 1.00 0.00 C ATOM 372 O GLU A 375 -0.142 10.631 -16.985 1.00 0.00 O ATOM 373 CB GLU A 375 -2.137 10.723 -14.379 1.00 0.00 C ATOM 374 CG GLU A 375 -3.620 11.044 -14.179 1.00 0.00 C ATOM 375 CD GLU A 375 -3.792 11.901 -12.924 1.00 0.00 C ATOM 376 OE1 GLU A 375 -2.809 12.106 -12.232 1.00 0.00 O ATOM 377 OE2 GLU A 375 -4.904 12.338 -12.677 1.00 0.00 O ATOM 0 H GLU A 375 -2.484 8.272 -14.308 1.00 0.00 H new ATOM 0 HA GLU A 375 -2.606 10.229 -16.425 1.00 0.00 H new ATOM 0 HB2 GLU A 375 -1.747 10.202 -13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 375 -1.566 11.646 -14.481 1.00 0.00 H new ATOM 0 HG2 GLU A 375 -4.009 11.573 -15.049 1.00 0.00 H new ATOM 0 HG3 GLU A 375 -4.193 10.122 -14.084 1.00 0.00 H new ATOM 384 N GLU A 376 0.335 9.129 -15.452 1.00 0.00 N ATOM 385 CA GLU A 376 1.774 9.115 -15.834 1.00 0.00 C ATOM 386 C GLU A 376 1.938 8.395 -17.175 1.00 0.00 C ATOM 387 O GLU A 376 2.850 8.669 -17.929 1.00 0.00 O ATOM 388 CB GLU A 376 2.576 8.381 -14.758 1.00 0.00 C ATOM 389 CG GLU A 376 4.064 8.429 -15.106 1.00 0.00 C ATOM 390 CD GLU A 376 4.605 9.836 -14.842 1.00 0.00 C ATOM 391 OE1 GLU A 376 4.006 10.539 -14.046 1.00 0.00 O ATOM 392 OE2 GLU A 376 5.610 10.185 -15.439 1.00 0.00 O ATOM 0 H GLU A 376 0.085 8.503 -14.687 1.00 0.00 H new ATOM 0 HA GLU A 376 2.138 10.138 -15.925 1.00 0.00 H new ATOM 0 HB2 GLU A 376 2.405 8.841 -13.785 1.00 0.00 H new ATOM 0 HB3 GLU A 376 2.243 7.346 -14.684 1.00 0.00 H new ATOM 0 HG2 GLU A 376 4.612 7.699 -14.509 1.00 0.00 H new ATOM 0 HG3 GLU A 376 4.213 8.161 -16.152 1.00 0.00 H new ATOM 399 N GLY A 377 1.060 7.478 -17.481 1.00 0.00 N ATOM 400 CA GLY A 377 1.168 6.747 -18.775 1.00 0.00 C ATOM 401 C GLY A 377 1.050 5.238 -18.533 1.00 0.00 C ATOM 402 O GLY A 377 1.582 4.440 -19.278 1.00 0.00 O ATOM 0 H GLY A 377 0.274 7.204 -16.891 1.00 0.00 H new ATOM 0 HA2 GLY A 377 0.384 7.077 -19.456 1.00 0.00 H new ATOM 0 HA3 GLY A 377 2.121 6.974 -19.253 1.00 0.00 H new ATOM 406 N PHE A 378 0.357 4.840 -17.501 1.00 0.00 N ATOM 407 CA PHE A 378 0.208 3.382 -17.222 1.00 0.00 C ATOM 408 C PHE A 378 -1.275 3.006 -17.264 1.00 0.00 C ATOM 409 O PHE A 378 -1.945 2.973 -16.252 1.00 0.00 O ATOM 410 CB PHE A 378 0.776 3.066 -15.836 1.00 0.00 C ATOM 411 CG PHE A 378 2.258 3.355 -15.819 1.00 0.00 C ATOM 412 CD1 PHE A 378 2.714 4.659 -15.589 1.00 0.00 C ATOM 413 CD2 PHE A 378 3.176 2.321 -16.036 1.00 0.00 C ATOM 414 CE1 PHE A 378 4.087 4.928 -15.574 1.00 0.00 C ATOM 415 CE2 PHE A 378 4.549 2.589 -16.022 1.00 0.00 C ATOM 416 CZ PHE A 378 5.005 3.893 -15.791 1.00 0.00 C ATOM 0 H PHE A 378 -0.112 5.459 -16.840 1.00 0.00 H new ATOM 0 HA PHE A 378 0.751 2.810 -17.975 1.00 0.00 H new ATOM 0 HB2 PHE A 378 0.270 3.665 -15.079 1.00 0.00 H new ATOM 0 HB3 PHE A 378 0.596 2.020 -15.588 1.00 0.00 H new ATOM 0 HD1 PHE A 378 2.006 5.457 -15.423 1.00 0.00 H new ATOM 0 HD2 PHE A 378 2.824 1.316 -16.214 1.00 0.00 H new ATOM 0 HE1 PHE A 378 4.439 5.933 -15.395 1.00 0.00 H new ATOM 0 HE2 PHE A 378 5.257 1.791 -16.189 1.00 0.00 H new ATOM 0 HZ PHE A 378 6.065 4.100 -15.780 1.00 0.00 H new ATOM 426 N SER A 379 -1.795 2.730 -18.429 1.00 0.00 N ATOM 427 CA SER A 379 -3.237 2.365 -18.533 1.00 0.00 C ATOM 428 C SER A 379 -3.391 0.842 -18.565 1.00 0.00 C ATOM 429 O SER A 379 -4.487 0.323 -18.605 1.00 0.00 O ATOM 430 CB SER A 379 -3.819 2.960 -19.817 1.00 0.00 C ATOM 431 OG SER A 379 -3.306 2.259 -20.940 1.00 0.00 O ATOM 0 H SER A 379 -1.285 2.741 -19.312 1.00 0.00 H new ATOM 0 HA SER A 379 -3.769 2.760 -17.668 1.00 0.00 H new ATOM 0 HB2 SER A 379 -4.907 2.894 -19.800 1.00 0.00 H new ATOM 0 HB3 SER A 379 -3.565 4.018 -19.888 1.00 0.00 H new ATOM 0 HG SER A 379 -3.680 2.639 -21.762 1.00 0.00 H new ATOM 437 N THR A 380 -2.303 0.121 -18.552 1.00 0.00 N ATOM 438 CA THR A 380 -2.402 -1.366 -18.585 1.00 0.00 C ATOM 439 C THR A 380 -1.712 -1.955 -17.355 1.00 0.00 C ATOM 440 O THR A 380 -0.668 -1.494 -16.937 1.00 0.00 O ATOM 441 CB THR A 380 -1.720 -1.894 -19.850 1.00 0.00 C ATOM 442 OG1 THR A 380 -2.271 -1.244 -20.988 1.00 0.00 O ATOM 443 CG2 THR A 380 -1.947 -3.403 -19.963 1.00 0.00 C ATOM 0 H THR A 380 -1.355 0.495 -18.520 1.00 0.00 H new ATOM 0 HA THR A 380 -3.452 -1.657 -18.586 1.00 0.00 H new ATOM 0 HB THR A 380 -0.650 -1.693 -19.798 1.00 0.00 H new ATOM 0 HG1 THR A 380 -1.835 -1.579 -21.799 1.00 0.00 H new ATOM 0 HG21 THR A 380 -1.461 -3.778 -20.864 1.00 0.00 H new ATOM 0 HG22 THR A 380 -1.526 -3.901 -19.090 1.00 0.00 H new ATOM 0 HG23 THR A 380 -3.016 -3.607 -20.016 1.00 0.00 H new ATOM 451 N LEU A 381 -2.281 -2.977 -16.776 1.00 0.00 N ATOM 452 CA LEU A 381 -1.648 -3.596 -15.580 1.00 0.00 C ATOM 453 C LEU A 381 -0.269 -4.131 -15.966 1.00 0.00 C ATOM 454 O LEU A 381 0.623 -4.232 -15.147 1.00 0.00 O ATOM 455 CB LEU A 381 -2.522 -4.746 -15.076 1.00 0.00 C ATOM 456 CG LEU A 381 -3.866 -4.195 -14.597 1.00 0.00 C ATOM 457 CD1 LEU A 381 -4.867 -5.343 -14.457 1.00 0.00 C ATOM 