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 93:sc= 1.17 USER MOD Single : A 360 THR OG1 : rot -18:sc= -1.57 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 -68:sc= 0.136 USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 MET CE :methyl -126:sc= -8! (180deg=-12.7!) USER MOD Single : A 390 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.218) 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= -0.451 K(o=-0.45,f=-1.7!) USER MOD Single : A 416 THR OG1 : rot 87:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 354 -11.621 4.099 -17.823 1.00 0.00 N ATOM 44 CA ALA A 354 -11.657 2.637 -17.532 1.00 0.00 C ATOM 45 C ALA A 354 -10.324 2.202 -16.920 1.00 0.00 C ATOM 46 O ALA A 354 -10.265 1.278 -16.133 1.00 0.00 O ATOM 47 CB ALA A 354 -11.900 1.865 -18.830 1.00 0.00 C ATOM 0 HA ALA A 354 -12.462 2.428 -16.828 1.00 0.00 H new ATOM 0 HB1 ALA A 354 -11.926 0.796 -18.618 1.00 0.00 H new ATOM 0 HB2 ALA A 354 -12.852 2.173 -19.264 1.00 0.00 H new ATOM 0 HB3 ALA A 354 -11.095 2.075 -19.535 1.00 0.00 H new ATOM 53 N ALA A 355 -9.253 2.858 -17.275 1.00 0.00 N ATOM 54 CA ALA A 355 -7.927 2.480 -16.711 1.00 0.00 C ATOM 55 C ALA A 355 -7.910 2.770 -15.210 1.00 0.00 C ATOM 56 O ALA A 355 -7.231 2.112 -14.446 1.00 0.00 O ATOM 57 CB ALA A 355 -6.829 3.286 -17.405 1.00 0.00 C ATOM 0 H ALA A 355 -9.239 3.639 -17.931 1.00 0.00 H new ATOM 0 HA ALA A 355 -7.751 1.417 -16.874 1.00 0.00 H new ATOM 0 HB1 ALA A 355 -5.859 3.010 -16.992 1.00 0.00 H new ATOM 0 HB2 ALA A 355 -6.842 3.074 -18.474 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -7.002 4.350 -17.244 1.00 0.00 H new ATOM 63 N ILE A 356 -8.657 3.749 -14.779 1.00 0.00 N ATOM 64 CA ILE A 356 -8.687 4.078 -13.328 1.00 0.00 C ATOM 65 C ILE A 356 -9.532 3.038 -12.596 1.00 0.00 C ATOM 66 O ILE A 356 -9.182 2.576 -11.528 1.00 0.00 O ATOM 67 CB ILE A 356 -9.299 5.465 -13.135 1.00 0.00 C ATOM 68 CG1 ILE A 356 -8.426 6.507 -13.837 1.00 0.00 C ATOM 69 CG2 ILE A 356 -9.377 5.787 -11.641 1.00 0.00 C ATOM 70 CD1 ILE A 356 -8.953 7.907 -13.523 1.00 0.00 C ATOM 0 H ILE A 356 -9.247 4.335 -15.370 1.00 0.00 H new ATOM 0 HA ILE A 356 -7.673 4.072 -12.927 1.00 0.00 H new ATOM 0 HB ILE A 356 -10.302 5.483 -13.561 1.00 0.00 H new ATOM 0 HG12 ILE A 356 -7.392 6.413 -13.506 1.00 0.00 H new ATOM 0 HG13 ILE A 356 -8.433 6.337 -14.914 1.00 0.00 H new ATOM 0 HG21 ILE A 356 -9.814 6.776 -11.504 1.00 0.00 H new ATOM 0 HG22 ILE A 356 -9.998 5.044 -11.141 1.00 0.00 H new ATOM 0 HG23 ILE A 356 -8.375 5.770 -11.212 1.00 0.00 H new ATOM 0 HD11 ILE A 356 -8.332 8.650 -14.023 1.00 0.00 H new ATOM 0 HD12 ILE A 356 -9.980 7.997 -13.876 1.00 0.00 H new ATOM 0 HD13 ILE A 356 -8.923 8.074 -12.446 1.00 0.00 H new ATOM 82 N ASP A 357 -10.641 2.662 -13.167 1.00 0.00 N ATOM 83 CA ASP A 357 -11.510 1.645 -12.514 1.00 0.00 C ATOM 84 C ASP A 357 -10.806 0.289 -12.545 1.00 0.00 C ATOM 85 O ASP A 357 -10.867 -0.473 -11.601 1.00 0.00 O ATOM 86 CB ASP A 357 -12.840 1.552 -13.263 1.00 0.00 C ATOM 87 CG ASP A 357 -13.808 0.667 -12.475 1.00 0.00 C ATOM 88 OD1 ASP A 357 -13.452 0.260 -11.382 1.00 0.00 O ATOM 89 OD2 ASP A 357 -14.890 0.413 -12.978 1.00 0.00 O ATOM 0 H ASP A 357 -10.984 3.016 -14.060 1.00 0.00 H new ATOM 0 HA ASP A 357 -11.700 1.934 -11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 357 -13.265 2.547 -13.395 1.00 0.00 H new ATOM 0 HB3 ASP A 357 -12.681 1.138 -14.259 1.00 0.00 H new ATOM 94 N THR A 358 -10.130 -0.018 -13.619 1.00 0.00 N ATOM 95 CA THR A 358 -9.419 -1.323 -13.693 1.00 0.00 C ATOM 96 C THR A 358 -8.468 -1.430 -12.503 1.00 0.00 C ATOM 97 O THR A 358 -8.490 -2.389 -11.758 1.00 0.00 O ATOM 98 CB THR A 358 -8.625 -1.404 -14.999 1.00 0.00 C ATOM 99 OG1 THR A 358 -9.488 -1.138 -16.095 1.00 0.00 O ATOM 100 CG2 THR A 358 -8.026 -2.803 -15.146 1.00 0.00 C ATOM 0 H THR A 358 -10.040 0.576 -14.443 1.00 0.00 H new ATOM 0 HA THR A 358 -10.139 -2.141 -13.667 1.00 0.00 H new ATOM 0 HB THR A 358 -7.822 -0.667 -14.983 1.00 0.00 H new ATOM 0 HG1 THR A 358 -9.450 -0.184 -16.317 1.00 0.00 H new ATOM 0 HG21 THR A 358 -7.461 -2.861 -16.076 1.00 0.00 H new ATOM 0 HG22 THR A 358 -7.363 -3.005 -14.305 1.00 0.00 H new ATOM 0 HG23 THR A 358 -8.827 -3.542 -15.162 1.00 0.00 H new ATOM 108 N PHE A 359 -7.643 -0.441 -12.310 1.00 0.00 N ATOM 109 CA PHE A 359 -6.702 -0.470 -11.159 1.00 0.00 C ATOM 110 C PHE A 359 -7.514 -0.574 -9.869 1.00 0.00 C ATOM 111 O PHE A 359 -7.179 -1.319 -8.968 1.00 0.00 O ATOM 112 CB PHE A 359 -5.868 0.813 -11.147 1.00 0.00 C ATOM 113 CG PHE A 359 -5.052 0.898 -12.418 1.00 0.00 C ATOM 114 CD1 PHE A 359 -4.797 -0.260 -13.165 1.00 0.00 C ATOM 115 CD2 PHE A 359 -4.546 2.132 -12.847 1.00 0.00 C ATOM 116 CE1 PHE A 359 -4.041 -0.182 -14.339 1.00 0.00 C ATOM 117 CE2 PHE A 359 -3.790 2.208 -14.022 1.00 0.00 C ATOM 118 CZ PHE A 359 -3.537 1.049 -14.768 1.00 0.00 C ATOM 0 H PHE A 359 -7.580 0.388 -12.901 1.00 0.00 H new ATOM 0 HA PHE A 359 -6.031 -1.325 -11.244 1.00 0.00 H new ATOM 0 HB2 PHE A 359 -6.520 1.682 -11.062 1.00 0.00 H new ATOM 0 HB3 PHE A 359 -5.210 0.823 -10.278 1.00 0.00 H new ATOM 0 HD1 PHE A 359 -5.184 -1.212 -12.834 1.00 0.00 H new ATOM 0 HD2 PHE A 359 -4.739 3.025 -12.271 1.00 0.00 H new ATOM 0 HE1 PHE A 359 -3.846 -1.075 -14.915 1.00 0.00 H new ATOM 0 HE2 PHE A 359 -3.402 3.160 -14.354 1.00 0.00 H new ATOM 0 HZ PHE A 359 -2.953 1.107 -15.674 1.00 0.00 H new ATOM 128 N THR A 360 -8.593 0.156 -9.779 1.00 0.00 N ATOM 129 CA THR A 360 -9.438 0.086 -8.557 1.00 0.00 C ATOM 130 C THR A 360 -10.022 -1.322 -8.445 1.00 0.00 C ATOM 131 O THR A 360 -10.266 -1.823 -7.365 1.00 0.00 O ATOM 132 CB THR A 360 -10.577 1.102 -8.660 1.00 0.00 C ATOM 133 OG1 THR A 360 -11.472 0.706 -9.692 1.00 0.00 O ATOM 134 CG2 THR A 360 -10.004 2.483 -8.979 1.00 0.00 C ATOM 0 H THR A 360 -8.924 0.797 -10.500 1.00 0.00 H new ATOM 0 HA THR A 360 -8.836 0.312 -7.677 1.00 0.00 H new ATOM 0 HB THR A 360 -11.113 1.145 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 360 -11.025 0.066 -10.285 1.00 0.00 H new ATOM 0 HG21 THR A 360 -10.816 3.206 -9.052 1.00 0.00 H new ATOM 0 HG22 THR A 360 -9.320 2.785 -8.186 1.00 0.00 H new ATOM 0 HG23 THR A 360 -9.467 2.444 -9.927 1.00 0.00 H new ATOM 142 N LYS A 361 -10.240 -1.965 -9.559 1.00 0.00 N ATOM 143 CA LYS A 361 -10.800 -3.344 -9.528 1.00 0.00 C ATOM 144 C LYS A 361 -9.677 -4.336 -9.226 1.00 0.00 C ATOM 145 O LYS A 361 -9.868 -5.318 -8.536 1.00 0.00 O ATOM 146 CB LYS A 361 -11.414 -3.678 -10.890 1.00 0.00 C ATOM 147 CG LYS A 361 -11.780 -5.163 -10.929 1.00 0.00 C ATOM 148 CD LYS A 361 -12.171 -5.557 -12.355 1.00 0.00 C ATOM 149 CE LYS A 361 -12.891 -6.908 -12.327 1.00 0.00 C ATOM 150 NZ LYS A 361 -14.263 -6.751 -12.887 1.00 0.00 N ATOM 0 H LYS A 361 -10.054 -1.594 -10.491 1.00 0.00 H new ATOM 0 HA LYS A 361 -11.568 -3.408 -8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 361 -12.301 -3.068 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 361 -10.708 -3.445 -11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 361 -10.936 -5.765 -10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 361 -12.606 -5.363 -10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 361 -12.818 -4.796 -12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 361 -11.283 -5.618 -12.984 1.00 0.00 H new ATOM 0 HE2 LYS A 361 -12.332 -7.642 -12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 361 -12.944 -7.283 -11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 