USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 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 Set 1.1: A 477 LYS NZ :NH3+ 153:sc= 0.512 (180deg=-0.177) USER MOD Set 1.2: A 479 GLN : amide:sc= 0.48 K(o=0.99,f=-0.74) USER MOD Set 2.1: A 453 TYR OH : rot 176:sc= 0.165 USER MOD Set 2.2: A 458 SER OG : rot -39:sc= 0.138 USER MOD Single : A 398 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.6) USER MOD Single : A 399 LYS NZ :NH3+ -160:sc= -0.173 (180deg=-0.669) USER MOD Single : A 406 ASN : amide:sc= -1.83! C(o=-1.8!,f=-6.6!) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.0093) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.1) USER MOD Single : A 423 GLN :FLIP amide:sc= -0.126 F(o=-1.4!,f=-0.13) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -153:sc= -0.497 (180deg=-1.47!) USER MOD Single : A 430 ASN : amide:sc= 0.395 K(o=0.39,f=-0.3) USER MOD Single : A 433 SER OG : rot -155:sc= -0.628 USER MOD Single : A 435 LYS NZ :NH3+ -117:sc= -0.197 (180deg=-0.414) USER MOD Single : A 452 SER OG : rot -60:sc= -0.038 USER MOD Single : A 455 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.34) USER MOD Single : A 460 GLN : amide:sc= -0.021 K(o=-0.021,f=-1.2!) USER MOD Single : A 464 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.6!) USER MOD Single : A 466 MET CE :methyl 150:sc= -0.243 (180deg=-1.97!) USER MOD Single : A 467 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.4!) USER MOD Single : A 470 GLN :FLIP amide:sc= 0 F(o=-0.67,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 481 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0836) USER MOD Single : A 483 SER OG : rot 180:sc=6.53e-05 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.526 -6.455 7.067 1.00 3.45 N ATOM 57 CA GLN A 398 -1.688 -6.176 5.892 1.00 24.43 C ATOM 58 C GLN A 398 -0.699 -7.321 5.672 1.00 2.45 C ATOM 59 O GLN A 398 0.018 -7.712 6.595 1.00 41.02 O ATOM 60 CB GLN A 398 -0.912 -4.802 6.016 1.00 34.14 C ATOM 61 CG GLN A 398 -0.042 -4.574 7.325 1.00 12.22 C ATOM 62 CD GLN A 398 -0.845 -4.318 8.611 1.00 71.22 C ATOM 63 OE1 GLN A 398 -1.944 -3.756 8.571 1.00 11.13 O ATOM 64 NE2 GLN A 398 -0.285 -4.731 9.763 1.00 21.31 N ATOM 0 HA GLN A 398 -2.353 -6.093 5.032 1.00 24.43 H new ATOM 0 HB2 GLN A 398 -0.254 -4.707 5.152 1.00 34.14 H new ATOM 0 HB3 GLN A 398 -1.642 -3.995 5.951 1.00 34.14 H new ATOM 0 HG2 GLN A 398 0.589 -5.449 7.479 1.00 12.22 H new ATOM 0 HG3 GLN A 398 0.623 -3.727 7.157 1.00 12.22 H new ATOM 0 HE21 GLN A 398 0.625 -5.191 9.751 1.00 21.31 H new ATOM 0 HE22 GLN A 398 -0.771 -4.584 10.648 1.00 21.31 H new ATOM 73 N LYS A 399 -0.692 -7.884 4.468 1.00 11.01 N ATOM 74 CA LYS A 399 0.245 -8.980 4.179 1.00 63.53 C ATOM 75 C LYS A 399 1.478 -8.355 3.495 1.00 21.52 C ATOM 76 O LYS A 399 1.432 -8.008 2.307 1.00 61.21 O ATOM 77 CB LYS A 399 -0.528 -10.057 3.306 1.00 20.32 C ATOM 78 CG LYS A 399 0.187 -11.314 2.677 1.00 52.01 C ATOM 79 CD LYS A 399 1.083 -12.147 3.627 1.00 74.23 C ATOM 80 CE LYS A 399 1.496 -13.475 2.968 1.00 34.40 C ATOM 81 NZ LYS A 399 0.318 -14.309 2.565 1.00 35.52 N ATOM 0 H LYS A 399 -1.301 -7.616 3.695 1.00 11.01 H new ATOM 0 HA LYS A 399 0.606 -9.504 5.064 1.00 63.53 H new ATOM 0 HB2 LYS A 399 -1.338 -10.439 3.928 1.00 20.32 H new ATOM 0 HB3 LYS A 399 -0.989 -9.515 2.480 1.00 20.32 H new ATOM 0 HG2 LYS A 399 -0.579 -11.972 2.266 1.00 52.01 H new ATOM 0 HG3 LYS A 399 0.799 -10.976 1.841 1.00 52.01 H new ATOM 0 HD2 LYS A 399 1.973 -11.574 3.889 1.00 74.23 H new ATOM 0 HD3 LYS A 399 0.548 -12.348 4.555 1.00 74.23 H new ATOM 0 HE2 LYS A 399 2.106 -13.266 2.089 1.00 34.40 H new ATOM 0 HE3 LYS A 399 2.118 -14.042 3.661 1.00 34.40 H new ATOM 0 HZ1 LYS A 399 0.617 -15.298 2.448 1.00 35.52 H new ATOM 0 HZ2 LYS A 399 -0.415 -14.253 3.301 1.00 35.52 H new ATOM 0 HZ3 LYS A 399 -0.067 -13.955 1.666 1.00 35.52 H new ATOM 95 N GLU A 400 2.573 -8.177 4.276 1.00 14.30 N ATOM 96 CA GLU A 400 3.908 -7.959 3.691 1.00 54.25 C ATOM 97 C GLU A 400 4.437 -9.322 3.183 1.00 1.31 C ATOM 98 O GLU A 400 4.066 -10.342 3.785 1.00 11.13 O ATOM 99 CB GLU A 400 4.862 -7.254 4.740 1.00 41.25 C ATOM 100 CG GLU A 400 4.958 -7.889 6.150 1.00 34.20 C ATOM 101 CD GLU A 400 5.983 -7.190 7.030 1.00 43.42 C ATOM 102 OE1 GLU A 400 5.761 -6.014 7.406 1.00 72.42 O ATOM 103 OE2 GLU A 400 7.008 -7.826 7.356 1.00 33.22 O ATOM 0 H GLU A 400 2.554 -8.181 5.296 1.00 14.30 H new ATOM 0 HA GLU A 400 3.863 -7.280 2.840 1.00 54.25 H new ATOM 0 HB2 GLU A 400 5.865 -7.222 4.315 1.00 41.25 H new ATOM 0 HB3 GLU A 400 4.532 -6.222 4.856 1.00 41.25 H new ATOM 0 HG2 GLU A 400 3.981 -7.848 6.632 1.00 34.20 H new ATOM 0 HG3 GLU A 400 5.222 -8.942 6.054 1.00 34.20 H new ATOM 110 N GLY A 401 5.198 -9.370 2.021 1.00 20.34 N ATOM 