USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 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 92:sc= 0.924 USER MOD Single : A 360 THR OG1 : rot -18:sc= -1.38 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 95:sc= 0.353 USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 MET CE :methyl -158:sc= -18.9! (180deg=-19.7!) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 THR OG1 : rot -179:sc= -0.0803 USER MOD Single : A 411 LYS NZ :NH3+ 154:sc= -0.354 (180deg=-1.53!) USER MOD Single : A 412 ASN : amide:sc= -1.95! C(o=-1.9!,f=-2.4!) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 354 -12.064 4.269 -17.540 1.00 0.00 N ATOM 44 CA ALA A 354 -12.097 2.810 -17.233 1.00 0.00 C ATOM 45 C ALA A 354 -10.761 2.387 -16.620 1.00 0.00 C ATOM 46 O ALA A 354 -10.699 1.493 -15.799 1.00 0.00 O ATOM 47 CB ALA A 354 -12.338 2.024 -18.524 1.00 0.00 C ATOM 0 HA ALA A 354 -12.901 2.605 -16.526 1.00 0.00 H new ATOM 0 HB1 ALA A 354 -12.362 0.957 -18.301 1.00 0.00 H new ATOM 0 HB2 ALA A 354 -13.290 2.325 -18.961 1.00 0.00 H new ATOM 0 HB3 ALA A 354 -11.533 2.229 -19.230 1.00 0.00 H new ATOM 53 N ALA A 355 -9.690 3.022 -17.012 1.00 0.00 N ATOM 54 CA ALA A 355 -8.359 2.655 -16.451 1.00 0.00 C ATOM 55 C ALA A 355 -8.320 3.001 -14.961 1.00 0.00 C ATOM 56 O ALA A 355 -7.603 2.391 -14.191 1.00 0.00 O ATOM 57 CB ALA A 355 -7.266 3.432 -17.188 1.00 0.00 C ATOM 0 H ALA A 355 -9.679 3.779 -17.696 1.00 0.00 H new ATOM 0 HA ALA A 355 -8.192 1.585 -16.577 1.00 0.00 H new ATOM 0 HB1 ALA A 355 -6.291 3.165 -16.779 1.00 0.00 H new ATOM 0 HB2 ALA A 355 -7.295 3.183 -18.249 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -7.432 4.502 -17.062 1.00 0.00 H new ATOM 63 N ILE A 356 -9.089 3.970 -14.547 1.00 0.00 N ATOM 64 CA ILE A 356 -9.099 4.350 -13.106 1.00 0.00 C ATOM 65 C ILE A 356 -9.815 3.264 -12.305 1.00 0.00 C ATOM 66 O ILE A 356 -9.330 2.803 -11.291 1.00 0.00 O ATOM 67 CB ILE A 356 -9.834 5.683 -12.937 1.00 0.00 C ATOM 68 CG1 ILE A 356 -9.228 6.722 -13.881 1.00 0.00 C ATOM 69 CG2 ILE A 356 -9.694 6.166 -11.492 1.00 0.00 C ATOM 70 CD1 ILE A 356 -7.725 6.832 -13.618 1.00 0.00 C ATOM 0 H ILE A 356 -9.711 4.515 -15.144 1.00 0.00 H new ATOM 0 HA ILE A 356 -8.076 4.454 -12.745 1.00 0.00 H new ATOM 0 HB ILE A 356 -10.889 5.547 -13.173 1.00 0.00 H new ATOM 0 HG12 ILE A 356 -9.407 6.436 -14.917 1.00 0.00 H new ATOM 0 HG13 ILE A 356 -9.707 7.690 -13.730 1.00 0.00 H new ATOM 0 HG21 ILE A 356 -10.217 7.115 -11.373 1.00 0.00 H new ATOM 0 HG22 ILE A 356 -10.126 5.426 -10.818 1.00 0.00 H new ATOM 0 HG23 ILE A 356 -8.639 6.302 -11.254 1.00 0.00 H new ATOM 0 HD11 ILE A 356 -7.291 7.572 -14.290 1.00 0.00 H new ATOM 0 HD12 ILE A 356 -7.558 7.138 -12.585 1.00 0.00 H new ATOM 0 HD13 ILE A 356 -7.254 5.865 -13.791 1.00 0.00 H new ATOM 82 N ASP A 357 -10.965 2.851 -12.755 1.00 0.00 N ATOM 83 CA ASP A 357 -11.716 1.791 -12.026 1.00 0.00 C ATOM 84 C ASP A 357 -10.997 0.452 -12.192 1.00 0.00 C ATOM 85 O ASP A 357 -10.907 -0.332 -11.269 1.00 0.00 O ATOM 86 CB ASP A 357 -13.133 1.686 -12.593 1.00 0.00 C ATOM 87 CG ASP A 357 -13.909 2.965 -12.270 1.00 0.00 C ATOM 88 OD1 ASP A 357 -13.436 3.729 -11.446 1.00 0.00 O ATOM 89 OD2 ASP A 357 -14.963 3.157 -12.854 1.00 0.00 O ATOM 0 H ASP A 357 -11.419 3.202 -13.598 1.00 0.00 H new ATOM 0 HA ASP A 357 -11.769 2.046 -10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 357 -13.094 1.534 -13.672 1.00 0.00 H new ATOM 0 HB3 ASP A 357 -13.643 0.822 -12.168 1.00 0.00 H new ATOM 94 N THR A 358 -10.477 0.181 -13.358 1.00 0.00 N ATOM 95 CA THR A 358 -9.762 -1.108 -13.563 1.00 0.00 C ATOM 96 C THR A 358 -8.700 -1.258 -12.477 1.00 0.00 C ATOM 97 O THR A 358 -8.705 -2.202 -11.712 1.00 0.00 O ATOM 98 CB THR A 358 -9.094 -1.113 -14.941 1.00 0.00 C ATOM 99 OG1 THR A 358 -10.060 -0.801 -15.935 1.00 0.00 O ATOM 100 CG2 THR A 358 -8.504 -2.496 -15.218 1.00 0.00 C ATOM 0 H THR A 358 -10.516 0.793 -14.173 1.00 0.00 H new ATOM 0 HA THR A 358 -10.468 -1.937 -13.508 1.00 0.00 H new ATOM 0 HB THR A 358 -8.297 -0.369 -14.962 1.00 0.00 H new ATOM 0 HG1 THR A 358 -10.066 0.166 -16.093 1.00 0.00 H new ATOM 0 HG21 THR A 358 -8.029 -2.499 -16.199 1.00 0.00 H new ATOM 0 HG22 THR A 358 -7.763 -2.735 -14.455 1.00 0.00 H new ATOM 0 HG23 THR A 358 -9.299 -3.241 -15.198 1.00 0.00 H new ATOM 108 N PHE A 359 -7.797 -0.325 -12.398 1.00 0.00 N ATOM 109 CA PHE A 359 -6.740 -0.397 -11.355 1.00 0.00 C ATOM 110 C PHE A 359 -7.406 -0.552 -9.986 1.00 0.00 C ATOM 111 O PHE A 359 -6.970 -1.326 -9.157 1.00 0.00 O ATOM 112 CB PHE A 359 -5.910 0.891 -11.382 1.00 0.00 C ATOM 113 CG PHE A 359 -5.037 0.921 -12.619 1.00 0.00 C ATOM 114 CD1 PHE A 359 -4.882 -0.228 -13.408 1.00 0.00 C ATOM 115 CD2 PHE A 359 -4.378 2.105 -12.976 1.00 0.00 C ATOM 116 CE1 PHE A 359 -4.072 -0.191 -14.550 1.00 0.00 C ATOM 117 CE2 PHE A 359 -3.568 2.141 -14.117 1.00 0.00 C ATOM 118 CZ PHE A 359 -3.415 0.993 -14.904 1.00 0.00 C ATOM 0 H PHE A 359 -7.745 0.487 -13.013 1.00 0.00 H new ATOM 0 HA PHE A 359 -6.086 -1.248 -11.545 1.00 0.00 H new ATOM 0 HB2 PHE A 359 -6.570 1.758 -11.372 1.00 0.00 H new ATOM 0 HB3 PHE A 359 -5.290 0.952 -10.488 1.00 0.00 H new ATOM 0 HD1 PHE A 359 -5.388 -1.142 -13.135 1.00 0.00 H new ATOM 0 HD2 PHE A 359 -4.495 2.991 -12.370 1.00 0.00 H new ATOM 0 HE1 PHE A 359 -3.954 -1.076 -15.157 1.00 0.00 H new ATOM 0 HE2 PHE A 359 -3.061 3.054 -14.390 1.00 0.00 H new ATOM 0 HZ PHE A 359 -2.790 1.021 -15.784 1.00 0.00 H new ATOM 128 N THR A 360 -8.469 0.171 -9.746 1.00 0.00 N ATOM 129 CA THR A 360 -9.166 0.052 -8.435 1.00 0.00 C ATOM 130 C THR A 360 -9.748 -1.356 -8.308 1.00 0.00 C ATOM 131 O THR A 360 -9.875 -1.893 -7.225 1.00 0.00 O ATOM 132 CB THR A 360 -10.299 1.080 -8.350 1.00 0.00 C ATOM 133 OG1 THR A 360 -11.311 0.746 -9.289 1.00 0.00 O ATOM 134 CG2 THR A 360 -9.751 2.473 -8.659 1.00 0.00 C ATOM 0 H THR A 360 -8.882 0.836 -10.400 1.00 0.00 H new ATOM 0 HA THR A 360 -8.457 0.237 -7.628 1.00 0.00 H new ATOM 0 HB THR A 360 -10.721 1.074 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 360 -10.946 0.131 -9.959 1.00 0.00 H new ATOM 0 HG21 THR A 360 -10.558 3.203 -8.598 1.00 0.00 H new ATOM 0 HG22 THR A 360 -8.976 2.728 -7.936 1.00 0.00 H new ATOM 0 HG23 THR A 360 -9.328 2.483 -9.663 1.00 0.00 H new ATOM 142 N LYS A 361 -10.099 -1.958 -9.411 1.00 0.00 N ATOM 143 CA LYS A 361 -10.668 -3.332 -9.360 1.00 0.00 C ATOM 144 C LYS A 361 -9.531 -4.343 -9.212 1.00 0.00 C ATOM 145 O LYS A 361 -9.670 -5.360 -8.561 1.00 0.00 O ATOM 146 CB LYS A 361 -11.433 -3.618 -10.655 1.00 0.00 C ATOM 147 CG LYS A 361 -11.833 -5.093 -10.691 1.00 0.00 C ATOM 148 CD LYS A 361 -12.412 -5.432 -12.067 1.00 0.00 C ATOM 149 CE LYS A 361 -13.157 -6.766 -11.990 1.00 0.00 C ATOM 150 NZ LYS A 361 -14.597 -6.549 -12.308 1.00 0.00 N ATOM 0 H LYS A 361 -10.016 -1.557 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 361 -11.347 -3.413 -8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 361 -12.320 -2.987 -10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 361 -10.813 -3.376 -11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 361 -10.966 -5.721 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 361 -12.569 -5.300 -9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 361 -13.089 -4.643 -12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 361 -11.613 -5.491 -12.806 1.00 0.00 H new ATOM 0 HE2 LYS A 361 -12.722 -7.479 -12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 361 -13.054 -7.195 -10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 361 -15.104 -7.455 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 361 -15.007 -5.883 -11.