361 -14.753 -7.668 -12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 361 -14.794 -6.063 -12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 361 -14.201 -6.412 -13.868 1.00 0.00 H new ATOM 164 N TYR A 362 -8.505 -4.087 -9.745 1.00 0.00 N ATOM 165 CA TYR A 362 -7.366 -5.014 -9.501 1.00 0.00 C ATOM 166 C TYR A 362 -6.432 -4.426 -8.439 1.00 0.00 C ATOM 167 O TYR A 362 -6.311 -4.950 -7.349 1.00 0.00 O ATOM 168 CB TYR A 362 -6.594 -5.211 -10.806 1.00 0.00 C ATOM 169 CG TYR A 362 -7.455 -5.979 -11.781 1.00 0.00 C ATOM 170 CD1 TYR A 362 -7.441 -7.379 -11.779 1.00 0.00 C ATOM 171 CD2 TYR A 362 -8.269 -5.289 -12.687 1.00 0.00 C ATOM 172 CE1 TYR A 362 -8.241 -8.087 -12.683 1.00 0.00 C ATOM 173 CE2 TYR A 362 -9.070 -5.997 -13.590 1.00 0.00 C ATOM 174 CZ TYR A 362 -9.056 -7.397 -13.589 1.00 0.00 C ATOM 175 OH TYR A 362 -9.844 -8.096 -14.480 1.00 0.00 O ATOM 0 H TYR A 362 -8.288 -3.279 -10.329 1.00 0.00 H new ATOM 0 HA TYR A 362 -7.748 -5.972 -9.147 1.00 0.00 H new ATOM 0 HB2 TYR A 362 -6.318 -4.245 -11.229 1.00 0.00 H new ATOM 0 HB3 TYR A 362 -5.667 -5.752 -10.616 1.00 0.00 H new ATOM 0 HD1 TYR A 362 -6.813 -7.912 -11.080 1.00 0.00 H new ATOM 0 HD2 TYR A 362 -8.279 -4.209 -12.689 1.00 0.00 H new ATOM 0 HE1 TYR A 362 -8.230 -9.167 -12.682 1.00 0.00 H new ATOM 0 HE2 TYR A 362 -9.699 -5.464 -14.287 1.00 0.00 H new ATOM 0 HH TYR A 362 -10.348 -7.465 -15.036 1.00 0.00 H new ATOM 185 N LEU A 363 -5.766 -3.348 -8.748 1.00 0.00 N ATOM 186 CA LEU A 363 -4.837 -2.736 -7.756 1.00 0.00 C ATOM 187 C LEU A 363 -5.576 -2.491 -6.438 1.00 0.00 C ATOM 188 O LEU A 363 -4.968 -2.302 -5.404 1.00 0.00 O ATOM 189 CB LEU A 363 -4.311 -1.401 -8.297 1.00 0.00 C ATOM 190 CG LEU A 363 -3.186 -1.639 -9.317 1.00 0.00 C ATOM 191 CD1 LEU A 363 -2.403 -2.903 -8.954 1.00 0.00 C ATOM 192 CD2 LEU A 363 -3.787 -1.796 -10.715 1.00 0.00 C ATOM 0 H LEU A 363 -5.825 -2.864 -9.644 1.00 0.00 H new ATOM 0 HA LEU A 363 -4.002 -3.415 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 363 -5.124 -0.846 -8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 363 -3.941 -0.789 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 363 -2.509 -0.785 -9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 363 -1.609 -3.061 -9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 363 -1.967 -2.788 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 363 -3.075 -3.761 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 363 -2.988 -1.965 -11.437 1.00 0.00 H new ATOM 0 HD22 LEU A 363 -4.470 -2.645 -10.724 1.00 0.00 H new ATOM 0 HD23 LEU A 363 -4.331 -0.890 -10.981 1.00 0.00 H new ATOM 204 N ASP A 364 -6.881 -2.491 -6.463 1.00 0.00 N ATOM 205 CA ASP A 364 -7.643 -2.250 -5.204 1.00 0.00 C ATOM 206 C ASP A 364 -7.261 -0.878 -4.652 1.00 0.00 C ATOM 207 O ASP A 364 -6.940 -0.728 -3.489 1.00 0.00 O ATOM 208 CB ASP A 364 -7.291 -3.329 -4.178 1.00 0.00 C ATOM 209 CG ASP A 364 -7.776 -4.691 -4.681 1.00 0.00 C ATOM 210 OD1 ASP A 364 -8.567 -4.710 -5.610 1.00 0.00 O ATOM 211 OD2 ASP A 364 -7.350 -5.691 -4.127 1.00 0.00 O ATOM 0 H ASP A 364 -7.450 -2.646 -7.295 1.00 0.00 H new ATOM 0 HA ASP A 364 -8.713 -2.284 -5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 364 -6.214 -3.353 -4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -7.754 -3.098 -3.219 1.00 0.00 H new ATOM 216 N ILE A 365 -7.287 0.122 -5.486 1.00 0.00 N ATOM 217 CA ILE A 365 -6.922 1.488 -5.025 1.00 0.00 C ATOM 218 C ILE A 365 -8.113 2.428 -5.199 1.00 0.00 C ATOM 219 O ILE A 365 -9.176 2.029 -5.635 1.00 0.00 O ATOM 220 CB ILE A 365 -5.741 2.002 -5.851 1.00 0.00 C ATOM 221 CG1 ILE A 365 -5.883 1.522 -7.298 1.00 0.00 C ATOM 222 CG2 ILE A 365 -4.436 1.465 -5.261 1.00 0.00 C ATOM 223 CD1 ILE A 365 -5.345 2.596 -8.244 1.00 0.00 C ATOM 0 H ILE A 365 -7.546 0.052 -6.470 1.00 0.00 H new ATOM 0 HA ILE A 365 -6.645 1.452 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 365 -5.729 3.092 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 365 -5.336 0.590 -7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -6.929 1.314 -7.523 1.00 0.00 H new ATOM 0 HG21 ILE A 365 -3.594 1.830 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 365 -4.335 1.806 -4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 365 -4.448 0.375 -5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -5.445 2.256 -9.275 1.00 0.00 H new ATOM 0 HD12 ILE A 365 -5.912 3.517 -8.109 1.00 0.00 H new ATOM 0 HD13 ILE A 365 -4.294 2.781 -8.024 1.00 0.00 H new ATOM 235 N ASP A 366 -7.944 3.677 -4.862 1.00 0.00 N ATOM 236 CA ASP A 366 -9.066 4.645 -5.010 1.00 0.00 C ATOM 237 C ASP A 366 -9.062 5.203 -6.434 1.00 0.00 C ATOM 238 O ASP A 366 -8.104 5.050 -7.166 1.00 0.00 O ATOM 239 CB ASP A 366 -8.893 5.787 -4.006 1.00 0.00 C ATOM 240 CG ASP A 366 -8.706 5.207 -2.601 1.00 0.00 C ATOM 241 OD1 ASP A 366 -9.150 4.092 -2.378 1.00 0.00 O ATOM 242 OD2 ASP A 366 -8.124 5.887 -1.773 1.00 0.00 O ATOM 0 H ASP A 366 -7.078 4.068 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 366 -10.014 4.142 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -8.031 6.397 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -9.765 6.440 -4.028 1.00 0.00 H new ATOM 247 N GLU A 367 -10.125 5.839 -6.837 1.00 0.00 N ATOM 248 CA GLU A 367 -10.181 6.393 -8.219 1.00 0.00 C ATOM 249 C GLU A 367 -9.162 7.524 -8.368 1.00 0.00 C ATOM 250 O GLU A 367 -8.531 7.672 -9.397 1.00 0.00 O ATOM 251 CB GLU A 367 -11.586 6.927 -8.495 1.00 0.00 C ATOM 252 CG GLU A 367 -12.589 5.775 -8.413 1.00 0.00 C ATOM 253 CD GLU A 367 -12.215 4.697 -9.435 1.00 0.00 C ATOM 254 OE1 GLU A 367 -11.464 5.007 -10.345 1.00 0.00 O ATOM 255 OE2 GLU A 367 -12.686 3.581 -9.287 1.00 0.00 O ATOM 0 H GLU A 367 -10.958 6.000 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 367 -9.944 5.605 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 367 -11.843 7.700 -7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 367 -11.625 7.389 -9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 367 -12.592 5.353 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 367 -13.597 6.142 -8.608 1.00 0.00 H new ATOM 262 N ASP A 368 -8.999 8.328 -7.357 1.00 0.00 N ATOM 263 CA ASP A 368 -8.024 9.453 -7.447 1.00 0.00 C ATOM 264 C ASP A 368 -6.598 8.900 -7.462 1.00 0.00 C ATOM 265 O ASP A 368 -5.690 9.517 -7.983 1.00 0.00 O ATOM 266 CB ASP A 368 -8.198 10.376 -6.241 1.00 0.00 C ATOM 267 CG ASP A 368 -9.583 11.023 -6.286 1.00 0.00 C ATOM 268 OD1 ASP A 368 -10.216 10.949 -7.327 1.00 0.00 O ATOM 269 OD2 ASP A 368 -9.989 11.577 -5.279 1.00 0.00 O ATOM 0 H ASP A 368 -9.498 8.256 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 368 -8.204 10.013 -8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 368 -8.080 9.810 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 368 -7.426 11.145 -6.245 1.00 0.00 H new ATOM 274 N PHE A 369 -6.390 7.742 -6.898 1.00 0.00 N ATOM 275 CA PHE A 369 -5.020 7.156 -6.886 1.00 0.00 C ATOM 276 C PHE A 369 -4.728 6.531 -8.250 1.00 0.00 C ATOM 277 O PHE A 369 -3.671 6.718 -8.817 1.00 0.00 O ATOM 278 CB PHE A 369 -4.928 6.083 -5.800 1.00 0.00 C ATOM 279 CG PHE A 369 -3.507 5.582 -5.704 1.00 0.00 C ATOM 280 CD1 PHE A 369 -3.065 4.558 -6.551 1.00 0.00 C ATOM 281 CD2 PHE A 369 -2.630 6.142 -4.767 1.00 0.00 C ATOM 282 CE1 PHE A 369 -1.747 4.095 -6.460 1.00 0.00 C ATOM 283 CE2 PHE A 369 -1.312 5.678 -4.676 1.00 0.00 C ATOM 284 CZ PHE A 369 -0.871 4.655 -5.523 1.00 0.00 C ATOM 