111 CA GLY A 401 5.719 -10.633 1.481 1.00 11.41 C ATOM 112 C GLY A 401 6.334 -11.673 2.463 1.00 54.51 C ATOM 113 O GLY A 401 6.731 -11.339 3.581 1.00 71.23 O ATOM 0 H GLY A 401 5.444 -8.547 1.471 1.00 20.34 H new ATOM 0 HA2 GLY A 401 4.905 -11.124 0.948 1.00 11.41 H new ATOM 0 HA3 GLY A 401 6.481 -10.386 0.742 1.00 11.41 H new ATOM 117 N PRO A 402 6.438 -12.969 2.049 1.00 12.44 N ATOM 118 CA PRO A 402 6.896 -14.055 2.900 1.00 61.32 C ATOM 119 C PRO A 402 8.397 -14.061 3.139 1.00 1.31 C ATOM 120 O PRO A 402 9.115 -13.149 2.721 1.00 31.44 O ATOM 121 CB PRO A 402 6.469 -15.318 2.159 1.00 52.32 C ATOM 122 CG PRO A 402 6.485 -14.942 0.741 1.00 51.42 C ATOM 123 CD PRO A 402 6.133 -13.489 0.699 1.00 73.23 C ATOM 0 HA PRO A 402 6.467 -13.962 3.898 1.00 61.32 H new ATOM 0 HB2 PRO A 402 7.153 -16.144 2.357 1.00 52.32 H new ATOM 0 HB3 PRO A 402 5.477 -15.644 2.471 1.00 52.32 H new ATOM 0 HG2 PRO A 402 7.466 -15.119 0.301 1.00 51.42 H new ATOM 0 HG3 PRO A 402 5.769 -15.534 0.172 1.00 51.42 H new ATOM 0 HD2 PRO A 402 6.712 -12.967 -0.063 1.00 73.23 H new ATOM 0 HD3 PRO A 402 5.081 -13.347 0.452 1.00 73.23 H new ATOM 131 N GLU A 403 8.791 -15.097 3.880 1.00 30.42 N ATOM 132 CA GLU A 403 10.162 -15.451 4.250 1.00 34.41 C ATOM 133 C GLU A 403 11.283 -14.986 3.228 1.00 52.34 C ATOM 134 O GLU A 403 11.434 -15.595 2.166 1.00 12.23 O ATOM 135 CB GLU A 403 10.026 -17.005 4.255 1.00 51.20 C ATOM 136 CG GLU A 403 10.363 -17.628 5.596 1.00 3.31 C ATOM 137 CD GLU A 403 9.878 -19.060 5.738 1.00 3.12 C ATOM 138 OE1 GLU A 403 8.652 -19.253 5.920 1.00 52.24 O ATOM 139 OE2 GLU A 403 10.717 -19.987 5.696 1.00 30.01 O ATOM 0 H GLU A 403 8.114 -15.756 4.264 1.00 30.42 H new ATOM 0 HA GLU A 403 10.490 -14.974 5.174 1.00 34.41 H new ATOM 0 HB2 GLU A 403 9.006 -17.275 3.982 1.00 51.20 H new ATOM 0 HB3 GLU A 403 10.682 -17.424 3.492 1.00 51.20 H new ATOM 0 HG2 GLU A 403 11.443 -17.603 5.738 1.00 3.31 H new ATOM 0 HG3 GLU A 403 9.923 -17.024 6.389 1.00 3.31 H new ATOM 146 N GLY A 404 12.042 -13.865 3.539 1.00 1.30 N ATOM 147 CA GLY A 404 13.290 -13.557 2.850 1.00 31.52 C ATOM 148 C GLY A 404 13.214 -12.361 1.924 1.00 42.23 C ATOM 149 O GLY A 404 14.211 -11.661 1.781 1.00 24.45 O ATOM 0 H GLY A 404 11.785 -13.190 4.259 1.00 1.30 H new ATOM 0 HA2 GLY A 404 14.067 -13.377 3.593 1.00 31.52 H new ATOM 0 HA3 GLY A 404 13.597 -14.429 2.273 1.00 31.52 H new ATOM 153 N ALA A 405 12.069 -12.091 1.279 1.00 40.13 N ATOM 154 CA ALA A 405 11.979 -10.856 0.518 1.00 14.10 C ATOM 155 C ALA A 405 10.788 -10.053 0.982 1.00 21.43 C ATOM 156 O ALA A 405 9.675 -10.572 1.030 1.00 33.13 O ATOM 157 CB ALA A 405 11.925 -11.120 -0.981 1.00 11.14 C ATOM 0 H ALA A 405 11.238 -12.682 1.271 1.00 40.13 H new ATOM 0 HA ALA A 405 12.883 -10.274 0.700 1.00 14.10 H new ATOM 0 HB1 ALA A 405 11.858 -10.172 -1.515 1.00 11.14 H new ATOM 0 HB2 ALA A 405 12.827 -11.648 -1.290 1.00 11.14 H new ATOM 0 HB3 ALA A 405 11.051 -11.729 -1.212 1.00 11.14 H new ATOM 163 N ASN A 406 11.000 -8.785 1.296 1.00 61.14 N ATOM 164 CA ASN A 406 9.888 -7.925 1.653 1.00 0.11 C ATOM 165 C ASN A 406 9.983 -6.602 0.822 1.00 50.15 C ATOM 166 O ASN A 406 10.921 -5.838 1.054 1.00 21.44 O ATOM 167 CB ASN A 406 9.897 -7.783 3.216 1.00 63.23 C ATOM 168 CG ASN A 406 8.496 -7.772 3.714 1.00 42.43 C ATOM 169 OD1 ASN A 406 7.789 -6.784 3.567 1.00 61.02 O ATOM 170 ND2 ASN A 406 8.108 -8.870 4.354 1.00 41.14 N ATOM 0 H ASN A 406 11.916 -8.336 1.311 1.00 61.14 H new ATOM 0 HA ASN A 406 8.908 -8.328 1.396 1.00 0.11 H new ATOM 0 HB2 ASN A 406 10.449 -8.609 3.665 1.00 63.23 H new ATOM 0 HB3 ASN A 406 10.406 -6.864 3.507 1.00 63.23 H new ATOM 0 HD21 ASN A 406 7.172 -8.922 4.757 1.00 41.14 H new ATOM 0 HD22 ASN A 406 8.746 -9.661 4.442 1.00 41.14 H new ATOM 177 N LEU A 407 9.072 -6.310 -0.200 1.00 72.31 N ATOM 178 CA LEU A 407 9.506 -5.389 -1.267 1.00 75.21 C ATOM 179 C LEU A 407 8.727 -4.061 -1.152 1.00 61.41 C ATOM 180 O LEU A 407 7.526 -4.041 -1.417 1.00 71.54 O ATOM 181 CB LEU A 407 9.403 -6.185 -2.657 1.00 62.54 C ATOM 182 CG LEU A 407 10.764 -6.684 -3.241 1.00 24.40 C ATOM 183 CD1 LEU A 407 11.633 -5.497 -3.626 1.00 14.21 C ATOM 184 CD2 LEU A 407 11.549 -7.554 -2.260 1.00 0.42 C ATOM 0 H LEU A 407 8.124 -6.677 -0.280 1.00 72.31 H new ATOM 0 HA LEU A 407 10.547 -5.075 -1.185 1.00 75.21 H new ATOM 0 HB2 LEU A 407 8.749 -7.046 -2.517 1.00 62.54 H new ATOM 0 HB3 LEU A 407 8.925 -5.538 -3.393 1.00 62.54 H new ATOM 0 HG LEU A 407 10.519 -7.291 -4.113 1.00 24.40 H new ATOM 0 HD11 LEU A 407 12.579 -5.855 -4.032 1.00 14.21 H new ATOM 0 HD12 LEU A 407 11.119 -4.898 -4.378 1.00 14.21 H new ATOM 0 HD13 LEU A 407 11.825 -4.885 -2.744 1.00 14.21 H new ATOM 0 HD21 LEU A 407 12.484 -7.870 -2.722 1.00 0.42 H new ATOM 0 HD22 LEU A 407 11.765 -6.981 -1.358 1.00 0.42 H new ATOM 0 HD23 LEU A 407 10.958 -8.432 -1.999 1.00 0.42 H new ATOM 196 N PHE A 408 9.417 -2.926 -0.738 1.00 51.53 N ATOM 197 CA PHE A 408 8.659 -1.700 -0.340 1.00 25.44 C ATOM 198 C PHE A 408 8.605 -0.622 -1.455 1.00 32.52 C ATOM 199 O PHE A 408 9.644 -0.019 -1.740 1.00 65.51 O ATOM 200 CB PHE A 408 9.309 -1.007 0.897 1.00 4.14 C ATOM 201 CG PHE A 408 9.441 -1.758 2.212 1.00 13.21 C ATOM 202 CD1 PHE A 408 9.799 -3.096 2.285 1.00 51.11 C ATOM 203 CD2 PHE A 408 9.272 -1.072 3.398 1.00 5.55 C ATOM 204 CE1 PHE A 408 9.979 -3.722 3.486 1.00 73.41 C ATOM 205 CE2 PHE A 408 9.446 -1.701 4.613 1.00 15.43 C ATOM 206 CZ PHE A 408 9.797 -3.031 4.656 1.00 2.33 C ATOM 0 H PHE A 408 10.432 -2.849 -0.678 1.00 51.53 H new ATOM 0 HA PHE A 408 7.654 -2.061 -0.123 1.00 25.44 H new ATOM 0 HB2 PHE A 408 10.310 -0.693 0.602 1.00 4.14 H new ATOM 0 HB3 PHE A 408 8.737 -0.101 1.098 1.00 4.14 H new ATOM 0 HD1 PHE A 408 9.939 -3.656 1.372 1.00 51.11 H new ATOM 0 HD2 PHE A 408 8.999 -0.027 3.374 1.00 5.55 H new ATOM 0 HE1 PHE A 408 10.265 -4.763 3.514 1.00 73.41 H new ATOM 0 HE2 PHE A 408 9.307 -1.150 5.531 1.00 15.43 H new ATOM 0 HZ PHE A 408 9.928 -3.528 5.606 1.00 2.33 H new ATOM 216 N ILE A 409 7.403 -0.334 -2.054 1.00 34.32 N ATOM 217 CA ILE A 409 7.300 0.798 -3.043 1.00 25.30 C ATOM 218 C ILE A 409 6.600 2.021 -2.424 1.00 50.13 C ATOM 219 O ILE A 409 5.551 1.903 -1.781 1.00 31.35 O ATOM 220 CB ILE A 409 6.568 0.436 -4.396 1.00 44.10 C ATOM 221 CG1 ILE A 409 6.344 -1.084 -4.599 1.00 23.34 C ATOM 222 CG2 ILE A 409 7.400 0.984 -5.603 1.00 42.13 C ATOM 223 CD1 ILE A 409 4.892 -1.485 -4.821 1.00 32.40 C ATOM 0 H ILE A 409 6.534 -0.839 -1.883 1.00 34.32 H new ATOM 0 HA ILE A 409 8.337 1.025 -3.290 1.00 25.30 H new ATOM 0 HB ILE A 409 5.584 0.901 -4.343 1.00 44.10 H new ATOM 0 HG12 ILE A 409 6.934 -1.414 -5.454 1.00 23.34 H new ATOM 0 HG13 ILE A 409 6.725 -1.614 -3.726 1.00 23.34 H new ATOM 0 HG21 ILE A 409 6.895 0.734 -6.536 1.00 42.13 H new ATOM 0 HG22 ILE A 409 7.493 2.067 -5.519 1.00 42.13 H new ATOM 0 HG23 ILE A 409 8.392 0.533 -5.595 1.00 42.13 H new ATOM 0 HD11 ILE A 409 4.829 -2.565 -4.954 1.00 32.40 H new ATOM 0 HD12 ILE A 409 4.297 -1.190 -3.957 1.00 32.40 H new ATOM 0 HD13 ILE A 409 4.509 -0.987 -5.712 1.00 32.40 H new ATOM 235 N TYR A 410 7.223 3.195 -2.639 1.00 2.52 N ATOM 236 CA TYR A 410 6.751 4.488 -2.087 1.00 42.52 C ATOM 237 C TYR A 410 7.020 5.614 -3.159 1.00 43.34 C ATOM 238 O TYR A 410 7.828 5.353 -4.057 1.00 11.40 O ATOM 239 CB TYR A 410 7.470 4.782 -0.708 1.00 2.33 C ATOM 240 CG TYR A 410 8.938 5.275 -0.775 1.00 61.24 C ATOM 241 CD1 TYR A 410 10.018 4.382 -0.805 1.00 65.00 C ATOM 242 CD2 TYR A 410 9.239 6.640 -0.807 1.00 52.32 C ATOM 243 CE1 TYR A 410 11.327 4.841 -0.878 1.00 44.31 C ATOM 244 CE2 TYR A 410 10.540 7.095 -0.875 1.00 11.22 C ATOM 245 CZ TYR A 410 11.575 6.195 -0.917 1.00 51.44 C ATOM 246 OH TYR A 410 12.876 6.647 -1.006 1.00 62.43 O ATOM 0 H TYR A 410 8.070 3.278 -3.201 1.00 2.52 H new ATOM 0 HA TYR A 410 5.681 4.457 -1.882 1.00 42.52 H new ATOM 0 HB2 TYR A 410 6.885 5.530 -0.173 1.00 2.33 H new ATOM 0 HB3 TYR A 410 7.445 3.870 -0.111 1.00 2.33 H new ATOM 0 HD1 TYR A 410 9.829 3.319 -0.771 1.00 65.00 H new ATOM 0 HD2 TYR A 410 8.432 7.357 -0.778 1.00 52.32 H new ATOM 0 HE1 TYR A 410 12.147 4.139 -0.904 1.00 44.31 H new ATOM 0 HE2 TYR A 410 10.743 8.156 -0.895 1.00 11.22 H new ATOM 0 HH TYR A 410 12.881 7.627 -1.025 1.00 62.43 H new ATOM 256 N HIS A 411 6.320 6.836 -3.123 1.00 51.25 N ATOM 257 CA HIS A 411 6.699 8.021 -3.975 1.00 50.51 C ATOM 258 C HIS A 411 6.268 7.842 -5.445 1.00 60.30 C ATOM 259 O HIS A 411 6.808 8.503 -6.337 1.00 5.33 O ATOM 260 CB HIS A 411 8.208 8.365 -3.920 1.00 72.52 C ATOM 261 CG HIS A 411 8.582 9.461 -2.942 1.00 14.12 C ATOM 262 ND1 HIS A 411 9.849 10.000 -2.911 1.00 61.02 N ATOM 263 CD2 HIS A 411 7.878 10.129 -1.966 1.00 42.03 C ATOM 264 CE1 HIS A 411 9.918 10.933 -1.979 1.00 14.40 C ATOM 265 NE2 HIS A 411 8.740 11.032 -1.394 1.00 51.21 N ATOM 0 H HIS A 411 5.513 7.002 -2.521 1.00 51.25 H new ATOM 0 HA HIS A 411 6.153 8.858 -3.541 1.00 50.51 H new ATOM 0 HB2 HIS A 411 8.761 7.463 -3.660 1.00 72.52 H new ATOM 0 HB3 HIS A 411 8.534 8.662 -4.917 1.00 72.52 H new ATOM 0 HD2 HIS A 411 6.843 9.972 -1.700 1.00 42.03 H new ATOM 0 HE1 HIS A 411 10.793 11.518 -1.736 1.00 14.40 H new ATOM 0 HE2 HIS A 411 8.507 11.676 -0.638 1.00 51.21 H new ATOM 274 N LEU A 412 5.295 6.950 -5.664 1.00 21.34 N ATOM 275 CA LEU A 412 4.690 6.690 -6.990 1.00 21.14 C ATOM 276 C LEU A 412 4.009 7.918 -7.635 1.00 22.34 C ATOM 277 O LEU A 412 3.488 8.805 -6.945 1.00 23.13 O ATOM 278 CB LEU A 412 3.645 5.561 -6.904 1.00 72.22 C ATOM 279 CG LEU A 412 2.874 5.526 -5.587 1.00 1.21 C