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 361 -14.685 -6.157 -13.267 1.00 0.00 H new ATOM 164 N TYR A 362 -8.409 -4.075 -9.822 1.00 0.00 N ATOM 165 CA TYR A 362 -7.264 -5.023 -9.731 1.00 0.00 C ATOM 166 C TYR A 362 -6.234 -4.508 -8.720 1.00 0.00 C ATOM 167 O TYR A 362 -5.987 -5.127 -7.704 1.00 0.00 O ATOM 168 CB TYR A 362 -6.613 -5.151 -11.108 1.00 0.00 C ATOM 169 CG TYR A 362 -7.567 -5.856 -12.042 1.00 0.00 C ATOM 170 CD1 TYR A 362 -8.508 -5.117 -12.770 1.00 0.00 C ATOM 171 CD2 TYR A 362 -7.517 -7.248 -12.175 1.00 0.00 C ATOM 172 CE1 TYR A 362 -9.397 -5.770 -13.631 1.00 0.00 C ATOM 173 CE2 TYR A 362 -8.405 -7.901 -13.037 1.00 0.00 C ATOM 174 CZ TYR A 362 -9.346 -7.162 -13.765 1.00 0.00 C ATOM 175 OH TYR A 362 -10.223 -7.806 -14.614 1.00 0.00 O ATOM 0 H TYR A 362 -8.236 -3.239 -10.380 1.00 0.00 H new ATOM 0 HA TYR A 362 -7.625 -5.997 -9.400 1.00 0.00 H new ATOM 0 HB2 TYR A 362 -6.364 -4.165 -11.499 1.00 0.00 H new ATOM 0 HB3 TYR A 362 -5.680 -5.709 -11.032 1.00 0.00 H new ATOM 0 HD1 TYR A 362 -8.547 -4.043 -12.667 1.00 0.00 H new ATOM 0 HD2 TYR A 362 -6.793 -7.818 -11.612 1.00 0.00 H new ATOM 0 HE1 TYR A 362 -10.122 -5.200 -14.192 1.00 0.00 H new ATOM 0 HE2 TYR A 362 -8.365 -8.975 -13.141 1.00 0.00 H new ATOM 0 HH TYR A 362 -10.052 -8.771 -14.590 1.00 0.00 H new ATOM 185 N LEU A 363 -5.626 -3.385 -8.990 1.00 0.00 N ATOM 186 CA LEU A 363 -4.610 -2.842 -8.043 1.00 0.00 C ATOM 187 C LEU A 363 -5.244 -2.642 -6.664 1.00 0.00 C ATOM 188 O LEU A 363 -4.558 -2.460 -5.678 1.00 0.00 O ATOM 189 CB LEU A 363 -4.089 -1.496 -8.561 1.00 0.00 C ATOM 190 CG LEU A 363 -3.077 -1.711 -9.697 1.00 0.00 C ATOM 191 CD1 LEU A 363 -2.300 -3.011 -9.474 1.00 0.00 C ATOM 192 CD2 LEU A 363 -3.815 -1.782 -11.036 1.00 0.00 C ATOM 0 H LEU A 363 -5.788 -2.821 -9.824 1.00 0.00 H new ATOM 0 HA LEU A 363 -3.783 -3.547 -7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 363 -4.922 -0.890 -8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 363 -3.619 -0.944 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 363 -2.377 -0.876 -9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 363 -1.586 -3.152 -10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 363 -1.765 -2.957 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 363 -2.995 -3.851 -9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 363 -3.095 -1.934 -11.840 1.00 0.00 H new ATOM 0 HD22 LEU A 363 -4.521 -2.612 -11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 363 -4.355 -0.850 -11.204 1.00 0.00 H new ATOM 204 N ASP A 364 -6.545 -2.675 -6.581 1.00 0.00 N ATOM 205 CA ASP A 364 -7.209 -2.485 -5.260 1.00 0.00 C ATOM 206 C ASP A 364 -6.834 -1.112 -4.703 1.00 0.00 C ATOM 207 O ASP A 364 -6.479 -0.971 -3.550 1.00 0.00 O ATOM 208 CB ASP A 364 -6.743 -3.573 -4.292 1.00 0.00 C ATOM 209 CG ASP A 364 -7.245 -4.935 -4.776 1.00 0.00 C ATOM 210 OD1 ASP A 364 -8.105 -4.954 -5.642 1.00 0.00 O ATOM 211 OD2 ASP A 364 -6.762 -5.935 -4.273 1.00 0.00 O ATOM 0 H ASP A 364 -7.176 -2.825 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 364 -8.290 -2.549 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 364 -5.655 -3.576 -4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -7.121 -3.369 -3.290 1.00 0.00 H new ATOM 216 N ILE A 365 -6.908 -0.101 -5.521 1.00 0.00 N ATOM 217 CA ILE A 365 -6.555 1.268 -5.053 1.00 0.00 C ATOM 218 C ILE A 365 -7.735 2.210 -5.294 1.00 0.00 C ATOM 219 O ILE A 365 -8.751 1.823 -5.838 1.00 0.00 O ATOM 220 CB ILE A 365 -5.336 1.771 -5.828 1.00 0.00 C ATOM 221 CG1 ILE A 365 -5.415 1.286 -7.277 1.00 0.00 C ATOM 222 CG2 ILE A 365 -4.063 1.228 -5.177 1.00 0.00 C ATOM 223 CD1 ILE A 365 -5.005 2.421 -8.218 1.00 0.00 C ATOM 0 H ILE A 365 -7.199 -0.163 -6.497 1.00 0.00 H new ATOM 0 HA ILE A 365 -6.324 1.240 -3.988 1.00 0.00 H new ATOM 0 HB ILE A 365 -5.318 2.861 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 365 -4.760 0.426 -7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -6.428 0.957 -7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 365 -3.192 1.585 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 365 -4.006 1.573 -4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 365 -4.082 0.138 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -5.061 2.076 -9.250 1.00 0.00 H new ATOM 0 HD12 ILE A 365 -5.678 3.268 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 365 -3.984 2.729 -7.993 1.00 0.00 H new ATOM 235 N ASP A 366 -7.609 3.446 -4.896 1.00 0.00 N ATOM 236 CA ASP A 366 -8.723 4.411 -5.106 1.00 0.00 C ATOM 237 C ASP A 366 -8.569 5.067 -6.478 1.00 0.00 C ATOM 238 O ASP A 366 -7.524 4.998 -7.095 1.00 0.00 O ATOM 239 CB ASP A 366 -8.688 5.485 -4.017 1.00 0.00 C ATOM 240 CG ASP A 366 -8.649 4.817 -2.640 1.00 0.00 C ATOM 241 OD1 ASP A 366 -9.071 3.676 -2.545 1.00 0.00 O ATOM 242 OD2 ASP A 366 -8.199 5.458 -1.705 1.00 0.00 O ATOM 0 H ASP A 366 -6.783 3.828 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 366 -9.676 3.883 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -7.814 6.122 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -9.565 6.127 -4.097 1.00 0.00 H new ATOM 247 N GLU A 367 -9.601 5.696 -6.964 1.00 0.00 N ATOM 248 CA GLU A 367 -9.515 6.350 -8.300 1.00 0.00 C ATOM 249 C GLU A 367 -8.463 7.458 -8.265 1.00 0.00 C ATOM 250 O GLU A 367 -7.658 7.593 -9.165 1.00 0.00 O ATOM 251 CB GLU A 367 -10.877 6.945 -8.663 1.00 0.00 C ATOM 252 CG GLU A 367 -11.910 5.821 -8.760 1.00 0.00 C ATOM 253 CD GLU A 367 -13.250 6.400 -9.216 1.00 0.00 C ATOM 254 OE1 GLU A 367 -13.366 7.614 -9.256 1.00 0.00 O ATOM 255 OE2 GLU A 367 -14.139 5.619 -9.516 1.00 0.00 O ATOM 0 H GLU A 367 -10.502 5.786 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 367 -9.230 5.610 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 367 -11.182 7.671 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 367 -10.813 7.478 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 367 -11.571 5.061 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 367 -12.023 5.332 -7.793 1.00 0.00 H new ATOM 262 N ASP A 368 -8.464 8.253 -7.233 1.00 0.00 N ATOM 263 CA ASP A 368 -7.465 9.356 -7.140 1.00 0.00 C ATOM 264 C ASP A 368 -6.052 8.779 -7.246 1.00 0.00 C ATOM 265 O ASP A 368 -5.155 9.404 -7.778 1.00 0.00 O ATOM 266 CB ASP A 368 -7.621 10.074 -5.799 1.00 0.00 C ATOM 267 CG ASP A 368 -8.979 10.777 -5.752 1.00 0.00 C ATOM 268 OD1 ASP A 368 -9.610 10.876 -6.791 1.00 0.00 O ATOM 269 OD2 ASP A 368 -9.365 11.204 -4.676 1.00 0.00 O ATOM 0 H ASP A 368 -9.113 8.188 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 368 -7.630 10.062 -7.953 1.00 0.00 H new ATOM 0 HB2 ASP A 368 -7.541 9.359 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 368 -6.819 10.800 -5.668 1.00 0.00 H new ATOM 274 N PHE A 369 -5.844 7.591 -6.747 1.00 0.00 N ATOM 275 CA PHE A 369 -4.488 6.979 -6.826 1.00 0.00 C ATOM 276 C PHE A 369 -4.299 6.349 -8.206 1.00 0.00 C ATOM 277 O PHE A 369 -3.325 6.600 -8.888 1.00 0.00 O ATOM 278 CB PHE A 369 -4.346 5.901 -5.750 1.00 0.00 C ATOM 279 CG PHE A 369 -2.940 5.349 -5.773 1.00 0.00 C ATOM 280 CD1 PHE A 369 -2.587 4.369 -6.708 1.00 0.00 C ATOM 281 CD2 PHE A 369 -1.990 5.819 -4.859 1.00 0.00 C ATOM 282 CE1 PHE A 369 -1.284 3.859 -6.730 1.00 0.00 C ATOM 283 CE2 PHE A 369 -0.686 5.309 -4.880 1.00 0.00 C ATOM 284 CZ PHE A 369 -0.333 4.329 -5.815 1.00 0.00 C ATOM 0 H PHE A 369 -6.553 7.019 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 369 -3.732 7.748 -6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 369 -4.568 6.320 -4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 369 -5.065 5.101 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 369 -3.321 4.006 -7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 369 -2.263 6.575 -4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 369 -1.012 3.103 -7.452 1.00 0.00 H new ATOM 0 HE2 PHE A 369 0.047 5.672 -4.175 1.00 0.00 H new ATOM 0 HZ PHE A 369 0.673 3.935 -5.831 1.00 0.00 H new ATOM 294 N ALA A 370 -5.228 5.534 -8.626 1.00 0.00 N ATOM 295 CA ALA A 370 -5.107 4.890 -9.963 1.00 0.00 C ATOM 296 C ALA A 370 -4.811 5.960 -11.015 1.00 0.00 C ATOM 297 O ALA A 370 -3.893 5.835 -11.800 1.00 0.00 O ATOM 298 CB ALA A 370 -6.418 4.184 -10.310 1.00 0.00 C ATOM 0 H ALA A 370 -6.066 5.287 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 370 -4.297 4.161 -9.945 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -6.329 3.713 -11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.632 3.423 -9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -7.229 4.912 -10.330 1.00 0.00 H new ATOM 304 N THR A 371 -5.586 7.010 -11.041 1.00 0.00 N ATOM 305 CA THR A 371 -5.350 8.083 -12.046 1.00 0.00 C ATOM 306 C THR A 371 -3.865 8.438 -12.074 1.00 0.00 C ATOM 307 O THR A 371 -3.291 8.649 -13.119 1.00 0.00 O ATOM 308 CB THR A 371 -6.162 9.327 -11.679 1.00 0.00 C ATOM 309 OG1 THR A 371 -7.441 8.933 -11.200 1.00 0.00 O ATOM 310 CG2 THR A 371 -6.328 10.211 -12.916 1.00 0.00 C ATOM 0 H THR A 371 -6.371 7.170 -10.410 1.00 0.00 H new ATOM 0 HA THR A 371 -5.660 7.727 -13.028 1.00 0.00 H new ATOM 0 HB THR A 371 -5.641 9.886 -10.902 1.00 0.00 H new ATOM 0 HG1 THR A 371 -7.422 8.880 -10.222 1.00 0.00 H new ATOM 0 HG21 THR A 371 -6.906 11.097 -12.655 1.00 0.00 H new ATOM 0 HG22 THR A 371 -5.347 10.513 -13.282 1.00 0.00 H new ATOM 0 HG23 THR A 371 -6.849 9.654 -13.694 1.00 0.00 H new ATOM 318 N VAL A 372 -3.236 8.515 -10.935 1.00 0.00 N ATOM 319 CA VAL A 372 -1.788 8.866 -10.911 1.00 0.00 C ATOM 320 C VAL A 372 -0.992 7.836 -11.716 1.00 0.00 C ATOM 321 O VAL A 372 0.008 8.155 -12.327 1.00 0.00 O ATOM 322 CB VAL A 372 -1.293 8.880 -9.465 1.00 0.00 C ATOM 323 CG1 VAL A 372 0.227 9.045 -9.446 1.00 0.00 C ATOM 324 CG2 VAL A 372 -1.944 10.046 -8.722 1.00 0.00 C ATOM 0 H VAL A 372 -3.660 8.351 -10.022 1.00 0.00 H new ATOM 0 HA VAL A 372 -1.648 9.852 -11.354 1.00 0.00 H new ATOM 0 HB VAL A 372 -1.559 7.942 -8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 372 0.579 9.055 -8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 372 0.690 8.215 -9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 372 0.497 9.983 -9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 372 -1.594 10.060 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 372 -1.675 10.983 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 372 -3.027 9.927 -8.736 1.00 0.00 H new ATOM 334 N LEU A 373 -1.430 6.607 -11.734 1.00 0.00 N ATOM 335 CA LEU A 373 -0.696 5.575 -12.516 1.00 0.00 C ATOM 336 C LEU A 373 -1.070 5.725 -13.989 1.00 0.00 C ATOM 337 O LEU A 373 -0.225 5.714 -14.862 1.00 0.00 O ATOM 338 CB LEU A 373 -1.084 4.177 -12.024 1.00 0.00 C ATOM 339 CG LEU A 373 -0.707 4.021 -10.546 1.00 0.00 C ATOM 340 CD1 LEU A 373 0.569 4.814 -10.249 1.00 0.00 C ATOM 341 CD2 LEU A 373 -1.846 4.544 -9.671 1.00 0.00 C ATOM 0 H LEU A 373 -2.260 6.275 -11.243 1.00 0.00 H new ATOM 0 HA LEU A 373 0.379 5.706 -12.388 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -2.155 4.021 -12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -0.577 3.418 -12.620 1.00 0.00 H new ATOM 0 HG LEU A 373 -0.534 2.967 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 373 0.832 4.700 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 373 1.383 4.439 -10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 373 0.401 5.868 -10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -1.578 4.433 -8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -2.020 5.597 -9.892 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -2.753 3.975 -9.876 1.00 0.00 H new ATOM 353 N VAL A 374 -2.335 5.883 -14.268 1.00 0.00 N ATOM 354 CA VAL A 374 -2.772 6.055 -15.680 1.00 0.00 C ATOM 355 C VAL A 374 -2.397 7.464 -16.138 1.00 0.00 C ATOM 356 O VAL A 374 -2.125 7.706 -17.297 1.00 0.00 O ATOM 357 CB VAL A 374 -4.288 5.875 -15.766 1.00 0.00 C ATOM 358 CG1 VAL A 374 -4.764 6.228 -17.176 1.00 0.00 C ATOM 359 CG2 VAL A 374 -4.646 4.422 -15.452 1.00 0.00 C ATOM 0 H VAL A 374 -3.085 5.900 -13.577 1.00 0.00 H new ATOM 0 HA VAL A 374 -2.286 5.316 -16.317 1.00 0.00 H new ATOM 0 HB VAL A 374 -4.775 6.532 -15.045 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -5.845 6.100 -17.238 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.508 7.264 -17.398 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -4.279 5.572 -17.899 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -5.727 4.292 -15.513 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -4.160 3.764 -16.172 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -4.307 4.173 -14.447 1.00 0.00 H new ATOM 369 N GLU A 375 -2.378 8.394 -15.222 1.00 0.00 N ATOM 370 CA GLU A 375 -2.018 9.794 -15.573 1.00 0.00 C ATOM 371 C GLU A 375 -0.559 9.833 -16.024 1.00 0.00 C ATOM 372 O GLU A 375 -0.212 10.483 -16.991 1.00 0.00 O ATOM 373 CB GLU A 375 -2.197 10.682 -14.340 1.00 0.00 C ATOM 374 CG GLU A 375 -3.670 11.074 -14.201 1.00 0.00 C ATOM 375 CD GLU A 375 -4.093 11.900 -15.418 1.00 0.00 C ATOM 376 OE1 GLU A 375 -3.218 12.424 -16.087 1.00 0.00 O ATOM 377 OE2 GLU A 375 -5.286 11.995 -15.659 1.00 0.00 O ATOM 0 H GLU A 375 -2.599 8.241 -14.238 1.00 0.00 H new ATOM 0 HA GLU A 375 -2.660 10.155 -16.377 1.00 0.00 H new ATOM 0 HB2 GLU A 375 -1.865 10.153 -13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 375 -1.579 11.575 -14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 375 -4.289 10.181 -14.121 1.00 0.00 H new ATOM 0 HG3 GLU A 375 -3.820 11.649 -13.287 1.00 0.00 H new ATOM 384 N GLU A 376 0.296 9.136 -15.330 1.00 0.00 N ATOM 385 CA GLU A 376 1.734 9.123 -15.713 1.00 0.00 C ATOM 386 C GLU A 376 1.893 8.411 -17.058 1.00 0.00 C ATOM 387 O GLU A 376 2.780 8.715 -17.830 1.00 0.00 O ATOM 388 CB GLU A 376 2.537 8.379 -14.644 1.00 0.00 C ATOM 389 CG GLU A 376 4.024 8.425 -14.997 1.00 0.00 C ATOM 390 CD GLU A 376 4.581 9.814 -14.678 1.00 0.00 C ATOM 391 OE1 GLU A 376 3.977 10.501 -13.870 1.00 0.00 O ATOM 392 OE2 GLU A 376 5.601 10.166 -15.247 1.00 0.00 O ATOM 0 H GLU A 376 0.060 8.574 -14.512 1.00 0.00 H new ATOM 0 HA GLU A 376 2.100 10.146 -15.797 1.00 0.00 H new ATOM 0 HB2 GLU A 376 2.370 8.833 -13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 376 2.201 7.344 -14.576 1.00 0.00 H new ATOM 0 HG2 GLU A 376 4.566 7.666 -14.433 1.00 0.00 H new ATOM 0 HG3 GLU A 376 4.165 8.199 -16.054 1.00 0.00 H new ATOM 399 N GLY A 377 1.039 7.466 -17.345 1.00 0.00 N ATOM 400 CA GLY A 377 1.142 6.739 -18.641 1.00 0.00 C ATOM 401 C GLY A 377 1.040 5.230 -18.398 1.00 0.00 C ATOM 402 O GLY A 377 1.596 4.436 -19.130 1.00 0.00 O ATOM 0 H GLY A 377 0.276 7.167 -16.738 1.00 0.00 H new ATOM 0 HA2 GLY A 377 0.348 7.063 -19.314 1.00 0.00 H new ATOM 0 HA3 GLY A 377 2.089 6.975 -19.127 1.00 0.00 H new ATOM 406 N PHE