0 H PHE A 369 -7.109 7.177 -6.445 1.00 0.00 H new ATOM 0 HA PHE A 369 -4.291 7.939 -6.678 1.00 0.00 H new ATOM 0 HB2 PHE A 369 -5.246 6.493 -4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 369 -5.601 5.257 -6.032 1.00 0.00 H new ATOM 0 HD1 PHE A 369 -3.741 4.126 -7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 369 -2.970 6.932 -4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 369 -1.406 3.305 -7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 369 -0.636 6.109 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 369 0.146 4.297 -5.454 1.00 0.00 H new ATOM 294 N ALA A 370 -5.663 5.793 -8.784 1.00 0.00 N ATOM 295 CA ALA A 370 -5.443 5.161 -10.113 1.00 0.00 C ATOM 296 C ALA A 370 -4.980 6.231 -11.101 1.00 0.00 C ATOM 297 O ALA A 370 -4.068 6.026 -11.877 1.00 0.00 O ATOM 298 CB ALA A 370 -6.754 4.541 -10.603 1.00 0.00 C ATOM 0 H ALA A 370 -6.569 5.601 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 370 -4.684 4.382 -10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -6.596 4.077 -11.577 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -7.088 3.786 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -7.514 5.318 -10.690 1.00 0.00 H new ATOM 304 N THR A 371 -5.603 7.376 -11.075 1.00 0.00 N ATOM 305 CA THR A 371 -5.203 8.465 -12.008 1.00 0.00 C ATOM 306 C THR A 371 -3.689 8.637 -11.972 1.00 0.00 C ATOM 307 O THR A 371 -3.045 8.739 -12.989 1.00 0.00 O ATOM 308 CB THR A 371 -5.863 9.776 -11.579 1.00 0.00 C ATOM 309 OG1 THR A 371 -5.464 10.090 -10.252 1.00 0.00 O ATOM 310 CG2 THR A 371 -7.382 9.623 -11.638 1.00 0.00 C ATOM 0 H THR A 371 -6.373 7.605 -10.447 1.00 0.00 H new ATOM 0 HA THR A 371 -5.521 8.206 -13.018 1.00 0.00 H new ATOM 0 HB THR A 371 -5.556 10.579 -12.249 1.00 0.00 H new ATOM 0 HG1 THR A 371 -5.850 9.437 -9.631 1.00 0.00 H new ATOM 0 HG21 THR A 371 -7.854 10.557 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 371 -7.684 9.380 -12.657 1.00 0.00 H new ATOM 0 HG23 THR A 371 -7.693 8.823 -10.967 1.00 0.00 H new ATOM 318 N VAL A 372 -3.113 8.679 -10.807 1.00 0.00 N ATOM 319 CA VAL A 372 -1.637 8.856 -10.715 1.00 0.00 C ATOM 320 C VAL A 372 -0.929 7.745 -11.495 1.00 0.00 C ATOM 321 O VAL A 372 0.120 7.955 -12.071 1.00 0.00 O ATOM 322 CB VAL A 372 -1.212 8.805 -9.248 1.00 0.00 C ATOM 323 CG1 VAL A 372 0.315 8.813 -9.155 1.00 0.00 C ATOM 324 CG2 VAL A 372 -1.775 10.024 -8.518 1.00 0.00 C ATOM 0 H VAL A 372 -3.598 8.599 -9.913 1.00 0.00 H new ATOM 0 HA VAL A 372 -1.362 9.820 -11.142 1.00 0.00 H new ATOM 0 HB VAL A 372 -1.595 7.894 -8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 372 0.616 8.777 -8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 372 0.716 7.945 -9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 372 0.703 9.723 -9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 372 -1.474 9.992 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 372 -1.390 10.934 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 372 -2.863 10.017 -8.583 1.00 0.00 H new ATOM 334 N LEU A 373 -1.494 6.569 -11.538 1.00 0.00 N ATOM 335 CA LEU A 373 -0.845 5.470 -12.302 1.00 0.00 C ATOM 336 C LEU A 373 -1.169 5.656 -13.782 1.00 0.00 C ATOM 337 O LEU A 373 -0.311 5.557 -14.637 1.00 0.00 O ATOM 338 CB LEU A 373 -1.380 4.119 -11.821 1.00 0.00 C ATOM 339 CG LEU A 373 -1.090 3.947 -10.326 1.00 0.00 C ATOM 340 CD1 LEU A 373 0.271 4.561 -9.990 1.00 0.00 C ATOM 341 CD2 LEU A 373 -2.179 4.646 -9.511 1.00 0.00 C ATOM 0 H LEU A 373 -2.372 6.324 -11.080 1.00 0.00 H new ATOM 0 HA LEU A 373 0.234 5.494 -12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -2.453 4.057 -12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -0.915 3.311 -12.386 1.00 0.00 H new ATOM 0 HG LEU A 373 -1.077 2.885 -10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 373 0.474 4.437 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 373 1.048 4.061 -10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 373 0.262 5.623 -10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -1.973 4.524 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -2.193 5.708 -9.758 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -3.148 4.206 -9.746 1.00 0.00 H new ATOM 353 N VAL A 374 -2.406 5.939 -14.087 1.00 0.00 N ATOM 354 CA VAL A 374 -2.796 6.150 -15.506 1.00 0.00 C ATOM 355 C VAL A 374 -2.283 7.519 -15.955 1.00 0.00 C ATOM 356 O VAL A 374 -1.988 7.741 -17.113 1.00 0.00 O ATOM 357 CB VAL A 374 -4.321 6.113 -15.616 1.00 0.00 C ATOM 358 CG1 VAL A 374 -4.748 6.579 -17.009 1.00 0.00 C ATOM 359 CG2 VAL A 374 -4.809 4.684 -15.382 1.00 0.00 C ATOM 0 H VAL A 374 -3.164 6.033 -13.411 1.00 0.00 H new ATOM 0 HA VAL A 374 -2.369 5.370 -16.136 1.00 0.00 H new ATOM 0 HB VAL A 374 -4.756 6.775 -14.867 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -5.835 6.552 -17.085 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.398 7.598 -17.175 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -4.315 5.920 -17.762 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -5.896 4.653 -15.460 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -4.373 4.023 -16.131 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -4.507 4.355 -14.388 1.00 0.00 H new ATOM 369 N GLU A 375 -2.175 8.434 -15.034 1.00 0.00 N ATOM 370 CA GLU A 375 -1.681 9.797 -15.369 1.00 0.00 C ATOM 371 C GLU A 375 -0.197 9.717 -15.726 1.00 0.00 C ATOM 372 O GLU A 375 0.264 10.340 -16.662 1.00 0.00 O ATOM 373 CB GLU A 375 -1.868 10.707 -14.152 1.00 0.00 C ATOM 374 CG GLU A 375 -3.330 11.158 -14.068 1.00 0.00 C ATOM 375 CD GLU A 375 -3.510 12.081 -12.861 1.00 0.00 C ATOM 376 OE1 GLU A 375 -2.556 12.246 -12.119 1.00 0.00 O ATOM 377 OE2 GLU A 375 -4.600 12.606 -12.699 1.00 0.00 O ATOM 0 H GLU A 375 -2.411 8.293 -14.052 1.00 0.00 H new ATOM 0 HA GLU A 375 -2.237 10.200 -16.216 1.00 0.00 H new ATOM 0 HB2 GLU A 375 -1.588 10.177 -13.242 1.00 0.00 H new ATOM 0 HB3 GLU A 375 -1.213 11.575 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 375 -3.615 11.678 -14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 375 -3.985 10.291 -13.977 1.00 0.00 H new ATOM 384 N GLU A 376 0.552 8.949 -14.985 1.00 0.00 N ATOM 385 CA GLU A 376 2.006 8.819 -15.276 1.00 0.00 C ATOM 386 C GLU A 376 2.196 8.100 -16.613 1.00 0.00 C ATOM 387 O GLU A 376 3.167 8.316 -17.312 1.00 0.00 O ATOM 388 CB GLU A 376 2.675 8.013 -14.162 1.00 0.00 C ATOM 389 CG GLU A 376 4.180 7.928 -14.421 1.00 0.00 C ATOM 390 CD GLU A 376 4.829 9.277 -14.109 1.00 0.00 C ATOM 391 OE1 GLU A 376 4.246 10.032 -13.348 1.00 0.00 O ATOM 392 OE2 GLU A 376 5.899 9.533 -14.637 1.00 0.00 O ATOM 0 H GLU A 376 0.219 8.405 -14.189 1.00 0.00 H new ATOM 0 HA GLU A 376 2.458 9.809 -15.331 1.00 0.00 H new ATOM 0 HB2 GLU A 376 2.488 8.484 -13.197 1.00 0.00 H new ATOM 0 HB3 GLU A 376 2.247 7.012 -14.117 1.00 0.00 H new ATOM 0 HG2 GLU A 376 4.623 7.148 -13.802 1.00 0.00 H new ATOM 0 HG3 GLU A 376 4.366 7.655 -15.460 1.00 0.00 H new ATOM 399 N GLY A 377 1.278 7.245 -16.976 1.00 0.00 N ATOM 400 CA GLY A 377 1.413 6.515 -18.269 1.00 0.00 C ATOM 401 C GLY A 377 1.195 5.019 -18.038 1.00 0.00 C ATOM 402 O GLY A 377 1.732 4.188 -18.744 1.00 0.00 O ATOM 0 H GLY A 377 0.443 7.021 -16.435 1.00 0.00 H new ATOM 0 HA2 GLY A 377 0.686 6.892 -18.989 1.00 0.00 H new ATOM 0 HA3 GLY A 377 2.402 6.687 -18.694 1.00 0.00 H new ATOM 406 N PHE A 378 0.409 4.668 -17.058 1.00 0.00 N ATOM 407 CA PHE A 378 0.154 3.228 -16.783 1.00 0.00 C ATOM 