ATOM 280 CD1 LEU A 412 1.370 5.563 -5.769 1.00 52.51 C ATOM 281 CD2 LEU A 412 3.280 4.311 -4.766 1.00 40.03 C ATOM 0 H LEU A 412 4.896 6.377 -4.920 1.00 21.34 H new ATOM 0 HA LEU A 412 5.532 6.408 -7.623 1.00 21.14 H new ATOM 0 HB2 LEU A 412 2.937 5.673 -7.725 1.00 72.22 H new ATOM 0 HB3 LEU A 412 4.147 4.604 -7.044 1.00 72.22 H new ATOM 0 HG LEU A 412 3.141 6.436 -5.050 1.00 1.21 H new ATOM 0 HD11 LEU A 412 0.885 5.535 -4.793 1.00 52.51 H new ATOM 0 HD12 LEU A 412 1.089 6.479 -6.288 1.00 52.51 H new ATOM 0 HD13 LEU A 412 1.053 4.701 -6.356 1.00 52.51 H new ATOM 0 HD21 LEU A 412 2.721 4.301 -3.830 1.00 40.03 H new ATOM 0 HD22 LEU A 412 3.063 3.403 -5.328 1.00 40.03 H new ATOM 0 HD23 LEU A 412 4.347 4.358 -4.551 1.00 40.03 H new ATOM 293 N PRO A 413 4.062 7.973 -8.989 1.00 71.21 N ATOM 294 CA PRO A 413 3.336 8.926 -9.848 1.00 34.10 C ATOM 295 C PRO A 413 1.802 8.766 -9.849 1.00 14.11 C ATOM 296 O PRO A 413 1.253 7.786 -9.369 1.00 10.41 O ATOM 297 CB PRO A 413 3.926 8.650 -11.228 1.00 2.20 C ATOM 298 CG PRO A 413 4.320 7.240 -11.161 1.00 44.51 C ATOM 299 CD PRO A 413 4.926 7.118 -9.819 1.00 65.34 C ATOM 0 HA PRO A 413 3.463 9.949 -9.494 1.00 34.10 H new ATOM 0 HB2 PRO A 413 3.196 8.825 -12.018 1.00 2.20 H new ATOM 0 HB3 PRO A 413 4.780 9.295 -11.435 1.00 2.20 H new ATOM 0 HG2 PRO A 413 3.462 6.577 -11.277 1.00 44.51 H new ATOM 0 HG3 PRO A 413 5.030 6.983 -11.947 1.00 44.51 H new ATOM 0 HD2 PRO A 413 4.929 6.086 -9.469 1.00 65.34 H new ATOM 0 HD3 PRO A 413 5.961 7.460 -9.810 1.00 65.34 H new ATOM 307 N GLN A 414 1.142 9.763 -10.429 1.00 71.33 N ATOM 308 CA GLN A 414 -0.312 9.985 -10.295 1.00 21.42 C ATOM 309 C GLN A 414 -1.130 9.131 -11.333 1.00 62.21 C ATOM 310 O GLN A 414 -2.351 9.012 -11.199 1.00 23.21 O ATOM 311 CB GLN A 414 -0.505 11.531 -10.409 1.00 34.43 C ATOM 312 CG GLN A 414 -1.667 12.084 -11.274 1.00 40.53 C ATOM 313 CD GLN A 414 -1.244 13.348 -11.996 1.00 23.51 C ATOM 314 OE1 GLN A 414 -1.446 14.456 -11.506 1.00 31.01 O ATOM 315 NE2 GLN A 414 -0.592 13.187 -13.147 1.00 55.21 N ATOM 0 H GLN A 414 1.602 10.457 -11.018 1.00 71.33 H new ATOM 0 HA GLN A 414 -0.708 9.641 -9.339 1.00 21.42 H new ATOM 0 HB2 GLN A 414 -0.632 11.922 -9.399 1.00 34.43 H new ATOM 0 HB3 GLN A 414 0.423 11.950 -10.798 1.00 34.43 H new ATOM 0 HG2 GLN A 414 -1.977 11.332 -11.999 1.00 40.53 H new ATOM 0 HG3 GLN A 414 -2.530 12.292 -10.642 1.00 40.53 H new ATOM 0 HE21 GLN A 414 -0.444 12.250 -13.522 1.00 55.21 H new ATOM 0 HE22 GLN A 414 -0.241 14.001 -13.653 1.00 55.21 H new ATOM 324 N GLU A 415 -0.454 8.513 -12.357 1.00 51.03 N ATOM 325 CA GLU A 415 -1.118 7.470 -13.187 1.00 51.31 C ATOM 326 C GLU A 415 -1.195 6.136 -12.431 1.00 73.14 C ATOM 327 O GLU A 415 -2.204 5.434 -12.523 1.00 60.45 O ATOM 328 CB GLU A 415 -0.457 7.224 -14.594 1.00 51.11 C ATOM 329 CG GLU A 415 1.076 6.975 -14.666 1.00 64.30 C ATOM 330 CD GLU A 415 1.536 6.746 -16.100 1.00 55.21 C ATOM 331 OE1 GLU A 415 1.433 5.598 -16.589 1.00 71.42 O ATOM 332 OE2 GLU A 415 2.000 7.716 -16.736 1.00 24.12 O ATOM 0 H GLU A 415 0.512 8.714 -12.614 1.00 51.03 H new ATOM 0 HA GLU A 415 -2.115 7.867 -13.377 1.00 51.31 H new ATOM 0 HB2 GLU A 415 -0.953 6.365 -15.046 1.00 51.11 H new ATOM 0 HB3 GLU A 415 -0.681 8.088 -15.220 1.00 51.11 H new ATOM 0 HG2 GLU A 415 1.605 7.830 -14.245 1.00 64.30 H new ATOM 0 HG3 GLU A 415 1.334 6.109 -14.057 1.00 64.30 H new ATOM 339 N PHE A 416 -0.144 5.798 -11.684 1.00 53.30 N ATOM 340 CA PHE A 416 -0.115 4.481 -10.969 1.00 31.23 C ATOM 341 C PHE A 416 -0.348 4.620 -9.408 1.00 10.31 C ATOM 342 O PHE A 416 0.594 5.019 -8.729 1.00 32.24 O ATOM 343 CB PHE A 416 1.281 3.825 -11.310 1.00 64.32 C ATOM 344 CG PHE A 416 1.385 2.325 -11.413 1.00 23.13 C ATOM 345 CD1 PHE A 416 0.928 1.630 -12.539 1.00 33.12 C ATOM 346 CD2 PHE A 416 2.074 1.619 -10.431 1.00 54.43 C ATOM 347 CE1 PHE A 416 1.145 0.273 -12.660 1.00 4.35 C ATOM 348 CE2 PHE A 416 2.272 0.260 -10.553 1.00 43.02 C ATOM 349 CZ PHE A 416 1.810 -0.407 -11.668 1.00 60.22 C ATOM 0 H PHE A 416 0.682 6.381 -11.548 1.00 53.30 H new ATOM 0 HA PHE A 416 -0.937 3.849 -11.304 1.00 31.23 H new ATOM 0 HB2 PHE A 416 1.616 4.243 -12.259 1.00 64.32 H new ATOM 0 HB3 PHE A 416 1.991 4.151 -10.550 1.00 64.32 H new ATOM 0 HD1 PHE A 416 0.402 2.160 -13.319 1.00 33.12 H new ATOM 0 HD2 PHE A 416 2.457 2.140 -9.566 1.00 54.43 H new ATOM 0 HE1 PHE A 416 0.792 -0.255 -13.534 1.00 4.35 H new ATOM 0 HE2 PHE A 416 2.789 -0.282 -9.775 1.00 43.02 H new ATOM 0 HZ PHE A 416 1.972 -1.471 -11.762 1.00 60.22 H new ATOM 359 N GLY A 417 -1.588 4.304 -8.840 1.00 41.02 N ATOM 360 CA GLY A 417 -1.764 4.115 -7.379 1.00 43.12 C ATOM 361 C GLY A 417 -1.905 2.619 -6.952 1.00 60.35 C ATOM 362 O GLY A 417 -1.204 1.785 -7.514 1.00 34.21 O ATOM 0 H