USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 597 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 Single : A 398 GLN :FLIP amide:sc= 0.139 F(o=-0.8,f=0.14) USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=0) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN :FLIP amide:sc= -0.111 F(o=-0.96,f=-0.11) USER MOD Single : A 423 GLN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -148:sc= -0.87 (180deg=-1.81!) USER MOD Single : A 430 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 433 SER OG : rot 38:sc= 0.493 USER MOD Single : A 435 LYS NZ :NH3+ -167:sc= -0.0572 (180deg=-0.282) USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 TYR OH : rot -78:sc= 1.18 USER MOD Single : A 455 ASN : amide:sc= -0.786 K(o=-0.79,f=-4.6!) USER MOD Single : A 458 SER OG : rot 92:sc= 0.399 USER MOD Single : A 460 GLN : amide:sc= -0.816 K(o=-0.82,f=-2.8!) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 466 MET CE :methyl -154:sc=-0.00449 (180deg=-0.572) USER MOD Single : A 467 ASN : amide:sc= -0.0326 K(o=-0.033,f=-1.1!) USER MOD Single : A 470 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.096) USER MOD Single : A 479 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.920 -8.147 7.586 1.00 30.20 N ATOM 57 CA GLN A 398 -2.296 -7.786 6.303 1.00 22.23 C ATOM 58 C GLN A 398 -1.160 -8.759 5.967 1.00 2.24 C ATOM 59 O GLN A 398 -0.335 -9.069 6.836 1.00 2.23 O ATOM 60 CB GLN A 398 -1.707 -6.336 6.325 1.00 0.31 C ATOM 61 CG GLN A 398 -2.261 -5.344 7.391 1.00 44.32 C ATOM 62 CD GLN A 398 -3.751 -4.982 7.229 1.00 4.32 C ATOM 63 OE1 GLN A 398 -4.042 -3.900 6.510 1.00 52.11 O flip ATOM 64 NE2 GLN A 398 -4.626 -5.655 7.766 1.00 52.14 N flip ATOM 0 HA GLN A 398 -3.081 -7.839 5.548 1.00 22.23 H new ATOM 0 HB2 GLN A 398 -0.629 -6.414 6.468 1.00 0.31 H new ATOM 0 HB3 GLN A 398 -1.867 -5.894 5.341 1.00 0.31 H new ATOM 0 HG2 GLN A 398 -2.113 -5.777 8.380 1.00 44.32 H new ATOM 0 HG3 GLN A 398 -1.673 -4.427 7.353 1.00 44.32 H new ATOM 0 HE21 GLN A 398 -4.373 -6.479 8.311 1.00 52.14 H new ATOM 0 HE22 GLN A 398 -5.606 -5.390 7.667 1.00 52.14 H new ATOM 73 N LYS A 399 -1.111 -9.240 4.708 1.00 74.35 N ATOM 74 CA LYS A 399 -0.066 -10.201 4.338 1.00 21.44 C ATOM 75 C LYS A 399 1.162 -9.403 3.864 1.00 14.24 C ATOM 76 O LYS A 399 1.128 -8.781 2.794 1.00 31.25 O ATOM 77 CB LYS A 399 -0.508 -11.229 3.220 1.00 31.55 C ATOM 78 CG LYS A 399 -1.794 -12.098 3.465 1.00 73.22 C ATOM 79 CD LYS A 399 -1.544 -13.620 3.229 1.00 2.34 C ATOM 80 CE LYS A 399 -0.527 -14.236 4.216 1.00 54.51 C ATOM 81 NZ LYS A 399 -0.054 -15.575 3.755 1.00 62.22 N ATOM 0 H LYS A 399 -1.758 -8.988 3.960 1.00 74.35 H new ATOM 0 HA LYS A 399 0.158 -10.805 5.217 1.00 21.44 H new ATOM 0 HB2 LYS A 399 -0.657 -10.670 2.296 1.00 31.55 H new ATOM 0 HB3 LYS A 399 0.325 -11.911 3.049 1.00 31.55 H new ATOM 0 HG2 LYS A 399 -2.142 -11.945 4.486 1.00 73.22 H new ATOM 0 HG3 LYS A 399 -2.590 -11.757 2.803 1.00 73.22 H new ATOM 0 HD2 LYS A 399 -2.491 -14.153 3.314 1.00 2.34 H new ATOM 0 HD3 LYS A 399 -1.186 -13.768 2.210 1.00 2.34 H new ATOM 0 HE2 LYS A 399 0.326 -13.566 4.325 1.00 54.51 H new ATOM 0 HE3 LYS A 399 -0.986 -14.331 5.200 1.00 54.51 H new ATOM 0 HZ1 LYS A 399 0.627 -15.958 4.442 1.00 62.22 H new ATOM 0 HZ2 LYS A 399 -0.865 -16.221 3.675 1.00 62.22 H new ATOM 0 HZ3 LYS A 399 0.406 -15.480 2.827 1.00 62.22 H new ATOM 95 N GLU A 400 2.236 -9.406 4.679 1.00 25.41 N ATOM 96 CA GLU A 400 3.531 -8.830 4.256 1.00 15.02 C ATOM 97 C GLU A 400 4.404 -9.941 3.631 1.00 53.21 C ATOM 98 O GLU A 400 4.263 -11.093 4.075 1.00 10.02 O ATOM 99 CB GLU A 400 4.239 -8.078 5.457 1.00 55.43 C ATOM 100 CG GLU A 400 4.343 -8.844 6.802 1.00 24.52 C ATOM 101 CD GLU A 400 5.071 -8.039 7.863 1.00 75.03 C ATOM 102 OE1 GLU A 400 4.474 -7.075 8.400 1.00 1.53 O ATOM 103 OE2 GLU A 400 6.240 -8.368 8.171 1.00 21.25 O ATOM 0 H GLU A 400 2.235 -9.795 5.622 1.00 25.41 H new ATOM 0 HA GLU A 400 3.368 -8.071 3.490 1.00 15.02 H new ATOM 0 HB2 GLU A 400 5.247 -7.809 5.141 1.00 55.43 H new ATOM 0 HB3 GLU A 400 3.702 -7.147 5.638 1.00 55.43 H new ATOM 0 HG2 GLU A 400 3.342 -9.090 7.157 1.00 24.52 H new ATOM 0 HG3 GLU A 400 4.865 -9.788 6.642 1.00 24.52 H new ATOM 110 N GLY A 401 5.226 -9.618 2.545 1.00 10.24 N ATOM 111 CA GLY A 401 6.186 -10.551 1.956 1.00 62.11 C ATOM 112 C GLY A 401 6.889 -11.539 2.924 1.00 20.44 C ATOM 113 O GLY A 401 7.353 -11.112 3.984 1.00 3.14 O ATOM 0 H GLY A 401 5.211 -8.706 2.089 1.00 10.24 H new ATOM 0 HA2 GLY A 401 5.669 -11.133 1.193 1.00 62.11 H new ATOM 0 HA3 GLY A 401 6.955 -9.970 1.447 1.00 62.11 H new ATOM 117 N PRO A 402 6.980 -12.873 2.586 1.00 70.34 N ATOM 118 CA PRO A 402 7.566 -13.889 3.453 1.00 13.14 C ATOM 119 C PRO A 402 9.087 -13.914 3.333 1.00 15.34 C ATOM 120 O PRO A 402 9.671 -13.036 2.681 1.00 53.24 O ATOM 121 CB PRO A 402 6.934 -15.176 2.922 1.00 11.44 C ATOM 122 CG PRO A 402 6.947 -14.961 1.462 1.00 11.41 C ATOM 123 CD PRO A 402 6.559 -13.509 1.299 1.00 55.34 C ATOM 0 HA PRO A 402 7.377 -13.721 4.513 1.00 13.14 H new ATOM 0 HB2 PRO A 402 7.508 -16.057 3.207 1.00 11.44 H new ATOM 0 HB3 PRO A 402 5.922 -15.318 3.302 1.00 11.44 H new ATOM 0 HG2 PRO A 402 7.931 -15.160 1.039 1.00 11.41 H new ATOM 0 HG3 PRO A 402 6.243 -15.621 0.956 1.00 11.41 H new ATOM 0 HD2 PRO A 402 7.063 -13.055 0.446 1.00 55.34 H new ATOM 0 HD3 PRO A 402 5.488 -13.399 1.132 1.00 55.34 H new ATOM 131 N GLU A 403 9.691 -14.866 4.053 1.00 33.02 N ATOM 132 CA GLU A 403 11.127 -15.213 3.963 1.00 24.13 C ATOM 133 C GLU A 403 11.806 -14.958 2.543 1.00 14.23 C ATOM 134 O GLU A 403 11.521 -15.700 1.605 1.00 53.21 O ATOM 135 CB GLU A 403 11.069 -16.740 4.259 1.00 31.33 C ATOM 136 CG GLU A 403 11.434 -17.043 5.688 1.00 41.35 C ATOM 137 CD GLU A 403 10.887 -18.361 6.201 1.00 74.12 C ATOM 138 OE1 GLU A 403 11.571 -19.393 6.036 1.00 53.34 O ATOM 139 OE2 GLU A 403 9.789 -18.364 6.800 1.00 53.40 O ATOM 0 H GLU A 403 9.188 -15.435 4.734 1.00 33.02 H new ATOM 0 HA GLU A 403 11.734 -14.601 4.630 1.00 24.13 H new ATOM 0 HB2 GLU A 403 10.066 -17.113 4.052 1.00 31.33 H new ATOM 0 HB3 GLU A 403 11.749 -17.267 3.590 1.00 31.33 H new ATOM 0 HG2 GLU A 403 12.520 -17.052 5.780 1.00 41.35 H new ATOM 0 HG3 GLU A 403 11.067 -16.237 6.324 1.00 41.35 H new ATOM 146 N GLY A 404 12.663 -13.870 2.392 1.00 34.20 N ATOM 147 CA GLY A 404 13.581 -13.738 1.265 1.00 52.35 C ATOM 148 C GLY A 404 13.248 -12.612 0.297 1.00 74.32 C ATOM 149 O GLY A 404 14.167 -12.047 -0.301 1.00 73.20 O ATOM 0 H GLY A 404 12.708 -13.095 3.054 1.00 34.20 H new ATOM 0 HA2 GLY A 404 14.588 -13.580 1.652 1.00 52.35 H new ATOM 0 HA3 GLY A 404 13.595 -14.679 0.715 1.00 52.35 H new ATOM 153 N ALA A 405 11.965 -12.280 0.099 1.00 54.24 N ATOM 154 CA ALA A 405 11.657 -11.073 -0.658 1.00 44.13 C ATOM 155 C ALA A 405 10.742 -10.167 0.117 1.00 52.33 C ATOM 156 O ALA A 405 9.668 -10.572 0.560 1.00 23.41 O ATOM 157 CB ALA A 405 11.110 -11.372 -2.055 1.00 73.21 C ATOM 0 H ALA A 405 11.160 -12.807 0.438 1.00 54.24 H new ATOM 0 HA ALA A 405 12.600 -10.548 -0.810 1.00 44.13 H new ATOM 0 HB1 ALA A 405 10.899 -10.435 -2.571 1.00 73.21 H new ATOM 0 HB2 ALA A 405 11.848 -11.940 -2.621 1.00 73.21 H new ATOM 0 HB3 ALA A 405 10.192 -11.954 -1.970 1.00 73.21 H new ATOM 163 N ASN A 406 11.161 -8.924 0.260 1.00 51.34 N ATOM 164 CA ASN A 406 10.339 -7.915 0.923 1.00 54.53 C ATOM 165 C ASN A 406 10.274 -6.656 0.022 1.00 43.12 C ATOM 166 O ASN A 406 11.342 -6.096 -0.246 1.00 71.24 O ATOM 167 CB ASN A 406 10.958 -7.624 2.328 1.00 11.23 C ATOM 168 CG ASN A 406 11.068 -8.849 3.229 1.00 32.05 C ATOM 169 OD1 ASN A 406 12.061 -9.581 3.198 1.00 65.34 O ATOM 170 ND2 ASN A 406 10.071 -9.028 4.071 1.00 45.42 N ATOM 0 H ASN A 406 12.064 -8.584 -0.072 1.00 51.34 H new ATOM 0 HA ASN A 406 9.316 -8.259 1.075 1.00 54.53 H new ATOM 0 HB2 ASN A 406 11.951 -7.196 2.193 1.00 11.23 H new ATOM 0 HB3 ASN A 406 10.352 -6.871 2.831 1.00 11.23 H new ATOM 0 HD21 ASN A 406 10.098 -9.800 4.737 1.00 45.42 H new ATOM 0 HD22 ASN A 406 9.272 -8.395 4.057 1.00 45.42 H new ATOM 177 N LEU A 407 9.081 -6.172 -0.496 1.00 64.24 N ATOM 178 CA LEU A 407 9.188 -5.176 -1.582 1.00 73.31 C ATOM 179 C LEU A 407 8.501 -3.902 -1.105 1.00 51.14 C ATOM 180 O LEU A 407 7.279 -3.925 -0.962 1.00 70.43 O ATOM 181 CB LEU A 407 8.561 -5.692 -2.975 1.00 45.55 C ATOM 182 CG LEU A 407 9.241 -6.847 -3.790 1.00 2.13 C ATOM 183 CD1 LEU A 407 9.139 -8.219 -3.139 1.00 75.24 C ATOM 184 CD2 LEU A 407 8.619 -6.922 -5.172 1.00 23.02 C ATOM 0 H LEU A 407 8.140 -6.434 -0.203 1.00 64.24 H new ATOM 0 HA LEU A 407 10.241 -4.993 -1.795 1.00 73.31 H new ATOM 0 HB2 LEU A 407 7.539 -6.007 -2.767 1.00 45.55 H new ATOM 0 HB3 LEU A 407 8.500 -4.828 -3.637 1.00 45.55 H new ATOM 0 HG LEU A 407 10.301 -6.597 -3.832 1.00 2.13 