458 CD2 LEU A 381 -3.683 -3.509 -13.241 1.00 0.00 C ATOM 0 H LEU A 381 -3.154 -3.408 -17.079 1.00 0.00 H new ATOM 0 HA LEU A 381 -1.545 -2.851 -14.791 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -2.678 -5.474 -15.872 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -2.020 -5.268 -14.261 1.00 0.00 H new ATOM 0 HG LEU A 381 -4.241 -3.472 -15.322 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -5.825 -4.951 -14.116 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -4.998 -5.831 -15.423 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -4.492 -6.066 -13.733 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -4.641 -3.116 -12.900 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -3.308 -4.231 -12.516 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -2.970 -2.691 -13.341 1.00 0.00 H new ATOM 470 N GLU A 382 -0.087 -4.474 -17.213 1.00 0.00 N ATOM 471 CA GLU A 382 1.233 -4.998 -17.657 1.00 0.00 C ATOM 472 C GLU A 382 2.313 -3.956 -17.366 1.00 0.00 C ATOM 473 O GLU A 382 3.352 -4.261 -16.821 1.00 0.00 O ATOM 474 CB GLU A 382 1.191 -5.284 -19.159 1.00 0.00 C ATOM 475 CG GLU A 382 0.633 -6.690 -19.393 1.00 0.00 C ATOM 476 CD GLU A 382 0.438 -6.919 -20.893 1.00 0.00 C ATOM 477 OE1 GLU A 382 0.786 -6.034 -21.658 1.00 0.00 O ATOM 478 OE2 GLU A 382 -0.055 -7.976 -21.252 1.00 0.00 O ATOM 0 H GLU A 382 -0.797 -4.413 -17.943 1.00 0.00 H new ATOM 0 HA GLU A 382 1.459 -5.919 -17.120 1.00 0.00 H new ATOM 0 HB2 GLU A 382 0.569 -4.545 -19.664 1.00 0.00 H new ATOM 0 HB3 GLU A 382 2.191 -5.202 -19.584 1.00 0.00 H new ATOM 0 HG2 GLU A 382 1.316 -7.436 -18.986 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -0.316 -6.808 -18.870 1.00 0.00 H new ATOM 485 N GLU A 383 2.078 -2.725 -17.724 1.00 0.00 N ATOM 486 CA GLU A 383 3.096 -1.672 -17.458 1.00 0.00 C ATOM 487 C GLU A 383 3.329 -1.568 -15.950 1.00 0.00 C ATOM 488 O GLU A 383 4.446 -1.444 -15.491 1.00 0.00 O ATOM 489 CB GLU A 383 2.593 -0.331 -17.992 1.00 0.00 C ATOM 490 CG GLU A 383 2.375 -0.433 -19.502 1.00 0.00 C ATOM 491 CD GLU A 383 2.137 0.965 -20.077 1.00 0.00 C ATOM 492 OE1 GLU A 383 2.159 1.911 -19.308 1.00 0.00 O ATOM 493 OE2 GLU A 383 1.937 1.064 -21.276 1.00 0.00 O ATOM 0 H GLU A 383 1.228 -2.403 -18.188 1.00 0.00 H new ATOM 0 HA GLU A 383 4.031 -1.930 -17.955 1.00 0.00 H new ATOM 0 HB2 GLU A 383 1.661 -0.057 -17.497 1.00 0.00 H new ATOM 0 HB3 GLU A 383 3.315 0.455 -17.770 1.00 0.00 H new ATOM 0 HG2 GLU A 383 3.244 -0.890 -19.976 1.00 0.00 H new ATOM 0 HG3 GLU A 383 1.521 -1.076 -19.715 1.00 0.00 H new ATOM 500 N LEU A 384 2.279 -1.615 -15.178 1.00 0.00 N ATOM 501 CA LEU A 384 2.431 -1.515 -13.700 1.00 0.00 C ATOM 502 C LEU A 384 3.179 -2.740 -13.167 1.00 0.00 C ATOM 503 O LEU A 384 4.057 -2.632 -12.335 1.00 0.00 O ATOM 504 CB LEU A 384 1.047 -1.451 -13.048 1.00 0.00 C ATOM 505 CG LEU A 384 0.344 -0.150 -13.447 1.00 0.00 C ATOM 506 CD1 LEU A 384 -1.059 -0.123 -12.835 1.00 0.00 C ATOM 507 CD2 LEU A 384 1.145 1.050 -12.934 1.00 0.00 C ATOM 0 H LEU A 384 1.320 -1.719 -15.508 1.00 0.00 H new ATOM 0 HA LEU A 384 2.996 -0.614 -13.461 1.00 0.00 H new ATOM 0 HB2 LEU A 384 0.449 -2.308 -13.358 1.00 0.00 H new ATOM 0 HB3 LEU A 384 1.143 -1.505 -11.964 1.00 0.00 H new ATOM 0 HG LEU A 384 0.272 -0.098 -14.533 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -1.561 0.802 -13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -1.633 -0.974 -13.202 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -0.983 -0.178 -11.749 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.641 1.973 -13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.220 1.000 -11.848 1.00 0.00 H new ATOM 0 HD23 LEU A 384 2.145 1.033 -13.368 1.00 0.00 H new ATOM 519 N ALA A 385 2.829 -3.906 -13.633 1.00 0.00 N ATOM 520 CA ALA A 385 3.508 -5.142 -13.144 1.00 0.00 C ATOM 521 C ALA A 385 4.836 -5.341 -13.879 1.00 0.00 C ATOM 522 O ALA A 385 5.811 -5.786 -13.307 1.00 0.00 O ATOM 523 CB ALA A 385 2.606 -6.351 -13.396 1.00 0.00 C ATOM 0 H ALA A 385 2.102 -4.058 -14.332 1.00 0.00 H new ATOM 0 HA ALA A 385 3.703 -5.040 -12.076 1.00 0.00 H new ATOM 0 HB1 ALA A 385 3.101 -7.255 -13.039 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.664 -6.219 -12.864 1.00 0.00 H new ATOM 0 HB3 ALA A 385 2.410 -6.442 -14.464 1.00 0.00 H new ATOM 529 N TYR A 386 4.882 -5.020 -15.140 1.00 0.00 N ATOM 530 CA TYR A 386 6.148 -5.198 -15.905 1.00 0.00 C ATOM 531 C TYR A 386 7.143 -4.117 -15.486 1.00 0.00 C ATOM 532 O TYR A 386 8.329 -4.357 -15.380 1.00 0.00 O ATOM 533 CB TYR A 386 5.861 -5.091 -17.405 1.00 0.00 C ATOM 534 CG TYR A 386 5.117 -6.325 -17.866 1.00 0.00 C ATOM 535 CD1 TYR A 386 3.959 -6.740 -17.196 1.00 0.00 C ATOM 536 CD2 TYR A 386 5.587 -7.054 -18.965 1.00 0.00 C ATOM 537 CE1 TYR A 386 3.272 -7.881 -17.624 1.00 0.00 C ATOM 538 CE2 TYR A 386 4.899 -8.197 -19.393 1.00 0.00 C ATOM 539 CZ TYR A 386 3.741 -8.611 -18.722 1.00 0.00 C