GLY A 417 -2.444 4.183 -9.382 1.00 41.02 H new ATOM 0 HA2 GLY A 417 -0.912 4.553 -6.860 1.00 43.12 H new ATOM 0 HA3 GLY A 417 -2.650 4.661 -7.055 1.00 43.12 H new ATOM 366 N ASP A 418 -2.799 2.272 -5.969 1.00 64.53 N ATOM 367 CA ASP A 418 -2.709 0.929 -5.281 1.00 43.24 C ATOM 368 C ASP A 418 -3.411 -0.279 -5.943 1.00 41.33 C ATOM 369 O ASP A 418 -2.782 -1.337 -5.965 1.00 52.52 O ATOM 370 CB ASP A 418 -3.062 0.875 -3.771 1.00 3.15 C ATOM 371 CG ASP A 418 -4.355 1.605 -3.387 1.00 51.10 C ATOM 372 OD1 ASP A 418 -5.443 1.235 -3.880 1.00 43.14 O ATOM 373 OD2 ASP A 418 -4.287 2.542 -2.563 1.00 45.43 O ATOM 0 H ASP A 418 -3.559 2.870 -5.644 1.00 64.53 H new ATOM 0 HA ASP A 418 -1.632 0.824 -5.412 1.00 43.24 H new ATOM 0 HB2 ASP A 418 -3.147 -0.169 -3.469 1.00 3.15 H new ATOM 0 HB3 ASP A 418 -2.236 1.305 -3.204 1.00 3.15 H new ATOM 378 N GLN A 419 -4.711 -0.215 -6.433 1.00 73.24 N ATOM 379 CA GLN A 419 -5.355 -1.397 -6.991 1.00 33.23 C ATOM 380 C GLN A 419 -4.606 -1.718 -8.302 1.00 2.52 C ATOM 381 O GLN A 419 -4.309 -2.871 -8.650 1.00 60.43 O ATOM 382 CB GLN A 419 -6.890 -1.173 -7.211 1.00 73.23 C ATOM 383 CG GLN A 419 -7.564 -2.305 -8.000 1.00 74.11 C ATOM 384 CD GLN A 419 -7.567 -2.092 -9.518 1.00 32.22 C ATOM 385 OE1 GLN A 419 -7.648 -0.965 -10.005 1.00 34.50 O ATOM 386 NE2 GLN A 419 -7.448 -3.186 -10.269 1.00 45.44 N ATOM 0 H GLN A 419 -5.285 0.628 -6.438 1.00 73.24 H new ATOM 0 HA GLN A 419 -5.296 -2.241 -6.304 1.00 33.23 H new ATOM 0 HB2 GLN A 419 -7.378 -1.075 -6.241 1.00 73.23 H new ATOM 0 HB3 GLN A 419 -7.040 -0.232 -7.740 1.00 73.23 H new ATOM 0 HG2 GLN A 419 -7.055 -3.243 -7.776 1.00 74.11 H new ATOM 0 HG3 GLN A 419 -8.593 -2.411 -7.656 1.00 74.11 H new ATOM 0 HE21 GLN A 419 -7.384 -4.103 -9.827 1.00 45.44 H new ATOM 0 HE22 GLN A 419 -7.421 -3.106 -11.286 1.00 45.44 H new ATOM 395 N ASP A 420 -4.273 -0.617 -8.970 1.00 51.55 N ATOM 396 CA ASP A 420 -3.514 -0.571 -10.220 1.00 70.24 C ATOM 397 C ASP A 420 -1.989 -0.894 -10.064 1.00 24.12 C ATOM 398 O ASP A 420 -1.341 -1.113 -11.070 1.00 72.54 O ATOM 399 CB ASP A 420 -3.756 0.756 -11.028 1.00 12.42 C ATOM 400 CG ASP A 420 -3.806 2.036 -10.218 1.00 4.15 C ATOM 401 OD1 ASP A 420 -4.475 2.087 -9.159 1.00 43.24 O ATOM 402 OD2 ASP A 420 -3.220 3.013 -10.681 1.00 2.14 O ATOM 0 H ASP A 420 -4.536 0.312 -8.641 1.00 51.55 H new ATOM 0 HA ASP A 420 -3.920 -1.390 -10.814 1.00 70.24 H new ATOM 0 HB2 ASP A 420 -2.965 0.853 -11.772 1.00 12.42 H new ATOM 0 HB3 ASP A 420 -4.695 0.659 -11.572 1.00 12.42 H new ATOM 407 N ILE A 421 -1.389 -0.901 -8.833 1.00 30.22 N ATOM 408 CA ILE A 421 0.003 -1.451 -8.588 1.00 14.45 C ATOM 409 C ILE A 421 0.261 -2.852 -9.222 1.00 13.44 C ATOM 410 O ILE A 421 1.374 -3.147 -9.690 1.00 41.11 O ATOM 411 CB ILE A 421 0.313 -1.450 -7.027 1.00 10.35 C ATOM 412 CG1 ILE A 421 1.402 -0.408 -6.694 1.00 55.34 C ATOM 413 CG2 ILE A 421 0.708 -2.829 -6.406 1.00 32.23 C ATOM 414 CD1 ILE A 421 1.056 0.488 -5.500 1.00 50.43 C ATOM 0 H ILE A 421 -1.838 -0.536 -7.993 1.00 30.22 H new ATOM 0 HA ILE A 421 0.697 -0.785 -9.101 1.00 14.45 H new ATOM 0 HB ILE A 421 -0.641 -1.190 -6.567 1.00 10.35 H new ATOM 0 HG12 ILE A 421 2.338 -0.927 -6.487 1.00 55.34 H new ATOM 0 HG13 ILE A 421 1.572 0.219 -7.569 1.00 55.34 H new ATOM 0 HG21 ILE A 421 0.896 -2.707 -5.339 1.00 32.23 H new ATOM 0 HG22 ILE A 421 -0.105 -3.540 -6.552 1.00 32.23 H new ATOM 0 HG23 ILE A 421 1.609 -3.203 -6.893 1.00 32.23 H new ATOM 0 HD11 ILE A 421 1.868 1.194 -5.327 1.00 50.43 H new ATOM 0 HD12 ILE A 421 0.138 1.036 -5.710 1.00 50.43 H new ATOM 0 HD13 ILE A 421 0.915 -0.128 -4.612 1.00 50.43 H new ATOM 426 N LEU A 422 -0.796 -3.656 -9.282 1.00 3.10 N ATOM 427 CA LEU A 422 -0.780 -4.986 -9.868 1.00 32.23 C ATOM 428 C LEU A 422 -0.582 -4.926 -11.432 1.00 50.25 C ATOM 429 O LEU A 422 -0.169 -5.928 -12.031 1.00 11.53 O ATOM 430 CB LEU A 422 -2.041 -5.821 -9.330 1.00 71.02 C ATOM 431 CG LEU A 422 -2.667 -6.977 -10.181 1.00 25.32 C ATOM 432 CD1 LEU A 422 -3.674 -7.773 -9.368 1.00 72.42 C ATOM 433 CD2 LEU A 422 -3.418 -6.462 -11.400 1.00 4.32 C ATOM 0 H LEU A 422 -1.710 -3.391 -8.914 1.00 3.10 H new ATOM 0 HA LEU A 422 0.093 -5.549 -9.539 1.00 32.23 H new ATOM 0 HB2 LEU A 422 -1.753 -6.251 -8.371 1.00 71.02 H new ATOM 0 HB3 LEU A 422 -2.837 -5.104 -9.132 1.00 71.02 H new ATOM 0 HG LEU A 422 -1.823 -7.594 -10.490 1.00 25.32 H new ATOM 0 HD11 LEU A 422 -4.092 -8.569 -9.985 1.00 72.42 H new ATOM 0 HD12 LEU A 422 -3.178 -8.209 -8.501 1.00 72.42 H new ATOM 0 HD13 LEU A 422 -4.475 -7.113 -9.035 1.00 72.42 H new ATOM 0 HD21 LEU A 422 -3.832 -7.304 -11.955 1.00 4.32 H new ATOM 0 HD22 LEU A 422 -4.227 -5.806 -11.079 1.00 4.32 H new ATOM 0 HD23 LEU A 422 -2.734 -5.906 -12.041 1.00 4.32 H new ATOM 445 N GLN A 423 -0.831 -3.743 -12.089 1.00 71.01 N ATOM 446 CA GLN A 423 -0.677 -3.572 -13.551 1.00 52.31 C ATOM 447 C GLN A 423 0.812 -3.683 -14.020 1.00 43.43 C ATOM 448 O GLN A 423 1.065 -3.851 -15.217 1.00 1.55 O ATOM 449 CB GLN A 423 -1.327 -2.249 -14.025 1.00 30.11 C ATOM 450 CG GLN A 423 -2.857 -2.178 -13.829 1.00 33.05 C ATOM 451 CD GLN A 423 -3.519 -1.114 -14.684 1.00 40.02 C ATOM 452 OE1 GLN A 423 -3.025 -0.917 -15.896 1.00 1.03 O flip ATOM 453 NE2 GLN A 423 -4.500 -0.508 -14.271 1.00 0.30 N flip ATOM 0 H GLN A 423 -1.141 -2.897 -11.611 1.00 71.01 H new ATOM 0 HA GLN A 423 -1.206 -4.399 -14.024 1.00 52.31 H new ATOM 0 HB2 GLN A 423 -0.866 -1.420 -13.488 1.00 30.11 H new ATOM 0 HB3 GLN A 423 -1.102 -2.108 -15.082 1.00 30.11 H new ATOM 0 HG2 GLN A 423 -3.293 -3.149 -14.066 1.00 33.05 H new ATOM 0 HG3 GLN A 423 -3.074 -1.979 -12.780 1.00 33.05 H new ATOM 0 HE21 GLN A 423 -4.852 -0.687 -13.330 1.00 0.30 H new ATOM 0 HE22 GLN A 423 -4.965 0.176 -14.868 1.00 0.30 H new ATOM 462 N MET A 424 1.804 -3.601 -13.091 1.00 54.12 N ATOM 463 CA MET A 424 3.228 -3.846 -13.459 1.00 34.32 C ATOM 464 C MET A 424 3.689 -5.332 -13.310 1.00 22.13 C ATOM 465 O MET A 424 4.213 -5.895 -14.269 1.00 4.42 O ATOM 466 CB MET A 424 4.212 -2.934 -12.673 1.00 53.23 C ATOM 467 CG MET A 424 4.768 -1.723 -13.448 1.00 24.25 C ATOM 468 SD MET A 424 5.871 -2.205 -14.792 1.00 53.45 S ATOM 469 CE MET A 424 6.598 -0.619 -15.207 1.00 10.32 C ATOM 0 H MET A 424 1.652 -3.374 -12.108 1.00 54.12 H new ATOM 0 HA MET A 424 3.262 -3.596 -14.519 1.00 34.32 H new ATOM 0 HB2 MET A 424 3.705 -2.568 -11.780 1.00 53.23 H new ATOM 0 HB3 MET A 424 5.051 -3.542 -12.336 1.00 53.23 H new ATOM 0 HG2 MET A 424 3.938 -1.144 -13.854 1.00 24.25 H new ATOM 0 HG3 MET A 424 5.305 -1.071 -12.759 1.00 24.25 H new ATOM 0 HE1 MET A 424 7.307 -0.747 -16.025 1.00 10.32 H new ATOM 0 HE2 MET A 424 5.813 0.073 -15.512 1.00 10.32 H new ATOM 0 HE3 MET A 424 7.117 -0.218 -14.337 1.00 10.32 H new ATOM 479 N PHE A 425 3.493 -5.966 -12.128 1.00 62.44 N ATOM 480 CA PHE A 425 4.196 -7.231 -11.779 1.00 45.14 C ATOM 481 C PHE A 425 3.538 -8.535 -12.293 1.00 55.22 C ATOM 482 O PHE A 425 4.056 -9.594 -12.002 1.00 33.55 O ATOM 483 CB PHE A 425 4.482 -7.292 -10.255 1.00 1.43 C ATOM 484 CG PHE A 425 5.725 -6.528 -9.833 1.00 0.01 C ATOM 485 CD1 PHE A 425 5.810 -5.147 -10.011 1.00 5.12 C ATOM 486 CD2 PHE A 425 6.828 -7.184 -9.271 1.00 61.52 C ATOM 487 CE1 PHE A 425 6.932 -4.464 -9.660 1.00 61.44 C ATOM 488 CE2 PHE A 425 7.949 -6.485 -8.915 1.00 12.53 C ATOM 489 CZ PHE A 425 8.003 -5.120 -9.103 1.00 40.14 C ATOM 0 H PHE A 425 2.860 -5.628 -11.404 1.00 62.44 H new ATOM 0 HA PHE A 425 5.137 -7.189 -12.328 1.00 45.14 H new ATOM 0 HB2 PHE A 425 3.622 -6.893 -9.717 1.00 1.43 H new ATOM 0 HB3 PHE A 425 4.589 -8.335 -9.956 1.00 1.43 H new ATOM 0 HD1 PHE A 425 4.972 -4.613 -10.434 1.00 5.12 H new ATOM 0 HD2 PHE A 425 6.793 -8.252 -9.117 1.00 61.52 H new ATOM 0 HE1 PHE A 425 6.982 -3.397 -9.820 1.00 61.44 H new ATOM 0 HE2 PHE A 425 8.794 -7.004 -8.486 1.00 12.53 H new ATOM 0 HZ PHE A 425 8.885 -4.568 -8.813 1.00 40.14 H new ATOM 499 N MET A 426 2.413 -8.471 -13.032 1.00 61.31 N ATOM 500 CA MET A 426 1.658 -9.674 -13.421 1.00 64.42 C ATOM 501 C MET A 426 2.295 -10.421 -14.598 1.00 42.13 C ATOM 502 O MET A 426 2.325 -11.645 -14.567 1.00 45.34 O ATOM 503 CB MET A 426 0.193 -9.379 -13.712 1.00 54.41 C ATOM 504 CG MET A 426 -0.704 -9.605 -12.505 1.00 75.30 C ATOM 505 SD MET A 426 -0.700 -11.305 -11.911 1.00 5.34 S ATOM 506 CE MET A 426 -1.832 -11.150 -10.540 1.00 33.14 C ATOM 0 H MET A 426 2.009 -7.598 -13.371 1.00 61.31 H new ATOM 0 HA MET A 426 1.700 -10.329 -12.551 1.00 64.42 H new ATOM 0 HB2 MET A 426 0.094 -8.346 -14.044 1.00 54.41 H new ATOM 0 HB3 MET A 426 -0.144 -10.011 -14.533 1.00 54.41 H new ATOM 0 HG2 MET A 426 -0.385 -8.946 -11.697 1.00 75.30 H new ATOM 0 HG3 MET A 426 -1.724 -9.322 -12.763 1.00 75.30 H new ATOM 0 HE1 MET A 426 -1.604 -11.909 -9.792 1.00 33.14 H new ATOM 0 HE2 MET A 426 -1.731 -10.160 -10.095 1.00 33.14 H new ATOM 0 HE3 MET A 426 -2.854 -11.286 -10.895 1.00 33.14 H new ATOM 516 N PRO A 427 2.816 -9.732 -15.675 1.00 14.44 N ATOM 517 CA PRO A 427 3.628 -10.414 -16.674 1.00 60.53 C ATOM 518 C PRO A 427 5.071 -10.636 -16.202 1.00 45.11 C ATOM 519 O PRO A 427 5.906 -11.124 -16.968 1.00 32.14 O ATOM 520 CB PRO A 427 3.563 -9.509 -17.921 1.00 53.44 C ATOM 521 CG PRO A 427 2.742 -8.319 -17.560 1.00 1.52 C ATOM 522 CD PRO A 427 2.610 -8.311 -16.065 1.00 2.20 C ATOM 0 HA PRO A 427 3.252 -11.417 -16.878 1.00 60.53 H new ATOM 0 HB2 PRO A 427 4.564 -9.207 -18.229 1.00 53.44 H new ATOM 0 HB3 PRO A 427 3.118 -10.043 -18.761 1.00 53.44 H new ATOM 0 HG2 PRO A 427 3.217 -7.403 -17.910 1.00 1.52 H new ATOM 0 HG3 PRO A 