408 C PHE A 378 -1.352 2.967 -16.845 1.00 0.00 C ATOM 409 O PHE A 378 -2.028 2.939 -15.837 1.00 0.00 O ATOM 410 CB PHE A 378 0.683 2.873 -15.390 1.00 0.00 C ATOM 411 CG PHE A 378 2.179 3.078 -15.354 1.00 0.00 C ATOM 412 CD1 PHE A 378 2.707 4.323 -14.991 1.00 0.00 C ATOM 413 CD2 PHE A 378 3.038 2.023 -15.685 1.00 0.00 C ATOM 414 CE1 PHE A 378 4.095 4.513 -14.961 1.00 0.00 C ATOM 415 CE2 PHE A 378 4.424 2.213 -15.653 1.00 0.00 C ATOM 416 CZ PHE A 378 4.952 3.457 -15.292 1.00 0.00 C ATOM 0 H PHE A 378 -0.069 5.319 -16.435 1.00 0.00 H new ATOM 0 HA PHE A 378 0.662 2.614 -17.526 1.00 0.00 H new ATOM 0 HB2 PHE A 378 0.201 3.496 -14.636 1.00 0.00 H new ATOM 0 HB3 PHE A 378 0.441 1.838 -15.150 1.00 0.00 H new ATOM 0 HD1 PHE A 378 2.045 5.137 -14.734 1.00 0.00 H new ATOM 0 HD2 PHE A 378 2.631 1.063 -15.965 1.00 0.00 H new ATOM 0 HE1 PHE A 378 4.503 5.473 -14.683 1.00 0.00 H new ATOM 0 HE2 PHE A 378 5.086 1.399 -15.907 1.00 0.00 H new ATOM 0 HZ PHE A 378 6.022 3.603 -15.269 1.00 0.00 H new ATOM 426 N SER A 379 -1.885 2.780 -18.023 1.00 0.00 N ATOM 427 CA SER A 379 -3.349 2.528 -18.148 1.00 0.00 C ATOM 428 C SER A 379 -3.608 1.020 -18.212 1.00 0.00 C ATOM 429 O SER A 379 -4.735 0.578 -18.310 1.00 0.00 O ATOM 430 CB SER A 379 -3.873 3.188 -19.425 1.00 0.00 C ATOM 431 OG SER A 379 -3.496 2.409 -20.551 1.00 0.00 O ATOM 0 H SER A 379 -1.370 2.791 -18.903 1.00 0.00 H new ATOM 0 HA SER A 379 -3.862 2.947 -17.283 1.00 0.00 H new ATOM 0 HB2 SER A 379 -4.958 3.280 -19.380 1.00 0.00 H new ATOM 0 HB3 SER A 379 -3.471 4.197 -19.517 1.00 0.00 H new ATOM 0 HG SER A 379 -3.833 2.831 -21.369 1.00 0.00 H new ATOM 437 N THR A 380 -2.574 0.228 -18.154 1.00 0.00 N ATOM 438 CA THR A 380 -2.764 -1.248 -18.209 1.00 0.00 C ATOM 439 C THR A 380 -1.987 -1.902 -17.068 1.00 0.00 C ATOM 440 O THR A 380 -0.950 -1.422 -16.657 1.00 0.00 O ATOM 441 CB THR A 380 -2.248 -1.782 -19.547 1.00 0.00 C ATOM 442 OG1 THR A 380 -2.889 -1.089 -20.609 1.00 0.00 O ATOM 443 CG2 THR A 380 -2.552 -3.277 -19.654 1.00 0.00 C ATOM 0 H THR A 380 -1.606 0.539 -18.071 1.00 0.00 H new ATOM 0 HA THR A 380 -3.824 -1.481 -18.110 1.00 0.00 H new ATOM 0 HB THR A 380 -1.171 -1.628 -19.609 1.00 0.00 H new ATOM 0 HG1 THR A 380 -2.559 -1.428 -21.467 1.00 0.00 H new ATOM 0 HG21 THR A 380 -2.184 -3.656 -20.607 1.00 0.00 H new ATOM 0 HG22 THR A 380 -2.060 -3.808 -18.839 1.00 0.00 H new ATOM 0 HG23 THR A 380 -3.629 -3.435 -19.592 1.00 0.00 H new ATOM 451 N LEU A 381 -2.474 -2.996 -16.553 1.00 0.00 N ATOM 452 CA LEU A 381 -1.749 -3.674 -15.444 1.00 0.00 C ATOM 453 C LEU A 381 -0.372 -4.101 -15.945 1.00 0.00 C ATOM 454 O LEU A 381 0.576 -4.190 -15.190 1.00 0.00 O ATOM 455 CB LEU A 381 -2.536 -4.904 -14.990 1.00 0.00 C ATOM 456 CG LEU A 381 -3.896 -4.466 -14.439 1.00 0.00 C ATOM 457 CD1 LEU A 381 -4.732 -5.702 -14.099 1.00 0.00 C ATOM 458 CD2 LEU A 381 -3.692 -3.624 -13.177 1.00 0.00 C ATOM 0 H LEU A 381 -3.339 -3.448 -16.851 1.00 0.00 H new ATOM 0 HA LEU A 381 -1.641 -2.992 -14.601 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -2.674 -5.589 -15.826 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -1.978 -5.443 -14.224 1.00 0.00 H new ATOM 0 HG LEU A 381 -4.416 -3.871 -15.190 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -5.700 -5.390 -13.707 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -4.880 -6.300 -14.998 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -4.212 -6.298 -13.349 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -4.661 -3.313 -12.786 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -3.171 -4.216 -12.425 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -3.099 -2.742 -13.420 1.00 0.00 H new ATOM 470 N GLU A 382 -0.251 -4.357 -17.219 1.00 0.00 N ATOM 471 CA GLU A 382 1.067 -4.769 -17.774 1.00 0.00 C ATOM 472 C GLU A 382 2.078 -3.649 -17.532 1.00 0.00 C ATOM 473 O GLU A 382 3.181 -3.883 -17.086 1.00 0.00 O ATOM 474 CB GLU A 382 0.930 -5.024 -19.275 1.00 0.00 C ATOM 475 CG GLU A 382 0.212 -6.356 -19.501 1.00 0.00 C ATOM 476 CD GLU A 382 0.043 -6.597 -21.002 1.00 0.00 C ATOM 477 OE1 GLU A 382 0.425 -5.727 -21.768 1.00 0.00 O ATOM 478 OE2 GLU A 382 -0.466 -7.646 -21.359 1.00 0.00 O ATOM 0 H GLU A 382 -1.009 -4.298 -17.899 1.00 0.00 H new ATOM 0 HA GLU A 382 1.407 -5.682 -17.286 1.00 0.00 H new ATOM 0 HB2 GLU A 382 0.372 -4.213 -19.743 1.00 0.00 H new ATOM 0 HB3 GLU A 382 1.914 -5.045 -19.743 1.00 0.00 H new ATOM 0 HG2 GLU A 382 0.783 -7.169 -19.053 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -0.762 -6.344 -19.012 1.00 0.00 H new ATOM 485 N GLU A 383 1.713 -2.430 -17.814 1.00 0.00 N ATOM 486 CA GLU A 383 2.658 -1.303 -17.588 1.00 0.00 C ATOM 487 C GLU A 383 3.015 -1.242 -16.103 1.00 0.00 C ATOM 488 O GLU A 383 4.155 -1.040 -15.736 1.00 0.00 O ATOM 489 CB GLU A 383 1.998 0.011 -18.010 1.00 0.00 C ATOM 490 CG GLU A 383 1.660 -0.047 -19.500 1.00 0.00 C ATOM 491 CD GLU A 383 2.927 -0.370 -20.295 1.00 0.00 C ATOM 492 OE1 GLU A 383 3.931 0.284 -20.064 1.00 0.00 O ATOM 493 OE2 GLU A 383 2.872 -1.266 -21.121 1.00 0.00 O ATOM 0 H GLU A 383 0.803 -2.166 -18.191 1.00 0.00 H new ATOM 0 HA GLU A 383 3.562 -1.456 -18.178 1.00 0.00 H new ATOM 0 HB2 GLU A 383 1.093 0.180 -17.427 1.00 0.00 H new ATOM 0 HB3 GLU A 383 2.667 0.848 -17.810 1.00 0.00 H new ATOM 0 HG2 GLU A 383 0.899 -0.806 -19.683 1.00 0.00 H new ATOM 0 HG3 GLU A 383 1.245 0.906 -19.828 1.00 0.00 H new ATOM 500 N LEU A 384 2.045 -1.412 -15.247 1.00 0.00 N ATOM 501 CA LEU A 384 2.318 -1.361 -13.782 1.00 0.00 C ATOM 502 C LEU A 384 3.108 -2.599 -13.351 1.00 0.00 C ATOM 503 O LEU A 384 4.028 -2.516 -12.562 1.00 0.00 O ATOM 504 CB LEU A 384 0.992 -1.326 -13.021 1.00 0.00 C ATOM 505 CG LEU A 384 0.256 -0.015 -13.313 1.00 0.00 C ATOM 506 CD1 LEU A 384 -1.137 -0.065 -12.681 1.00 0.00 C ATOM 507 CD2 LEU A 384 1.040 1.162 -12.725 1.00 0.00 C ATOM 0 H LEU A 384 1.072 -1.585 -15.500 1.00 0.00 H new ATOM 0 HA LEU A 384 2.900 -0.467 -13.560 1.00 0.00 H new ATOM 0 HB2 LEU A 384 0.372 -2.174 -13.314 1.00 0.00 H new ATOM 0 HB3 LEU A 384 1.175 -1.420 -11.951 1.00 0.00 H new ATOM 0 HG LEU A 384 0.166 0.116 -14.391 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -1.664 0.867 -12.887 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -1.698 -0.899 -13.102 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -1.043 -0.198 -11.603 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.512 2.092 -12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.134 1.034 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 384 2.033 1.199 -13.174 1.00 0.00 H new ATOM 519 N ALA A 385 2.742 -3.748 -13.845 1.00 0.00 N ATOM 520 CA ALA A 385 3.459 -4.996 -13.448 1.00 0.00 C ATOM 521 C ALA A 385 4.745 -5.155 -14.264 1.00 0.00 C ATOM 522 O ALA A 385 5.754 -5.610 -13.763 1.00 0.00 O ATOM 523 CB ALA A 385 2.551 -6.203 -13.691 1.00 0.00 C ATOM 0 H ALA A 385 1.977 -3.879 -14.507 1.00 0.00 H new ATOM 0 HA ALA A 385 3.717 -4.933 -12.391 1.00 0.00 H new ATOM 0 HB1 ALA A 385 3.073 -7.115 -13.402 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.643 -6.101 -13.097 1.00 0.00 H new ATOM 0 HB3 ALA A 385 2.289 -6.254 -14.748 1.00 0.00 H new ATOM 529 N TYR A 386 4.722 -4.790 -15.516 1.00 0.00 N ATOM 530 CA TYR A 386 5.948 -4.931 -16.352 1.00 0.00 C ATOM 531 C TYR A 386 6.975 -3.893 -15.907 1.00 0.00 C ATOM 532 O TYR A 386 8.154 -4.171 -15.811 1.00 0.00 O ATOM 533 CB TYR A 386 5.598 -4.714 -17.827 1.00 0.00 C ATOM 