ATOM 540 OH TYR A 386 3.063 -9.736 -19.143 1.00 0.00 O ATOM 0 H TYR A 386 4.100 -4.643 -15.675 1.00 0.00 H new ATOM 0 HA TYR A 386 6.571 -6.180 -15.695 1.00 0.00 H new ATOM 0 HB2 TYR A 386 5.269 -4.199 -17.610 1.00 0.00 H new ATOM 0 HB3 TYR A 386 6.795 -4.988 -17.958 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.596 -6.178 -16.348 1.00 0.00 H new ATOM 0 HD2 TYR A 386 6.480 -6.735 -19.483 1.00 0.00 H new ATOM 0 HE1 TYR A 386 2.379 -8.199 -17.107 1.00 0.00 H new ATOM 0 HE2 TYR A 386 5.262 -8.759 -20.241 1.00 0.00 H new ATOM 0 HH TYR A 386 3.521 -10.123 -19.918 1.00 0.00 H new ATOM 550 N VAL A 387 6.669 -2.927 -15.232 1.00 0.00 N ATOM 551 CA VAL A 387 7.589 -1.839 -14.803 1.00 0.00 C ATOM 552 C VAL A 387 8.141 -2.184 -13.419 1.00 0.00 C ATOM 553 O VAL A 387 7.430 -2.681 -12.568 1.00 0.00 O ATOM 554 CB VAL A 387 6.821 -0.516 -14.742 1.00 0.00 C ATOM 555 CG1 VAL A 387 5.870 -0.532 -13.544 1.00 0.00 C ATOM 556 CG2 VAL A 387 7.810 0.641 -14.596 1.00 0.00 C ATOM 0 H VAL A 387 5.686 -2.663 -15.303 1.00 0.00 H new ATOM 0 HA VAL A 387 8.410 -1.739 -15.513 1.00 0.00 H new ATOM 0 HB VAL A 387 6.245 -0.387 -15.659 1.00 0.00 H new ATOM 0 HG11 VAL A 387 5.323 0.410 -13.501 1.00 0.00 H new ATOM 0 HG12 VAL A 387 5.165 -1.356 -13.650 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.443 -0.661 -12.626 1.00 0.00 H new ATOM 0 HG21 VAL A 387 7.264 1.583 -14.553 1.00 0.00 H new ATOM 0 HG22 VAL A 387 8.387 0.513 -13.680 1.00 0.00 H new ATOM 0 HG23 VAL A 387 8.486 0.652 -15.451 1.00 0.00 H new ATOM 566 N PRO A 388 9.438 -1.930 -13.194 1.00 0.00 N ATOM 567 CA PRO A 388 10.090 -2.232 -11.914 1.00 0.00 C ATOM 568 C PRO A 388 9.608 -1.331 -10.775 1.00 0.00 C ATOM 569 O PRO A 388 8.978 -0.313 -10.984 1.00 0.00 O ATOM 570 CB PRO A 388 11.566 -1.969 -12.188 1.00 0.00 C ATOM 571 CG PRO A 388 11.567 -0.994 -13.313 1.00 0.00 C ATOM 572 CD PRO A 388 10.373 -1.333 -14.163 1.00 0.00 C ATOM 0 HA PRO A 388 9.870 -3.249 -11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 388 12.067 -1.562 -11.309 1.00 0.00 H new ATOM 0 HB3 PRO A 388 12.090 -2.886 -12.457 1.00 0.00 H new ATOM 0 HG2 PRO A 388 11.503 0.029 -12.942 1.00 0.00 H new ATOM 0 HG3 PRO A 388 12.489 -1.066 -13.890 1.00 0.00 H new ATOM 0 HD2 PRO A 388 9.951 -0.448 -14.639 1.00 0.00 H new ATOM 0 HD3 PRO A 388 10.629 -2.031 -14.960 1.00 0.00 H new ATOM 580 N MET A 389 9.899 -1.724 -9.571 1.00 0.00 N ATOM 581 CA MET A 389 9.468 -0.933 -8.381 1.00 0.00 C ATOM 582 C MET A 389 9.954 0.515 -8.499 1.00 0.00 C ATOM 583 O MET A 389 9.169 1.438 -8.569 1.00 0.00 O ATOM 584 CB MET A 389 10.062 -1.564 -7.119 1.00 0.00 C ATOM 585 CG MET A 389 9.123 -1.327 -5.933 1.00 0.00 C ATOM 586 SD MET A 389 8.698 0.429 -5.834 1.00 0.00 S ATOM 587 CE MET A 389 10.377 1.062 -5.595 1.00 0.00 C ATOM 0 H MET A 389 10.424 -2.571 -9.354 1.00 0.00 H new ATOM 0 HA MET A 389 8.379 -0.936 -8.326 1.00 0.00 H new ATOM 0 HB2 MET A 389 10.210 -2.633 -7.270 1.00 0.00 H new ATOM 0 HB3 MET A 389 11.041 -1.133 -6.912 1.00 0.00 H new ATOM 0 HG2 MET A 389 8.218 -1.924 -6.048 1.00 0.00 H new ATOM 0 HG3 MET A 389 9.602 -1.648 -5.008 1.00 0.00 H new ATOM 0 HE1 MET A 389 10.416 1.655 -4.681 1.00 0.00 H new ATOM 0 HE2 MET A 389 11.073 0.227 -5.515 1.00 0.00 H new ATOM 0 HE3 MET A 389 10.655 1.686 -6.445 1.00 0.00 H new ATOM 597 N LYS A 390 11.242 0.721 -8.504 1.00 0.00 N ATOM 598 CA LYS A 390 11.777 2.110 -8.595 1.00 0.00 C ATOM 599 C LYS A 390 11.011 2.908 -9.652 1.00 0.00 C ATOM 600 O LYS A 390 10.471 3.959 -9.373 1.00 0.00 O ATOM 601 CB LYS A 390 13.257 2.067 -8.981 1.00 0.00 C ATOM 602 CG LYS A 390 14.056 1.393 -7.865 1.00 0.00 C ATOM 603 CD LYS A 390 15.547 1.468 -8.194 1.00 0.00 C ATOM 604 CE LYS A 390 16.342 0.696 -7.140 1.00 0.00 C ATOM 605 NZ LYS A 390 17.797 0.788 -7.451 1.00 0.00 N ATOM 0 H LYS A 390 11.948 -0.013 -8.449 1.00 0.00 H new ATOM 0 HA LYS A 390 11.658 2.592 -7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 390 13.384 1.520 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 390 13.629 3.077 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 390 13.857 1.884 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 390 13.747 0.353 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 390 15.733 1.050 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 390 15.872 2.508 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 390 16.144 1.104 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 390 16.028 -0.348 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 18.339 0.263 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 17.978 0.379 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 18.091 1.786 -7.445 1.00 0.00 H new ATOM 619 N GLU A 391 10.959 2.424 -10.861 1.00 0.00 N ATOM 620 CA GLU A 391 10.233 3.171 -11.922 1.00 0.00 C ATOM 621 C GLU A 391 8.889 3.627 -11.365 1.00 0.00 C ATOM 622 O GLU A 391 8.415 4.709 -11.652 1.00 0.00 O