427 1.761 -8.370 -18.033 1.00 1.52 H new ATOM 0 HD2 PRO A 427 3.351 -7.659 -15.603 1.00 2.20 H new ATOM 0 HD3 PRO A 427 1.630 -7.950 -15.753 1.00 2.20 H new ATOM 530 N PHE A 428 5.370 -10.262 -14.939 1.00 62.21 N ATOM 531 CA PHE A 428 6.676 -10.522 -14.350 1.00 23.34 C ATOM 532 C PHE A 428 6.539 -11.476 -13.147 1.00 70.24 C ATOM 533 O PHE A 428 7.543 -11.721 -12.467 1.00 50.25 O ATOM 534 CB PHE A 428 7.453 -9.218 -13.930 1.00 31.02 C ATOM 535 CG PHE A 428 7.800 -8.254 -15.049 1.00 60.52 C ATOM 536 CD1 PHE A 428 8.642 -8.652 -16.070 1.00 22.25 C ATOM 537 CD2 PHE A 428 7.339 -6.936 -15.055 1.00 32.52 C ATOM 538 CE1 PHE A 428 9.013 -7.773 -17.065 1.00 22.41 C ATOM 539 CE2 PHE A 428 7.705 -6.058 -16.056 1.00 10.45 C ATOM 540 CZ PHE A 428 8.543 -6.477 -17.061 1.00 72.25 C ATOM 0 H PHE A 428 4.718 -9.781 -14.319 1.00 62.21 H new ATOM 0 HA PHE A 428 7.274 -10.993 -15.130 1.00 23.34 H new ATOM 0 HB2 PHE A 428 6.853 -8.685 -13.192 1.00 31.02 H new ATOM 0 HB3 PHE A 428 8.378 -9.515 -13.435 1.00 31.02 H new ATOM 0 HD1 PHE A 428 9.014 -9.666 -16.089 1.00 22.25 H new ATOM 0 HD2 PHE A 428 6.686 -6.598 -14.264 1.00 32.52 H new ATOM 0 HE1 PHE A 428 9.676 -8.101 -17.852 1.00 22.41 H new ATOM 0 HE2 PHE A 428 7.333 -5.044 -16.049 1.00 10.45 H new ATOM 0 HZ PHE A 428 8.833 -5.793 -17.845 1.00 72.25 H new ATOM 550 N GLY A 429 5.323 -12.040 -12.871 1.00 20.40 N ATOM 551 CA GLY A 429 5.235 -12.950 -11.715 1.00 15.35 C ATOM 552 C GLY A 429 3.895 -12.885 -10.857 1.00 2.41 C ATOM 553 O GLY A 429 2.917 -12.271 -11.292 1.00 43.33 O ATOM 0 H GLY A 429 4.460 -11.890 -13.394 1.00 20.40 H new ATOM 0 HA2 GLY A 429 5.360 -13.971 -12.075 1.00 15.35 H new ATOM 0 HA3 GLY A 429 6.075 -12.741 -11.052 1.00 15.35 H new ATOM 557 N ASN A 430 3.860 -13.555 -9.638 1.00 31.41 N ATOM 558 CA ASN A 430 2.638 -13.658 -8.725 1.00 20.10 C ATOM 559 C ASN A 430 2.435 -12.405 -7.722 1.00 30.31 C ATOM 560 O ASN A 430 3.432 -11.892 -7.202 1.00 14.22 O ATOM 561 CB ASN A 430 2.787 -15.003 -7.943 1.00 43.33 C ATOM 562 CG ASN A 430 1.599 -15.411 -7.077 1.00 4.33 C ATOM 563 OD1 ASN A 430 0.463 -14.993 -7.304 1.00 61.05 O ATOM 564 ND2 ASN A 430 1.859 -16.302 -6.118 1.00 75.12 N ATOM 0 H ASN A 430 4.675 -14.038 -9.261 1.00 31.41 H new ATOM 0 HA ASN A 430 1.737 -13.636 -9.338 1.00 20.10 H new ATOM 0 HB2 ASN A 430 2.976 -15.799 -8.663 1.00 43.33 H new ATOM 0 HB3 ASN A 430 3.668 -14.933 -7.306 1.00 43.33 H new ATOM 0 HD21 ASN A 430 1.101 -16.664 -5.539 1.00 75.12 H new ATOM 0 HD22 ASN A 430 2.815 -16.621 -5.964 1.00 75.12 H new ATOM 571 N VAL A 431 1.140 -11.907 -7.468 1.00 4.14 N ATOM 572 CA VAL A 431 0.823 -10.863 -6.370 1.00 44.55 C ATOM 573 C VAL A 431 0.090 -11.554 -5.159 1.00 31.02 C ATOM 574 O VAL A 431 -0.589 -12.564 -5.385 1.00 24.50 O ATOM 575 CB VAL A 431 -0.135 -9.624 -6.731 1.00 51.21 C ATOM 576 CG1 VAL A 431 0.368 -8.666 -7.809 1.00 2.35 C ATOM 577 CG2 VAL A 431 -1.575 -10.020 -7.066 1.00 23.31 C ATOM 0 H VAL A 431 0.319 -12.204 -7.995 1.00 4.14 H new ATOM 0 HA VAL A 431 1.819 -10.465 -6.178 1.00 44.55 H new ATOM 0 HB VAL A 431 -0.114 -9.081 -5.786 1.00 51.21 H new ATOM 0 HG11 VAL A 431 -0.365 -7.874 -7.963 1.00 2.35 H new ATOM 0 HG12 VAL A 431 1.315 -8.228 -7.493 1.00 2.35 H new ATOM 0 HG13 VAL A 431 0.513 -9.211 -8.741 1.00 2.35 H new ATOM 0 HG21 VAL A 431 -2.154 -9.126 -7.297 1.00 23.31 H new ATOM 0 HG22 VAL A 431 -1.578 -10.687 -7.928 1.00 23.31 H new ATOM 0 HG23 VAL A 431 -2.020 -10.529 -6.211 1.00 23.31 H new ATOM 587 N ILE A 432 0.226 -11.073 -3.869 1.00 31.23 N ATOM 588 CA ILE A 432 -0.710 -11.612 -2.789 1.00 61.43 C ATOM 589 C ILE A 432 -1.610 -10.505 -2.108 1.00 2.34 C ATOM 590 O ILE A 432 -2.812 -10.738 -1.990 1.00 43.14 O ATOM 591 CB ILE A 432 -0.112 -12.691 -1.731 1.00 14.45 C ATOM 592 CG1 ILE A 432 1.001 -13.615 -2.350 1.00 32.11 C ATOM 593 CG2 ILE A 432 -1.218 -13.644 -1.190 1.00 24.25 C ATOM 594 CD1 ILE A 432 1.292 -14.950 -1.586 1.00 34.30 C ATOM 0 H ILE A 432 0.907 -10.377 -3.563 1.00 31.23 H new ATOM 0 HA ILE A 432 -1.370 -12.237 -3.390 1.00 61.43 H new ATOM 0 HB ILE A 432 0.312 -12.079 -0.935 1.00 14.45 H new ATOM 0 HG12 ILE A 432 0.713 -13.861 -3.372 1.00 32.11 H new ATOM 0 HG13 ILE A 432 1.928 -13.044 -2.408 1.00 32.11 H new ATOM 0 HG21 ILE A 432 -0.778 -14.350 -0.486 1.00 24.25 H new ATOM 0 HG22 ILE A 432 -1.987 -13.059 -0.685 1.00 24.25 H new ATOM 0 HG23 ILE A 432 -1.665 -14.191 -2.020 1.00 24.25 H new ATOM 0 HD11 ILE A 432 2.075 -15.503 -2.105 1.00 34.30 H new ATOM 0 HD12 ILE A 432 1.618 -14.725 -0.571 1.00 34.30 H new ATOM 0 HD13 ILE A 432 0.385 -15.554 -1.550 1.00 34.30 H new ATOM 606 N SER A 433 -1.092 -9.307 -1.655 1.00 42.22 N ATOM 607 CA SER A 433 -2.024 -8.259 -1.041 1.00 43.24 C ATOM 608 C SER A 433 -1.725 -6.772 -1.469 1.00 