A 378 0.334 4.828 -17.377 1.00 0.00 N ATOM 407 CA PHE A 378 0.198 3.371 -17.092 1.00 0.00 C ATOM 408 C PHE A 378 -1.281 2.981 -17.125 1.00 0.00 C ATOM 409 O PHE A 378 -1.932 2.894 -16.104 1.00 0.00 O ATOM 410 CB PHE A 378 0.776 3.065 -15.708 1.00 0.00 C ATOM 411 CG PHE A 378 2.257 3.355 -15.705 1.00 0.00 C ATOM 412 CD1 PHE A 378 2.713 4.666 -15.520 1.00 0.00 C ATOM 413 CD2 PHE A 378 3.175 2.314 -15.888 1.00 0.00 C ATOM 414 CE1 PHE A 378 4.087 4.935 -15.518 1.00 0.00 C ATOM 415 CE2 PHE A 378 4.549 2.583 -15.885 1.00 0.00 C ATOM 416 CZ PHE A 378 5.005 3.894 -15.700 1.00 0.00 C ATOM 0 H PHE A 378 -0.154 5.445 -16.728 1.00 0.00 H new ATOM 0 HA PHE A 378 0.741 2.801 -17.846 1.00 0.00 H new ATOM 0 HB2 PHE A 378 0.275 3.669 -14.951 1.00 0.00 H new ATOM 0 HB3 PHE A 378 0.599 2.021 -15.451 1.00 0.00 H new ATOM 0 HD1 PHE A 378 2.005 5.469 -15.379 1.00 0.00 H new ATOM 0 HD2 PHE A 378 2.823 1.303 -16.032 1.00 0.00 H new ATOM 0 HE1 PHE A 378 4.439 5.946 -15.376 1.00 0.00 H new ATOM 0 HE2 PHE A 378 5.257 1.780 -16.025 1.00 0.00 H new ATOM 0 HZ PHE A 378 6.065 4.102 -15.698 1.00 0.00 H new ATOM 426 N SER A 379 -1.818 2.750 -18.292 1.00 0.00 N ATOM 427 CA SER A 379 -3.257 2.372 -18.387 1.00 0.00 C ATOM 428 C SER A 379 -3.388 0.848 -18.448 1.00 0.00 C ATOM 429 O SER A 379 -4.478 0.312 -18.480 1.00 0.00 O ATOM 430 CB SER A 379 -3.864 2.985 -19.650 1.00 0.00 C ATOM 431 OG SER A 379 -3.360 2.310 -20.793 1.00 0.00 O ATOM 0 H SER A 379 -1.324 2.807 -19.182 1.00 0.00 H new ATOM 0 HA SER A 379 -3.785 2.745 -17.510 1.00 0.00 H new ATOM 0 HB2 SER A 379 -4.951 2.908 -19.619 1.00 0.00 H new ATOM 0 HB3 SER A 379 -3.621 4.046 -19.705 1.00 0.00 H new ATOM 0 HG SER A 379 -3.750 2.701 -21.602 1.00 0.00 H new ATOM 437 N THR A 380 -2.290 0.145 -18.467 1.00 0.00 N ATOM 438 CA THR A 380 -2.360 -1.341 -18.528 1.00 0.00 C ATOM 439 C THR A 380 -1.686 -1.936 -17.292 1.00 0.00 C ATOM 440 O THR A 380 -0.652 -1.473 -16.854 1.00 0.00 O ATOM 441 CB THR A 380 -1.642 -1.834 -19.785 1.00 0.00 C ATOM 442 OG1 THR A 380 -2.193 -1.191 -20.926 1.00 0.00 O ATOM 443 CG2 THR A 380 -1.816 -3.347 -19.915 1.00 0.00 C ATOM 0 H THR A 380 -1.348 0.535 -18.443 1.00 0.00 H new ATOM 0 HA THR A 380 -3.404 -1.653 -18.558 1.00 0.00 H new ATOM 0 HB THR A 380 -0.580 -1.599 -19.713 1.00 0.00 H new ATOM 0 HG1 THR A 380 -1.733 -1.505 -21.732 1.00 0.00 H new ATOM 0 HG21 THR A 380 -1.304 -3.696 -20.811 1.00 0.00 H new ATOM 0 HG22 THR A 380 -1.392 -3.839 -19.040 1.00 0.00 H new ATOM 0 HG23 THR A 380 -2.877 -3.586 -19.987 1.00 0.00 H new ATOM 451 N LEU A 381 -2.262 -2.961 -16.727 1.00 0.00 N ATOM 452 CA LEU A 381 -1.650 -3.585 -15.522 1.00 0.00 C ATOM 453 C LEU A 381 -0.253 -4.098 -15.877 1.00 0.00 C ATOM 454 O LEU A 381 0.616 -4.199 -15.034 1.00 0.00 O ATOM 455 CB LEU A 381 -2.520 -4.752 -15.053 1.00 0.00 C ATOM 456 CG LEU A 381 -3.804 -4.209 -14.423 1.00 0.00 C ATOM 457 CD1 LEU A 381 -4.768 -3.767 -15.526 1.00 0.00 C ATOM 458 CD2 LEU A 381 -4.460 -5.305 -13.581 1.00 0.00 C ATOM 0 H LEU A 381 -3.129 -3.392 -17.048 1.00 0.00 H new ATOM 0 HA LEU A 381 -1.577 -2.847 -14.723 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -2.761 -5.401 -15.895 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -1.975 -5.358 -14.329 1.00 0.00 H new ATOM 0 HG LEU A 381 -3.565 -3.356 -13.788 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -5.683 -3.380 -15.076 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -4.301 -2.987 -16.126 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -5.008 -4.619 -16.162 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -5.375 -4.920 -13.131 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -4.699 -6.158 -14.216 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -3.774 -5.619 -12.795 1.00 0.00 H new ATOM 470 N GLU A 382 -0.033 -4.423 -17.122 1.00 0.00 N ATOM 471 CA GLU A 382 1.306 -4.929 -17.534 1.00 0.00 C ATOM 472 C GLU A 382 2.364 -3.858 -17.260 1.00 0.00 C ATOM 473 O GLU A 382 3.409 -4.133 -16.712 1.00 0.00 O ATOM 474 CB GLU A 382 1.288 -5.259 -19.028 1.00 0.00 C ATOM 475 CG GLU A 382 0.649 -6.634 -19.235 1.00 0.00 C ATOM 476 CD GLU A 382 0.546 -6.929 -20.733 1.00 0.00 C ATOM 477 OE1 GLU A 382 0.929 -6.072 -21.513 1.00 0.00 O ATOM 478 OE2 GLU A 382 0.087 -8.006 -21.074 1.00 0.00 O ATOM 0 H GLU A 382 -0.723 -4.360 -17.871 1.00 0.00 H new ATOM 0 HA GLU A 382 1.545 -5.828 -16.966 1.00 0.00 H new ATOM 0 HB2 GLU A 382 0.728 -4.499 -19.573 1.00 0.00 H new ATOM 0 HB3 GLU A 382 2.303 -5.253 -19.426 1.00 0.00 H new ATOM 0 HG2 GLU A 382 1.246 -7.402 -18.743 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -0.341 -6.659 -18.780 1.00 0.00 H new ATOM 485 N GLU A 383 2.105 -2.636 -17.633 1.00 0.00 N ATOM 486 CA GLU A 383 3.105 -1.562 -17.381 1.00 0.00 C ATOM 487 C GLU A 383 3.354 -1.451 -15.877 1.00 0.00 C ATOM 488 O GLU A 383 4.475 -1.310 -15.429 1.00 0.00 O ATOM 489 CB GLU A 383 2.570 -0.230 -17.908 1.00 0.00 C ATOM 490 CG GLU A 383 2.382 -0.320 -19.423 1.00 0.00 C ATOM 491 CD GLU A 383 2.146 1.081 -19.990 1.00 0.00 C ATOM 492 OE1 GLU A 383 2.191 2.026 -19.219 1.00 0.00 O ATOM 493 OE2 GLU A 383 1.926 1.185 -21.185 1.00 0.00 O ATOM 0 H GLU A 383 1.249 -2.336 -18.099 1.00 0.00 H new ATOM 0 HA GLU A 383 4.037 -1.804 -17.891 1.00 0.00 H new ATOM 0 HB2 GLU A 383 1.622 0.009 -17.427 1.00 0.00 H new ATOM 0 HB3 GLU A 383 3.263 0.575 -17.664 1.00 0.00 H new ATOM 0 HG2 GLU A 383 3.263 -0.767 -19.884 1.00 0.00 H new ATOM 0 HG3 GLU A 383 1.536 -0.967 -19.658 1.00 0.00 H new ATOM 500 N LEU A 384 2.313 -1.510 -15.094 1.00 0.00 N ATOM 501 CA LEU A 384 2.479 -1.404 -13.617 1.00 0.00 C ATOM 502 C LEU A 384 3.226 -2.629 -13.086 1.00 0.00 C ATOM 503 O LEU A 384 4.117 -2.520 -12.267 1.00 0.00 O ATOM 504 CB LEU A 384 1.101 -1.332 -12.956 1.00 0.00 C ATOM 505 CG LEU A 384 0.390 -0.042 -13.374 1.00 0.00 C ATOM 506 CD1 LEU A 384 -1.009 -0.011 -12.754 1.00 0.00 C ATOM 507 CD2 LEU A 384 1.190 1.169 -12.887 1.00 0.00 C ATOM 0 H LEU A 384 1.352 -1.627 -15.414 1.00 0.00 H new ATOM 0 HA LEU A 384 3.050 -0.505 -13.386 1.00 0.00 H new ATOM 0 HB2 LEU A 384 0.504 -2.197 -13.245 1.00 0.00 H new ATOM 0 HB3 LEU A 384 1.206 -1.365 -11.872 1.00 0.00 H new ATOM 0 HG LEU A 384 0.311 -0.008 -14.461 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -1.518 0.906 -13.050 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -1.580 -0.871 -13.102 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -0.926 -0.046 -11.668 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.681 2.085 -13.186 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.272 1.138 -11.801 1.00 0.00 H new ATOM 0 HD23 LEU A 384 2.187 1.147 -13.327 1.00 0.00 H new ATOM 519 N ALA A 385 2.859 -3.795 -13.536 1.00 0.00 N ATOM 520 CA ALA A 385 3.533 -5.033 -13.049 1.00 0.00 C ATOM 521 C ALA A 385 4.866 -5.230 -13.774 1.00 0.00 C ATOM 522 O ALA A 385 5.834 -5.686 -13.198 1.00 0.00 O ATOM 523 CB ALA A 385 2.632 -6.238 -13.319 1.00 0.00 C ATOM 0 H ALA A 385 2.119 -3.946 -14.222 1.00 0.00 H new ATOM 0 HA ALA A 385 3.719 -4.938 -11.979 1.00 0.00 H new ATOM 0 HB1 ALA A 385 3.121 -7.145 -12.964 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.685 -6.108 -12.796 1.00 0.00 H new ATOM 0 HB3 ALA A 385 2.446 -6.321 -14.390 1.00 0.00 H new ATOM 529 N TYR A 386 4.923 -4.900 -15.032 1.00 0.00 N ATOM 530 CA TYR A 386 6.192 -5.079 -15.791 1.00 0.00 C ATOM 531 C TYR A 386 7.220 -4.061 -15.300 1.00 0.00 C ATOM 532 O TYR A 386 8.399 -4.341 -15.227 