ATOM 623 CB GLU A 391 10.014 2.261 -13.132 1.00 0.00 C ATOM 624 CG GLU A 391 11.294 2.211 -13.970 1.00 0.00 C ATOM 625 CD GLU A 391 11.732 3.635 -14.322 1.00 0.00 C ATOM 626 OE1 GLU A 391 10.921 4.365 -14.868 1.00 0.00 O ATOM 627 OE2 GLU A 391 12.872 3.969 -14.043 1.00 0.00 O ATOM 0 H GLU A 391 11.386 1.547 -11.159 1.00 0.00 H new ATOM 0 HA GLU A 391 10.815 4.038 -12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 391 9.743 1.258 -12.802 1.00 0.00 H new ATOM 0 HB3 GLU A 391 9.186 2.633 -13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 391 12.084 1.703 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 391 11.123 1.637 -14.880 1.00 0.00 H new ATOM 634 N LEU A 392 8.273 2.803 -10.569 1.00 0.00 N ATOM 635 CA LEU A 392 6.954 3.179 -9.985 1.00 0.00 C ATOM 636 C LEU A 392 7.169 4.059 -8.750 1.00 0.00 C ATOM 637 O LEU A 392 6.506 5.061 -8.570 1.00 0.00 O ATOM 638 CB LEU A 392 6.192 1.914 -9.587 1.00 0.00 C ATOM 639 CG LEU A 392 5.809 1.134 -10.844 1.00 0.00 C ATOM 640 CD1 LEU A 392 4.879 -0.020 -10.466 1.00 0.00 C ATOM 641 CD2 LEU A 392 5.093 2.067 -11.823 1.00 0.00 C ATOM 0 H LEU A 392 8.624 1.885 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 392 6.376 3.733 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 392 6.809 1.295 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 392 5.297 2.178 -9.023 1.00 0.00 H new ATOM 0 HG LEU A 392 6.709 0.735 -11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 392 4.606 -0.576 -11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 392 5.389 -0.684 -9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 392 3.979 0.377 -9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 392 4.819 1.512 -12.720 1.00 0.00 H new ATOM 0 HD22 LEU A 392 4.193 2.465 -11.354 1.00 0.00 H new ATOM 0 HD23 LEU A 392 5.756 2.889 -12.093 1.00 0.00 H new ATOM 653 N LEU A 393 8.087 3.695 -7.896 1.00 0.00 N ATOM 654 CA LEU A 393 8.334 4.516 -6.676 1.00 0.00 C ATOM 655 C LEU A 393 8.893 5.880 -7.082 1.00 0.00 C ATOM 656 O LEU A 393 8.683 6.872 -6.412 1.00 0.00 O ATOM 657 CB LEU A 393 9.341 3.804 -5.771 1.00 0.00 C ATOM 658 CG LEU A 393 9.636 4.681 -4.552 1.00 0.00 C ATOM 659 CD1 LEU A 393 8.976 4.075 -3.313 1.00 0.00 C ATOM 660 CD2 LEU A 393 11.148 4.759 -4.336 1.00 0.00 C ATOM 0 H LEU A 393 8.675 2.867 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 393 7.396 4.652 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 393 8.943 2.841 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 393 10.261 3.603 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 393 9.239 5.682 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 393 9.187 4.701 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 393 7.898 4.018 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 393 9.372 3.074 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 393 11.360 5.383 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 393 11.544 3.757 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 393 11.620 5.192 -5.218 1.00 0.00 H new ATOM 672 N GLU A 394 9.604 5.939 -8.173 1.00 0.00 N ATOM 673 CA GLU A 394 10.172 7.241 -8.619 1.00 0.00 C ATOM 674 C GLU A 394 9.073 8.076 -9.271 1.00 0.00 C ATOM 675 O GLU A 394 9.177 9.282 -9.370 1.00 0.00 O ATOM 676 CB GLU A 394 11.293 6.991 -9.631 1.00 0.00 C ATOM 677 CG GLU A 394 12.385 6.132 -8.988 1.00 0.00 C ATOM 678 CD GLU A 394 13.617 6.115 -9.895 1.00 0.00 C ATOM 679 OE1 GLU A 394 13.490 6.518 -11.040 1.00 0.00 O ATOM 680 OE2 GLU A 394 14.665 5.700 -9.430 1.00 0.00 O ATOM 0 H GLU A 394 9.816 5.143 -8.774 1.00 0.00 H new ATOM 0 HA GLU A 394 10.575 7.776 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 394 10.895 6.490 -10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 394 11.713 7.940 -9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 394 12.647 6.530 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 394 12.020 5.117 -8.832 1.00 0.00 H new ATOM 687 N ILE A 395 8.026 7.441 -9.725 1.00 0.00 N ATOM 688 CA ILE A 395 6.913 8.187 -10.382 1.00 0.00 C ATOM 689 C ILE A 395 6.762 9.572 -9.752 1.00 0.00 C ATOM 690 O ILE A 395 6.450 10.534 -10.425 1.00 0.00 O ATOM 691 CB ILE A 395 5.612 7.404 -10.209 1.00 0.00 C ATOM 692 CG1 ILE A 395 5.697 6.094 -10.996 1.00 0.00 C ATOM 693 CG2 ILE A 395 4.441 8.240 -10.729 1.00 0.00 C ATOM 694 CD1 ILE A 395 5.603 6.390 -12.494 1.00 0.00 C ATOM 0 H ILE A 395 7.893 6.431 -9.669 1.00 0.00 H new ATOM 0 HA ILE A 395 7.137 8.304 -11.442 1.00 0.00 H new ATOM 0 HB ILE A 395 5.458 7.182 -9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 395 6.634 5.584 -10.774 1.00 0.00 H new ATOM 0 HG13 ILE A 395 4.891 5.424 -10.696 1.00 0.00 H new ATOM 0 HG21 ILE A 395 3.513 7.682 -10.606 1.00 0.00 H new ATOM 0 HG22 ILE A 395 4.381 9.172 -10.167 1.00 0.00 H new ATOM 0 HG23 ILE A 395 4.593 8.462 -11.785 1.00 0.00 H new ATOM 0 HD11 ILE A 395 5.664 5.457 -13.054 1.00 0.00 H