H new ATOM 0 HD11 LEU A 407 9.635 -8.958 -3.768 1.00 75.24 H new ATOM 0 HD12 LEU A 407 9.620 -8.194 -2.161 1.00 75.24 H new ATOM 0 HD13 LEU A 407 8.089 -8.489 -3.021 1.00 75.24 H new ATOM 0 HD21 LEU A 407 9.090 -7.724 -5.740 1.00 23.02 H new ATOM 0 HD22 LEU A 407 7.551 -7.121 -5.080 1.00 23.02 H new ATOM 0 HD23 LEU A 407 8.768 -5.975 -5.690 1.00 23.02 H new ATOM 196 N PHE A 408 9.246 -2.772 -0.819 1.00 73.03 N ATOM 197 CA PHE A 408 8.520 -1.538 -0.551 1.00 41.54 C ATOM 198 C PHE A 408 8.521 -0.596 -1.794 1.00 63.35 C ATOM 199 O PHE A 408 9.593 -0.223 -2.277 1.00 4.34 O ATOM 200 CB PHE A 408 9.018 -0.828 0.745 1.00 40.30 C ATOM 201 CG PHE A 408 10.445 -0.281 0.784 1.00 4.14 C ATOM 202 CD1 PHE A 408 11.571 -1.113 0.798 1.00 35.43 C ATOM 203 CD2 PHE A 408 10.647 1.089 0.843 1.00 44.02 C ATOM 204 CE1 PHE A 408 12.843 -0.574 0.863 1.00 21.34 C ATOM 205 CE2 PHE A 408 11.913 1.619 0.913 1.00 73.44 C ATOM 206 CZ PHE A 408 13.009 0.794 0.922 1.00 72.05 C ATOM 0 H PHE A 408 10.264 -2.718 -0.777 1.00 73.03 H new ATOM 0 HA PHE A 408 7.481 -1.807 -0.361 1.00 41.54 H new ATOM 0 HB2 PHE A 408 8.341 0.002 0.947 1.00 40.30 H new ATOM 0 HB3 PHE A 408 8.913 -1.534 1.569 1.00 40.30 H new ATOM 0 HD1 PHE A 408 11.445 -2.185 0.758 1.00 35.43 H new ATOM 0 HD2 PHE A 408 9.794 1.752 0.834 1.00 44.02 H new ATOM 0 HE1 PHE A 408 13.706 -1.224 0.868 1.00 21.34 H new ATOM 0 HE2 PHE A 408 12.046 2.690 0.961 1.00 73.44 H new ATOM 0 HZ PHE A 408 14.002 1.216 0.975 1.00 72.05 H new ATOM 216 N ILE A 409 7.314 -0.258 -2.345 1.00 53.24 N ATOM 217 CA ILE A 409 7.195 0.673 -3.510 1.00 22.41 C ATOM 218 C ILE A 409 6.562 1.976 -3.039 1.00 25.25 C ATOM 219 O ILE A 409 5.355 2.066 -2.787 1.00 72.14 O ATOM 220 CB ILE A 409 6.409 0.039 -4.750 1.00 54.33 C ATOM 221 CG1 ILE A 409 5.711 -1.290 -4.376 1.00 22.11 C ATOM 222 CG2 ILE A 409 7.342 -0.209 -5.933 1.00 3.32 C ATOM 223 CD1 ILE A 409 4.202 -1.214 -4.298 1.00 23.34 C ATOM 0 H ILE A 409 6.420 -0.613 -2.004 1.00 53.24 H new ATOM 0 HA ILE A 409 8.198 0.871 -3.889 1.00 22.41 H new ATOM 0 HB ILE A 409 5.649 0.768 -5.033 1.00 54.33 H new ATOM 0 HG12 ILE A 409 5.985 -2.047 -5.110 1.00 22.11 H new ATOM 0 HG13 ILE A 409 6.094 -1.627 -3.413 1.00 22.11 H new ATOM 0 HG21 ILE A 409 6.776 -0.640 -6.759 1.00 3.32 H new ATOM 0 HG22 ILE A 409 7.785 0.735 -6.251 1.00 3.32 H new ATOM 0 HG23 ILE A 409 8.132 -0.899 -5.635 1.00 3.32 H new ATOM 0 HD11 ILE A 409 3.802 -2.192 -4.030 1.00 23.34 H new ATOM 0 HD12 ILE A 409 3.913 -0.484 -3.542 1.00 23.34 H new ATOM 0 HD13 ILE A 409 3.802 -0.911 -5.266 1.00 23.34 H new ATOM 235 N TYR A 410 7.435 2.986 -2.923 1.00 51.44 N ATOM 236 CA TYR A 410 7.049 4.308 -2.417 1.00 41.35 C ATOM 237 C TYR A 410 7.311 5.375 -3.520 1.00 75.13 C ATOM 238 O TYR A 410 8.073 5.074 -4.454 1.00 55.31 O ATOM 239 CB TYR A 410 7.810 4.638 -1.061 1.00 55.31 C ATOM 240 CG TYR A 410 9.291 5.103 -1.125 1.00 60.42 C ATOM 241 CD1 TYR A 410 9.612 6.440 -1.334 1.00 13.00 C ATOM 242 CD2 TYR A 410 10.360 4.222 -0.941 1.00 23.33 C ATOM 243 CE1 TYR A 410 10.919 6.874 -1.376 1.00 3.44 C ATOM 244 CE2 TYR A 410 11.675 4.664 -0.979 1.00 62.31 C ATOM 245 CZ TYR A 410 11.941 5.985 -1.200 1.00 13.20 C ATOM 246 OH TYR A 410 13.240 6.421 -1.247 1.00 52.05 O ATOM 0 H TYR A 410 8.420 2.910 -3.175 1.00 51.44 H new ATOM 0 HA TYR A 410 5.985 4.317 -2.183 1.00 41.35 H new ATOM 0 HB2 TYR A 410 7.243 5.413 -0.545 1.00 55.31 H new ATOM 0 HB3 TYR A 410 7.771 3.746 -0.436 1.00 55.31 H new ATOM 0 HD1 TYR A 410 8.816 7.157 -1.467 1.00 13.00 H new ATOM 0 HD2 TYR A 410 10.159 3.176 -0.766 1.00 23.33 H new ATOM 0 HE1 TYR A 410 11.136 7.918 -1.548 1.00 3.44 H new ATOM 0 HE2 TYR A 410 12.486 3.965 -0.834 1.00 62.31 H new ATOM 0 HH TYR A 410 13.845 5.664 -1.102 1.00 52.05 H new ATOM 256 N HIS A 411 6.645 6.593 -3.460 1.00 70.52 N ATOM 257 CA HIS A 411 6.969 7.756 -4.335 1.00 64.23 C ATOM 258 C HIS A 411 6.436 7.558 -5.778 1.00 55.25 C ATOM 259 O HIS A 411 7.038 8.066 -6.733 1.00 33.42 O ATOM 260 CB HIS A 411 8.484 8.116 -4.348 1.00 54.54 C ATOM 261 CG HIS A 411 8.887 9.220 -3.373 1.00 44.52 C ATOM 262 ND1 HIS A 411 10.067 9.930 -3.520 1.00 13.23 N ATOM 263 CD2 HIS A 411 8.285 9.745 -2.247 1.00 13.33 C ATOM 264 CE1 HIS A 411 10.186 10.803 -2.533 1.00 4.45 C ATOM 265 NE2 HIS A 411 9.122 10.720 -1.762 1.00 1.33 N ATOM 0 H HIS A 411 5.883 6.776 -2.808 1.00 70.52 H new ATOM 0 HA HIS A 411 6.451 8.607 -3.892 1.00 64.23 H new ATOM 0 HB2 HIS A 411 9.058 7.219 -4.117 1.00 54.54 H new ATOM 0 HB3 HIS A 411 8.762 8.422 -5.357 1.00 54.54 H new ATOM 0 HD2 HIS A 411 7.336 9.446 -1.827 1.00 13.33 H new ATOM 0 HE1 HIS A 411 11.019 11.474 -2.384 1.00 4.45 H new ATOM 0 HE2 HIS A 411 8.947 11.290 -0.935 1.00 1.33 H new ATOM 274 N LEU A 412 5.300 6.825 -5.913 1.00 11.14 N ATOM 275 CA LEU A 412 4.617 6.615 -7.209 1.00 54.25 C ATOM 276 C LEU A 412 4.171 7.930 -7.906 1.00 43.52 C ATOM 277 O LEU A 412 3.762 8.896 -7.248 1.00 11.22 O ATOM 278 CB LEU A 412 3.396 5.648 -7.059 1.00 63.40 C ATOM 279 CG LEU A 412 2.422 5.924 -5.894 1.00 13.43 C ATOM 280 CD1 LEU A 412 1.315 6.934 -6.213 1.00 1.04 C ATOM 281 CD2 LEU A 412 1.778 4.642 -5.397 1.00 22.21 C ATOM 0 H LEU A 412 4.837 6.367 -5.128 1.00 11.14 H new ATOM 0 HA LEU A 412 5.366 6.157 -7.855 1.00 54.25 H new ATOM 0 HB2 LEU A 412 2.828 5.673 -7.989 1.00 63.40 H new ATOM 0 HB3 LEU A 412 3.779 4.634 -6.947 1.00 63.40 H new ATOM 0 HG LEU A 412 3.049 6.367 -5.120 1.00 13.43 H new ATOM 0 HD11 LEU A 412 0.679 7.065 -5.338 1.00 1.04 H new ATOM 0 HD12 LEU A 412 1.762 7.891 -6.484 1.00 1.04 H new ATOM 0 HD13 LEU A 412 0.715 6.566 -7.045 1.00 1.04 H new ATOM 0 HD21 LEU A 412 1.098 4.871 -4.577 1.00 22.21 H new ATOM 0 HD22 LEU A 412 1.222 4.175 -6.210 1.00 22.21 H new ATOM 0 HD23 LEU A 412 2.551 3.958 -5.047 1.00 22.21 H new ATOM 293 N PRO A 413 4.333 7.981 -9.254 1.00 13.22 N ATOM 294 CA PRO A 413 3.722 8.989 -10.165 1.00 31.54 C ATOM 295 C PRO A 413 2.185 8.900 -10.247 1.00 60.33 C ATOM 296 O PRO A 413 1.609 7.958 -9.750 1.00 60.34 O ATOM 297 CB PRO A 413 4.389 8.669 -11.503 1.00 22.02 C ATOM 298 CG PRO A 413 4.673 7.228 -11.393 1.00 52.50 C ATOM 299 CD PRO A 413 5.209 7.080 -10.029 1.00 15.24 C ATOM 0 HA PRO A 413 3.885 10.011 -9.822 1.00 31.54 H new ATOM 0 HB2 PRO A 413 3.732 8.888 -12.345 1.00 22.02 H new ATOM 0 HB3 PRO A 413 5.299 9.250 -11.650 1.00 22.02 H new ATOM 0 HG2 PRO A 413 3.773 6.631 -11.536 1.00 52.50 H new ATOM 0 HG3 PRO A 413 5.394 6.904 -12.144 1.00 52.50 H new ATOM 0 HD2 PRO A 413 5.149 6.050 -9.677 1.00 15.24 H new ATOM 0 HD3 PRO A 413 6.256 7.377 -9.968 1.00 15.24 H new ATOM 307 N GLN A 414 1.552 9.903 -10.873 1.00 53.32 N ATOM 308 CA GLN A 414 0.081 10.151 -10.783 1.00 11.01 C ATOM 309 C GLN A 414 -0.781 9.032 -11.479 1.00 51.50 C ATOM 310 O GLN A 414 -1.940 8.837 -11.094 1.00 23.02 O ATOM 311 CB GLN A 414 -0.209 11.610 -11.323 1.00 33.11 C ATOM 312 CG GLN A 414 -1.278 11.789 -12.445 1.00 30.22 C ATOM 313 CD GLN A 414 -1.222 13.184 -13.048 1.00 44.54 C ATOM 314 OE1 GLN A 414 -1.922 14.094 -12.603 1.00 23.34 O ATOM 315 NE2 GLN A 414 -0.365 13.372 -14.052 1.00 73.11 N ATOM 0 H GLN A 414 2.038 10.577 -11.464 1.00 53.32 H new ATOM 0 HA GLN A 414 -0.232 10.095 -9.741 1.00 11.01 H new ATOM 0 HB2 GLN A 414 -0.513 12.223 -10.475 1.00 33.11 H new ATOM 0 HB3 GLN A 414 0.731 12.020 -11.692 1.00 33.11 H new ATOM 0 HG2 GLN A 414 -1.115 11.047 -13.226 1.00 30.22 H new ATOM 0 HG3 GLN A 414 -2.272 11.608 -12.035 1.00 30.22 H new ATOM 0 HE21 GLN A 414 0.199 12.594 -14.394 1.00 73.11 H new ATOM 0 HE22 GLN A 414 -0.273 14.294 -14.478 1.00 73.11 H new ATOM 324 N GLU A 415 -0.232 8.299 -12.486 1.00 74.22 N ATOM 325 CA GLU A 415 -0.963 7.149 -13.094 1.00 44.15 C ATOM 326 C GLU A 415 -0.732 5.835 -12.299 1.00 51.14 C ATOM 327 O GLU A 415 -1.653 5.021 -12.198 1.00 15.42 O ATOM 328 CB GLU A 415 -0.598 6.925 -14.580 1.00 21.20 C ATOM 329 CG GLU A 415 0.055 8.129 -15.298 1.00 22.22 C ATOM 330 CD GLU A 415 0.357 7.869 -16.761 1.00 10.24 C ATOM 331 OE1 GLU A 415 -0.550 8.035 -17.600 1.00 73.43 O ATOM 332 OE2 GLU A 415 1.510 7.503 -17.073 1.00 14.31 O ATOM 0 H GLU A 415 0.689 8.476 -12.886 1.00 74.22 H new ATOM 0 HA GLU A 415 -2.019 7.415 -13.044 1.00 44.15 H new ATOM 0 HB2 GLU A 415 0.081 6.075 -14.644 1.00 21.20 H new ATOM 0 HB3 GLU A 415 -1.504 6.651 -15.120 1.00 21.20 H new ATOM 0 HG2 GLU A 415 -0.607 8.991 -15.219 1.00 22.22 H new ATOM 0 HG3 GLU A 415 0.981 8.390 -14.785 1.00 22.22 H new ATOM 339 N PHE A 416 0.502 5.615 -11.775 1.00 43.13 N ATOM 340 CA PHE A 416 0.732 4.618 -10.663 1.00 60.03 C ATOM 341 C PHE A 416 -0.038 5.058 -9.362 1.00 24.40 C ATOM 342 O PHE A 416 -0.443 6.213 -9.228 1.00 22.34 O ATOM 343 CB PHE A 416 2.261 4.255 -10.402 1.00 22.35 C ATOM 344 CG PHE A 416 2.936 3.194 -11.315 1.00 24.04 C