1.00 0.00 O ATOM 533 CB TYR A 386 5.928 -4.877 -17.285 1.00 0.00 C ATOM 534 CG TYR A 386 5.151 -6.058 -17.825 1.00 0.00 C ATOM 535 CD1 TYR A 386 4.033 -6.545 -17.132 1.00 0.00 C ATOM 536 CD2 TYR A 386 5.547 -6.666 -19.023 1.00 0.00 C ATOM 537 CE1 TYR A 386 3.315 -7.633 -17.635 1.00 0.00 C ATOM 538 CE2 TYR A 386 4.827 -7.757 -19.526 1.00 0.00 C ATOM 539 CZ TYR A 386 3.711 -8.241 -18.832 1.00 0.00 C ATOM 540 OH TYR A 386 3.002 -9.315 -19.328 1.00 0.00 O ATOM 0 H TYR A 386 4.146 -4.514 -15.569 1.00 0.00 H new ATOM 0 HA TYR A 386 6.578 -6.086 -15.632 1.00 0.00 H new ATOM 0 HB2 TYR A 386 5.368 -3.956 -17.445 1.00 0.00 H new ATOM 0 HB3 TYR A 386 6.871 -4.773 -17.821 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.726 -6.078 -16.208 1.00 0.00 H new ATOM 0 HD2 TYR A 386 6.408 -6.294 -19.559 1.00 0.00 H new ATOM 0 HE1 TYR A 386 2.454 -8.005 -17.100 1.00 0.00 H new ATOM 0 HE2 TYR A 386 5.133 -8.225 -20.450 1.00 0.00 H new ATOM 0 HH TYR A 386 3.409 -9.617 -20.167 1.00 0.00 H new ATOM 550 N VAL A 387 6.780 -2.885 -14.947 1.00 0.00 N ATOM 551 CA VAL A 387 7.731 -1.858 -14.442 1.00 0.00 C ATOM 552 C VAL A 387 8.166 -2.251 -13.030 1.00 0.00 C ATOM 553 O VAL A 387 7.360 -2.665 -12.221 1.00 0.00 O ATOM 554 CB VAL A 387 7.041 -0.493 -14.409 1.00 0.00 C ATOM 555 CG1 VAL A 387 6.019 -0.465 -13.271 1.00 0.00 C ATOM 556 CG2 VAL A 387 8.085 0.602 -14.186 1.00 0.00 C ATOM 0 H VAL A 387 5.804 -2.592 -14.987 1.00 0.00 H new ATOM 0 HA VAL A 387 8.601 -1.799 -15.096 1.00 0.00 H new ATOM 0 HB VAL A 387 6.532 -0.320 -15.357 1.00 0.00 H new ATOM 0 HG11 VAL A 387 5.527 0.508 -13.247 1.00 0.00 H new ATOM 0 HG12 VAL A 387 5.274 -1.244 -13.432 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.526 -0.638 -12.322 1.00 0.00 H new ATOM 0 HG21 VAL A 387 7.593 1.574 -14.163 1.00 0.00 H new ATOM 0 HG22 VAL A 387 8.595 0.431 -13.238 1.00 0.00 H new ATOM 0 HG23 VAL A 387 8.812 0.583 -14.998 1.00 0.00 H new ATOM 566 N PRO A 388 9.467 -2.132 -12.730 1.00 0.00 N ATOM 567 CA PRO A 388 10.003 -2.491 -11.414 1.00 0.00 C ATOM 568 C PRO A 388 9.569 -1.513 -10.324 1.00 0.00 C ATOM 569 O PRO A 388 9.072 -0.437 -10.591 1.00 0.00 O ATOM 570 CB PRO A 388 11.513 -2.414 -11.602 1.00 0.00 C ATOM 571 CG PRO A 388 11.702 -1.464 -12.732 1.00 0.00 C ATOM 572 CD PRO A 388 10.515 -1.641 -13.640 1.00 0.00 C ATOM 0 HA PRO A 388 9.646 -3.469 -11.092 1.00 0.00 H new ATOM 0 HB2 PRO A 388 12.008 -2.058 -10.698 1.00 0.00 H new ATOM 0 HB3 PRO A 388 11.934 -3.393 -11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 388 11.764 -0.438 -12.370 1.00 0.00 H new ATOM 0 HG3 PRO A 388 12.631 -1.672 -13.263 1.00 0.00 H new ATOM 0 HD2 PRO A 388 10.228 -0.703 -14.116 1.00 0.00 H new ATOM 0 HD3 PRO A 388 10.721 -2.354 -14.439 1.00 0.00 H new ATOM 580 N MET A 389 9.752 -1.896 -9.096 1.00 0.00 N ATOM 581 CA MET A 389 9.353 -1.016 -7.962 1.00 0.00 C ATOM 582 C MET A 389 10.043 0.344 -8.093 1.00 0.00 C ATOM 583 O MET A 389 9.402 1.361 -8.268 1.00 0.00 O ATOM 584 CB MET A 389 9.760 -1.672 -6.641 1.00 0.00 C ATOM 585 CG MET A 389 9.521 -0.695 -5.489 1.00 0.00 C ATOM 586 SD MET A 389 11.110 -0.058 -4.901 1.00 0.00 S ATOM 587 CE MET A 389 10.798 1.687 -5.260 1.00 0.00 C ATOM 0 H MET A 389 10.164 -2.788 -8.824 1.00 0.00 H new ATOM 0 HA MET A 389 8.273 -0.872 -7.980 1.00 0.00 H new ATOM 0 HB2 MET A 389 9.184 -2.584 -6.483 1.00 0.00 H new ATOM 0 HB3 MET A 389 10.811 -1.960 -6.675 1.00 0.00 H new ATOM 0 HG2 MET A 389 8.887 0.128 -5.821 1.00 0.00 H new ATOM 0 HG3 MET A 389 8.994 -1.196 -4.677 1.00 0.00 H new ATOM 0 HE1 MET A 389 11.747 2.216 -5.349 1.00 0.00 H new ATOM 0 HE2 MET A 389 10.246 1.773 -6.196 1.00 0.00 H new ATOM 0 HE3 MET A 389 10.213 2.126 -4.452 1.00 0.00 H new ATOM 597 N LYS A 390 11.344 0.375 -7.995 1.00 0.00 N ATOM 598 CA LYS A 390 12.074 1.672 -8.099 1.00 0.00 C ATOM 599 C LYS A 390 11.534 2.496 -9.272 1.00 0.00 C ATOM 600 O LYS A 390 11.118 3.625 -9.106 1.00 0.00 O ATOM 601 CB LYS A 390 13.565 1.403 -8.318 1.00 0.00 C ATOM 602 CG LYS A 390 14.141 0.673 -7.103 1.00 0.00 C ATOM 603 CD LYS A 390 15.655 0.526 -7.272 1.00 0.00 C ATOM 604 CE LYS A 390 16.221 -0.314 -6.126 1.00 0.00 C ATOM 605 NZ LYS A 390 17.102 0.536 -5.276 1.00 0.00 N ATOM 0 H LYS A 390 11.935 -0.443 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 390 11.928 2.231 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 390 13.708 0.803 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 390 14.095 2.343 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 390 13.917 1.227 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 390 13.678 -0.308 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 390 15.880 0.053 -8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 390 16.127 1.509 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 390 15.409 -0.727 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 390 16.785 -1.158 -6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 17.487 -0.034 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 17.884 0.909 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 16.550 1.327 -4.886 1.00 0.00 H new ATOM 619 N GLU A 391 11.542 1.950 -10.457 1.00 0.00 N ATOM 620 CA GLU A 391 11.040 2.716 -11.632 1.00 0.00 C ATOM 621 C GLU A 391 9.639 3.242 -11.333 1.00 0.00 C ATOM 622 O GLU A 391 9.299 4.363 -11.658 1.00 0.00 O ATOM 623 CB GLU A 391 10.991 1.800 -12.856 1.00 0.00 C ATOM 624 CG GLU A 391 12.412 1.564 -13.376 1.00 0.00 C ATOM 625 CD GLU A 391 12.348 0.861 -14.734 1.00 0.00 C ATOM 626 OE1 GLU A 391 11.261 0.762 -15.277 1.00 0.00 O ATOM 627 OE2 GLU A 391 13.389 0.433 -15.207 1.00 0.00 O ATOM 0 H GLU A 391 11.874 1.008 -10.662 1.00 0.00 H new ATOM 0 HA GLU A 391 11.708 3.553 -11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 391 10.526 0.850 -12.594 1.00 0.00 H new ATOM 0 HB3 GLU A 391 10.377 2.251 -13.636 1.00 0.00 H new ATOM 0 HG2 GLU A 391 12.939 2.514 -13.471 1.00 0.00 H new ATOM 0 HG3 GLU A 391 12.974 0.957 -12.666 1.00 0.00 H new ATOM 634 N LEU A 392 8.821 2.436 -10.720 1.00 0.00 N ATOM 635 CA LEU A 392 7.433 2.883 -10.402 1.00 0.00 C ATOM 636 C LEU A 392 7.460 3.851 -9.217 1.00 0.00 C ATOM 637 O LEU A 392 6.737 4.828 -9.185 1.00 0.00 O ATOM 638 CB LEU A 392 6.573 1.668 -10.048 1.00 0.00 C ATOM 639 CG LEU A 392 5.120 2.110 -9.853 1.00 0.00 C ATOM 640 CD1 LEU A 392 4.714 3.051 -10.989 1.00 0.00 C ATOM 641 CD2 LEU A 392 4.207 0.883 -9.858 1.00 0.00 C ATOM 0 H LEU A 392 9.050 1.487 -10.424 1.00 0.00 H new ATOM 0 HA LEU A 392 7.010 3.388 -11.271 1.00 0.00 H new ATOM 0 HB2 LEU A 392 6.634 0.922 -10.841 1.00 0.00 H new ATOM 0 HB3 LEU A 392 6.946 1.197 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 392 5.025 2.630 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 392 3.680 3.365 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 392 5.363 3.927 -10.985 1.00 0.00 H new ATOM 0 HD13 LEU A 392 4.810 2.532 -11.943 1.00 0.00 H new ATOM 0 HD21 LEU A 392 3.173 1.198 -9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 392 4.303 0.362 -10.811 1.00 0.00 H new ATOM 0 HD23 LEU A 392 4.494 0.213 -9.048 1.00 0.00 H new ATOM 653 N LEU A 393 8.285 3.590 -8.241 1.00 0.00 N ATOM 654 CA LEU A 393 8.354 4.496 -7.060 1.00 0.00 C ATOM 655 C LEU A 393 8.929 5.847 -7.484 1.00 0.00 C ATOM 656 O LEU A 393 8.703 6.858 -6.849 1.00 0.00 O ATOM 657 CB LEU A 393 9.255 3.876 -5.993 1.00 0.00 C ATOM 658 CG LEU A 393 9.339 4.817 -4.792 1.00 0.00 C ATOM 659 CD1 LEU