new ATOM 0 HD12 ILE A 395 4.654 6.881 -12.709 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.424 7.043 -12.788 1.00 0.00 H new ATOM 706 N GLU A 396 6.980 9.686 -8.473 1.00 0.00 N ATOM 707 CA GLU A 396 6.845 11.016 -7.816 1.00 0.00 C ATOM 708 C GLU A 396 7.239 10.904 -6.342 1.00 0.00 C ATOM 709 O GLU A 396 8.359 11.189 -5.967 1.00 0.00 O ATOM 710 CB GLU A 396 5.395 11.495 -7.921 1.00 0.00 C ATOM 711 CG GLU A 396 5.255 12.848 -7.221 1.00 0.00 C ATOM 712 CD GLU A 396 5.956 13.926 -8.050 1.00 0.00 C ATOM 713 OE1 GLU A 396 6.113 13.720 -9.242 1.00 0.00 O ATOM 714 OE2 GLU A 396 6.325 14.939 -7.479 1.00 0.00 O ATOM 0 H GLU A 396 7.245 8.919 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 396 7.501 11.731 -8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 396 5.104 11.583 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.726 10.766 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 396 4.201 13.098 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 396 5.691 12.800 -6.223 1.00 0.00 H new ATOM 721 N GLY A 397 6.329 10.494 -5.502 1.00 0.00 N ATOM 722 CA GLY A 397 6.655 10.370 -4.054 1.00 0.00 C ATOM 723 C GLY A 397 5.937 9.154 -3.467 1.00 0.00 C ATOM 724 O GLY A 397 5.436 9.190 -2.360 1.00 0.00 O ATOM 0 H GLY A 397 5.374 10.240 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 397 7.732 10.268 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 397 6.353 11.274 -3.525 1.00 0.00 H new ATOM 728 N LEU A 398 5.887 8.078 -4.197 1.00 0.00 N ATOM 729 CA LEU A 398 5.205 6.860 -3.677 1.00 0.00 C ATOM 730 C LEU A 398 6.141 6.135 -2.706 1.00 0.00 C ATOM 731 O LEU A 398 7.345 6.288 -2.761 1.00 0.00 O ATOM 732 CB LEU A 398 4.845 5.935 -4.840 1.00 0.00 C ATOM 733 CG LEU A 398 3.949 6.687 -5.826 1.00 0.00 C ATOM 734 CD1 LEU A 398 3.554 5.755 -6.974 1.00 0.00 C ATOM 735 CD2 LEU A 398 2.690 7.168 -5.103 1.00 0.00 C ATOM 0 H LEU A 398 6.288 7.987 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 398 4.291 7.146 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 398 5.750 5.593 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 398 4.332 5.048 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 398 4.490 7.545 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 398 2.916 6.292 -7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 398 4.451 5.412 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 398 3.013 4.896 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 398 2.050 7.704 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 398 2.150 6.310 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 398 2.971 7.833 -4.287 1.00 0.00 H new ATOM 747 N ASP A 399 5.599 5.355 -1.811 1.00 0.00 N ATOM 748 CA ASP A 399 6.464 4.636 -0.832 1.00 0.00 C ATOM 749 C ASP A 399 6.908 3.290 -1.409 1.00 0.00 C ATOM 750 O ASP A 399 6.302 2.755 -2.316 1.00 0.00 O ATOM 751 CB ASP A 399 5.687 4.400 0.464 1.00 0.00 C ATOM 752 CG ASP A 399 4.956 5.684 0.862 1.00 0.00 C ATOM 753 OD1 ASP A 399 5.436 6.749 0.511 1.00 0.00 O ATOM 754 OD2 ASP A 399 3.928 5.580 1.511 1.00 0.00 O ATOM 0 H ASP A 399 4.598 5.185 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 399 7.345 5.245 -0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 399 4.972 3.589 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 399 6.368 4.096 1.259 1.00 0.00 H new ATOM 759 N GLU A 400 7.972 2.748 -0.884 1.00 0.00 N ATOM 760 CA GLU A 400 8.484 1.442 -1.387 1.00 0.00 C ATOM 761 C GLU A 400 7.397 0.367 -1.280 1.00 0.00 C ATOM 762 O GLU A 400 7.148 -0.362 -2.218 1.00 0.00 O ATOM 763 CB GLU A 400 9.698 1.020 -0.557 1.00 0.00 C ATOM 764 CG GLU A 400 10.977 1.292 -1.351 1.00 0.00 C ATOM 765 CD GLU A 400 12.101 1.679 -0.388 1.00 0.00 C ATOM 766 OE1 GLU A 400 11.831 1.778 0.797 1.00 0.00 O ATOM 767 OE2 GLU A 400 13.213 1.871 -0.852 1.00 0.00 O ATOM 0 H GLU A 400 8.513 3.157 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 400 8.770 1.553 -2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 400 9.718 1.570 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 400 9.631 -0.039 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 400 11.260 0.407 -1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 400 10.808 2.093 -2.071 1.00 0.00 H new ATOM 774 N PRO A 401 6.743 0.257 -0.111 1.00 0.00 N ATOM 775 CA PRO A 401 5.689 -0.743 0.110 1.00 0.00 C ATOM 776 C PRO A 401 4.439 -0.452 -0.723 1.00 0.00 C ATOM 777 O PRO A 401 3.941 -1.306 -1.429 1.00 0.00 O ATOM 778 CB PRO A 401 5.376 -0.611 1.600 1.00 0.00 C ATOM 779 CG PRO A 401 5.781 0.781 1.946 1.00 0.00 C ATOM 780 CD PRO A 401 6.970 1.095 1.082 1.00 0.00 C ATOM 0 HA PRO A 401 6.007 -1.743 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 401 4.317 -0.777 1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 401 5.930 -1.343 2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 401 4.967 1.482 1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 