534 CG TYR A 386 4.821 -5.906 -18.342 1.00 0.00 C ATOM 535 CD1 TYR A 386 3.687 -6.357 -17.654 1.00 0.00 C ATOM 536 CD2 TYR A 386 5.236 -6.561 -19.508 1.00 0.00 C ATOM 537 CE1 TYR A 386 2.970 -7.459 -18.131 1.00 0.00 C ATOM 538 CE2 TYR A 386 4.519 -7.665 -19.984 1.00 0.00 C ATOM 539 CZ TYR A 386 3.386 -8.114 -19.295 1.00 0.00 C ATOM 540 OH TYR A 386 2.679 -9.203 -19.765 1.00 0.00 O ATOM 0 H TYR A 386 3.910 -4.401 -15.996 1.00 0.00 H new ATOM 0 HA TYR A 386 6.361 -5.932 -16.231 1.00 0.00 H new ATOM 0 HB2 TYR A 386 5.008 -3.805 -17.942 1.00 0.00 H new ATOM 0 HB3 TYR A 386 6.508 -4.579 -18.412 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.366 -5.853 -16.754 1.00 0.00 H new ATOM 0 HD2 TYR A 386 6.109 -6.214 -20.040 1.00 0.00 H new ATOM 0 HE1 TYR A 386 2.095 -7.804 -17.601 1.00 0.00 H new ATOM 0 HE2 TYR A 386 4.840 -8.170 -20.883 1.00 0.00 H new ATOM 0 HH TYR A 386 3.101 -9.539 -20.583 1.00 0.00 H new ATOM 550 N VAL A 387 6.535 -2.700 -15.623 1.00 0.00 N ATOM 551 CA VAL A 387 7.482 -1.647 -15.170 1.00 0.00 C ATOM 552 C VAL A 387 8.121 -2.089 -13.852 1.00 0.00 C ATOM 553 O VAL A 387 7.475 -2.688 -13.014 1.00 0.00 O ATOM 554 CB VAL A 387 6.721 -0.339 -14.958 1.00 0.00 C ATOM 555 CG1 VAL A 387 5.720 -0.512 -13.814 1.00 0.00 C ATOM 556 CG2 VAL A 387 7.708 0.774 -14.611 1.00 0.00 C ATOM 0 H VAL A 387 5.559 -2.409 -15.685 1.00 0.00 H new ATOM 0 HA VAL A 387 8.257 -1.495 -15.921 1.00 0.00 H new ATOM 0 HB VAL A 387 6.186 -0.077 -15.871 1.00 0.00 H new ATOM 0 HG11 VAL A 387 5.177 0.421 -13.662 1.00 0.00 H new ATOM 0 HG12 VAL A 387 5.016 -1.306 -14.064 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.253 -0.774 -12.900 1.00 0.00 H new ATOM 0 HG21 VAL A 387 7.166 1.707 -14.460 1.00 0.00 H new ATOM 0 HG22 VAL A 387 8.244 0.514 -13.698 1.00 0.00 H new ATOM 0 HG23 VAL A 387 8.420 0.896 -15.427 1.00 0.00 H new ATOM 566 N PRO A 388 9.415 -1.794 -13.665 1.00 0.00 N ATOM 567 CA PRO A 388 10.140 -2.171 -12.447 1.00 0.00 C ATOM 568 C PRO A 388 9.671 -1.375 -11.229 1.00 0.00 C ATOM 569 O PRO A 388 8.961 -0.395 -11.343 1.00 0.00 O ATOM 570 CB PRO A 388 11.590 -1.823 -12.766 1.00 0.00 C ATOM 571 CG PRO A 388 11.497 -0.760 -13.803 1.00 0.00 C ATOM 572 CD PRO A 388 10.274 -1.074 -14.620 1.00 0.00 C ATOM 0 HA PRO A 388 9.984 -3.220 -12.194 1.00 0.00 H new ATOM 0 HB2 PRO A 388 12.118 -1.469 -11.880 1.00 0.00 H new ATOM 0 HB3 PRO A 388 12.135 -2.692 -13.135 1.00 0.00 H new ATOM 0 HG2 PRO A 388 11.416 0.225 -13.344 1.00 0.00 H new ATOM 0 HG3 PRO A 388 12.390 -0.747 -14.428 1.00 0.00 H new ATOM 0 HD2 PRO A 388 9.794 -0.169 -14.992 1.00 0.00 H new ATOM 0 HD3 PRO A 388 10.515 -1.687 -15.488 1.00 0.00 H new ATOM 580 N MET A 389 10.054 -1.806 -10.065 1.00 0.00 N ATOM 581 CA MET A 389 9.629 -1.101 -8.823 1.00 0.00 C ATOM 582 C MET A 389 10.114 0.351 -8.849 1.00 0.00 C ATOM 583 O MET A 389 9.329 1.276 -8.906 1.00 0.00 O ATOM 584 CB MET A 389 10.222 -1.814 -7.607 1.00 0.00 C ATOM 585 CG MET A 389 9.228 -1.745 -6.446 1.00 0.00 C ATOM 586 SD MET A 389 8.766 -0.021 -6.147 1.00 0.00 S ATOM 587 CE MET A 389 10.404 0.570 -5.653 1.00 0.00 C ATOM 0 H MET A 389 10.648 -2.622 -9.916 1.00 0.00 H new ATOM 0 HA MET A 389 8.541 -1.111 -8.762 1.00 0.00 H new ATOM 0 HB2 MET A 389 10.441 -2.853 -7.852 1.00 0.00 H new ATOM 0 HB3 MET A 389 11.165 -1.348 -7.322 1.00 0.00 H new ATOM 0 HG2 MET A 389 8.341 -2.335 -6.677 1.00 0.00 H new ATOM 0 HG3 MET A 389 9.672 -2.175 -5.548 1.00 0.00 H new ATOM 0 HE1 MET A 389 10.336 1.060 -4.682 1.00 0.00 H new ATOM 0 HE2 MET A 389 11.091 -0.274 -5.587 1.00 0.00 H new ATOM 0 HE3 MET A 389 10.773 1.280 -6.393 1.00 0.00 H new ATOM 597 N LYS A 390 11.400 0.557 -8.789 1.00 0.00 N ATOM 598 CA LYS A 390 11.937 1.948 -8.790 1.00 0.00 C ATOM 599 C LYS A 390 11.182 2.810 -9.806 1.00 0.00 C ATOM 600 O LYS A 390 10.683 3.867 -9.481 1.00 0.00 O ATOM 601 CB LYS A 390 13.422 1.919 -9.155 1.00 0.00 C ATOM 602 CG LYS A 390 14.211 1.258 -8.024 1.00 0.00 C ATOM 603 CD LYS A 390 15.709 1.388 -8.308 1.00 0.00 C ATOM 604 CE LYS A 390 16.496 0.613 -7.250 1.00 0.00 C ATOM 605 NZ LYS A 390 16.347 1.286 -5.929 1.00 0.00 N ATOM 0 H LYS A 390 12.104 -0.179 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 390 11.807 2.377 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 390 13.568 1.369 -10.085 1.00 0.00 H new ATOM 0 HB3 LYS A 390 13.786 2.933 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 390 13.968 1.729 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 390 13.935 0.207 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 390 15.937 1.002 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 390 16.002 2.438 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 390 16.133 -0.413 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 390 17.549 0.563 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 17.045 0.900 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 16.503 2.308 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 15.389 1.120 -5.561 1.00 0.00 H new ATOM 619 N GLU A 391 11.089 2.374 -11.031 1.00 0.00 N ATOM 620 CA GLU A 391 10.366 3.187 -12.046 1.00 0.00 C ATOM 621 C GLU A 391 9.029 3.631 -11.460 1.00 0.00 C ATOM 622 O GLU A 391 8.540 4.709 -11.735 1.00 0.00 O ATOM 623 CB GLU A 391 10.126 2.346 -13.299 1.00 0.00 C ATOM 624 CG GLU A 391 9.449 3.206 -14.368 1.00 0.00 C ATOM 625 CD GLU A 391 10.399 4.326 -14.799 1.00 0.00 C ATOM 626 OE1 GLU A 391 11.598 4.132 -14.689 1.00 0.00 O ATOM 627 OE2 GLU A 391 9.911 5.356 -15.230 1.00 0.00 O ATOM 0 H GLU A 391 11.480 1.495 -11.371 1.00 0.00 H new ATOM 0 HA GLU A 391 10.960 4.061 -12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 391 11.072 1.957 -13.675 1.00 0.00 H new ATOM 0 HB3 GLU A 391 9.501 1.486 -13.059 1.00 0.00 H new ATOM 0 HG2 GLU A 391 9.180 2.592 -15.227 1.00 0.00 H new ATOM 0 HG3 GLU A 391 8.524 3.630 -13.977 1.00 0.00 H new ATOM 634 N LEU A 392 8.440 2.805 -10.646 1.00 0.00 N ATOM 635 CA LEU A 392 7.134 3.173 -10.029 1.00 0.00 C ATOM 636 C LEU A 392 7.392 3.978 -8.752 1.00 0.00 C ATOM 637 O LEU A 392 6.776 4.997 -8.512 1.00 0.00 O ATOM 638 CB LEU A 392 6.353 1.902 -9.686 1.00 0.00 C ATOM 639 CG LEU A 392 5.976 1.172 -10.978 1.00 0.00 C ATOM 640 CD1 LEU A 392 5.088 -0.029 -10.647 1.00 0.00 C ATOM 641 CD2 LEU A 392 5.216 2.127 -11.900 1.00 0.00 C ATOM 0 H LEU A 392 8.804 1.890 -10.380 1.00 0.00 H new ATOM 0 HA LEU A 392 6.553 3.773 -10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 392 6.955 1.252 -9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 392 5.455 2.155 -9.123 1.00 0.00 H new ATOM 0 HG LEU A 392 6.882 0.827 -11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 392 4.820 -0.548 -11.567 1.00 0.00 H new ATOM 0 HD12 LEU A 392 5.628 -0.711 -9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 392 4.182 0.315 -10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 392 4.947 1.608 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 392 4.311 2.472 -11.400 1.00 0.00 H new ATOM 0 HD23 LEU A 392 5.848 2.983 -12.138 1.00 0.00 H new ATOM 653 N LEU A 393 8.300 3.524 -7.931 1.00 0.00 N ATOM 654 CA LEU A 393 8.602 4.257 -6.667 1.00 0.00 C ATOM 655 C LEU A 393 9.225 5.614 -6.990 1.00 0.00 C ATOM 656 O LEU A 393 9.013 6.588 -6.294 1.00 0.00 O ATOM 657 CB LEU A 393 9.587 3.440 -5.832 1.00 0.00 C ATOM 658 CG LEU A 393 9.972 4.235 -4.582 1.00 0.00 C ATOM 659 CD1 LEU A 393 9.674 3.402 -3.336 1.00 0.00 C ATOM 660 CD2 LEU A 393 11.464 