ATOM 345 CD1 PHE A 416 2.480 2.852 -12.599 1.00 52.42 C ATOM 346 CD2 PHE A 416 4.065 2.515 -10.837 1.00 54.34 C ATOM 347 CE1 PHE A 416 3.129 1.864 -13.351 1.00 22.31 C ATOM 348 CE2 PHE A 416 4.702 1.546 -11.585 1.00 33.20 C ATOM 349 CZ PHE A 416 4.236 1.221 -12.838 1.00 31.31 C ATOM 0 H PHE A 416 1.345 6.097 -12.087 1.00 43.13 H new ATOM 0 HA PHE A 416 0.308 3.672 -11.001 1.00 60.03 H new ATOM 0 HB2 PHE A 416 2.839 5.176 -10.480 1.00 22.35 H new ATOM 0 HB3 PHE A 416 2.349 3.910 -9.372 1.00 22.35 H new ATOM 0 HD1 PHE A 416 1.619 3.357 -13.011 1.00 52.42 H new ATOM 0 HD2 PHE A 416 4.447 2.757 -9.856 1.00 54.34 H new ATOM 0 HE1 PHE A 416 2.762 1.606 -14.333 1.00 22.31 H new ATOM 0 HE2 PHE A 416 5.569 1.041 -11.186 1.00 33.20 H new ATOM 0 HZ PHE A 416 4.737 0.462 -13.420 1.00 31.31 H new ATOM 359 N GLY A 417 -0.279 4.137 -8.414 1.00 35.24 N ATOM 360 CA GLY A 417 -1.517 4.199 -7.605 1.00 4.44 C ATOM 361 C GLY A 417 -2.040 2.790 -7.254 1.00 30.23 C ATOM 362 O GLY A 417 -1.461 1.820 -7.732 1.00 71.24 O ATOM 0 H GLY A 417 0.344 3.361 -8.190 1.00 35.24 H new ATOM 0 HA2 GLY A 417 -1.325 4.755 -6.687 1.00 4.44 H new ATOM 0 HA3 GLY A 417 -2.284 4.746 -8.154 1.00 4.44 H new ATOM 366 N ASP A 418 -3.139 2.636 -6.459 1.00 61.14 N ATOM 367 CA ASP A 418 -3.339 1.344 -5.764 1.00 31.10 C ATOM 368 C ASP A 418 -3.894 0.184 -6.603 1.00 53.21 C ATOM 369 O ASP A 418 -3.313 -0.897 -6.516 1.00 50.41 O ATOM 370 CB ASP A 418 -4.105 1.426 -4.431 1.00 33.15 C ATOM 371 CG ASP A 418 -5.406 2.185 -4.514 1.00 31.31 C ATOM 372 OD1 ASP A 418 -5.371 3.432 -4.523 1.00 74.22 O ATOM 373 OD2 ASP A 418 -6.463 1.532 -4.549 1.00 41.42 O ATOM 0 H ASP A 418 -3.854 3.344 -6.294 1.00 61.14 H new ATOM 0 HA ASP A 418 -2.299 1.099 -5.548 1.00 31.10 H new ATOM 0 HB2 ASP A 418 -4.309 0.415 -4.078 1.00 33.15 H new ATOM 0 HB3 ASP A 418 -3.467 1.901 -3.686 1.00 33.15 H new ATOM 378 N GLN A 419 -4.983 0.339 -7.402 1.00 65.54 N ATOM 379 CA GLN A 419 -5.446 -0.790 -8.220 1.00 12.33 C ATOM 380 C GLN A 419 -4.483 -1.001 -9.443 1.00 60.03 C ATOM 381 O GLN A 419 -4.459 -2.080 -10.043 1.00 62.41 O ATOM 382 CB GLN A 419 -6.984 -0.671 -8.595 1.00 4.14 C ATOM 383 CG GLN A 419 -7.572 -1.898 -9.323 1.00 51.54 C ATOM 384 CD GLN A 419 -7.606 -1.765 -10.845 1.00 61.01 C ATOM 385 OE1 GLN A 419 -7.938 -0.578 -11.348 1.00 74.22 O flip ATOM 386 NE2 GLN A 419 -7.385 -2.741 -11.559 1.00 51.21 N flip ATOM 0 H GLN A 419 -5.528 1.197 -7.490 1.00 65.54 H new ATOM 0 HA GLN A 419 -5.394 -1.705 -7.629 1.00 12.33 H new ATOM 0 HB2 GLN A 419 -7.554 -0.501 -7.681 1.00 4.14 H new ATOM 0 HB3 GLN A 419 -7.123 0.208 -9.225 1.00 4.14 H new ATOM 0 HG2 GLN A 419 -6.986 -2.778 -9.059 1.00 51.54 H new ATOM 0 HG3 GLN A 419 -8.586 -2.070 -8.962 1.00 51.54 H new ATOM 0 HE21 GLN A 419 -7.133 -3.635 -11.137 1.00 51.21 H new ATOM 0 HE22 GLN A 419 -7.454 -2.657 -12.573 1.00 51.21 H new ATOM 395 N ASP A 420 -3.605 -0.002 -9.748 1.00 20.32 N ATOM 396 CA ASP A 420 -2.618 -0.158 -10.815 1.00 45.50 C ATOM 397 C ASP A 420 -1.310 -0.837 -10.302 1.00 34.35 C ATOM 398 O ASP A 420 -0.451 -1.260 -11.083 1.00 4.21 O ATOM 399 CB ASP A 420 -2.438 1.177 -11.579 1.00 24.24 C ATOM 400 CG ASP A 420 -1.125 1.319 -12.321 1.00 3.31 C ATOM 401 OD1 ASP A 420 -0.177 1.814 -11.718 1.00 71.44 O ATOM 402 OD2 ASP A 420 -1.045 0.893 -13.499 1.00 61.44 O ATOM 0 H ASP A 420 -3.574 0.898 -9.269 1.00 20.32 H new ATOM 0 HA ASP A 420 -2.987 -0.862 -11.561 1.00 45.50 H new ATOM 0 HB2 ASP A 420 -3.255 1.282 -12.293 1.00 24.24 H new ATOM 0 HB3 ASP A 420 -2.527 1.999 -10.869 1.00 24.24 H new ATOM 407 N ILE A 421 -1.176 -0.967 -8.983 1.00 14.23 N ATOM 408 CA ILE A 421 -0.051 -1.706 -8.376 1.00 35.22 C ATOM 409 C ILE A 421 -0.158 -3.227 -8.697 1.00 13.13 C ATOM 410 O ILE A 421 0.867 -3.868 -8.970 1.00 61.14 O ATOM 411 CB ILE A 421 0.083 -1.384 -6.828 1.00 13.11 C ATOM 412 CG1 ILE A 421 1.029 -0.161 -6.610 1.00 0.03 C ATOM 413 CG2 ILE A 421 0.559 -2.584 -5.976 1.00 61.24 C ATOM 414 CD1 ILE A 421 0.754 0.614 -5.328 1.00 50.41 C ATOM 0 H ILE A 421 -1.830 -0.572 -8.307 1.00 14.23 H new ATOM 0 HA ILE A 421 0.882 -1.365 -8.824 1.00 35.22 H new ATOM 0 HB ILE A 421 -0.923 -1.147 -6.482 1.00 13.11 H new ATOM 0 HG12 ILE A 421 2.061 -0.511 -6.597 1.00 0.03 H new ATOM 0 HG13 ILE A 421 0.933 0.516 -7.459 1.00 0.03 H new ATOM 0 HG21 ILE A 421 0.625 -2.284 -4.930 1.00 61.24 H new ATOM 0 HG22 ILE A 421 -0.152 -3.404 -6.074 1.00 61.24 H new ATOM 0 HG23 ILE A 421 1.539 -2.910 -6.323 1.00 61.24 H new ATOM 0 HD11 ILE A 421 1.452 1.447 -5.250 1.00 50.41 H new ATOM 0 HD12 ILE A 421 -0.267 0.996 -5.346 1.00 50.41 H new ATOM 0 HD13 ILE A 421 0.879 -0.046 -4.470 1.00 50.41 H new ATOM 426 N LEU A 422 -1.386 -3.795 -8.741 1.00 10.00 N ATOM 427 CA LEU A 422 -1.582 -5.146 -9.267 1.00 71.54 C ATOM 428 C LEU A 422 -1.214 -5.227 -10.809 1.00 24.13 C ATOM 429 O LEU A 422 -0.956 -6.323 -11.289 1.00 32.42 O ATOM 430 CB LEU A 422 -3.051 -5.699 -9.088 1.00 30.23 C ATOM 431 CG LEU A 422 -3.964 -5.192 -7.922 1.00 33.32 C ATOM 432 CD1 LEU A 422 -5.299 -5.932 -8.006 1.00 1.32 C ATOM 433 CD2 LEU A 422 -3.355 -5.402 -6.522 1.00 61.31 C ATOM 0 H LEU A 422 -2.239 -3.337 -8.421 1.00 10.00 H new ATOM 0 HA LEU A 422 -0.911 -5.767 -8.674 1.00 71.54 H new ATOM 0 HB2 LEU A 422 -3.582 -5.502 -10.019 1.00 30.23 H new ATOM 0 HB3 LEU A 422 -2.975 -6.782 -8.987 1.00 30.23 H new ATOM 0 HG LEU A 422 -4.084 -4.116 -8.046 1.00 33.32 H new ATOM 0 HD11 LEU A 422 -5.953 -5.595 -7.202 1.00 1.32 H new ATOM 0 HD12 LEU A 422 -5.770 -5.726 -8.967 1.00 1.32 H new ATOM 0 HD13 LEU A 422 -5.128 -7.004 -7.909 1.00 1.32 H new ATOM 0 HD21 LEU A 422 -4.044 -5.027 -5.765 1.00 61.31 H new ATOM 0 HD22 LEU A 422 -3.179 -6.465 -6.357 1.00 61.31 H new ATOM 0 HD23 LEU A 422 -2.410 -4.863 -6.452 1.00 61.31 H new ATOM 445 N GLN A 423 -1.141 -4.061 -11.572 1.00 42.42 N ATOM 446 CA GLN A 423 -1.304 -4.059 -13.042 1.00 73.41 C ATOM 447 C GLN A 423 0.028 -4.315 -13.771 1.00 53.51 C ATOM 448 O GLN A 423 0.110 -5.227 -14.600 1.00 22.14 O ATOM 449 CB GLN A 423 -1.958 -2.746 -13.578 1.00 45.13 C ATOM 450 CG GLN A 423 -3.514 -2.704 -13.486 1.00 40.51 C ATOM 451 CD GLN A 423 -4.160 -1.559 -14.268 1.00 60.35 C ATOM 452 OE1 GLN A 423 -5.268 -1.702 -14.759 1.00 33.14 O ATOM 453 NE2 GLN A 423 -3.503 -0.420 -14.370 1.00 65.25 N ATOM 0 H GLN A 423 -0.972 -3.138 -11.173 1.00 42.42 H new ATOM 0 HA GLN A 423 -1.985 -4.882 -13.259 1.00 73.41 H new ATOM 0 HB2 GLN A 423 -1.552 -1.901 -13.021 1.00 45.13 H new ATOM 0 HB3 GLN A 423 -1.666 -2.611 -14.619 1.00 45.13 H new ATOM 0 HG2 GLN A 423 -3.914 -3.650 -13.852 1.00 40.51 H new ATOM 0 HG3 GLN A 423 -3.802 -2.621 -12.438 1.00 40.51 H new ATOM 0 HE21 GLN A 423 -2.578 -0.326 -13.951 1.00 65.25 H new ATOM 0 HE22 GLN A 423 -3.920 0.366 -14.868 1.00 65.25 H new ATOM 462 N MET A 424 1.068 -3.496 -13.489 1.00 32.50 N ATOM 463 CA MET A 424 2.354 -3.620 -14.211 1.00 73.33 C ATOM 464 C MET A 424 3.327 -4.714 -13.674 1.00 75.31 C ATOM 465 O MET A 424 4.216 -5.129 -14.431 1.00 73.32 O ATOM 466 CB MET A 424 3.091 -2.261 -14.325 1.00 23.33 C ATOM 467 CG MET A 424 2.479 -1.280 -15.328 1.00 51.53 C ATOM 468 SD MET A 424 2.425 -1.947 -17.006 1.00 64.14 S ATOM 469 CE MET A 424 1.872 -0.509 -17.921 1.00 62.32 C ATOM 0 H MET A 424 1.044 -2.759 -12.784 1.00 32.50 H new ATOM 0 HA MET A 424 2.053 -3.958 -15.202 1.00 73.33 H new ATOM 0 HB2 MET A 424 3.109 -1.790 -13.342 1.00 23.33 H new ATOM 0 HB3 MET A 424 4.127 -2.448 -14.607 1.00 23.33 H new ATOM 0 HG2 MET A 424 1.468 -1.024 -15.010 1.00 51.53 H new ATOM 0 HG3 MET A 424 3.057 -0.356 -15.326 1.00 51.53 H new ATOM 0 HE1 MET A 424 1.789 -0.760 -18.978 1.00 62.32 H new ATOM 0 HE2 MET A 424 0.899 -0.191 -17.546 1.00 62.32 H new ATOM 0 HE3 MET A 424 2.591 0.300 -17.796 1.00 62.32 H new ATOM 479 N PHE A 425 3.173 -5.220 -12.416 1.00 64.12 N ATOM 480 CA PHE A 425 4.141 -6.189 -11.852 1.00 20.41 C ATOM 481 C PHE A 425 3.745 -7.666 -12.141 1.00 32.24 C ATOM 482 O PHE A 425 4.445 -8.588 -11.720 1.00 63.43 O ATOM 483 CB PHE A 425 4.347 -5.942 -10.335 1.00 21.33 C ATOM 484 CG PHE A 425 5.660 -5.357 -9.941 1.00 41.45 C ATOM 485 CD1 PHE A 425 5.843 -4.012 -10.106 1.00 2.11 C ATOM 486 CD2 PHE A 425 6.711 -6.115 -9.415 1.00 52.50 C ATOM 487 CE1 PHE A 425 7.005 -3.410 -9.789 1.00 44.21 C ATOM 488 CE2 PHE A 425 7.904 -5.506 -9.081 1.00 44.44 C ATOM 489 CZ PHE A 425 8.057 -4.140 -9.279 1.00 53.00 C ATOM 0 H PHE A 425 2.404 -4.976 -11.791 1.00 64.12 H new ATOM 0 HA PHE A 425 5.092 -6.023 -12.357 1.00 20.41 H new ATOM 0 HB2 PHE A 425 3.556 -5.279 -9.984 1.00 21.33 H new ATOM 0 HB3 PHE A 425 4.223 -6.890 -9.812 1.00 21.33 H new ATOM 0 HD1 PHE A 425 5.034 -3.416 -10.501 1.00 2.11 H new ATOM 0 HD2 PHE A 425 6.589 -7.178 -9.270 1.00 52.50 H new ATOM 0 HE1 PHE A 425 7.114 -2.346 -9.936 1.00 44.21 H new ATOM 0 HE2 PHE A 425 8.714 -6.089 -8.668 1.00 44.44 H new ATOM 0 HZ PHE A 425 8.991 -3.655 -9.036 1.00 53.00 H new ATOM 499 N MET A 426 2.614 -7.881 -12.851 1.00 74.15 N ATOM 500 CA MET A 426 1.962 -9.189 -12.951 1.00 50.02 C ATOM 501 C MET A 426 2.615 -10.186 -13.925 1.00 64.10 C ATOM 502 O MET A 426 2.575 -11.378 -13.641 1.00 30.55 O ATOM 503 CB MET A 426 0.485 -9.066 -13.285 1.00 21.13 C ATOM 504 CG MET A 426 -0.429 -9.372 -12.102 1.00 54.21 C ATOM 505 SD MET A 426 -0.193 -11.026 -11.439 1.00 52.04 S ATOM 506 CE MET A 426 -1.512 -11.077 -10.236 1.00 13.11 C ATOM 0 H MET A 426 2.134 -7.145 -13.369 1.00 74.15 H new ATOM 0 HA MET A 426 2.093 -9.604 -11.952 1.00 50.02 H new ATOM 0 HB2 MET A 426 0.283 -8.055 -13.640 1.00 21.13 H new ATOM 0 HB3 MET A 426 0.247 -9.745 -14.104 1.00 21.13 H new ATOM 0 HG2 MET A 426 -0.249 -8.642 -11.313 1.00 54.21 H new ATOM 0 HG3 MET A 426 -1.467 -9.256 -12.413 1.00 54.21 H new ATOM 0 HE1 MET A 426 -1.211 -11.698 -9.392 1.00 13.11 H new ATOM 0 HE2 MET A 426 -1.724 -10.067 -9.886 1.00 13.11 H new ATOM 0 HE3 MET A 426 -2.407 -11.497 -10.695 1.00 13.11 H new ATOM 516 N PRO A 427 3.193 -9.783 -15.118 1.00 73.41 N ATOM 517 CA PRO A 427 3.999 -10.725 -15.906 1.00 41.21 C ATOM 518 C PRO A 427 5.415 -10.952 -15.330 1.00 70.22 C ATOM 519 O PRO A 427 6.228 -11.644 -15.945 1.00 3.41 O ATOM 520 CB PRO A 427 4.046 -10.127 -17.320 1.00 12.54 C ATOM 521 CG PRO A 427 3.635 -8.696 -17.211 1.00 11.03 C ATOM 522 CD PRO A 427 3.037 -8.481 -15.835 1.00 42.51 C ATOM 0 HA PRO A 427 3.551 -11.719 -15.893 1.00 41.21 H new ATOM 0 HB2 PRO A 427 5.049 -10.208 -17.738 1.00 12.54 H new ATOM 0 HB3 PRO A 427 3.377 -10.669 -17.989 1.00 12.54 H new ATOM 0 HG2 PRO A 427 4.494 -8.041 -17.359 1.00 11.03 H new ATOM 0 HG3 PRO A 427 2.908 -8.449 -17.985 1.00 11.03 H new ATOM 0 HD2 PRO A 427 3.551 -7.679 -15.306 1.00 42.51 H new ATOM 0 HD3 PRO A 427 1.987 -8.196 -15.905 1.00 42.51 H new ATOM 530 N PHE A 428 5.685 -10.345 -14.165 1.00 30.42 N ATOM 531 CA PHE A 428 6.896 -10.606 -13.401 1.00 52.24 C ATOM 532 C PHE A 428 6.570 -11.457 -12.123 1.00 72.12 C ATOM 533 O PHE A 428 7.458 -11.644 -11.288 1.00 14.42 O ATOM 534 CB PHE A 428 7.666 -9.267 -13.042 1.00 41.14 C ATOM 535 CG PHE A 428 8.258 -8.471 -14.200 1.00 12.44 C ATOM 536 CD1 PHE A 428 8.951 -9.113 -15.215 1.00 21.10 C ATOM 537 CD2 PHE A 428 8.195 -7.066 -14.235 1.00 33.31 C ATOM 538 CE1 PHE A 428 9.546 -8.396 -16.229 1.00 55.22 C ATOM 539 CE2 PHE A 428 8.807 -6.352 -15.250 1.00 71.11 C ATOM 540 CZ PHE A 428 9.480 -7.023 -16.246 1.00 71.32 C ATOM 0 H PHE A 428 5.065 -9.660 -13.733 1.00 30.42 H new ATOM 0 HA PHE A 428 7.569 -11.191 -14.028 1.00 52.24 H new ATOM 0 HB2 PHE A 428 6.978 -8.616 -12.502 1.00 41.14 H new ATOM 0 HB3 PHE A 428 8.475 -9.516 -12.355 1.00 41.14 H new ATOM 0 HD1 PHE A 428 9.025 -10.190 -15.210 1.00 21.10 H new ATOM 0 HD2 PHE A 428 7.662 -6.537 -13.459 1.00 33.31 H new ATOM 0 HE1 PHE A 428 10.069 -8.917 -17.018 1.00 55.22 H new ATOM 0 HE2 PHE A 428 8.757 -5.273 -15.261 1.00 71.11 H new ATOM 0 HZ PHE A 428 9.957 -6.470 -17.042 1.00 71.32 H new ATOM 550 N GLY A 429 5.323 -12.044 -11.969 1.00 41.24 N ATOM 551 CA GLY A 429 5.097 -12.914 -10.786 1.00 41.24 C ATOM 552 C GLY A 429 3.643 -12.825 -10.138 1.00 64.24 C ATOM 553 O GLY A 429 2.791 -12.152 -10.703 1.00 63.12 O ATOM 0 H GLY A 429 4.531 -11.934 -12.602 1.00 41.24 H new ATOM 0 HA2 GLY A 429 5.284 -13.948 -11.076 1.00 41.24 H new ATOM 0 HA3 GLY A 429 5.832 -12.659 -10.023 1.00 41.24 H new ATOM 557 N ASN A 430 3.364 -13.503 -8.953 1.00 63.32 N ATOM 558 CA ASN A 430 1.981 -13.569 -8.287 1.00 34.45 C ATOM 559 C ASN A 430 1.680 -12.316 -7.321 1.00 61.13 C ATOM 560 O ASN A 430 2.624 -11.802 -6.717 1.00 53.13 O ATOM 561 CB ASN A 430 1.930 -14.920 -7.473 1.00 60.05 C ATOM 562 CG ASN A 430 0.572 -15.379 -6.911 1.00 72.14 C ATOM 563 OD1 ASN A 430 0.076 -14.843 -5.915 1.00 62.33 O ATOM 564 ND2 ASN A 430 0.024 -16.470 -7.482 1.00 23.00 N ATOM 0 H ASN A 430 4.079 -14.014 -8.435 1.00 63.32 H new ATOM 0 HA ASN A 430 1.211 -13.529 -9.058 1.00 34.45 H new ATOM 0 HB2 ASN A 430 2.308 -15.712 -8.119 1.00 60.05 H new ATOM 0 HB3 ASN A 430 2.624 -14.832 -6.637 1.00 60.05 H new ATOM 0 HD21 ASN A 430 -0.826 -16.877 -7.092 1.00 23.00 H new ATOM 0 HD22 ASN A 430 0.459 -16.888 -8.304 1.00 23.00 H new ATOM 571 N VAL A 431 0.379 -11.794 -7.180 1.00 1.32 N ATOM 572 CA VAL A 431 0.046 -10.755 -6.103 1.00 4.43 C ATOM 573 C VAL A 431 -0.631 -11.474 -4.871 1.00 5.15 C ATOM 574 O VAL A 431 -1.488 -12.339 -5.085 1.00 31.13 O ATOM 575 CB VAL A 431 -0.890 -9.494 -6.494 1.00 10.22 C ATOM 576 CG1 VAL A 431 -0.351 -8.573 -7.614 1.00 13.02 C ATOM 577 CG2 VAL A 431 -2.376 -9.833 -6.769 1.00 51.53 C ATOM 0 H VAL A 431 -0.411 -12.062 -7.767 1.00 1.32 H new ATOM 0 HA VAL A 431 1.023 -10.317 -5.900 1.00 4.43 H new ATOM 0 HB VAL A 431 -0.844 -8.927 -5.564 1.00 10.22 H new ATOM 0 HG11 VAL A 431 -1.059 -7.764 -7.792 1.00 13.02 H new ATOM 0 HG12 VAL A 431 0.609 -8.155 -7.311 1.00 13.02 H new ATOM 0 HG13 VAL A 431 -0.223 -9.150 -8.530 1.00 13.02 H new ATOM 0 HG21 VAL A 431 -2.916 -8.921 -7.022 1.00 51.53 H new ATOM 0 HG22 VAL A 431 -2.441 -10.536 -7.600 1.00 51.53 H new ATOM 0 HG23 VAL A 431 -2.818 -10.281 -5.879 1.00 51.53 H new ATOM 587 N ILE A 432 -0.254 -11.180 -3.581 1.00 12.15 N ATOM 588 CA ILE A 432 -1.140 -11.669 -2.435 1.00 55.23 C ATOM 589 C ILE A 432 -1.802 -10.506 -1.667 1.00 44.03 C ATOM 590 O ILE A 432 -2.977 -10.646 -1.318 1.00 63.34 O ATOM 591 CB ILE A 432 -0.627 -12.841 -1.417 1.00 0.22 C ATOM 592 CG1 ILE A 432 0.834 -13.350 -1.633 1.00 14.41 C ATOM 593 CG2 ILE A 432 -1.540 -14.073 -1.539 1.00 43.23 C ATOM 594 CD1 ILE A 432 1.290 -14.558 -0.735 1.00 72.21 C ATOM 0 H ILE A 432 0.578 -10.656 -3.310 1.00 12.15 H new ATOM 0 HA ILE A 432 -1.870 -12.230 -3.018 1.00 55.23 H new ATOM 0 HB ILE A 432 -0.660 -12.363 -0.438 1.00 0.22 H new ATOM 0 HG12 ILE A 432 0.945 -13.639 -2.678 1.00 14.41 H new ATOM 0 HG13 ILE A 432 1.516 -12.518 -1.459 1.00 14.41 H new ATOM 0 HG21 ILE A 432 -1.194 -14.851 -0.859 1.00 43.23 H new ATOM 0 HG22 ILE A 432 -2.562 -13.795 -1.283 1.00 43.23 H new ATOM 0 HG23 ILE A 432 -1.512 -14.447 -2.562 1.00 43.23 H new ATOM 0 HD11 ILE A 432 2.320 -14.821 -0.975 1.00 72.21 H new ATOM 0 HD12 ILE A 432 1.223 -14.276 0.316 1.00 72.21 H new ATOM 0 HD13 ILE A 432 0.643 -15.415 -0.922 1.00 72.21 H new ATOM 606 N SER A 433 -1.110 -9.349 -1.418 1.00 14.13 N ATOM 607 CA SER A 433 -1.819 -8.174 -0.768 1.00 10.42 C ATOM 608 C SER A 433 -1.133 -6.763 -1.038 1.00 30.12 C ATOM 609 O SER A 433 0.102 -6.728 -1.126 1.00 14.42 O ATOM 610 CB SER A 433 -1.899 -8.412 0.770 1.00 34.30 C ATOM 611 OG SER A 433 -3.106 -9.068 1.126 1.00 72.52 O ATOM 0 H SER A 433 -0.125 -9.198 -1.637 1.00 14.13 H new ATOM 0 HA SER A 433 -2.808 -8.127 -1.223 1.00 10.42 H new ATOM 0 HB2 SER A 433 -1.048 -9.011 1.093 1.00 34.30 H new ATOM 0 HB3 SER A 433 -1.833 -7.458 1.292 1.00 34.30 H new ATOM 0 HG SER A 433 -3.334 -9.729 0.439 1.00 72.52 H new ATOM 617 N ALA A 434 -1.917 -5.592 -1.196 1.00 11.02 N ATOM 618 CA ALA A 434 -1.298 -4.198 -1.069 1.00 14.45 C ATOM 619 C ALA A 434 -2.264 -3.092 -0.692 1.00 35.32 C ATOM 620 O ALA A 434 -3.460 -3.152 -0.973 1.00 52.54 O ATOM 621 CB ALA A 434 -0.581 -3.715 -2.329 1.00 42.00 C ATOM 0 H ALA A 434 -2.917 -5.596 -1.399 1.00 11.02 H new ATOM 0 HA ALA A 434 -0.592 -4.364 -0.256 1.00 14.45 H new ATOM 0 HB1 ALA A 434 -0.171 -2.720 -2.156 1.00 42.00 H new ATOM 0 HB2 ALA A 434 0.228 -4.403 -2.574 1.00 42.00 H new ATOM 0 HB3 ALA A 434 -1.288 -3.677 -3.158 1.00 42.00 H new ATOM 627 N LYS A 435 -1.679 -2.070 -0.017 1.00 51.25 N ATOM 628 CA LYS A 435 -2.351 -0.818 0.319 1.00 72.32 C ATOM 629 C LYS A 435 -1.308 0.324 0.397 1.00 21.34 C ATOM 630 O LYS A 435 -0.225 0.121 0.967 1.00 23.44 O ATOM 631 CB LYS A 435 -3.082 -0.979 1.663 1.00 52.23 C ATOM 632 CG LYS A 435 -2.354 -1.897 2.658 1.00 51.34 C ATOM 633 CD LYS A 435 -2.890 -1.747 4.066 1.00 54.44 C ATOM 634 CE LYS A 435 -2.646 -0.332 4.625 1.00 74.41 C ATOM 635 NZ LYS A 435 -1.205 0.066 4.550 1.00 11.43 N ATOM 0 H LYS A 435 -0.713 -2.107 0.308 1.00 51.25 H new ATOM 0 HA LYS A 435 -3.081 -0.569 -0.451 1.00 72.32 H new ATOM 0 HB2 LYS A 435 -3.210 0.004 2.116 1.00 52.23 H new ATOM 0 HB3 LYS A 435 -4.080 -1.377 1.478 1.00 52.23 H new ATOM 0 HG2 LYS A 435 -2.460 -2.934 2.339 1.00 51.34 H new ATOM 0 HG3 LYS A 435 -1.288 -1.668 2.650 1.00 51.34 H new ATOM 0 HD2 LYS A 435 -3.959 -1.961 4.072 1.00 54.44 H new ATOM 0 HD3 LYS A 435 -2.414 -2.481 4.716 1.00 54.44 H new ATOM 0 HE2 LYS A 435 -3.249 0.385 4.068 1.00 74.41 H new ATOM 0 HE3 LYS A 435 -2.979 -0.291 5.662 1.00 74.41 H new ATOM 0 HZ1 LYS A 435 -1.049 0.917 5.127 1.00 11.43 H new ATOM 0 HZ2 LYS A 435 -0.612 -0.709 4.909 1.00 11.43 H new ATOM 0 HZ3 LYS A 435 -0.951 0.267 3.562 1.00 11.43 H new ATOM 649 N VAL A 436 -1.605 1.518 -0.164 1.00 4.32 N ATOM 650 CA VAL A 436 -0.667 2.654 -0.075 1.00 22.43 C ATOM 651 C VAL A 436 -0.986 3.447 1.178 1.00 63.35 C ATOM 652 O VAL A 436 -2.098 3.980 1.249 1.00 51.10 O ATOM 653 CB VAL A 436 -0.729 3.651 -1.314 1.00 72.40 C ATOM 654 CG1 VAL A 436 0.612 3.740 -2.008 1.00 63.24 C ATOM 655 CG2 VAL A 436 -1.808 3.329 -2.349 1.00 24.30 C ATOM 0 H VAL A 436 -2.467 1.716 -0.672 1.00 4.32 H new ATOM 0 HA VAL A 436 0.335 2.224 -0.061 1.00 22.43 H new ATOM 0 HB VAL A 436 -1.000 4.611 -0.874 1.00 72.40 H new ATOM 0 HG11 VAL A 436 0.541 4.428 -2.851 1.00 63.24 H new ATOM 0 HG12 VAL A 436 1.362 4.103 -1.305 1.00 63.24 H new ATOM 0 HG13 VAL A 436 0.901 2.753 -2.369 1.00 63.24 H new ATOM 0 HG21 VAL A 436 -1.771 4.063 -3.154 1.00 24.30 H new ATOM 0 HG22 VAL A 436 -1.634 2.334 -2.758 1.00 24.30 H new ATOM 0 HG23 VAL A 436 -2.789 3.360 -1.874 1.00 24.30 H new ATOM 665 N PHE A 437 -0.077 3.540 2.198 1.00 24.34 N ATOM 666 CA PHE A 437 -0.373 4.504 3.217 1.00 42.32 C ATOM 667 C PHE A 437 0.240 5.842 2.790 1.00 32.31 C ATOM 668 O PHE A 437 1.440 6.121 2.928 1.00 42.32 O ATOM 669 CB PHE A 437 -0.003 4.062 4.678 1.00 53.41 C ATOM 670 CG PHE A 437 1.454 3.921 5.089 1.00 40.11 C ATOM 671 CD1 PHE A 437 2.232 2.836 4.697 1.00 54.34 C ATOM 672 CD2 PHE A 437 2.004 4.845 5.956 1.00 54.54 C ATOM 673 CE1 PHE A 437 3.526 2.691 5.165 1.00 44.32 C ATOM 674 CE2 PHE A 437 3.294 4.711 6.411 1.00 71.04 C ATOM 675 CZ PHE A 437 4.056 3.634 6.022 1.00 55.32 C ATOM 0 H PHE A 437 0.781 2.998 2.305 1.00 24.34 H new ATOM 0 HA PHE A 437 -1.455 4.608 3.293 1.00 42.32 H new ATOM 0 HB2 PHE A 437 -0.463 4.779 5.359 1.00 53.41 H new ATOM 0 HB3 PHE A 437 -0.483 3.100 4.856 1.00 53.41 H new ATOM 0 HD1 PHE A 437 1.822 2.100 4.021 1.00 54.34 H new ATOM 0 HD2 PHE A 437 1.411 5.687 6.282 1.00 54.54 H new ATOM 0 HE1 PHE A 437 4.120 1.842 4.860 1.00 44.32 H new ATOM 0 HE2 PHE A 437 3.710 5.453 7.076 1.00 71.04 H new ATOM 0 HZ PHE A 437 5.067 3.527 6.386 1.00 55.32 H new ATOM 846 N PHE A 448 4.057 5.659 1.220 1.00 44.44 N ATOM 847 CA PHE A 448 4.904 4.522 1.564 1.00 55.25 C ATOM 848 C PHE A 448 4.119 3.196 1.330 1.00 72.30 C ATOM 849 O PHE A 448 2.971 3.075 1.751 1.00 63.44 O ATOM 850 CB PHE A 448 5.386 4.739 3.023 1.00 14.31 C ATOM 851 CG PHE A 448 6.886 4.835 3.185 1.00 21.04 C ATOM 852 CD1 PHE A 448 7.663 3.692 3.295 1.00 41.54 C ATOM 853 CD2 PHE A 448 7.514 6.075 3.213 1.00 34.25 C ATOM 854 CE1 PHE A 448 9.038 3.785 3.422 1.00 62.12 C ATOM 855 CE2 PHE A 448 8.882 6.171 3.345 1.00 44.02 C ATOM 856 CZ PHE A 448 9.646 5.028 3.446 1.00 20.33 C ATOM 0 HA PHE A 448 5.788 4.444 0.931 1.00 55.25 H new ATOM 0 HB2 PHE A 448 4.933 5.652 3.409 1.00 14.31 H new ATOM 0 HB3 PHE A 448 5.020 3.917 3.638 1.00 14.31 H new ATOM 0 HD1 PHE A 448 7.191 2.721 3.281 1.00 41.54 H new ATOM 0 HD2 PHE A 448 6.922 6.974 3.130 1.00 34.25 H new ATOM 0 HE1 PHE A 448 9.636 2.889 3.502 1.00 62.12 H new ATOM 0 HE2 PHE A 448 9.356 7.141 3.369 1.00 44.02 H new ATOM 0 HZ PHE A 448 10.719 5.103 3.544 1.00 20.33 H new ATOM 866 N GLY A 449 4.729 2.245 0.595 1.00 40.43 N ATOM 867 CA GLY A 449 4.028 0.972 0.174 1.00 20.15 C ATOM 868 C GLY A 449 4.722 -0.349 0.612 1.00 22.23 C ATOM 869 O GLY A 449 5.849 -0.297 1.098 1.00 40.11 O ATOM 0 H GLY A 449 5.695 2.314 0.274 1.00 40.43 H new ATOM 0 HA2 GLY A 449 3.017 0.983 0.580 1.00 20.15 H new ATOM 0 HA3 GLY A 449 3.935 0.971 -0.912 1.00 20.15 H new ATOM 873 N PHE A 450 4.029 -1.535 0.454 1.00 40.31 N ATOM 874 CA PHE A 450 4.638 -2.902 0.750 1.00 13.12 C ATOM 875 C PHE A 450 3.903 -3.996 -0.095 1.00 12.23 C ATOM 876 O PHE A 450 2.710 -3.803 -0.358 1.00 52.22 O ATOM 877 CB PHE A 450 4.671 -3.228 2.314 1.00 2.22 C ATOM 878 CG PHE A 450 3.412 -3.780 2.998 1.00 45.31 C ATOM 879 CD1 PHE A 450 2.934 -5.070 2.753 1.00 44.41 C ATOM 880 CD2 PHE A 450 2.720 -2.996 3.913 1.00 34.34 C ATOM 881 CE1 PHE A 450 1.810 -5.542 3.387 1.00 44.40 C ATOM 882 CE2 PHE A 450 1.596 -3.472 4.547 1.00 21.43 C ATOM 883 CZ PHE A 450 1.137 -4.746 4.282 1.00 34.10 C ATOM 0 H PHE A 450 3.063 -1.578 0.129 1.00 40.31 H new ATOM 0 HA PHE A 450 5.685 -2.894 0.447 1.00 13.12 H new ATOM 0 HB2 PHE A 450 5.475 -3.945 2.481 1.00 2.22 H new ATOM 0 HB3 PHE A 450 4.949 -2.311 2.833 1.00 2.22 H new ATOM 0 HD1 PHE A 450 3.456 -5.706 2.054 1.00 44.41 H new ATOM 0 HD2 PHE A 450 3.070 -1.998 4.130 1.00 34.34 H new ATOM 0 HE1 PHE A 450 1.455 -6.541 3.181 1.00 44.40 H new ATOM 0 HE2 PHE A 450 1.071 -2.847 5.254 1.00 21.43 H new ATOM 0 HZ PHE A 450 0.251 -5.116 4.777 1.00 34.10 H new ATOM 893 N VAL A 451 4.554 -5.151 -0.531 1.00 21.13 N ATOM 894 CA VAL A 451 3.792 -6.144 -1.393 1.00 3.35 C ATOM 895 C VAL A 451 4.444 -7.567 -1.393 1.00 30.11 C ATOM 896 O VAL A 451 5.673 -7.673 -1.337 1.00 20.01 O ATOM 897 CB VAL A 451 3.440 -5.510 -2.852 1.00 64.05 C ATOM 898 CG1 VAL A 451 4.585 -4.741 -3.497 1.00 32.12 C ATOM 899 CG2 VAL A 451 2.932 -6.466 -3.946 1.00 44.13 C ATOM 0 H VAL A 451 5.521 -5.399 -0.320 1.00 21.13 H new ATOM 0 HA VAL A 451 2.819 -6.329 -0.938 1.00 3.35 H new ATOM 0 HB VAL A 451 2.620 -4.861 -2.545 1.00 64.05 H new ATOM 0 HG11 VAL A 451 4.264 -4.354 -4.464 1.00 32.12 H new ATOM 0 HG12 VAL A 451 4.875 -3.912 -2.852 1.00 32.12 H new ATOM 0 HG13 VAL A 451 5.437 -5.407 -3.637 1.00 32.12 H new ATOM 0 HG21 VAL A 451 2.740 -5.904 -4.860 1.00 44.13 H new ATOM 0 HG22 VAL A 451 3.686 -7.229 -4.141 1.00 44.13 H new ATOM 0 HG23 VAL A 451 2.010 -6.943 -3.613 1.00 44.13 H new ATOM 909 N SER A 452 3.616 -8.688 -1.433 1.00 33.52 N ATOM 910 CA SER A 452 4.067 -10.015 -1.039 1.00 60.33 C ATOM 911 C SER A 452 4.371 -10.856 -2.312 1.00 52.14 C ATOM 912 O SER A 452 3.450 -11.107 -3.098 1.00 33.21 O ATOM 913 CB SER A 452 2.896 -10.642 -0.192 1.00 55.34 C ATOM 914 OG SER A 452 3.253 -11.896 0.381 1.00 3.13 O ATOM 0 H SER A 452 2.643 -8.656 -1.739 1.00 33.52 H new ATOM 0 HA SER A 452 4.984 -9.986 -0.450 1.00 60.33 H new ATOM 0 HB2 SER A 452 2.614 -9.950 0.601 1.00 55.34 H new ATOM 0 HB3 SER A 452 2.020 -10.772 -0.828 1.00 55.34 H new ATOM 0 HG SER A 452 2.498 -12.246 0.898 1.00 3.13 H new ATOM 920 N TYR A 453 5.647 -11.316 -2.525 1.00 70.34 N ATOM 921 CA TYR A 453 6.006 -11.945 -3.807 1.00 44.25 C ATOM 922 C TYR A 453 6.388 -13.453 -3.535 1.00 23.52 C ATOM 923 O TYR A 453 7.161 -13.631 -2.590 1.00 32.12 O ATOM 924 CB TYR A 453 7.179 -10.972 -4.295 1.00 33.31 C ATOM 925 CG TYR A 453 7.461 -10.722 -5.775 1.00 3.20 C ATOM 926 CD1 TYR A 453 6.540 -10.106 -6.611 1.00 72.25 C ATOM 927 CD2 TYR A 453 8.707 -10.979 -6.286 1.00 24.05 C ATOM 928 CE1 TYR A 453 6.864 -9.784 -7.920 1.00 73.34 C ATOM 929 CE2 TYR A 453 9.049 -10.635 -7.573 1.00 11.14 C ATOM 930 CZ TYR A 453 8.133 -10.048 -8.381 1.00 22.53 C ATOM 931 OH TYR A 453 8.506 -9.673 -9.647 1.00 11.30 O ATOM 0 H TYR A 453 6.405 -11.259 -1.845 1.00 70.34 H new ATOM 0 HA TYR A 453 5.241 -12.029 -4.579 1.00 44.25 H new ATOM 0 HB2 TYR A 453 6.988 -9.999 -3.843 1.00 33.31 H new ATOM 0 HB3 TYR A 453 8.103 -11.351 -3.859 1.00 33.31 H new ATOM 0 HD1 TYR A 453 5.554 -9.874 -6.235 1.00 72.25 H new ATOM 0 HD2 TYR A 453 9.441 -11.465 -5.660 1.00 24.05 H new ATOM 0 HE1 TYR A 453 6.129 -9.332 -8.570 1.00 73.34 H new ATOM 0 HE2 TYR A 453 10.046 -10.832 -7.939 1.00 11.14 H new ATOM 0 HH TYR A 453 8.143 -10.310 -10.297 1.00 11.30 H new ATOM 941 N ASP A 454 5.820 -14.535 -4.322 1.00 22.20 N ATOM 942 CA ASP A 454 6.057 -16.011 -4.041 1.00 61.31 C ATOM 943 C ASP A 454 7.378 -16.387 -3.350 1.00 43.52 C ATOM 944 O ASP A 454 7.371 -16.667 -2.155 1.00 71.14 O ATOM 945 CB ASP A 454 5.975 -16.870 -5.310 1.00 63.41 C ATOM 946 CG ASP A 454 4.602 -16.928 -5.922 1.00 43.43 C ATOM 947 OD1 ASP A 454 3.637 -17.234 -5.202 1.00 70.11 O ATOM 948 OD2 ASP A 454 4.498 -16.682 -7.147 1.00 14.42 O ATOM 0 H ASP A 454 5.216 -14.371 -5.127 1.00 22.20 H new ATOM 0 HA ASP A 454 5.248 -16.218 -3.341 1.00 61.31 H new ATOM 0 HB2 ASP A 454 6.674 -16.477 -6.048 1.00 63.41 H new ATOM 0 HB3 ASP A 454 6.299 -17.883 -5.072 1.00 63.41 H new ATOM 953 N ASN A 455 8.496 -16.381 -4.090 1.00 64.45 N ATOM 954 CA ASN A 455 9.757 -16.924 -3.590 1.00 25.14 C ATOM 955 C ASN A 455 10.916 -16.201 -4.303 1.00 3.22 C ATOM 956 O ASN A 455 10.787 -15.967 -5.506 1.00 2.32 O ATOM 957 CB ASN A 455 9.773 -18.456 -3.871 1.00 0.53 C ATOM 958 CG ASN A 455 10.500 -19.360 -2.844 1.00 73.45 C ATOM 959 OD1 ASN A 455 11.493 -18.983 -2.240 1.00 13.54 O ATOM 960 ND2 ASN A 455 9.976 -20.592 -2.650 1.00 45.33 N ATOM 0 H ASN A 455 8.548 -16.005 -5.037 1.00 64.45 H new ATOM 0 HA ASN A 455 9.867 -16.769 -2.517 1.00 25.14 H new ATOM 0 HB2 ASN A 455 8.740 -18.796 -3.947 1.00 0.53 H new ATOM 0 HB3 ASN A 455 10.234 -18.615 -4.846 1.00 0.53 H new ATOM 0 HD21 ASN A 455 10.411 -21.232 -1.986 1.00 45.33 H new ATOM 0 HD22 ASN A 455 9.146 -20.881 -3.168 1.00 45.33 H new ATOM 967 N PRO A 456 12.016 -15.798 -3.561 1.00 23.41 N ATOM 968 CA PRO A 456 13.213 -15.042 -4.061 1.00 44.23 C ATOM 969 C PRO A 456 13.794 -15.236 -5.522 1.00 11.22 C ATOM 970 O PRO A 456 14.611 -14.393 -5.905 1.00 52.54 O ATOM 971 CB PRO A 456 14.305 -15.368 -3.012 1.00 70.52 C ATOM 972 CG PRO A 456 13.641 -16.142 -1.915 1.00 63.24 C ATOM 973 CD PRO A 456 12.159 -15.935 -2.083 1.00 74.43 C ATOM 0 HA PRO A 456 12.875 -14.011 -4.169 1.00 44.23 H new ATOM 0 HB2 PRO A 456 15.110 -15.949 -3.461 1.00 70.52 H new ATOM 0 HB3 PRO A 456 14.751 -14.453 -2.623 1.00 70.52 H new ATOM 0 HG2 PRO A 456 13.895 -17.200 -1.978 1.00 63.24 H new ATOM 0 HG3 PRO A 456 13.973 -15.793 -0.937 1.00 63.24 H new ATOM 0 HD2 PRO A 456 11.586 -16.778 -1.696 1.00 74.43 H new ATOM 0 HD3 PRO A 456 11.812 -15.045 -1.558 1.00 74.43 H new ATOM 981 N VAL A 457 13.433 -16.266 -6.357 1.00 31.13 N ATOM 982 CA VAL A 457 14.032 -16.349 -7.722 1.00 70.12 C ATOM 983 C VAL A 457 13.357 -15.342 -8.699 1.00 70.30 C ATOM 984 O VAL A 457 13.901 -15.051 -9.757 1.00 12.14 O ATOM 985 CB VAL A 457 14.127 -17.788 -8.387 1.00 33.31 C ATOM 986 CG1 VAL A 457 15.006 -18.741 -7.598 1.00 53.32 C ATOM 987 CG2 VAL A 457 12.787 -18.456 -8.651 1.00 31.34 C ATOM 0 H VAL A 457 12.771 -17.005 -6.123 1.00 31.13 H new ATOM 0 HA VAL A 457 15.072 -16.075 -7.545 1.00 70.12 H new ATOM 0 HB VAL A 457 14.585 -17.584 -9.355 1.00 33.31 H new ATOM 0 HG11 VAL A 457 15.034 -19.709 -8.099 1.00 53.32 H new ATOM 0 HG12 VAL A 457 16.016 -18.336 -7.534 1.00 53.32 H new ATOM 0 HG13 VAL A 457 14.600 -18.864 -6.594 1.00 53.32 H new ATOM 0 HG21 VAL A 457 12.951 -19.433 -9.106 1.00 31.34 H new ATOM 0 HG22 VAL A 457 12.250 -18.579 -7.710 1.00 31.34 H new ATOM 0 HG23 VAL A 457 12.198 -17.836 -9.326 1.00 31.34 H new ATOM 997 N SER A 458 12.161 -14.832 -8.344 1.00 1.33 N ATOM 998 CA SER A 458 11.570 -13.691 -9.038 1.00 41.43 C ATOM 999 C SER A 458 12.059 -12.298 -8.462 1.00 14.42 C ATOM 1000 O SER A 458 11.909 -11.303 -9.183 1.00 53.31 O ATOM 1001 CB SER A 458 9.993 -13.806 -9.064 1.00 34.43 C ATOM 1002 OG SER A 458 9.476 -14.011 -7.765 1.00 12.32 O ATOM 0 H SER A 458 11.593 -15.198 -7.580 1.00 1.33 H new ATOM 0 HA SER A 458 11.926 -13.722 -10.068 1.00 41.43 H new ATOM 0 HB2 SER A 458 9.566 -12.898 -9.489 1.00 34.43 H new ATOM 0 HB3 SER A 458 9.696 -14.631 -9.711 1.00 34.43 H new ATOM 0 HG SER A 458 9.256 -13.146 -7.360 1.00 12.32 H new ATOM 1008 N ALA A 459 12.678 -12.199 -7.205 1.00 54.11 N ATOM 1009 CA ALA A 459 12.917 -10.875 -6.579 1.00 61.22 C ATOM 1010 C ALA A 459 13.975 -10.025 -7.260 1.00 73.33 C ATOM 1011 O ALA A 459 13.663 -8.921 -7.662 1.00 4.22 O ATOM 1012 CB ALA A 459 13.256 -10.955 -5.104 1.00 15.51 C ATOM 0 H ALA A 459 12.995 -12.997 -6.654 1.00 54.11 H new ATOM 0 HA ALA A 459 11.952 -10.385 -6.710 1.00 61.22 H new ATOM 0 HB1 ALA A 459 13.418 -9.951 -4.713 1.00 15.51 H new ATOM 0 HB2 ALA A 459 12.433 -11.426 -4.566 1.00 15.51 H new ATOM 0 HB3 ALA A 459 14.162 -11.547 -4.970 1.00 15.51 H new ATOM 1018 N GLN A 460 15.219 -10.514 -7.393 1.00 42.11 N ATOM 1019 CA GLN A 460 16.306 -9.687 -7.896 1.00 20.31 C ATOM 1020 C GLN A 460 16.140 -9.388 -9.407 1.00 5.53 C ATOM 1021 O GLN A 460 16.629 -8.346 -9.874 1.00 24.41 O ATOM 1022 CB GLN A 460 17.708 -10.270 -7.562 1.00 53.31 C ATOM 1023 CG GLN A 460 18.089 -10.336 -6.054 1.00 73.54 C ATOM 1024 CD GLN A 460 17.435 -11.471 -5.251 1.00 44.13 C ATOM 1025 OE1 GLN A 460 16.390 -11.293 -4.633 1.00 11.50 O ATOM 1026 NE2 GLN A 460 18.064 -12.640 -5.241 1.00 53.23 N ATOM 0 H GLN A 460 15.486 -11.470 -7.159 1.00 42.11 H new ATOM 0 HA GLN A 460 16.245 -8.735 -7.369 1.00 20.31 H new ATOM 0 HB2 GLN A 460 17.766 -11.278 -7.973 1.00 53.31 H new ATOM 0 HB3 GLN A 460 18.459 -9.672 -8.078 1.00 53.31 H new ATOM 0 HG2 GLN A 460 19.171 -10.437 -5.976 1.00 73.54 H new ATOM 0 HG3 GLN A 460 17.823 -9.387 -5.589 1.00 73.54 H new ATOM 0 HE21 GLN A 460 18.931 -12.757 -5.765 1.00 53.23 H new ATOM 0 HE22 GLN A 460 17.680 -13.421 -4.709 1.00 53.23 H new ATOM 1035 N ALA A 461 15.453 -10.297 -10.171 1.00 10.34 N ATOM 1036 CA ALA A 461 14.988 -9.972 -11.531 1.00 71.01 C ATOM 1037 C ALA A 461 14.003 -8.695 -11.649 1.00 23.31 C ATOM 1038 O ALA A 461 14.145 -7.973 -12.639 1.00 71.04 O ATOM 1039 CB ALA A 461 14.517 -11.277 -12.283 1.00 61.22 C ATOM 0 H ALA A 461 15.220 -11.240 -9.861 1.00 10.34 H new ATOM 0 HA ALA A 461 15.853 -9.595 -12.077 1.00 71.01 H new ATOM 0 HB1 ALA A 461 14.177 -11.017 -13.285 1.00 61.22 H new ATOM 0 HB2 ALA A 461 15.349 -11.977 -12.352 1.00 61.22 H new ATOM 0 HB3 ALA A 461 13.699 -11.740 -11.731 1.00 61.22 H new ATOM 1045 N ALA A 462 13.028 -8.388 -10.685 1.00 53.15 N ATOM 1046 CA ALA A 462 12.256 -7.044 -10.663 1.00 43.32 C ATOM 1047 C ALA A 462 12.937 -5.842 -9.902 1.00 70.12 C ATOM 1048 O ALA A 462 12.733 -4.697 -10.316 1.00 43.23 O ATOM 1049 CB ALA A 462 10.818 -7.219 -10.152 1.00 15.44 C ATOM 0 H ALA A 462 12.762 -9.027 -9.936 1.00 53.15 H new ATOM 0 HA ALA A 462 12.264 -6.757 -11.714 1.00 43.32 H new ATOM 0 HB1 ALA A 462 10.312 -6.254 -10.152 1.00 15.44 H new ATOM 0 HB2 ALA A 462 10.282 -7.910 -10.803 1.00 15.44 H new ATOM 0 HB3 ALA A 462 10.838 -7.618 -9.138 1.00 15.44 H new ATOM 1055 N ILE A 463 13.730 -6.085 -8.822 1.00 54.41 N ATOM 1056 CA ILE A 463 14.310 -5.018 -7.949 1.00 74.32 C ATOM 1057 C ILE A 463 15.310 -4.048 -8.736 1.00 73.14 C ATOM 1058 O ILE A 463 15.416 -2.873 -8.376 1.00 22.32 O ATOM 1059 CB ILE A 463 14.855 -5.652 -6.536 1.00 71.35 C ATOM 1060 CG1 ILE A 463 13.681 -5.830 -5.494 1.00 64.42 C ATOM 1061 CG2 ILE A 463 15.964 -4.844 -5.791 1.00 70.41 C ATOM 1062 CD1 ILE A 463 12.373 -6.474 -5.957 1.00 74.41 C ATOM 0 H ILE A 463 13.987 -7.028 -8.529 1.00 54.41 H new ATOM 0 HA ILE A 463 13.518 -4.331 -7.650 1.00 74.32 H new ATOM 0 HB ILE A 463 15.290 -6.596 -6.865 1.00 71.35 H new ATOM 0 HG12 ILE A 463 14.064 -6.423 -4.664 1.00 64.42 H new ATOM 0 HG13 ILE A 463 13.440 -4.844 -5.097 1.00 64.42 H new ATOM 0 HG21 ILE A 463 16.239 -5.365 -4.874 1.00 70.41 H new ATOM 0 HG22 ILE A 463 16.840 -4.752 -6.433 1.00 70.41 H new ATOM 0 HG23 ILE A 463 15.588 -3.851 -5.546 1.00 70.41 H new ATOM 0 HD11 ILE A 463 11.675 -6.521 -5.121 1.00 74.41 H new ATOM 0 HD12 ILE A 463 11.939 -5.879 -6.760 1.00 74.41 H new ATOM 0 HD13 ILE A 463 12.572 -7.482 -6.320 1.00 74.41 H new ATOM 1074 N GLN A 464 15.986 -4.499 -9.860 1.00 32.21 N ATOM 1075 CA GLN A 464 16.870 -3.604 -10.642 1.00 33.45 C ATOM 1076 C GLN A 464 16.226 -2.904 -11.922 1.00 61.11 C ATOM 1077 O GLN A 464 16.589 -1.758 -12.170 1.00 63.21 O ATOM 1078 CB GLN A 464 18.276 -4.265 -10.884 1.00 3.33 C ATOM 1079 CG GLN A 464 19.067 -4.500 -9.579 1.00 74.40 C ATOM 1080 CD GLN A 464 20.145 -5.557 -9.750 1.00 34.11 C ATOM 1081 OE1 GLN A 464 20.715 -5.710 -10.826 1.00 2.31 O ATOM 1082 NE2 GLN A 464 20.418 -6.303 -8.691 1.00 64.11 N ATOM 0 H GLN A 464 15.925 -5.452 -10.219 1.00 32.21 H new ATOM 0 HA GLN A 464 17.028 -2.734 -10.005 1.00 33.45 H new ATOM 0 HB2 GLN A 464 18.140 -5.218 -11.396 1.00 3.33 H new ATOM 0 HB3 GLN A 464 18.861 -3.628 -11.547 1.00 3.33 H new ATOM 0 HG2 GLN A 464 19.525 -3.564 -9.259 1.00 74.40 H new ATOM 0 HG3 GLN A 464 18.381 -4.806 -8.789 1.00 74.40 H new ATOM 0 HE21 GLN A 464 19.922 -6.144 -7.814 1.00 64.11 H new ATOM 0 HE22 GLN A 464 21.124 -7.036 -8.752 1.00 64.11 H new ATOM 1091 N ALA A 465 15.289 -3.526 -12.760 1.00 44.15 N ATOM 1092 CA ALA A 465 14.611 -2.751 -13.900 1.00 12.30 C ATOM 1093 C ALA A 465 13.602 -1.604 -13.443 1.00 74.44 C ATOM 1094 O ALA A 465 13.099 -0.867 -14.291 1.00 75.20 O ATOM 1095 CB ALA A 465 14.025 -3.664 -15.067 1.00 2.24 C ATOM 0 H ALA A 465 15.001 -4.501 -12.676 1.00 44.15 H new ATOM 0 HA ALA A 465 15.449 -2.214 -14.344 1.00 12.30 H new ATOM 0 HB1 ALA A 465 13.566 -3.032 -15.827 1.00 2.24 H new ATOM 0 HB2 ALA A 465 14.832 -4.243 -15.516 1.00 2.24 H new ATOM 0 HB3 ALA A 465 13.276 -4.342 -14.657 1.00 2.24 H new ATOM 1101 N MET A 466 13.342 -1.451 -12.115 1.00 31.24 N ATOM 1102 CA MET A 466 12.494 -0.351 -11.534 1.00 31.14 C ATOM 1103 C MET A 466 13.346 0.750 -10.836 1.00 63.01 C ATOM 1104 O MET A 466 12.809 1.793 -10.478 1.00 44.52 O ATOM 1105 CB MET A 466 11.486 -0.927 -10.494 1.00 71.34 C ATOM 1106 CG MET A 466 9.993 -0.662 -10.786 1.00 42.11 C ATOM 1107 SD MET A 466 9.258 -1.803 -11.992 1.00 21.13 S ATOM 1108 CE MET A 466 9.616 -1.018 -13.565 1.00 22.13 C ATOM 0 H MET A 466 13.713 -2.086 -11.408 1.00 31.24 H new ATOM 0 HA MET A 466 11.962 0.100 -12.371 1.00 31.14 H new ATOM 0 HB2 MET A 466 11.638 -2.004 -10.427 1.00 71.34 H new ATOM 0 HB3 MET A 466 11.725 -0.510 -9.516 1.00 71.34 H new