A 393 9.088 4.022 -3.512 1.00 0.00 C ATOM 660 CD2 LEU A 393 10.730 5.451 -4.735 1.00 0.00 C ATOM 0 H LEU A 393 8.915 2.788 -8.210 1.00 0.00 H new ATOM 0 HA LEU A 393 7.352 4.637 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 393 8.859 2.908 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 393 10.250 3.698 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 393 8.589 5.602 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 393 9.147 4.689 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.097 3.570 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 393 9.841 3.239 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 393 10.789 6.122 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 393 11.483 4.669 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 393 10.911 6.015 -5.650 1.00 0.00 H new ATOM 672 N GLU A 394 9.673 5.871 -8.553 1.00 0.00 N ATOM 673 CA GLU A 394 10.263 7.156 -9.020 1.00 0.00 C ATOM 674 C GLU A 394 9.178 8.003 -9.684 1.00 0.00 C ATOM 675 O GLU A 394 9.289 9.209 -9.774 1.00 0.00 O ATOM 676 CB GLU A 394 11.377 6.873 -10.030 1.00 0.00 C ATOM 677 CG GLU A 394 12.566 6.230 -9.314 1.00 0.00 C ATOM 678 CD GLU A 394 13.773 6.211 -10.254 1.00 0.00 C ATOM 679 OE1 GLU A 394 13.602 6.558 -11.411 1.00 0.00 O ATOM 680 OE2 GLU A 394 14.847 5.850 -9.801 1.00 0.00 O ATOM 0 H GLU A 394 9.898 5.056 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 394 10.676 7.695 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 394 11.011 6.211 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 394 11.688 7.799 -10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 394 12.805 6.788 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 394 12.314 5.215 -9.006 1.00 0.00 H new ATOM 687 N ILE A 395 8.136 7.378 -10.162 1.00 0.00 N ATOM 688 CA ILE A 395 7.042 8.137 -10.834 1.00 0.00 C ATOM 689 C ILE A 395 6.858 9.504 -10.171 1.00 0.00 C ATOM 690 O ILE A 395 6.522 10.474 -10.820 1.00 0.00 O ATOM 691 CB ILE A 395 5.736 7.344 -10.735 1.00 0.00 C ATOM 692 CG1 ILE A 395 4.720 7.904 -11.733 1.00 0.00 C ATOM 693 CG2 ILE A 395 5.173 7.460 -9.318 1.00 0.00 C ATOM 694 CD1 ILE A 395 3.616 6.873 -11.972 1.00 0.00 C ATOM 0 H ILE A 395 7.995 6.369 -10.116 1.00 0.00 H new ATOM 0 HA ILE A 395 7.307 8.284 -11.881 1.00 0.00 H new ATOM 0 HB ILE A 395 5.932 6.296 -10.964 1.00 0.00 H new ATOM 0 HG12 ILE A 395 4.291 8.830 -11.350 1.00 0.00 H new ATOM 0 HG13 ILE A 395 5.215 8.147 -12.673 1.00 0.00 H new ATOM 0 HG21 ILE A 395 4.243 6.895 -9.248 1.00 0.00 H new ATOM 0 HG22 ILE A 395 5.895 7.060 -8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 395 4.979 8.508 -9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 395 2.893 7.273 -12.683 1.00 0.00 H new ATOM 0 HD12 ILE A 395 4.053 5.959 -12.374 1.00 0.00 H new ATOM 0 HD13 ILE A 395 3.115 6.652 -11.030 1.00 0.00 H new ATOM 706 N GLU A 396 7.072 9.595 -8.887 1.00 0.00 N ATOM 707 CA GLU A 396 6.902 10.909 -8.205 1.00 0.00 C ATOM 708 C GLU A 396 7.266 10.779 -6.724 1.00 0.00 C ATOM 709 O GLU A 396 8.408 10.937 -6.341 1.00 0.00 O ATOM 710 CB GLU A 396 5.447 11.367 -8.333 1.00 0.00 C ATOM 711 CG GLU A 396 5.255 12.672 -7.558 1.00 0.00 C ATOM 712 CD GLU A 396 3.776 13.062 -7.568 1.00 0.00 C ATOM 713 OE1 GLU A 396 2.978 12.272 -8.046 1.00 0.00 O ATOM 714 OE2 GLU A 396 3.466 14.144 -7.098 1.00 0.00 O ATOM 0 H GLU A 396 7.355 8.822 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 396 7.559 11.642 -8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 396 5.191 11.513 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.777 10.599 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 396 5.603 12.552 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 396 5.854 13.465 -8.007 1.00 0.00 H new ATOM 721 N GLY A 397 6.305 10.499 -5.885 1.00 0.00 N ATOM 722 CA GLY A 397 6.603 10.371 -4.431 1.00 0.00 C ATOM 723 C GLY A 397 5.853 9.171 -3.854 1.00 0.00 C ATOM 724 O GLY A 397 5.232 9.255 -2.813 1.00 0.00 O ATOM 0 H GLY A 397 5.329 10.354 -6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 397 7.675 10.249 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 397 6.309 11.281 -3.908 1.00 0.00 H new ATOM 728 N LEU A 398 5.910 8.055 -4.520 1.00 0.00 N ATOM 729 CA LEU A 398 5.204 6.847 -4.006 1.00 0.00 C ATOM 730 C LEU A 398 6.034 6.214 -2.887 1.00 0.00 C ATOM 731 O LEU A 398 7.226 6.428 -2.788 1.00 0.00 O ATOM 732 CB LEU A 398 5.020 5.835 -5.137 1.00 0.00 C ATOM 733 CG LEU A 398 4.388 6.526 -6.346 1.00 0.00 C ATOM 734 CD1 LEU A 398 4.172 5.502 -7.462 1.00 0.00 C ATOM 735 CD2 LEU A 398 3.043 7.133 -5.943 1.00 0.00 C ATOM 0 H LEU A 398 6.414 7.924 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 398 4.226 7.136 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 398 5.982 5.405 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 398 4.387 5.013 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 398 5.050 7.316 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 398 3.721 5.993 -8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 398 5.130 5.070 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 398 3.510 4.712 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 398 2.593 7.625 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 398 2.379 6.344 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 398 3.197 7.863 -5.148 1.00 0.00 H new ATOM 747 N ASP A 399 5.413 5.440 -2.040 1.00 0.00 N ATOM 748 CA ASP A 399 6.166 4.798 -0.925 1.00 0.00 C ATOM 749 C ASP A 399 6.783 3.484 -1.406 1.00 0.00 C ATOM 750 O ASP A 399 6.356 2.905 -2.385 1.00 0.00 O ATOM 751 CB ASP A 399 5.216 4.519 0.241 1.00 0.00 C ATOM 752 CG ASP A 399 4.310 5.732 0.461 1.00 0.00 C ATOM 753 OD1 ASP A 399 4.738 6.831 0.150 1.00 0.00 O ATOM 754 OD2 ASP A 399 3.203 5.541 0.938 1.00 0.00 O ATOM 0 H ASP A 399 4.417 5.224 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 399 6.959 5.469 -0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 399 4.614 3.635 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 399 5.786 4.308 1.146 1.00 0.00 H new ATOM 759 N GLU A 400 7.789 3.012 -0.723 1.00 0.00 N ATOM 760 CA GLU A 400 8.445 1.738 -1.134 1.00 0.00 C ATOM 761 C GLU A 400 7.422 0.598 -1.137 1.00 0.00 C ATOM 762 O GLU A 400 7.310 -0.136 -2.098 1.00 0.00 O ATOM 763 CB GLU A 400 9.574 1.409 -0.155 1.00 0.00 C ATOM 764 CG GLU A 400 10.483 0.341 -0.765 1.00 0.00 C ATOM 765 CD GLU A 400 11.812 0.978 -1.176 1.00 0.00 C ATOM 766 OE1 GLU A 400 11.877 2.196 -1.211 1.00 0.00 O ATOM 767 OE2 GLU A 400 12.742 0.237 -1.449 1.00 0.00 O ATOM 0 H GLU A 400 8.187 3.455 0.105 1.00 0.00 H new ATOM 0 HA GLU A 400 8.852 1.853 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 400 10.150 2.307 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 400 9.160 1.053 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 400 10.658 -0.458 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 400 10.000 -0.111 -1.632 1.00 0.00 H new ATOM 774 N PRO A 401 6.665 0.441 -0.038 1.00 0.00 N ATOM 775 CA PRO A 401 5.657 -0.621 0.076 1.00 0.00 C ATOM 776 C PRO A 401 4.462 -0.372 -0.848 1.00 0.00 C ATOM 777 O PRO A 401 4.019 -1.254 -1.556 1.00 0.00 O ATOM 778 CB PRO A 401 5.218 -0.545 1.537 1.00 0.00 C ATOM 779 CG PRO A 401 5.508 0.860 1.945 1.00 0.00 C ATOM 780 CD PRO A 401 6.727 1.281 1.173 1.00 0.00 C ATOM 0 HA PRO A 401 6.054 -1.595 -0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 401 4.159 -0.779 