4.566 -4.627 1.00 0.00 C ATOM 0 H LEU A 393 8.847 2.676 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 393 7.677 4.407 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 393 9.138 2.488 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 393 10.476 3.210 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 393 9.395 5.159 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 393 9.948 3.968 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.611 3.165 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 393 10.250 2.478 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 393 11.738 5.132 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 393 12.041 3.642 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 393 11.678 5.160 -5.515 1.00 0.00 H new ATOM 672 N GLU A 394 10.001 5.684 -8.034 1.00 0.00 N ATOM 673 CA GLU A 394 10.648 6.975 -8.395 1.00 0.00 C ATOM 674 C GLU A 394 9.643 7.879 -9.108 1.00 0.00 C ATOM 675 O GLU A 394 9.865 9.064 -9.255 1.00 0.00 O ATOM 676 CB GLU A 394 11.839 6.709 -9.319 1.00 0.00 C ATOM 677 CG GLU A 394 12.792 5.713 -8.652 1.00 0.00 C ATOM 678 CD GLU A 394 14.062 5.582 -9.493 1.00 0.00 C ATOM 679 OE1 GLU A 394 14.043 6.022 -10.631 1.00 0.00 O ATOM 680 OE2 GLU A 394 15.033 5.046 -8.986 1.00 0.00 O ATOM 0 H GLU A 394 10.215 4.903 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 394 10.993 7.469 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 394 11.491 6.312 -10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 394 12.362 7.641 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 394 13.042 6.050 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 394 12.308 4.742 -8.551 1.00 0.00 H new ATOM 687 N ILE A 395 8.548 7.328 -9.562 1.00 0.00 N ATOM 688 CA ILE A 395 7.531 8.155 -10.276 1.00 0.00 C ATOM 689 C ILE A 395 7.526 9.580 -9.728 1.00 0.00 C ATOM 690 O ILE A 395 7.372 10.535 -10.464 1.00 0.00 O ATOM 691 CB ILE A 395 6.148 7.529 -10.092 1.00 0.00 C ATOM 692 CG1 ILE A 395 6.071 6.233 -10.899 1.00 0.00 C ATOM 693 CG2 ILE A 395 5.078 8.503 -10.590 1.00 0.00 C ATOM 694 CD1 ILE A 395 4.665 5.639 -10.790 1.00 0.00 C ATOM 0 H ILE A 395 8.314 6.340 -9.469 1.00 0.00 H new ATOM 0 HA ILE A 395 7.782 8.188 -11.336 1.00 0.00 H new ATOM 0 HB ILE A 395 5.980 7.314 -9.037 1.00 0.00 H new ATOM 0 HG12 ILE A 395 6.313 6.429 -11.944 1.00 0.00 H new ATOM 0 HG13 ILE A 395 6.807 5.519 -10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 395 4.092 8.058 -10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 395 5.136 9.430 -10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 395 5.243 8.716 -11.646 1.00 0.00 H new ATOM 0 HD11 ILE A 395 4.614 4.715 -11.367 1.00 0.00 H new ATOM 0 HD12 ILE A 395 4.440 5.427 -9.745 1.00 0.00 H new ATOM 0 HD13 ILE A 395 3.938 6.351 -11.181 1.00 0.00 H new ATOM 706 N GLU A 396 7.700 9.739 -8.447 1.00 0.00 N ATOM 707 CA GLU A 396 7.710 11.114 -7.876 1.00 0.00 C ATOM 708 C GLU A 396 7.954 11.063 -6.368 1.00 0.00 C ATOM 709 O GLU A 396 8.784 11.777 -5.842 1.00 0.00 O ATOM 710 CB GLU A 396 6.369 11.797 -8.160 1.00 0.00 C ATOM 711 CG GLU A 396 5.288 11.208 -7.251 1.00 0.00 C ATOM 712 CD GLU A 396 3.926 11.794 -7.635 1.00 0.00 C ATOM 713 OE1 GLU A 396 3.900 12.687 -8.464 1.00 0.00 O ATOM 714 OE2 GLU A 396 2.933 11.338 -7.092 1.00 0.00 O ATOM 0 H GLU A 396 7.835 8.984 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 396 8.515 11.683 -8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 396 6.454 12.871 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 396 6.094 11.659 -9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 396 5.269 10.122 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 396 5.512 11.433 -6.208 1.00 0.00 H new ATOM 721 N GLY A 397 7.243 10.231 -5.668 1.00 0.00 N ATOM 722 CA GLY A 397 7.440 10.144 -4.195 1.00 0.00 C ATOM 723 C GLY A 397 6.629 8.976 -3.643 1.00 0.00 C ATOM 724 O GLY A 397 6.098 9.033 -2.552 1.00 0.00 O ATOM 0 H GLY A 397 6.533 9.606 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 397 8.497 10.008 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 397 7.128 11.074 -3.720 1.00 0.00 H new ATOM 728 N LEU A 398 6.527 7.914 -4.391 1.00 0.00 N ATOM 729 CA LEU A 398 5.746 6.740 -3.906 1.00 0.00 C ATOM 730 C LEU A 398 6.573 5.971 -2.873 1.00 0.00 C ATOM 731 O LEU A 398 7.788 5.994 -2.894 1.00 0.00 O ATOM 732 CB LEU A 398 5.409 5.827 -5.086 1.00 0.00 C ATOM 733 CG LEU A 398 4.573 6.606 -6.101 1.00 0.00 C ATOM 734 CD1 LEU A 398 4.181 5.685 -7.258 1.00 0.00 C ATOM 735 CD2 LEU A 398 3.309 7.136 -5.420 1.00 0.00 C ATOM 0 H LEU A 398 6.948 7.807 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 398 4.820 7.082 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 398 6.324 5.464 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 398 4.859 4.952 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 398 5.157 7.442 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 398 3.585 6.242 -7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 398 5.081 5.308 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 398 3.597 4.848 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 398 2.712 7.692 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 398 2.726 6.300 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 398 3.588 7.794 -4.597 1.00 0.00 H new ATOM 747 N ASP A 399 5.926 5.303 -1.956 1.00 0.00 N ATOM 748 CA ASP A 399 6.678 4.549 -0.911 1.00 0.00 C ATOM 749 C ASP A 399 7.064 3.162 -1.429 1.00 0.00 C ATOM 750 O ASP A 399 6.452 2.625 -2.330 1.00 0.00 O ATOM 751 CB ASP A 399 5.811 4.402 0.340 1.00 0.00 C ATOM 752 CG ASP A 399 5.082 5.720 0.613 1.00 0.00 C ATOM 753 OD1 ASP A 399 5.605 6.753 0.227 1.00 0.00 O ATOM 754 OD2 ASP A 399 4.016 5.673 1.204 1.00 0.00 O ATOM 0 H ASP A 399 4.910 5.247 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 399 7.586 5.100 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 399 5.089 3.597 0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 399 6.431 4.133 1.195 1.00 0.00 H new ATOM 759 N GLU A 400 8.086 2.587 -0.858 1.00 0.00 N ATOM 760 CA GLU A 400 8.547 1.238 -1.297 1.00 0.00 C ATOM 761 C GLU A 400 7.413 0.217 -1.168 1.00 0.00 C ATOM 762 O GLU A 400 7.135 -0.525 -2.089 1.00 0.00 O ATOM 763 CB GLU A 400 9.725 0.799 -0.425 1.00 0.00 C ATOM 764 CG GLU A 400 10.778 0.115 -1.299 1.00 0.00 C ATOM 765 CD GLU A 400 11.999 1.028 -1.433 1.00 0.00 C ATOM 766 OE1 GLU A 400 11.853 2.217 -1.200 1.00 0.00 O ATOM 767 OE2 GLU A 400 13.058 0.523 -1.766 1.00 0.00 O ATOM 0 H GLU A 400 8.628 2.998 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 400 8.855 1.292 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 400 10.160 1.662 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 400 9.382 0.116 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 400 11.070 -0.838 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 400 10.364 -0.103 -2.283 1.00 0.00 H new ATOM 774 N PRO A 401 6.750 0.166 0.000 1.00 0.00 N ATOM 775 CA PRO A 401 5.654 -0.782 0.240 1.00 0.00 C ATOM 776 C PRO A 401 4.423 -0.460 -0.610 1.00 0.00 C ATOM 777 O PRO A 401 3.808 -1.337 -1.182 1.00 0.00 O ATOM 778 CB PRO A 401 5.339 -0.598 1.724 1.00 0.00 C ATOM 779 CG PRO A 401 5.803 0.783 2.038 1.00 0.00 C ATOM 780 CD PRO A 401 7.006 1.025 1.171 1.00 0.00 C ATOM 0 HA PRO A 401 5.931 -1.803 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 401 4.273 -0.712 