ATOM 0 HG2 MET A 466 9.434 -0.728 -9.852 1.00 42.11 H new ATOM 0 HG3 MET A 466 9.881 0.358 -11.153 1.00 42.11 H new ATOM 0 HE1 MET A 466 8.873 -1.323 -14.301 1.00 22.13 H new ATOM 0 HE2 MET A 466 9.586 0.065 -13.446 1.00 22.13 H new ATOM 0 HE3 MET A 466 10.607 -1.318 -13.904 1.00 22.13 H new ATOM 1118 N ASN A 467 14.665 0.534 -10.710 1.00 64.51 N ATOM 1119 CA ASN A 467 15.574 1.361 -9.877 1.00 70.22 C ATOM 1120 C ASN A 467 15.875 2.748 -10.531 1.00 62.54 C ATOM 1121 O ASN A 467 16.588 2.760 -11.538 1.00 3.50 O ATOM 1122 CB ASN A 467 16.880 0.556 -9.684 1.00 41.03 C ATOM 1123 CG ASN A 467 17.671 1.028 -8.463 1.00 51.42 C ATOM 1124 OD1 ASN A 467 17.087 1.460 -7.470 1.00 63.24 O ATOM 1125 ND2 ASN A 467 19.001 0.950 -8.512 1.00 61.13 N ATOM 0 H ASN A 467 15.144 -0.229 -11.188 1.00 64.51 H new ATOM 0 HA ASN A 467 15.098 1.574 -8.920 1.00 70.22 H new ATOM 0 HB2 ASN A 467 16.641 -0.502 -9.574 1.00 41.03 H new ATOM 0 HB3 ASN A 467 17.499 0.651 -10.576 1.00 41.03 H new ATOM 0 HD21 ASN A 467 19.559 1.252 -7.714 1.00 61.13 H new ATOM 0 HD22 ASN A 467 19.460 0.588 -9.348 1.00 61.13 H new ATOM 1132 N GLY A 468 15.336 3.933 -10.022 1.00 71.05 N ATOM 1133 CA GLY A 468 15.764 5.212 -10.625 1.00 2.34 C ATOM 1134 C GLY A 468 15.092 5.583 -11.962 1.00 55.11 C ATOM 1135 O GLY A 468 15.618 6.421 -12.699 1.00 63.43 O ATOM 0 H GLY A 468 14.662 4.001 -9.259 1.00 71.05 H new ATOM 0 HA2 GLY A 468 15.572 6.011 -9.909 1.00 2.34 H new ATOM 0 HA3 GLY A 468 16.842 5.176 -10.780 1.00 2.34 H new ATOM 1139 N PHE A 469 13.941 4.987 -12.261 1.00 52.15 N ATOM 1140 CA PHE A 469 13.415 4.947 -13.624 1.00 62.35 C ATOM 1141 C PHE A 469 12.372 6.078 -13.696 1.00 34.23 C ATOM 1142 O PHE A 469 11.331 5.981 -13.028 1.00 30.55 O ATOM 1143 CB PHE A 469 12.832 3.481 -13.875 1.00 62.24 C ATOM 1144 CG PHE A 469 12.219 3.152 -15.236 1.00 73.20 C ATOM 1145 CD1 PHE A 469 10.884 3.428 -15.514 1.00 74.52 C ATOM 1146 CD2 PHE A 469 12.968 2.501 -16.213 1.00 52.25 C ATOM 1147 CE1 PHE A 469 10.318 3.078 -16.714 1.00 43.12 C ATOM 1148 CE2 PHE A 469 12.395 2.153 -17.422 1.00 23.25 C ATOM 1149 CZ PHE A 469 11.070 2.440 -17.671 1.00 0.10 C ATOM 0 H PHE A 469 13.350 4.521 -11.572 1.00 52.15 H new ATOM 0 HA PHE A 469 14.151 5.115 -14.410 1.00 62.35 H new ATOM 0 HB2 PHE A 469 13.639 2.771 -13.697 1.00 62.24 H new ATOM 0 HB3 PHE A 469 12.071 3.295 -13.117 1.00 62.24 H new ATOM 0 HD1 PHE A 469 10.281 3.928 -14.770 1.00 74.52 H new ATOM 0 HD2 PHE A 469 14.005 2.266 -16.025 1.00 52.25 H new ATOM 0 HE1 PHE A 469 9.280 3.304 -16.907 1.00 43.12 H new ATOM 0 HE2 PHE A 469 12.988 1.654 -18.174 1.00 23.25 H new ATOM 0 HZ PHE A 469 10.624 2.164 -18.615 1.00 0.10 H new ATOM 1159 N GLN A 470 12.660 7.191 -14.438 1.00 12.13 N ATOM 1160 CA GLN A 470 11.752 8.346 -14.427 1.00 43.40 C ATOM 1161 C GLN A 470 10.456 8.095 -15.206 1.00 41.43 C ATOM 1162 O GLN A 470 10.484 7.652 -16.354 1.00 4.00 O ATOM 1163 CB GLN A 470 12.468 9.579 -15.002 1.00 42.50 C ATOM 1164 CG GLN A 470 13.028 10.554 -13.954 1.00 4.13 C ATOM 1165 CD GLN A 470 12.027 11.621 -13.494 1.00 13.51 C ATOM 1166 OE1 GLN A 470 10.731 11.342 -13.576 1.00 1.35 O flip ATOM 1167 NE2 GLN A 470 12.423 12.713 -13.096 1.00 73.22 N flip ATOM 0 H GLN A 470 13.487 7.297 -15.026 1.00 12.13 H new ATOM 0 HA GLN A 470 11.474 8.519 -13.387 1.00 43.40 H new ATOM 0 HB2 GLN A 470 13.288 9.241 -15.636 1.00 42.50 H new ATOM 0 HB3 GLN A 470 11.771 10.119 -15.643 1.00 42.50 H new ATOM 0 HG2 GLN A 470 13.361 9.985 -13.086 1.00 4.13 H new ATOM 0 HG3 GLN A 470 13.907 11.049 -14.367 1.00 4.13 H new ATOM 0 HE21 GLN A 470 13.424 12.904 -13.042 1.00 73.22 H new ATOM 0 HE22 GLN A 470 11.751 13.429 -12.820 1.00 73.22 H new ATOM 1176 N ILE A 471 9.320 8.399 -14.559 1.00 50.34 N ATOM 1177 CA ILE A 471 8.005 8.249 -15.166 1.00 23.53 C ATOM 1178 C ILE A 471 7.196 9.549 -14.824 1.00 45.23 C ATOM 1179 O ILE A 471 6.713 9.671 -13.689 1.00 63.21 O ATOM 1180 CB ILE A 471 7.238 6.922 -14.655 1.00 14.45 C ATOM 1181 CG1 ILE A 471 7.893 5.592 -15.197 1.00 15.44 C ATOM 1182 CG2 ILE A 471 5.756 6.973 -15.023 1.00 44.31 C ATOM 1183 CD1 ILE A 471 7.139 4.274 -14.900 1.00 0.53 C ATOM 0 H ILE A 471 9.296 8.754 -13.603 1.00 50.34 H new ATOM 0 HA ILE A 471 8.104 8.124 -16.244 1.00 23.53 H new ATOM 0 HB ILE A 471 7.335 6.907 -13.569 1.00 14.45 H new ATOM 0 HG12 ILE A 471 8.005 5.684 -16.277 1.00 15.44 H new ATOM 0 HG13 ILE A 471 8.896 5.512 -14.778 1.00 15.44 H new ATOM 0 HG21 ILE A 471 5.262 6.069 -14.668 1.00 44.31 H new ATOM 0 HG22 ILE A 471 5.295 7.845 -14.558 1.00 44.31 H new ATOM 0 HG23 ILE A 471 5.652 7.042 -16.106 1.00 44.31 H new ATOM 0 HD11 ILE A 471 7.691 3.435 -15.324 1.00 0.53 H new ATOM 0 HD12 ILE A 471 7.049 4.141 -13.822 1.00 0.53 H new ATOM 0 HD13 ILE A 471 6.145 4.316 -15.344 1.00 0.53 H new ATOM 1195 N GLY A 472 7.118 10.583 -15.733 1.00 32.34 N ATOM 1196 CA GLY A 472 6.288 11.751 -15.428 1.00 32.12 C ATOM 1197 C GLY A 472 7.017 12.742 -14.545 1.00 74.45 C ATOM 1198 O GLY A 472 8.149 13.128 -14.835 1.00 61.04 O ATOM 0 H GLY A 472 7.602 10.612 -16.631 1.00 32.34 H new ATOM 0 HA2 GLY A 472 5.993 12.240 -16.356 1.00 32.12 H new ATOM 0 HA3 GLY A 472 5.372 11.427 -14.933 1.00 32.12 H new ATOM 1202 N MET A 473 6.378 13.129 -13.442 1.00 41.10 N ATOM 1203 CA MET A 473 6.996 14.078 -12.513 1.00 42.42 C ATOM 1204 C MET A 473 7.484 13.386 -11.213 1.00 12.01 C ATOM 1205 O MET A 473 7.832 14.063 -10.247 1.00 63.33 O ATOM 1206 CB MET A 473 6.083 15.337 -12.247 1.00 43.12 C ATOM 1207 CG MET A 473 4.645 15.089 -11.746 1.00 72.30 C ATOM 1208 SD MET A 473 4.532 14.664 -9.999 1.00 2.24 S ATOM 1209 CE MET A 473 2.770 14.425 -9.805 1.00 64.51 C ATOM 0 H MET A 473 5.449 12.808 -13.171 1.00 41.10 H new ATOM 0 HA MET A 473 7.892 14.464 -12.999 1.00 42.42 H new ATOM 0 HB2 MET A 473 6.588 15.969 -11.516 1.00 43.12 H new ATOM 0 HB3 MET A 473 6.021 15.908 -13.173 1.00 43.12 H new ATOM 0 HG2 MET A 473 4.049 15.983 -11.930 1.00 72.30 H new ATOM 0 HG3 MET A 473 4.202 14.285 -12.333 1.00 72.30 H new ATOM 0 HE1 MET A 473 2.551 14.157 -8.771 1.00 64.51 H new ATOM 0 HE2 MET A 473 2.248 15.347 -10.059 1.00 64.51 H new ATOM 0 HE3 MET A 473 2.436 13.625 -10.466 1.00 64.51 H new ATOM 1219 N LYS A 474 7.572 12.033 -11.212 1.00 40.43 N ATOM 1220 CA LYS A 474 8.063 11.290 -10.000 1.00 32.22 C ATOM 1221 C LYS A 474 9.027 10.159 -10.451 1.00 21.33 C ATOM 1222 O LYS A 474 8.928 9.702 -11.593 1.00 23.22 O ATOM 1223 CB LYS A 474 6.911 10.649 -9.115 1.00 31.55 C ATOM 1224 CG LYS A 474 5.739 11.555 -8.570 1.00 43.33 C ATOM 1225 CD LYS A 474 6.011 12.346 -7.230 1.00 0.22 C ATOM 1226 CE LYS A 474 7.375 13.064 -7.120 1.00 33.12 C ATOM 1227 NZ LYS A 474 7.447 13.911 -5.892 1.00 21.02 N ATOM 0 H LYS A 474 7.321 11.440 -12.003 1.00 40.43 H new ATOM 0 HA LYS A 474 8.563 12.030 -9.375 1.00 32.22 H new ATOM 0 HB2 LYS A 474 6.457 9.850 -9.702 1.00 31.55 H new ATOM 0 HB3 LYS A 474 7.387 10.181 -8.253 1.00 31.55 H new ATOM 0 HG2 LYS A 474 5.481 12.278 -9.344 1.00 43.33 H new ATOM 0 HG3 LYS A 474 4.864 10.923 -8.419 1.00 43.33 H new ATOM 0 HD2 LYS A 474 5.223 13.089 -7.106 1.00 0.22 H new ATOM 0 HD3 LYS A 474 5.925 11.648 -6.398 1.00 0.22 H new ATOM 0 HE2 LYS A 474 8.176 12.325 -7.102 1.00 33.12 H new ATOM 0 HE3 LYS A 474 7.533 13.685 -8.002 1.00 33.12 H new ATOM 0 HZ1 LYS A 474 8.374 14.379 -5.847 1.00 21.02 H new ATOM 0 HZ2 LYS A 474 6.697 14.631 -5.922 1.00 21.02 H new ATOM 0 HZ3 LYS A 474 7.320 13.314 -5.050 1.00 21.02 H new ATOM 1241 N ARG A 475 9.954 9.698 -9.577 1.00 74.10 N ATOM 1242 CA ARG A 475 10.841 8.560 -9.936 1.00 34.42 C ATOM 1243 C ARG A 475 10.600 7.381 -8.979 1.00 23.31 C ATOM 1244 O ARG A 475 10.315 7.598 -7.795 1.00 35.20 O ATOM 1245 CB ARG A 475 12.358 8.959 -9.933 1.00 63.42 C ATOM 1246 CG ARG A 475 12.938 9.557 -8.611 1.00 44.32 C ATOM 1247 CD ARG A 475 12.685 11.070 -8.426 1.00 41.43 C ATOM 1248 NE ARG A 475 13.831 11.859 -8.883 1.00 63.42 N ATOM 1249 CZ ARG A 475 13.762 13.084 -9.425 1.00 70.34 C ATOM 1250 NH1 ARG A 475 12.593 13.695 -9.606 1.00 21.41 N ATOM 1251 NH2 ARG A 475 14.869 13.697 -9.786 1.00 35.45 N ATOM 0 H ARG A 475 10.107 10.082 -8.644 1.00 74.10 H new ATOM 0 HA ARG A 475 10.590 8.263 -10.954 1.00 34.42 H new ATOM 0 HB2 ARG A 475 12.940 8.073 -10.187 1.00 63.42 H new ATOM 0 HB3 ARG A 475 12.518 9.685 -10.730 1.00 63.42 H new ATOM 0 HG2 ARG A 475 12.505 9.023 -7.765 1.00 44.32 H new ATOM 0 HG3 ARG A 475 14.013 9.376 -8.586 1.00 44.32 H new ATOM 0 HD2 ARG A 475 11.794 11.363 -8.981 1.00 41.43 H new ATOM 0 HD3 ARG A 475 12.490 11.283 -7.375 1.00 41.43 H new ATOM 0 HE ARG A 475 14.757 11.443 -8.781 1.00 63.42 H new ATOM 0 HH11 ARG A 475 11.727 13.231 -9.331 1.00 21.41 H new ATOM 0 HH12 ARG A 475 12.563 14.627 -10.020 1.00 21.41 H new ATOM 0 HH21 ARG A 475 15.771 