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 401 5.766 -1.258 2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 401 4.663 1.512 1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 401 5.686 0.924 3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 401 6.702 2.343 0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 401 7.642 1.106 1.738 1.00 0.00 H new ATOM 788 N THR A 402 3.940 0.823 -0.851 1.00 0.00 N ATOM 789 CA THR A 402 2.778 1.123 -1.734 1.00 0.00 C ATOM 790 C THR A 402 3.132 0.749 -3.173 1.00 0.00 C ATOM 791 O THR A 402 2.351 0.142 -3.879 1.00 0.00 O ATOM 792 CB THR A 402 2.453 2.617 -1.659 1.00 0.00 C ATOM 793 OG1 THR A 402 2.262 2.991 -0.302 1.00 0.00 O ATOM 794 CG2 THR A 402 1.179 2.903 -2.455 1.00 0.00 C ATOM 0 H THR A 402 4.267 1.604 -0.281 1.00 0.00 H new ATOM 0 HA THR A 402 1.911 0.548 -1.409 1.00 0.00 H new ATOM 0 HB THR A 402 3.278 3.191 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 402 2.040 3.944 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 402 0.948 3.967 -2.402 1.00 0.00 H new ATOM 0 HG22 THR A 402 1.328 2.616 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 402 0.352 2.330 -2.036 1.00 0.00 H new ATOM 802 N VAL A 403 4.309 1.103 -3.612 1.00 0.00 N ATOM 803 CA VAL A 403 4.720 0.765 -5.004 1.00 0.00 C ATOM 804 C VAL A 403 5.036 -0.726 -5.084 1.00 0.00 C ATOM 805 O VAL A 403 4.771 -1.378 -6.074 1.00 0.00 O ATOM 806 CB VAL A 403 5.968 1.567 -5.377 1.00 0.00 C ATOM 807 CG1 VAL A 403 6.147 1.554 -6.897 1.00 0.00 C ATOM 808 CG2 VAL A 403 5.814 3.009 -4.894 1.00 0.00 C ATOM 0 H VAL A 403 5.004 1.612 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 403 3.912 1.009 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 403 6.841 1.118 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 403 7.036 2.125 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 403 6.260 0.526 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 403 5.273 2.001 -7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 403 6.704 3.579 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 403 4.940 3.459 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 403 5.688 3.019 -3.811 1.00 0.00 H new ATOM 818 N GLU A 404 5.602 -1.269 -4.044 1.00 0.00 N ATOM 819 CA GLU A 404 5.940 -2.719 -4.048 1.00 0.00 C ATOM 820 C GLU A 404 4.652 -3.545 -4.078 1.00 0.00 C ATOM 821 O GLU A 404 4.546 -4.523 -4.791 1.00 0.00 O ATOM 822 CB GLU A 404 6.734 -3.059 -2.786 1.00 0.00 C ATOM 823 CG GLU A 404 7.221 -4.507 -2.863 1.00 0.00 C ATOM 824 CD GLU A 404 7.891 -4.891 -1.542 1.00 0.00 C ATOM 825 OE1 GLU A 404 7.943 -4.049 -0.661 1.00 0.00 O ATOM 826 OE2 GLU A 404 8.340 -6.020 -1.435 1.00 0.00 O ATOM 0 H GLU A 404 5.846 -0.770 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 404 6.539 -2.950 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 404 7.584 -2.384 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 404 6.110 -2.921 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 404 6.383 -5.174 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 404 7.925 -4.622 -3.687 1.00 0.00 H new ATOM 833 N ALA A 405 3.671 -3.159 -3.308 1.00 0.00 N ATOM 834 CA ALA A 405 2.391 -3.923 -3.291 1.00 0.00 C ATOM 835 C ALA A 405 1.596 -3.616 -4.560 1.00 0.00 C ATOM 836 O ALA A 405 0.921 -4.468 -5.103 1.00 0.00 O ATOM 837 CB ALA A 405 1.571 -3.516 -2.065 1.00 0.00 C ATOM 0 H ALA A 405 3.701 -2.348 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 405 2.606 -4.991 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 405 0.635 -4.074 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 405 2.137 -3.735 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 405 1.356 -2.448 -2.109 1.00 0.00 H new ATOM 843 N LEU A 406 1.671 -2.405 -5.037 1.00 0.00 N ATOM 844 CA LEU A 406 0.919 -2.043 -6.270 1.00 0.00 C ATOM 845 C LEU A 406 1.381 -2.931 -7.427 1.00 0.00 C ATOM 846 O LEU A 406 0.582 -3.448 -8.182 1.00 0.00 O ATOM 847 CB LEU A 406 1.182 -0.576 -6.614 1.00 0.00 C ATOM 848 CG LEU A 406 0.321 -0.172 -7.813 1.00 0.00 C ATOM 849 CD1 LEU A 406 -1.122 0.049 -7.353 1.00 0.00 C ATOM 850 CD2 LEU A 406 0.867 1.122 -8.419 1.00 0.00 C ATOM 0 H LEU A 406 2.221 -1.650 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 406 -0.148 -2.191 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 406 0.951 0.057 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 406 2.237 -0.429 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 406 0.346 -0.963 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -1.736 0.337 -8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -1.511 -0.873 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -1.148 0.841 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 406 0.254 1.411 -9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 406 0.841 1.914 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 406 1.895 0.965 -8.746 1.00 0.00 H new ATOM 862 N ARG A 407 2.664 -3.117 -7.569 1.00 0.00 N ATOM 863 CA ARG A 407 3.173 -3.976 -8.674 1.00 0.00 C ATOM 864 C ARG A 407 2.716 -5.416 -8.444 1.00 0.00 C ATOM 865 O ARG A 407 2.154 -6.047 -9.317 1.00 0.00 O ATOM 866 CB ARG A 407 4.700 -3.923 -8.696 1.00 0.00 C ATOM 867 CG ARG A 407 5.154 -2.488 -8.963 1.00 0.00 C ATOM 868 CD ARG A 407 6.675 -2.459 -9.119 1.00 0.00 C ATOM 869 NE ARG A 407 7.315 -2.886 -7.843 1.00 0.00 N ATOM 870 CZ ARG A 407 7.935 -4.032 -7.776 1.00 0.00 C ATOM 871 NH1 ARG A 407 8.651 -4.446 -8.786 1.00 0.00 N ATOM 872 NH2 ARG A 407 7.839 -4.764 -6.700 1.00 0.00 N ATOM 0 H ARG A 407 3.381 -2.712 -6.968 1.00 0.00 H new ATOM 0 HA ARG A 407 2.784 -3.617 -9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 407 5.101 -4.272 -7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 407 5.087 -4.588 -9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 407 4.677 -2.106 -9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 407 4.849 -1.839 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 407 6.980 -3.120 -9.930 1.00 0.00 H new ATOM 0 HD3 ARG A 407 7.005 -1.455 -9.385 1.00 0.00 H new ATOM 0 HE ARG A 407 7.268 -2.282 -7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 407 8.726 -3.874 -9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 407 9.136 -5.342 -8.734 1.00 0.00 H new ATOM 0 HH21 ARG A 407 7.279 -4.440 -5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 407 8.324 -5.660 -6.648 1.00 0.00 H new ATOM 886 N GLU A 408 2.949 -5.940 -7.272 1.00 0.00 N ATOM 887 CA GLU A 408 2.523 -7.339 -6.987 1.00 0.00 C ATOM 888 C GLU A 408 1.096 -7.541 -7.500 1.00 0.00 C ATOM 889 O GLU A 408 0.794 -8.518 -8.157 1.00 0.00 O ATOM 890 CB GLU A 408 2.562 -7.594 -5.479 1.00 0.00 C ATOM 891 CG GLU A 408 2.314 -9.080 -5.210 1.00 0.00 C ATOM 892 CD GLU A 408 2.330 -9.337 -3.702 1.00 0.00 C ATOM 893 OE1 GLU A 408 2.516 -8.387 -2.961 1.00 0.00 O ATOM 894 OE2 GLU A 408 2.156 -10.481 -3.315 1.00 0.00 O ATOM 0 H GLU A 408 3.415 -5.461 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 408 3.198 -8.035 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 408 3.529 -7.296 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 408 1.806 -6.991 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 408 1.354 -9.381 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 408 3.080 -9.682 -5.700 1.00 0.00 H new ATOM 901 N ARG A 409 0.217 -6.622 -7.207 1.00 0.00 N ATOM 902 CA ARG A 409 -1.190 -6.758 -7.679 1.00 0.00 C ATOM 903 C ARG A 409 -1.215 -6.757 -9.208 1.00 0.00 