1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 401 5.856 -1.338 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 401 5.021 1.513 1.832 1.00 0.00 H new ATOM 0 HG3 PRO A 401 6.058 0.878 3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 401 7.096 2.074 0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 401 7.931 0.750 1.678 1.00 0.00 H new ATOM 788 N THR A 402 4.062 0.790 -0.706 1.00 0.00 N ATOM 789 CA THR A 402 2.875 1.154 -1.527 1.00 0.00 C ATOM 790 C THR A 402 3.117 0.718 -2.971 1.00 0.00 C ATOM 791 O THR A 402 2.295 0.062 -3.580 1.00 0.00 O ATOM 792 CB THR A 402 2.661 2.669 -1.478 1.00 0.00 C ATOM 793 OG1 THR A 402 2.556 3.084 -0.123 1.00 0.00 O ATOM 794 CG2 THR A 402 1.376 3.029 -2.226 1.00 0.00 C ATOM 0 H THR A 402 4.536 1.572 -0.253 1.00 0.00 H new ATOM 0 HA THR A 402 1.989 0.655 -1.134 1.00 0.00 H new ATOM 0 HB THR A 402 3.505 3.173 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 402 2.421 4.054 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 402 1.224 4.108 -2.191 1.00 0.00 H new ATOM 0 HG22 THR A 402 1.457 2.708 -3.264 1.00 0.00 H new ATOM 0 HG23 THR A 402 0.529 2.528 -1.757 1.00 0.00 H new ATOM 802 N VAL A 403 4.243 1.076 -3.524 1.00 0.00 N ATOM 803 CA VAL A 403 4.540 0.679 -4.928 1.00 0.00 C ATOM 804 C VAL A 403 4.590 -0.845 -5.016 1.00 0.00 C ATOM 805 O VAL A 403 3.947 -1.449 -5.852 1.00 0.00 O ATOM 806 CB VAL A 403 5.892 1.259 -5.352 1.00 0.00 C ATOM 807 CG1 VAL A 403 6.013 1.206 -6.876 1.00 0.00 C ATOM 808 CG2 VAL A 403 5.996 2.710 -4.882 1.00 0.00 C ATOM 0 H VAL A 403 4.969 1.626 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 403 3.762 1.062 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 403 6.695 0.675 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 403 6.975 1.619 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 403 5.940 0.171 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 403 5.210 1.790 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 403 6.959 3.122 -5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 403 5.194 3.296 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 403 5.910 2.748 -3.796 1.00 0.00 H new ATOM 818 N GLU A 404 5.345 -1.475 -4.158 1.00 0.00 N ATOM 819 CA GLU A 404 5.431 -2.961 -4.193 1.00 0.00 C ATOM 820 C GLU A 404 4.019 -3.552 -4.157 1.00 0.00 C ATOM 821 O GLU A 404 3.686 -4.432 -4.924 1.00 0.00 O ATOM 822 CB GLU A 404 6.220 -3.454 -2.977 1.00 0.00 C ATOM 823 CG GLU A 404 7.707 -3.161 -3.179 1.00 0.00 C ATOM 824 CD GLU A 404 8.496 -3.682 -1.976 1.00 0.00 C ATOM 825 OE1 GLU A 404 7.870 -4.184 -1.056 1.00 0.00 O ATOM 826 OE2 GLU A 404 9.710 -3.571 -1.995 1.00 0.00 O ATOM 0 H GLU A 404 5.906 -1.024 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 404 5.936 -3.276 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 404 5.861 -2.961 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 404 6.065 -4.524 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 404 8.062 -3.636 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 404 7.865 -2.089 -3.295 1.00 0.00 H new ATOM 833 N ALA A 405 3.187 -3.074 -3.271 1.00 0.00 N ATOM 834 CA ALA A 405 1.798 -3.608 -3.189 1.00 0.00 C ATOM 835 C ALA A 405 1.047 -3.267 -4.476 1.00 0.00 C ATOM 836 O ALA A 405 0.326 -4.078 -5.023 1.00 0.00 O ATOM 837 CB ALA A 405 1.076 -2.983 -1.994 1.00 0.00 C ATOM 0 H ALA A 405 3.409 -2.338 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 405 1.832 -4.690 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 405 0.061 -3.375 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 405 1.612 -3.227 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 405 1.040 -1.900 -2.116 1.00 0.00 H new ATOM 843 N LEU A 406 1.217 -2.072 -4.967 1.00 0.00 N ATOM 844 CA LEU A 406 0.521 -1.676 -6.223 1.00 0.00 C ATOM 845 C LEU A 406 1.117 -2.461 -7.392 1.00 0.00 C ATOM 846 O LEU A 406 0.416 -2.917 -8.273 1.00 0.00 O ATOM 847 CB LEU A 406 0.717 -0.178 -6.465 1.00 0.00 C ATOM 848 CG LEU A 406 -0.009 0.230 -7.747 1.00 0.00 C ATOM 849 CD1 LEU A 406 -1.464 0.575 -7.424 1.00 0.00 C ATOM 850 CD2 LEU A 406 0.681 1.451 -8.358 1.00 0.00 C ATOM 0 H LEU A 406 1.808 -1.351 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 406 -0.544 -1.892 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 406 0.332 0.391 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 406 1.779 0.052 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 406 0.018 -0.596 -8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -1.981 0.866 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -1.957 -0.295 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -1.493 1.401 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 406 0.163 1.742 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 406 0.655 2.277 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 406 1.717 1.205 -8.590 1.00 0.00 H new ATOM 862 N ARG A 407 2.411 -2.627 -7.400 1.00 0.00 N ATOM 863 CA ARG A 407 3.064 -3.386 -8.501 1.00 0.00 C ATOM 864 C ARG A 407 2.737 -4.872 -8.351 1.00 0.00 C ATOM 865 O ARG A 407 2.314 -5.524 -9.285 1.00 0.00 O ATOM 866 CB ARG A 407 4.578 -3.184 -8.418 1.00 0.00 C ATOM 867 CG ARG A 407 5.251 -3.826 -9.632 1.00 0.00 C ATOM 868 CD ARG A 407 6.755 -3.549 -9.584 1.00 0.00 C ATOM 869 NE ARG A 407 7.360 -4.303 -8.450 1.00 0.00 N ATOM 870 CZ ARG A 407 7.810 -5.514 -8.638 1.00 0.00 C ATOM 871 NH1 ARG A 407 7.109 -6.540 -8.241 1.00 0.00 N ATOM 872 NH2 ARG A 407 8.961 -5.698 -9.225 1.00 0.00 N ATOM 0 H ARG A 407 3.046 -2.267 -6.687 1.00 0.00 H new ATOM 0 HA ARG A 407 2.700 -3.030 -9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 407 4.811 -2.120 -8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 407 4.964 -3.627 -7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 407 5.068 -4.900 -9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 407 4.825 -3.425 -10.552 1.00 0.00 H new ATOM 0 HD2 ARG A 407 7.221 -3.847 -10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 407 6.936 -2.481 -9.463 1.00 0.00 H new ATOM 0 HE ARG A 407 7.423 -3.873 -7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 407 6.209 -6.396 -7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 407 7.461 -7.486 -8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 407 9.509 -4.896 -9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 407 9.313 -6.644 -9.372 1.00 0.00 H new ATOM 886 N GLU A 408 2.931 -5.409 -7.178 1.00 0.00 N ATOM 887 CA GLU A 408 2.635 -6.851 -6.955 1.00 0.00 C ATOM 888 C GLU A 408 1.225 -7.170 -7.459 1.00 0.00 C ATOM 889 O GLU A 408 1.015 -8.120 -8.186 1.00 0.00 O ATOM 890 CB GLU A 408 2.720 -7.158 -5.458 1.00 0.00 C ATOM 891 CG GLU A 408 2.584 -8.664 -5.236 1.00 0.00 C ATOM 892 CD GLU A 408 2.627 -8.963 -3.736 1.00 0.00 C ATOM 893 OE1 GLU A 408 2.694 -8.019 -2.965 1.00 0.00 O ATOM 894 OE2 GLU A 408 2.593 -10.131 -3.383 1.00 0.00 O ATOM 0 H GLU A 408 3.283 -4.909 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 408 3.359 -7.459 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 408 3.670 -6.805 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 408 1.932 -6.628 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 408 1.647 -9.022 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 408 3.389 -9.192 -5.746 1.00 0.00 H new ATOM 901 N ARG A 409 0.257 -6.385 -7.076 1.00 0.00 N ATOM 902 CA ARG A 409 -1.138 -6.644 -7.528 1.00 0.00 C ATOM 903 C ARG A 409 -1.195 -6.641 -9.059 1.00 0.00 C