401 6.035 0.862 3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 401 7.016 2.154 0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 401 7.907 0.845 1.579 1.00 0.00 H new ATOM 788 N THR A 402 3.931 0.747 -0.654 1.00 0.00 N ATOM 789 CA THR A 402 2.718 1.085 -1.449 1.00 0.00 C ATOM 790 C THR A 402 2.969 0.738 -2.917 1.00 0.00 C ATOM 791 O THR A 402 2.155 0.115 -3.568 1.00 0.00 O ATOM 792 CB THR A 402 2.423 2.581 -1.321 1.00 0.00 C ATOM 793 OG1 THR A 402 2.244 2.911 0.048 1.00 0.00 O ATOM 794 CG2 THR A 402 1.153 2.921 -2.103 1.00 0.00 C ATOM 0 H THR A 402 4.303 1.506 -0.083 1.00 0.00 H new ATOM 0 HA THR A 402 1.865 0.517 -1.077 1.00 0.00 H new ATOM 0 HB THR A 402 3.258 3.153 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 402 2.057 3.869 0.132 1.00 0.00 H new ATOM 0 HG21 THR A 402 0.944 3.987 -2.011 1.00 0.00 H new ATOM 0 HG22 THR A 402 1.294 2.668 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 402 0.315 2.351 -1.702 1.00 0.00 H new ATOM 802 N VAL A 403 4.095 1.138 -3.440 1.00 0.00 N ATOM 803 CA VAL A 403 4.408 0.836 -4.865 1.00 0.00 C ATOM 804 C VAL A 403 4.747 -0.647 -5.004 1.00 0.00 C ATOM 805 O VAL A 403 4.404 -1.284 -5.980 1.00 0.00 O ATOM 806 CB VAL A 403 5.610 1.669 -5.312 1.00 0.00 C ATOM 807 CG1 VAL A 403 5.664 1.700 -6.840 1.00 0.00 C ATOM 808 CG2 VAL A 403 5.475 3.095 -4.780 1.00 0.00 C ATOM 0 H VAL A 403 4.814 1.662 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 403 3.545 1.078 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 403 6.525 1.223 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 403 6.520 2.293 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 403 5.763 0.684 -7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 403 4.748 2.145 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 403 6.333 3.686 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 403 4.561 3.543 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 403 5.435 3.075 -3.691 1.00 0.00 H new ATOM 818 N GLU A 404 5.417 -1.201 -4.034 1.00 0.00 N ATOM 819 CA GLU A 404 5.780 -2.643 -4.108 1.00 0.00 C ATOM 820 C GLU A 404 4.506 -3.490 -4.153 1.00 0.00 C ATOM 821 O GLU A 404 4.391 -4.414 -4.933 1.00 0.00 O ATOM 822 CB GLU A 404 6.603 -3.026 -2.877 1.00 0.00 C ATOM 823 CG GLU A 404 7.093 -4.468 -3.019 1.00 0.00 C ATOM 824 CD GLU A 404 7.828 -4.884 -1.743 1.00 0.00 C ATOM 825 OE1 GLU A 404 7.909 -4.072 -0.837 1.00 0.00 O ATOM 826 OE2 GLU A 404 8.299 -6.009 -1.695 1.00 0.00 O ATOM 0 H GLU A 404 5.729 -0.717 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 404 6.367 -2.823 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 404 7.452 -2.351 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 404 5.998 -2.923 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 404 6.249 -5.134 -3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 404 7.757 -4.555 -3.879 1.00 0.00 H new ATOM 833 N ALA A 405 3.547 -3.179 -3.323 1.00 0.00 N ATOM 834 CA ALA A 405 2.281 -3.966 -3.321 1.00 0.00 C ATOM 835 C ALA A 405 1.489 -3.655 -4.591 1.00 0.00 C ATOM 836 O ALA A 405 0.787 -4.494 -5.120 1.00 0.00 O ATOM 837 CB ALA A 405 1.448 -3.587 -2.095 1.00 0.00 C ATOM 0 H ALA A 405 3.586 -2.416 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 405 2.513 -5.031 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 405 0.522 -4.162 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 405 2.013 -3.806 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 405 1.214 -2.523 -2.129 1.00 0.00 H new ATOM 843 N LEU A 406 1.596 -2.453 -5.085 1.00 0.00 N ATOM 844 CA LEU A 406 0.851 -2.084 -6.321 1.00 0.00 C ATOM 845 C LEU A 406 1.289 -2.994 -7.471 1.00 0.00 C ATOM 846 O LEU A 406 0.476 -3.497 -8.221 1.00 0.00 O ATOM 847 CB LEU A 406 1.149 -0.628 -6.677 1.00 0.00 C ATOM 848 CG LEU A 406 0.290 -0.208 -7.871 1.00 0.00 C ATOM 849 CD1 LEU A 406 -1.156 -0.009 -7.413 1.00 0.00 C ATOM 850 CD2 LEU A 406 0.827 1.104 -8.447 1.00 0.00 C ATOM 0 H LEU A 406 2.168 -1.709 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 406 -0.219 -2.204 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 406 0.942 0.016 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 406 2.206 -0.510 -6.916 1.00 0.00 H new ATOM 0 HG LEU A 406 0.326 -0.983 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -1.769 0.290 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -1.539 -0.943 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -1.192 0.767 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 406 0.216 1.405 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 406 0.790 1.879 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 406 1.858 0.964 -8.772 1.00 0.00 H new ATOM 862 N ARG A 407 2.567 -3.213 -7.614 1.00 0.00 N ATOM 863 CA ARG A 407 3.053 -4.094 -8.713 1.00 0.00 C ATOM 864 C ARG A 407 2.566 -5.522 -8.468 1.00 0.00 C ATOM 865 O ARG A 407 1.988 -6.150 -9.334 1.00 