13.240 -9.653 1.00 35.45 H new ATOM 0 HH22 ARG A 475 14.825 14.629 -10.199 1.00 35.45 H new ATOM 1265 N LEU A 476 10.714 6.133 -9.479 1.00 14.13 N ATOM 1266 CA LEU A 476 10.442 4.956 -8.610 1.00 22.44 C ATOM 1267 C LEU A 476 11.786 4.521 -7.925 1.00 24.53 C ATOM 1268 O LEU A 476 12.667 4.051 -8.622 1.00 74.35 O ATOM 1269 CB LEU A 476 9.819 3.739 -9.442 1.00 71.03 C ATOM 1270 CG LEU A 476 8.369 3.831 -10.088 1.00 23.04 C ATOM 1271 CD1 LEU A 476 7.293 4.104 -9.054 1.00 15.22 C ATOM 1272 CD2 LEU A 476 8.282 4.871 -11.206 1.00 44.42 C ATOM 0 H LEU A 476 10.981 5.912 -10.438 1.00 14.13 H new ATOM 0 HA LEU A 476 9.707 5.235 -7.855 1.00 22.44 H new ATOM 0 HB2 LEU A 476 10.514 3.521 -10.253 1.00 71.03 H new ATOM 0 HB3 LEU A 476 9.817 2.872 -8.782 1.00 71.03 H new ATOM 0 HG LEU A 476 8.190 2.849 -10.525 1.00 23.04 H new ATOM 0 HD11 LEU A 476 6.322 4.158 -9.545 1.00 15.22 H new ATOM 0 HD12 LEU A 476 7.283 3.300 -8.318 1.00 15.22 H new ATOM 0 HD13 LEU A 476 7.500 5.051 -8.555 1.00 15.22 H new ATOM 0 HD21 LEU A 476 7.269 4.889 -11.609 1.00 44.42 H new ATOM 0 HD22 LEU A 476 8.531 5.855 -10.808 1.00 44.42 H new ATOM 0 HD23 LEU A 476 8.983 4.612 -11.999 1.00 44.42 H new ATOM 1284 N LYS A 477 11.990 4.712 -6.579 1.00 23.41 N ATOM 1285 CA LYS A 477 13.258 4.248 -5.913 1.00 11.23 C ATOM 1286 C LYS A 477 12.987 3.039 -4.956 1.00 55.12 C ATOM 1287 O LYS A 477 12.232 3.199 -3.998 1.00 41.33 O ATOM 1288 CB LYS A 477 13.905 5.440 -5.143 1.00 33.13 C ATOM 1289 CG LYS A 477 15.314 5.841 -5.628 1.00 61.23 C ATOM 1290 CD LYS A 477 16.359 4.748 -5.357 1.00 21.44 C ATOM 1291 CE LYS A 477 17.673 5.013 -6.098 1.00 43.01 C ATOM 1292 NZ LYS A 477 18.191 6.386 -5.844 1.00 15.42 N ATOM 0 H LYS A 477 11.322 5.165 -5.955 1.00 23.41 H new ATOM 0 HA LYS A 477 13.952 3.901 -6.679 1.00 11.23 H new ATOM 0 HB2 LYS A 477 13.248 6.306 -5.226 1.00 33.13 H new ATOM 0 HB3 LYS A 477 13.961 5.182 -4.085 1.00 33.13 H new ATOM 0 HG2 LYS A 477 15.281 6.052 -6.697 1.00 61.23 H new ATOM 0 HG3 LYS A 477 15.618 6.762 -5.131 1.00 61.23 H new ATOM 0 HD2 LYS A 477 16.552 4.689 -4.286 1.00 21.44 H new ATOM 0 HD3 LYS A 477 15.959 3.781 -5.662 1.00 21.44 H new ATOM 0 HE2 LYS A 477 18.418 4.281 -5.787 1.00 43.01 H new ATOM 0 HE3 LYS A 477 17.519 4.876 -7.168 1.00 43.01 H new ATOM 0 HZ1 LYS A 477 19.157 6.468 -6.221 1.00 15.42 H new ATOM 0 HZ2 LYS A 477 17.576 7.081 -6.313 1.00 15.42 H new ATOM 0 HZ3 LYS A 477 18.203 6.569 -4.820 1.00 15.42 H new ATOM 1306 N VAL A 478 13.596 1.824 -5.199 1.00 72.13 N ATOM 1307 CA VAL A 478 13.077 0.548 -4.632 1.00 43.15 C ATOM 1308 C VAL A 478 14.242 -0.423 -4.186 1.00 24.24 C ATOM 1309 O VAL A 478 15.307 -0.389 -4.820 1.00 72.50 O ATOM 1310 CB VAL A 478 12.152 -0.089 -5.717 1.00 51.23 C ATOM 1311 CG1 VAL A 478 12.046 -1.596 -5.627 1.00 0.30 C ATOM 1312 CG2 VAL A 478 10.748 0.495 -5.661 1.00 25.14 C ATOM 0 H VAL A 478 14.431 1.715 -5.775 1.00 72.13 H new ATOM 0 HA VAL A 478 12.510 0.738 -3.720 1.00 43.15 H new ATOM 0 HB VAL A 478 12.632 0.155 -6.665 1.00 51.23 H new ATOM 0 HG11 VAL A 478 11.386 -1.962 -6.414 1.00 0.30 H new ATOM 0 HG12 VAL A 478 13.035 -2.038 -5.748 1.00 0.30 H new ATOM 0 HG13 VAL A 478 11.640 -1.875 -4.655 1.00 0.30 H new ATOM 0 HG21 VAL A 478 10.130 0.030 -6.429 1.00 25.14 H new ATOM 0 HG22 VAL A 478 10.313 0.303 -4.680 1.00 25.14 H new ATOM 0 HG23 VAL A 478 10.794 1.570 -5.834 1.00 25.14 H new ATOM 1322 N GLN A 479 14.059 -1.288 -3.114 1.00 4.04 N ATOM 1323 CA GLN A 479 15.127 -2.266 -2.692 1.00 54.11 C ATOM 1324 C GLN A 479 14.593 -3.507 -1.918 1.00 11.10 C ATOM 1325 O GLN A 479 13.420 -3.536 -1.534 1.00 1.51 O ATOM 1326 CB GLN A 479 16.214 -1.529 -1.869 1.00 61.40 C ATOM 1327 CG GLN A 479 17.643 -2.004 -2.130 1.00 54.30 C ATOM 1328 CD GLN A 479 18.562 -0.864 -2.514 1.00 51.11 C ATOM 1329 OE1 GLN A 479 19.171 -0.228 -1.660 1.00 62.33 O ATOM 1330 NE2 GLN A 479 18.665 -0.597 -3.811 1.00 3.50 N ATOM 0 H GLN A 479 13.210 -1.323 -2.550 1.00 4.04 H new ATOM 0 HA GLN A 479 15.556 -2.667 -3.610 1.00 54.11 H new ATOM 0 HB2 GLN A 479 16.155 -0.463 -2.086 1.00 61.40 H new ATOM 0 HB3 GLN A 479 15.993 -1.651 -0.809 1.00 61.40 H new ATOM 0 HG2 GLN A 479 18.030 -2.496 -1.237 1.00 54.30 H new ATOM 0 HG3 GLN A 479 17.637 -2.748 -2.926 1.00 54.30 H new ATOM 0 HE21 GLN A 479 18.141 -1.151 -4.489 1.00 3.50 H new ATOM 0 HE22 GLN A 479 19.268 0.162 -4.129 1.00 3.50 H new ATOM 1339 N LEU A 480 15.481 -4.551 -1.712 1.00 72.44 N ATOM 1340 CA LEU A 480 15.138 -5.703 -0.751 1.00 71.41 C ATOM 1341 C LEU A 480 15.104 -5.068 0.662 1.00 34.13 C ATOM 1342 O LEU A 480 15.701 -3.992 0.819 1.00 64.01 O ATOM 1343 CB LEU A 480 16.165 -6.942 -0.704 1.00 40.00 C ATOM 1344 CG LEU A 480 16.004 -8.261 -1.614 1.00 51.25 C ATOM 1345 CD1 LEU A 480 16.184 -7.957 -3.097 1.00 70.21 C ATOM 1346 CD2 LEU A 480 17.078 -9.268 -1.189 1.00 50.14 C ATOM 0 H LEU A 480 16.392 -4.629 -2.165 1.00 72.44 H new ATOM 0 HA LEU A 480 14.202 -6.137 -1.104 1.00 71.41 H new ATOM 0 HB2 LEU A 480 17.151 -6.533 -0.927 1.00 40.00 H new ATOM 0 HB3 LEU A 480 16.188 -7.283 0.331 1.00 40.00 H new ATOM 0 HG LEU A 480 14.998 -8.656 -1.471 1.00 51.25 H new ATOM 0 HD11 LEU A 480 16.067 -8.875 -3.673 1.00 70.21 H new ATOM 0 HD12 LEU A 480 15.434 -7.232 -3.413 1.00 70.21 H new ATOM 0 HD13 LEU A 480 17.180 -7.547 -3.266 1.00 70.21 H new ATOM 0 HD21 LEU A 480 16.989 -10.171 -1.792 1.00 50.14 H new ATOM 0 HD22 LEU A 480 18.065 -8.830 -1.335 1.00 50.14 H new ATOM 0 HD23 LEU A 480 16.945 -9.520 -0.137 1.00 50.14 H new ATOM 1358 N LYS A 481 14.365 -5.658 1.657 1.00 13.32 N ATOM 1359 CA LYS A 481 14.286 -5.061 3.030 1.00 70.34 C ATOM 1360 C LYS A 481 15.684 -4.813 3.597 1.00 60.21 C ATOM 1361 O LYS A 481 16.416 -5.740 3.929 1.00 54.11 O ATOM 1362 CB LYS A 481 13.440 -5.973 4.019 1.00 22.12 C ATOM 1363 CG LYS A 481 13.551 -5.679 5.577 1.00 61.22 C ATOM 1364 CD LYS A 481 14.611 -6.512 6.353 1.00 55.12 C ATOM 1365 CE LYS A 481 13.989 -7.330 7.513 1.00 43.14 C ATOM 1366 NZ LYS A 481 13.428 -6.481 8.622 1.00 14.31 N ATOM 0 H LYS A 481 13.832 -6.519 1.539 1.00 13.32 H new ATOM 0 HA LYS A 481 13.772 -4.104 2.939 1.00 70.34 H new ATOM 0 HB2 LYS A 481 12.391 -5.889 3.736 1.00 22.12 H new ATOM 0 HB3 LYS A 481 13.733 -7.009 3.852 1.00 22.12 H new ATOM 0 HG2 LYS A 481 13.779 -4.622 5.712 1.00 61.22 H new ATOM 0 HG3 LYS A 481 12.576 -5.856 6.031 1.00 61.22 H new ATOM 0 HD2 LYS A 481 15.112 -7.190 5.662 1.00 55.12 H new ATOM 0 HD3 LYS A 481 15.373 -5.843 6.752 1.00 55.12 H new ATOM 0 HE2 LYS A 481 13.195 -7.962 7.115 1.00 43.14 H new ATOM 0 HE3 LYS A 481 14.749 -7.994 7.925 1.00 43.14 H new ATOM 0 HZ1 LYS A 481 13.030 -7.094 9.361 1.00 14.31 H new ATOM 0 HZ2 LYS A 481 14.186 -5.896 9.029 1.00 14.31 H new ATOM 0 HZ3 LYS A 481 12.680 -5.865 8.243 1.00 14.31 H new ATOM 1380 N ARG A 482 16.080 -3.553 3.601 1.00 24.12 N ATOM 1381 CA ARG A 482 17.273 -3.172 4.291 1.00 41.40 C ATOM 1382 C ARG A 482 16.894 -2.368 5.563 1.00 24.34 C ATOM 1383 O ARG A 482 16.325 -1.277 5.453 1.00 50.20 O ATOM 1384 CB ARG A 482 18.275 -2.491 3.265 1.00 51.11 C ATOM 1385 CG ARG A 482 18.050 -1.038 2.750 1.00 70.51 C ATOM 1386 CD ARG A 482 16.678 -0.721 2.110 1.00 21.22 C ATOM 1387 NE ARG A 482 16.710 0.595 1.463 1.00 51.05 N ATOM 1388 CZ ARG A 482 16.282 1.737 2.017 1.00 31.42 C ATOM 1389 NH1 ARG A 482 15.807 1.755 3.260 1.00 1.35 N ATOM 1390 NH2 ARG A 482 16.354 2.867 1.329 1.00 63.31 N ATOM 0 H ARG A 482 15.589 -2.790 3.135 1.00 24.12 H new ATOM 0 HA ARG A 482 17.833 -4.024 4.678 1.00 41.40 H new ATOM 0 HB2 ARG A 482 19.263 -2.515 3.724 1.00 51.11 H new ATOM 0 HB3 ARG A 482 18.316 -3.136 2.387 1.00 51.11 H new ATOM 0 HG2 ARG A 482 18.198 -0.356 3.587 1.00 70.51 H new ATOM 0 HG3 ARG A 482 18.825 -0.816 2.016 1.00 70.51 H new ATOM 0 HD2 ARG A 482 16.425 -1.488 1.378 1.00 21.22 H new ATOM 0 HD3 ARG A 482 15.900 -0.740 2.873 1.00 21.22 H new ATOM 0 HE ARG A 482 17.088 0.644 0.517 1.00 51.05 H new ATOM 0 HH11 ARG A 482 15.766 0.892 3.803 1.00 1.35 H new ATOM 0 HH12 ARG A 482 15.484 2.631 3.670 1.00 1.35 H new ATOM 0 HH21 ARG A 482 16.734 2.864 0.382 1.00 63.31 H new ATOM 0 HH22 ARG A 482 16.030 3.740 1.746 1.00 63.31 H new ATOM 1404 N SER A 483 17.121 -2.987 6.774 1.00 61.51 N ATOM 1405 CA SER A 483 16.946 -2.351 8.104 1.00 22.15 C ATOM 1406 C SER A 483 15.454 -2.244 8.586 1.00 35.13 C ATOM 1407 O SER A 483 15.178 -2.676 9.708 1.00 63.20 O ATOM 1408 CB SER A 483 17.745 -1.018 8.239 1.00 24.04 C ATOM 1409 OG SER A 483 19.149 -1.263 8.171 1.00 5.02 O ATOM 0 H SER A 483 17.435 -3.955 6.838 1.00 61.51 H new ATOM 0 HA SER A 483 17.396 -3.047 8.812 1.00 22.15 H new ATOM 0 HB2 SER A 483 17.452 -0.330 7.446 1.00 24.04 H new ATOM 0 HB3 SER A 483 17.500 -0.536 9.185 1.00 24.04 H new ATOM 0 HG SER A 483 19.633 -0.415 8.256 1.00 5.02 H new