C ATOM 904 O ARG A 409 -1.888 -7.554 -9.828 1.00 0.00 O ATOM 905 CB ARG A 409 -2.019 -5.581 -7.162 1.00 0.00 C ATOM 906 CG ARG A 409 -2.042 -5.600 -5.633 1.00 0.00 C ATOM 907 CD ARG A 409 -2.952 -4.479 -5.128 1.00 0.00 C ATOM 908 NE ARG A 409 -2.782 -4.325 -3.657 1.00 0.00 N ATOM 909 CZ ARG A 409 -3.724 -4.722 -2.846 1.00 0.00 C ATOM 910 NH1 ARG A 409 -4.484 -5.731 -3.173 1.00 0.00 N ATOM 911 NH2 ARG A 409 -3.906 -4.109 -1.708 1.00 0.00 N ATOM 0 H ARG A 409 0.412 -5.783 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 409 -1.608 -7.692 -7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 409 -1.596 -4.642 -7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 409 -3.035 -5.640 -7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 409 -2.401 -6.565 -5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 409 -1.033 -5.470 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 409 -2.709 -3.544 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 409 -3.992 -4.707 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 409 -1.929 -3.909 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 409 -4.342 -6.209 -4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 409 -5.220 -6.041 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 409 -3.312 -3.320 -1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 409 -4.642 -4.419 -1.074 1.00 0.00 H new ATOM 925 N ALA A 410 -0.488 -5.863 -9.819 1.00 0.00 N ATOM 926 CA ALA A 410 -0.470 -5.806 -11.307 1.00 0.00 C ATOM 927 C ALA A 410 -0.272 -7.215 -11.874 1.00 0.00 C ATOM 928 O ALA A 410 -1.083 -7.708 -12.633 1.00 0.00 O ATOM 929 CB ALA A 410 0.676 -4.901 -11.765 1.00 0.00 C ATOM 0 H ALA A 410 0.095 -5.169 -9.351 1.00 0.00 H new ATOM 0 HA ALA A 410 -1.417 -5.405 -11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 410 0.692 -4.857 -12.854 1.00 0.00 H new ATOM 0 HB2 ALA A 410 0.530 -3.898 -11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 410 1.623 -5.302 -11.404 1.00 0.00 H new ATOM 935 N LYS A 411 0.800 -7.867 -11.514 1.00 0.00 N ATOM 936 CA LYS A 411 1.045 -9.241 -12.036 1.00 0.00 C ATOM 937 C LYS A 411 -0.087 -10.163 -11.584 1.00 0.00 C ATOM 938 O LYS A 411 -0.695 -10.852 -12.379 1.00 0.00 O ATOM 939 CB LYS A 411 2.377 -9.765 -11.493 1.00 0.00 C ATOM 940 CG LYS A 411 3.533 -9.093 -12.239 1.00 0.00 C ATOM 941 CD LYS A 411 3.468 -9.462 -13.723 1.00 0.00 C ATOM 942 CE LYS A 411 4.734 -8.966 -14.426 1.00 0.00 C ATOM 943 NZ LYS A 411 5.933 -9.384 -13.646 1.00 0.00 N ATOM 0 H LYS A 411 1.516 -7.508 -10.882 1.00 0.00 H new ATOM 0 HA LYS A 411 1.083 -9.215 -13.125 1.00 0.00 H new ATOM 0 HB2 LYS A 411 2.452 -9.561 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 411 2.431 -10.847 -11.615 1.00 0.00 H new ATOM 0 HG2 LYS A 411 3.476 -8.011 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 411 4.486 -9.411 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 411 3.375 -10.542 -13.837 1.00 0.00 H new ATOM 0 HD3 LYS A 411 2.586 -9.016 -14.182 1.00 0.00 H new ATOM 0 HE2 LYS A 411 4.785 -9.372 -15.436 1.00 0.00 H new ATOM 0 HE3 LYS A 411 4.709 -7.880 -14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 6.753 -9.457 -14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 6.129 -8.679 -12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 5.755 -10.308 -13.204 1.00 0.00 H new ATOM 957 N ASN A 412 -0.377 -10.179 -10.312 1.00 0.00 N ATOM 958 CA ASN A 412 -1.472 -11.053 -9.810 1.00 0.00 C ATOM 959 C ASN A 412 -2.750 -10.760 -10.596 1.00 0.00 C ATOM 960 O ASN A 412 -3.459 -11.658 -11.008 1.00 0.00 O ATOM 961 CB ASN A 412 -1.706 -10.773 -8.324 1.00 0.00 C ATOM 962 CG ASN A 412 -0.469 -11.193 -7.527 1.00 0.00 C ATOM 963 OD1 ASN A 412 0.373 -11.914 -8.025 1.00 0.00 O ATOM 964 ND2 ASN A 412 -0.322 -10.769 -6.301 1.00 0.00 N ATOM 0 H ASN A 412 0.097 -9.624 -9.599 1.00 0.00 H new ATOM 0 HA ASN A 412 -1.197 -12.100 -9.940 1.00 0.00 H new ATOM 0 HB2 ASN A 412 -1.909 -9.713 -8.170 1.00 0.00 H new ATOM 0 HB3 ASN A 412 -2.581 -11.320 -7.973 1.00 0.00 H new ATOM 0 HD21 ASN A 412 0.499 -11.043 -5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 412 -1.028 -10.164 -5.883 1.00 0.00 H new ATOM 971 N ALA A 413 -3.046 -9.509 -10.816 1.00 0.00 N ATOM 972 CA ALA A 413 -4.272 -9.160 -11.583 1.00 0.00 C ATOM 973 C ALA A 413 -4.107 -9.632 -13.027 1.00 0.00 C ATOM 974 O ALA A 413 -5.003 -10.213 -13.607 1.00 0.00 O ATOM 975 CB ALA A 413 -4.475 -7.644 -11.560 1.00 0.00 C ATOM 0 H ALA A 413 -2.491 -8.714 -10.498 1.00 0.00 H new ATOM 0 HA ALA A 413 -5.139 -9.645 -11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 413 -5.373 -7.389 -12.122 1.00 0.00 H new ATOM 0 HB2 ALA A 413 -4.584 -7.307 -10.529 1.00 0.00 H new ATOM 0 HB3 ALA A 413 -3.613 -7.155 -12.012 1.00 0.00 H new ATOM 981 N LEU A 414 -2.964 -9.394 -13.611 1.00 0.00 N ATOM 982 CA LEU A 414 -2.740 -9.838 -15.014 1.00 0.00 C ATOM 983 C LEU A 414 -2.935 -11.353 -15.092 1.00 0.00 C ATOM 984 O LEU A 414 -3.456 -11.873 -16.058 1.00 0.00 O ATOM 985 CB LEU A 414 -1.315 -9.478 -15.444 1.00 0.00 C ATOM 986 CG LEU A 414 -1.145 -9.735 -16.945 1.00 0.00 C ATOM 987 CD1 LEU A 414 -2.385 -9.249 -17.698 1.00 0.00 C ATOM 988 CD2 LEU A 414 0.083 -8.977 -17.452 1.00 0.00 C ATOM 0 H LEU A 414 -2.177 -8.912 -13.177 1.00 0.00 H new ATOM 0 HA LEU A 414 -3.449 -9.342 -15.677 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -1.111 -8.431 -15.220 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.595 -10.071 -14.880 1.00 0.00 H new ATOM 0 HG LEU A 414 -1.016 -10.804 -17.115 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.259 -9.434 -18.765 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -3.263 -9.786 -17.338 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.518 -8.181 -17.528 1.00 0.00 H new ATOM 0 HD21 LEU A 414 0.207 -9.158 -18.520 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -0.051 -7.909 -17.278 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.969 -9.323 -16.920 1.00 0.00 H new ATOM 1000 N ALA A 415 -2.527 -12.064 -14.075 1.00 0.00 N ATOM 1001 CA ALA A 415 -2.699 -13.543 -14.088 1.00 0.00 C ATOM 1002 C ALA A 415 -4.167 -13.870 -14.360 1.00 0.00 C ATOM 1003 O ALA A 415 -4.488 -14.695 -15.192 1.00 0.00 O ATOM 1004 CB ALA A 415 -2.290 -14.120 -12.730 1.00 0.00 C ATOM 0 H ALA A 415 -2.083 -11.685 -13.239 1.00 0.00 H new ATOM 0 HA ALA A 415 -2.073 -13.979 -14.866 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -2.417 -15.203 -12.742 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -1.246 -13.879 -12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -2.916 -13.690 -11.948 1.00 0.00 H new ATOM 1010 N THR A 416 -5.064 -13.221 -13.668 1.00 0.00 N ATOM 1011 CA THR A 416 -6.512 -13.485 -13.890 1.00 0.00 C ATOM 1012 C THR A 416 -6.904 -12.991 -15.283 1.00 0.00 C ATOM 1013 O THR A 416 -7.505 -13.706 -16.059 1.00 0.00 O ATOM 1014 CB THR A 416 -7.336 -12.743 -12.836 1.00 0.00 C ATOM 1015 OG1 THR A 416 -6.818 -13.028 -11.544 1.00 0.00 O ATOM 1016 CG2 THR A 416 -8.795 -13.196 -12.916 1.00 0.00 C ATOM 0 H THR A 416 -4.855 -12.519 -12.958 1.00 0.00 H new ATOM 0 HA THR A 416 -6.705 -14.555 -13.811 1.00 0.00 H new ATOM 0 HB THR A 416 -7.281 -11.670 -13.020 1.00 0.00 H new ATOM 0 HG1 THR A 416 -7.344 -12.552 -10.868 1.00 0.00 H new ATOM 0 HG21 THR A 416 -9.382 -12.667 -12.165 1.00 0.00 H new ATOM 0 HG22 THR A 416 -9.191 -12.975 -13.907 1.00 0.00 H new ATOM 0 HG23 THR A 416 -8.853 -14.269 -12.733 1.00 0.00 H new