0.00 O ATOM 866 CB ARG A 407 4.581 -4.078 -8.743 1.00 0.00 C ATOM 867 CG ARG A 407 5.071 -2.658 -9.024 1.00 0.00 C ATOM 868 CD ARG A 407 6.592 -2.669 -9.182 1.00 0.00 C ATOM 869 NE ARG A 407 7.219 -3.133 -7.913 1.00 0.00 N ATOM 870 CZ ARG A 407 8.134 -4.064 -7.938 1.00 0.00 C ATOM 871 NH1 ARG A 407 8.894 -4.204 -8.990 1.00 0.00 N ATOM 872 NH2 ARG A 407 8.289 -4.854 -6.911 1.00 0.00 N ATOM 0 H ARG A 407 3.295 -2.820 -7.018 1.00 0.00 H new ATOM 0 HA ARG A 407 2.668 -3.733 -9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 407 4.978 -4.429 -7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 407 4.947 -4.759 -9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 407 4.603 -2.272 -9.930 1.00 0.00 H new ATOM 0 HG3 ARG A 407 4.784 -1.994 -8.209 1.00 0.00 H new ATOM 0 HD2 ARG A 407 6.878 -3.326 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 407 6.950 -1.670 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 407 6.933 -2.723 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 407 8.773 -3.586 -9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 407 9.609 -4.931 -9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 407 7.695 -4.744 -6.089 1.00 0.00 H new ATOM 0 HH22 ARG A 407 9.004 -5.581 -6.930 1.00 0.00 H new ATOM 886 N GLU A 408 2.790 -6.037 -7.291 1.00 0.00 N ATOM 887 CA GLU A 408 2.337 -7.423 -6.990 1.00 0.00 C ATOM 888 C GLU A 408 0.912 -7.608 -7.512 1.00 0.00 C ATOM 889 O GLU A 408 0.590 -8.604 -8.130 1.00 0.00 O ATOM 890 CB GLU A 408 2.357 -7.657 -5.477 1.00 0.00 C ATOM 891 CG GLU A 408 2.061 -9.130 -5.189 1.00 0.00 C ATOM 892 CD GLU A 408 2.051 -9.365 -3.677 1.00 0.00 C ATOM 893 OE1 GLU A 408 2.250 -8.408 -2.947 1.00 0.00 O ATOM 894 OE2 GLU A 408 1.844 -10.498 -3.275 1.00 0.00 O ATOM 0 H GLU A 408 3.266 -5.559 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 408 3.005 -8.137 -7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 408 3.329 -7.383 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 408 1.616 -7.023 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 408 1.098 -9.408 -5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 408 2.814 -9.762 -5.661 1.00 0.00 H new ATOM 901 N ARG A 409 0.056 -6.652 -7.271 1.00 0.00 N ATOM 902 CA ARG A 409 -1.346 -6.768 -7.756 1.00 0.00 C ATOM 903 C ARG A 409 -1.353 -6.802 -9.285 1.00 0.00 C ATOM 904 O ARG A 409 -2.043 -7.592 -9.895 1.00 0.00 O ATOM 905 CB ARG A 409 -2.156 -5.563 -7.273 1.00 0.00 C ATOM 906 CG ARG A 409 -2.186 -5.546 -5.744 1.00 0.00 C ATOM 907 CD ARG A 409 -3.077 -4.397 -5.267 1.00 0.00 C ATOM 908 NE ARG A 409 -2.905 -4.211 -3.799 1.00 0.00 N ATOM 909 CZ ARG A 409 -3.720 -4.800 -2.968 1.00 0.00 C ATOM 910 NH1 ARG A 409 -4.265 -5.942 -3.288 1.00 0.00 N ATOM 911 NH2 ARG A 409 -3.991 -4.248 -1.817 1.00 0.00 N ATOM 0 H ARG A 409 0.269 -5.796 -6.759 1.00 0.00 H new ATOM 0 HA ARG A 409 -1.790 -7.684 -7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 409 -1.714 -4.640 -7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 409 -3.171 -5.613 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 409 -2.565 -6.496 -5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 409 -1.177 -5.426 -5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 409 -2.817 -3.479 -5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 409 -4.120 -4.612 -5.497 1.00 0.00 H new ATOM 0 HE ARG A 409 -2.151 -3.624 -3.444 1.00 0.00 H new ATOM 0 HH11 ARG A 409 -4.054 -6.374 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 409 -4.902 -6.403 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 409 -3.565 -3.355 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 409 -4.628 -4.709 -1.168 1.00 0.00 H new ATOM 925 N ALA A 410 -0.592 -5.944 -9.908 1.00 0.00 N ATOM 926 CA ALA A 410 -0.556 -5.924 -11.396 1.00 0.00 C ATOM 927 C ALA A 410 -0.332 -7.345 -11.922 1.00 0.00 C ATOM 928 O ALA A 410 -1.125 -7.868 -12.679 1.00 0.00 O ATOM 929 CB ALA A 410 0.584 -5.017 -11.865 1.00 0.00 C ATOM 0 H ALA A 410 0.006 -5.256 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 410 -1.503 -5.543 -11.778 1.00 0.00 H new ATOM 0 HB1 ALA A 410 0.612 -5.001 -12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 410 0.422 -4.006 -11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 410 1.532 -5.397 -11.483 1.00 0.00 H new ATOM 935 N LYS A 411 0.740 -7.976 -11.524 1.00 0.00 N ATOM 936 CA LYS A 411 1.006 -9.361 -12.001 1.00 0.00 C ATOM 937 C LYS A 411 -0.145 -10.270 -11.568 1.00 0.00 C ATOM 938 O LYS A 411 -0.724 -10.979 -12.368 1.00 0.00 O ATOM 939 CB LYS A 411 2.315 -9.869 -11.392 1.00 0.00 C ATOM 940 CG LYS A 411 3.500 -9.263 -12.147 1.00 0.00 C ATOM 941 CD LYS A 411 3.559 -9.846 -13.561 1.00 0.00 C ATOM 942 CE LYS A 411 4.914 -9.513 -14.190 1.00 0.00 C ATOM 943 NZ LYS A 411 5.733 -10.753 -14.288 1.00 0.00 N ATOM 0 H LYS A 411 1.441 -7.592 -10.890 1.00 0.00 H new ATOM 0 HA LYS A 411 1.089 -9.365 -13.088 1.00 0.00 H new ATOM 0 HB2 LYS A 411 2.366 -9.599 -10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 411 2.355 -10.957 -11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 411 3.399 -8.179 -12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 411 4.429 -9.474 -11.617 1.00 0.00 H new ATOM 0 HD2 LYS A 411 3.416 -10.926 -13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 411 2.752 -9.437 -14.169 1.00 0.00 H new ATOM 0 HE2 LYS A 411 4.771 -9.080 -15.180 1.00 0.00 H new ATOM 0 HE3 LYS A 411 5.433 -8.768 -13.