ATOM 904 O ARG A 409 -1.874 -7.446 -9.665 1.00 0.00 O ATOM 905 CB ARG A 409 -2.061 -5.554 -6.978 1.00 0.00 C ATOM 906 CG ARG A 409 -2.178 -5.707 -5.459 1.00 0.00 C ATOM 907 CD ARG A 409 -3.162 -4.671 -4.913 1.00 0.00 C ATOM 908 NE ARG A 409 -3.057 -4.621 -3.427 1.00 0.00 N ATOM 909 CZ ARG A 409 -3.357 -5.674 -2.716 1.00 0.00 C ATOM 910 NH1 ARG A 409 -4.016 -6.661 -3.258 1.00 0.00 N ATOM 911 NH2 ARG A 409 -2.996 -5.739 -1.463 1.00 0.00 N ATOM 0 H ARG A 409 0.372 -5.574 -6.468 1.00 0.00 H new ATOM 0 HA ARG A 409 -1.463 -7.617 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 409 -1.667 -4.569 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 409 -3.046 -5.629 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 409 -2.517 -6.712 -5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 409 -1.201 -5.576 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 409 -2.946 -3.690 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 409 -4.179 -4.929 -5.208 1.00 0.00 H new ATOM 0 HE ARG A 409 -2.751 -3.764 -2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 409 -4.297 -6.610 -4.237 1.00 0.00 H new ATOM 0 HH12 ARG A 409 -4.250 -7.484 -2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 409 -2.480 -4.967 -1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 409 -3.230 -6.561 -0.907 1.00 0.00 H new ATOM 925 N ALA A 410 -0.489 -5.742 -9.691 1.00 0.00 N ATOM 926 CA ALA A 410 -0.508 -5.693 -11.181 1.00 0.00 C ATOM 927 C ALA A 410 -0.395 -7.111 -11.747 1.00 0.00 C ATOM 928 O ALA A 410 -1.338 -7.645 -12.297 1.00 0.00 O ATOM 929 CB ALA A 410 0.670 -4.852 -11.676 1.00 0.00 C ATOM 0 H ALA A 410 0.099 -5.041 -9.241 1.00 0.00 H new ATOM 0 HA ALA A 410 -1.444 -5.246 -11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 410 0.658 -4.815 -12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 410 0.588 -3.841 -11.277 1.00 0.00 H new ATOM 0 HB3 ALA A 410 1.604 -5.300 -11.338 1.00 0.00 H new ATOM 935 N LYS A 411 0.748 -7.727 -11.615 1.00 0.00 N ATOM 936 CA LYS A 411 0.915 -9.110 -12.145 1.00 0.00 C ATOM 937 C LYS A 411 -0.243 -9.981 -11.660 1.00 0.00 C ATOM 938 O LYS A 411 -0.931 -10.606 -12.441 1.00 0.00 O ATOM 939 CB LYS A 411 2.235 -9.696 -11.644 1.00 0.00 C ATOM 940 CG LYS A 411 3.389 -9.133 -12.477 1.00 0.00 C ATOM 941 CD LYS A 411 4.131 -10.282 -13.162 1.00 0.00 C ATOM 942 CE LYS A 411 5.305 -9.720 -13.964 1.00 0.00 C ATOM 943 NZ LYS A 411 6.474 -9.524 -13.061 1.00 0.00 N ATOM 0 H LYS A 411 1.573 -7.333 -11.163 1.00 0.00 H new ATOM 0 HA LYS A 411 0.922 -9.082 -13.235 1.00 0.00 H new ATOM 0 HB2 LYS A 411 2.378 -9.451 -10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 411 2.215 -10.783 -11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 411 3.007 -8.436 -13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 411 4.073 -8.573 -11.839 1.00 0.00 H new ATOM 0 HD2 LYS A 411 4.491 -10.992 -12.418 1.00 0.00 H new ATOM 0 HD3 LYS A 411 3.454 -10.826 -13.820 1.00 0.00 H new ATOM 0 HE2 LYS A 411 5.567 -10.402 -14.773 1.00 0.00 H new ATOM 0 HE3 LYS A 411 5.025 -8.773 -14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 7.273 -9.142 -13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 6.220 -8.857 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 6.746 -10.436 -12.642 1.00 0.00 H new ATOM 957 N ASN A 412 -0.463 -10.026 -10.375 1.00 0.00 N ATOM 958 CA ASN A 412 -1.577 -10.854 -9.838 1.00 0.00 C ATOM 959 C ASN A 412 -2.802 -10.686 -10.736 1.00 0.00 C ATOM 960 O ASN A 412 -3.400 -11.648 -11.175 1.00 0.00 O ATOM 961 CB ASN A 412 -1.912 -10.395 -8.417 1.00 0.00 C ATOM 962 CG ASN A 412 -0.715 -10.665 -7.502 1.00 0.00 C ATOM 963 OD1 ASN A 412 0.176 -11.414 -7.852 1.00 0.00 O ATOM 964 ND2 ASN A 412 -0.656 -10.084 -6.336 1.00 0.00 N ATOM 0 H ASN A 412 0.082 -9.524 -9.674 1.00 0.00 H new ATOM 0 HA ASN A 412 -1.282 -11.903 -9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 412 -2.154 -9.332 -8.414 1.00 0.00 H new ATOM 0 HB3 ASN A 412 -2.792 -10.924 -8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 412 0.137 -10.258 -5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 412 -1.403 -9.455 -6.041 1.00 0.00 H new ATOM 971 N ALA A 413 -3.172 -9.470 -11.026 1.00 0.00 N ATOM 972 CA ALA A 413 -4.345 -9.246 -11.910 1.00 0.00 C ATOM 973 C ALA A 413 -4.013 -9.774 -13.304 1.00 0.00 C ATOM 974 O ALA A 413 -4.865 -10.269 -14.016 1.00 0.00 O ATOM 975 CB ALA A 413 -4.650 -7.750 -11.989 1.00 0.00 C ATOM 0 H ALA A 413 -2.713 -8.624 -10.689 1.00 0.00 H new ATOM 0 HA ALA A 413 -5.216 -9.766 -11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 413 -5.511 -7.588 -12.638 1.00 0.00 H new ATOM 0 HB2 ALA A 413 -4.871 -7.371 -10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 413 -3.786 -7.223 -12.394 1.00 0.00 H new ATOM 981 N LEU A 414 -2.771 -9.678 -13.692 1.00 0.00 N ATOM 982 CA LEU A 414 -2.362 -10.178 -15.032 1.00 0.00 C ATOM 983 C LEU A 414 -2.543 -11.696 -15.081 1.00 0.00 C ATOM 984 O LEU A 414 -3.114 -12.232 -16.010 1.00 0.00 O ATOM 985 CB LEU A 414 -0.894 -9.829 -15.275 1.00 0.00 C ATOM 986 CG LEU A 414 -0.732 -8.308 -15.332 1.00 0.00 C ATOM 987 CD1 LEU A 414 0.707 -7.966 -15.724 1.00 0.00 C ATOM 988 CD2 LEU A 414 -1.695 -7.729 -16.371 1.00 0.00 C ATOM 0 H LEU A 414 -2.019 -9.272 -13.135 1.00 0.00 H new ATOM 0 HA LEU A 414 -2.978 -9.714 -15.802 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -0.275 -10.241 -14.478 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.553 -10.277 -16.208 1.00 0.00 H new ATOM 0 HG LEU A 414 -0.956 -7.881 -14.354 1.00 0.00 H new ATOM 0 HD11 LEU A 414 0.825 -6.883 -15.765 1.00 0.00 H new ATOM 0 HD12 LEU A 414 1.393 -8.378 -14.984 1.00 0.00 H new ATOM 0 HD13 LEU A 414 0.929 -8.393 -16.702 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.579 -6.646 -16.411 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.473 -8.154 -17.350 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -2.720 -7.974 -16.093 1.00 0.00 H new ATOM 1000 N ALA A 415 -2.069 -12.396 -14.085 1.00 0.00 N ATOM 1001 CA ALA A 415 -2.227 -13.878 -14.083 1.00 0.00 C ATOM 1002 C ALA A 415 -3.709 -14.222 -13.945 1.00 0.00 C ATOM 1003 O ALA A 415 -4.181 -15.206 -14.480 1.00 0.00 O ATOM 1004 CB ALA A 415 -1.451 -14.474 -12.905 1.00 0.00 C ATOM 0 H ALA A 415 -1.582 -12.008 -13.277 1.00 0.00 H new ATOM 0 HA ALA A 415 -1.839 -14.290 -15.014 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -1.567 -15.558 -12.904 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.395 -14.222 -13.000 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -1.838 -14.067 -11.971 1.00 0.00 H new ATOM 1010 N THR A 416 -4.449 -13.413 -13.236 1.00 0.00 N ATOM 1011 CA THR A 416 -5.903 -13.687 -13.069 1.00 0.00 C ATOM 1012 C THR A 416 -6.559 -13.773 -14.447 1.00 0.00 C ATOM 1013 O THR A 416 -7.319 -14.678 -14.729 1.00 0.00 O ATOM 1014 CB THR A 416 -6.546 -12.554 -12.265 1.00 0.00 C ATOM 1015 OG1 THR A 416 -5.866 -12.412 -11.026 1.00 0.00 O ATOM 1016 CG2 THR A 416 -8.019 -12.878 -12.008 1.00 0.00 C ATOM 0 H THR A 416 -4.108 -12.574 -12.766 1.00 0.00 H new ATOM 0 HA THR A 416 -6.041 -14.629 -12.539 1.00 0.00 H new ATOM 0 HB THR A 416 -6.476 -11.623 -12.828 1.00 0.00 H new ATOM 0 HG1 THR A 416 -5.101 -11.811 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 416 -8.475 -12.070 -11.435 1.00 0.00 H new ATOM 0 HG22 THR A 416 -8.539 -12.987 -12.960 1.00 0.00 H new ATOM 0 HG23 THR A 416 -8.094 -13.809 -11.445 1.00 0.00 H new