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 6.654 -10.528 -14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 5.880 -11.148 -13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 5.238 -11.450 -14.880 1.00 0.00 H new ATOM 957 N ASN A 412 -0.480 -10.252 -10.309 1.00 0.00 N ATOM 958 CA ASN A 412 -1.595 -11.111 -9.822 1.00 0.00 C ATOM 959 C ASN A 412 -2.861 -10.796 -10.619 1.00 0.00 C ATOM 960 O ASN A 412 -3.598 -11.680 -11.008 1.00 0.00 O ATOM 961 CB ASN A 412 -1.841 -10.829 -8.337 1.00 0.00 C ATOM 962 CG ASN A 412 -0.621 -11.271 -7.526 1.00 0.00 C ATOM 963 OD1 ASN A 412 0.208 -12.015 -8.012 1.00 0.00 O ATOM 964 ND2 ASN A 412 -0.473 -10.838 -6.303 1.00 0.00 N ATOM 0 H ASN A 412 -0.030 -9.679 -9.595 1.00 0.00 H new ATOM 0 HA ASN A 412 -1.334 -12.161 -9.954 1.00 0.00 H new ATOM 0 HB2 ASN A 412 -2.028 -9.766 -8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 412 -2.730 -11.361 -7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 412 0.339 -11.124 -5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 412 -1.169 -10.214 -5.895 1.00 0.00 H new ATOM 971 N ALA A 413 -3.116 -9.542 -10.870 1.00 0.00 N ATOM 972 CA ALA A 413 -4.329 -9.172 -11.647 1.00 0.00 C ATOM 973 C ALA A 413 -4.177 -9.674 -13.082 1.00 0.00 C ATOM 974 O ALA A 413 -5.085 -10.249 -13.649 1.00 0.00 O ATOM 975 CB ALA A 413 -4.488 -7.651 -11.652 1.00 0.00 C ATOM 0 H ALA A 413 -2.536 -8.758 -10.570 1.00 0.00 H new ATOM 0 HA ALA A 413 -5.209 -9.625 -11.191 1.00 0.00 H new ATOM 0 HB1 ALA A 413 -5.377 -7.380 -12.221 1.00 0.00 H new ATOM 0 HB2 ALA A 413 -4.590 -7.292 -10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 413 -3.611 -7.195 -12.110 1.00 0.00 H new ATOM 981 N LEU A 414 -3.032 -9.464 -13.673 1.00 0.00 N ATOM 982 CA LEU A 414 -2.821 -9.932 -15.068 1.00 0.00 C ATOM 983 C LEU A 414 -3.006 -11.449 -15.123 1.00 0.00 C ATOM 984 O LEU A 414 -3.547 -11.984 -16.069 1.00 0.00 O ATOM 985 CB LEU A 414 -1.404 -9.570 -15.523 1.00 0.00 C ATOM 986 CG LEU A 414 -1.251 -9.842 -17.024 1.00 0.00 C ATOM 987 CD1 LEU A 414 -2.525 -9.421 -17.761 1.00 0.00 C ATOM 988 CD2 LEU A 414 -0.066 -9.043 -17.565 1.00 0.00 C ATOM 0 H LEU A 414 -2.236 -8.989 -13.249 1.00 0.00 H new ATOM 0 HA LEU A 414 -3.543 -9.451 -15.728 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -1.203 -8.520 -15.313 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.673 -10.153 -14.963 1.00 0.00 H new ATOM 0 HG LEU A 414 -1.080 -10.907 -17.181 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.410 -9.617 -18.827 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -3.372 -9.989 -17.377 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.701 -8.357 -17.604 1.00 0.00 H new ATOM 0 HD21 LEU A 414 0.045 -9.235 -18.632 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -0.240 -7.979 -17.403 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.844 -9.345 -17.046 1.00 0.00 H new ATOM 1000 N ALA A 415 -2.568 -12.149 -14.110 1.00 0.00 N ATOM 1001 CA ALA A 415 -2.730 -13.630 -14.107 1.00 0.00 C ATOM 1002 C ALA A 415 -4.205 -13.971 -14.315 1.00 0.00 C ATOM 1003 O ALA A 415 -4.555 -14.781 -15.149 1.00 0.00 O ATOM 1004 CB ALA A 415 -2.258 -14.196 -12.765 1.00 0.00 C ATOM 0 H ALA A 415 -2.107 -11.760 -13.288 1.00 0.00 H new ATOM 0 HA ALA A 415 -2.134 -14.066 -14.909 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -2.377 -15.279 -12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -1.208 -13.947 -12.614 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -2.852 -13.765 -11.959 1.00 0.00 H new ATOM 1010 N THR A 416 -5.076 -13.352 -13.564 1.00 0.00 N ATOM 1011 CA THR A 416 -6.529 -13.633 -13.722 1.00 0.00 C ATOM 1012 C THR A 416 -6.950 -13.319 -15.158 1.00 0.00 C ATOM 1013 O THR A 416 -7.621 -14.099 -15.803 1.00 0.00 O ATOM 1014 CB THR A 416 -7.330 -12.758 -12.756 1.00 0.00 C ATOM 1015 OG1 THR A 416 -6.814 -12.915 -11.441 1.00 0.00 O ATOM 1016 CG2 THR A 416 -8.800 -13.176 -12.784 1.00 0.00 C ATOM 0 H THR A 416 -4.842 -12.664 -12.848 1.00 0.00 H new ATOM 0 HA THR A 416 -6.722 -14.683 -13.503 1.00 0.00 H new ATOM 0 HB THR A 416 -7.248 -11.714 -13.057 1.00 0.00 H new ATOM 0 HG1 THR A 416 -7.324 -12.354 -10.820 1.00 0.00 H new ATOM 0 HG21 THR A 416 -9.369 -12.552 -12.095 1.00 0.00 H new ATOM 0 HG22 THR A 416 -9.194 -13.055 -13.793 1.00 0.00 H new ATOM 0 HG23 THR A 416 -8.887 -14.220 -12.484 1.00 0.00 H new