63.34 C ATOM 609 O SER A 433 -0.672 -6.496 -2.049 1.00 15.03 O ATOM 610 CB SER A 433 -2.078 -8.379 0.501 1.00 65.51 C ATOM 611 OG SER A 433 -2.599 -9.646 0.884 1.00 74.54 O ATOM 0 H SER A 433 -0.107 -9.045 -1.693 1.00 42.22 H new ATOM 0 HA SER A 433 -3.004 -8.492 -1.457 1.00 43.24 H new ATOM 0 HB2 SER A 433 -1.079 -8.249 0.917 1.00 65.51 H new ATOM 0 HB3 SER A 433 -2.700 -7.584 0.912 1.00 65.51 H new ATOM 0 HG SER A 433 -2.995 -9.580 1.778 1.00 74.54 H new ATOM 617 N ALA A 434 -2.670 -5.820 -1.144 1.00 64.33 N ATOM 618 CA ALA A 434 -2.692 -4.420 -1.709 1.00 33.34 C ATOM 619 C ALA A 434 -3.107 -3.314 -0.716 1.00 60.03 C ATOM 620 O ALA A 434 -4.273 -3.248 -0.296 1.00 42.53 O ATOM 621 CB ALA A 434 -3.618 -4.436 -2.928 1.00 70.01 C ATOM 0 H ALA A 434 -3.431 -6.001 -0.489 1.00 64.33 H new ATOM 0 HA ALA A 434 -1.668 -4.157 -1.973 1.00 33.34 H new ATOM 0 HB1 ALA A 434 -3.660 -3.439 -3.366 1.00 70.01 H new ATOM 0 HB2 ALA A 434 -3.235 -5.141 -3.666 1.00 70.01 H new ATOM 0 HB3 ALA A 434 -4.619 -4.740 -2.621 1.00 70.01 H new ATOM 627 N LYS A 435 -2.105 -2.463 -0.326 1.00 45.14 N ATOM 628 CA LYS A 435 -2.351 -1.174 0.396 1.00 63.44 C ATOM 629 C LYS A 435 -1.154 -0.152 0.249 1.00 44.20 C ATOM 630 O LYS A 435 -0.008 -0.543 0.479 1.00 2.54 O ATOM 631 CB LYS A 435 -2.702 -1.422 1.907 1.00 21.53 C ATOM 632 CG LYS A 435 -1.805 -2.397 2.703 1.00 75.42 C ATOM 633 CD LYS A 435 -0.753 -1.721 3.617 1.00 43.44 C ATOM 634 CE LYS A 435 -1.328 -0.718 4.637 1.00 33.52 C ATOM 635 NZ LYS A 435 -2.431 -1.283 5.459 1.00 33.13 N ATOM 0 H LYS A 435 -1.118 -2.650 -0.501 1.00 45.14 H new ATOM 0 HA LYS A 435 -3.215 -0.714 -0.083 1.00 63.44 H new ATOM 0 HB2 LYS A 435 -2.686 -0.459 2.417 1.00 21.53 H new ATOM 0 HB3 LYS A 435 -3.726 -1.792 1.957 1.00 21.53 H new ATOM 0 HG2 LYS A 435 -2.442 -3.034 3.317 1.00 75.42 H new ATOM 0 HG3 LYS A 435 -1.287 -3.048 1.999 1.00 75.42 H new ATOM 0 HD2 LYS A 435 -0.211 -2.497 4.158 1.00 43.44 H new ATOM 0 HD3 LYS A 435 -0.027 -1.203 2.990 1.00 43.44 H new ATOM 0 HE2 LYS A 435 -0.528 -0.382 5.297 1.00 33.52 H new ATOM 0 HE3 LYS A 435 -1.693 0.161 4.106 1.00 33.52 H new ATOM 0 HZ1 LYS A 435 -3.308 -0.756 5.272 1.00 33.13 H new ATOM 0 HZ2 LYS A 435 -2.569 -2.284 5.214 1.00 33.13 H new ATOM 0 HZ3 LYS A 435 -2.188 -1.204 6.467 1.00 33.13 H new ATOM 649 N VAL A 436 -1.395 1.152 -0.163 1.00 52.33 N ATOM 650 CA VAL A 436 -0.385 2.249 0.080 1.00 71.05 C ATOM 651 C VAL A 436 -0.866 3.128 1.266 1.00 61.42 C ATOM 652 O VAL A 436 -1.831 3.870 1.084 1.00 41.34 O ATOM 653 CB VAL A 436 -0.060 3.245 -1.190 1.00 30.04 C ATOM 654 CG1 VAL A 436 1.036 2.778 -2.175 1.00 12.15 C ATOM 655 CG2 VAL A 436 -1.253 3.605 -2.064 1.00 72.14 C ATOM 0 H VAL A 436 -2.243 1.454 -0.643 1.00 52.33 H new ATOM 0 HA VAL A 436 0.546 1.719 0.281 1.00 71.05 H new ATOM 0 HB VAL A 436 0.290 4.108 -0.624 1.00 30.04 H new ATOM 0 HG11 VAL A 436 1.155 3.519 -2.965 1.00 12.15 H new ATOM 0 HG12 VAL A 436 1.979 2.662 -1.641 1.00 12.15 H new ATOM 0 HG13 VAL A 436 0.748 1.823 -2.614 1.00 12.15 H new ATOM 0 HG21 VAL A 436 -0.928 4.264 -2.869 1.00 72.14 H new ATOM 0 HG22 VAL A 436 -1.680 2.697 -2.488 1.00 72.14 H new ATOM 0 HG23 VAL A 436 -2.006 4.113 -1.461 1.00 72.14 H new ATOM 665 N PHE A 437 -0.271 3.064 2.524 1.00 31.23 N ATOM 666 CA PHE A 437 -0.437 4.233 3.366 1.00 23.54 C ATOM 667 C PHE A 437 0.728 5.178 3.096 1.00 52.34 C ATOM 668 O PHE A 437 1.855 4.922 3.490 1.00 73.44 O ATOM 669 CB PHE A 437 -0.611 3.951 4.900 1.00 62.01 C ATOM 670 CG PHE A 437 0.581 3.405 5.680 1.00 15.11 C ATOM 671 CD1 PHE A 437 1.043 2.105 5.516 1.00 42.51 C ATOM 672 CD2 PHE A 437 1.212 4.213 6.621 1.00 72.14 C ATOM 673 CE1 PHE A 437 2.110 1.634 6.258 1.00 54.34 C ATOM 674 CE2 PHE A 437 2.278 3.747 7.358 1.00 30.44 C ATOM 675 CZ PHE A 437 2.725 2.457 7.183 1.00 65.23 C ATOM 0 H PHE A 437 0.264 2.286 2.909 1.00 31.23 H new ATOM 0 HA PHE A 437 -1.390 4.687 3.093 1.00 23.54 H new ATOM 0 HB2 PHE A 437 -0.920 4.882 5.375 1.00 62.01 H new ATOM 0 HB3 PHE A 437 -1.434 3.246 5.016 1.00 62.01 H new ATOM 0 HD1 PHE A 437 0.563 1.455 4.800 1.00 42.51 H new ATOM 0 HD2 PHE A 437 0.860 5.222 6.776 1.00 72.14 H new ATOM 0 HE1 PHE A 437 2.463 0.623 6.115 1.00 54.34 H new ATOM 0 HE2 PHE A 437 2.763 4.394 8.074 1.00 30.44 H new ATOM 0 HZ PHE A 437 3.555 2.088 7.767 1.00 65.23 H new ATOM 846 N PHE A 448 5.419 4.639 4.213 1.00 74.03 N ATOM 847 CA PHE A 448 5.754 3.931 2.980 1.00 34.52 C ATOM 848 C PHE A 448 4.889 2.643 2.824 1.00 72.11 C ATOM 849 O PHE A 448 4.309 2.171 3.802 1.00 14.23 O ATOM 850 CB PHE A 448 7.289 3.622 2.977 1.00 72.21 C ATOM 851 CG PHE A 448 7.888 3.155 4.303 1.00 5.13 C ATOM 852 CD1 PHE A 448 7.588 1.913 4.880 1.00 43.41 C ATOM 853 CD2 PHE A 448 8.766 3.991 4.984 1.00 43.11 C ATOM 854 CE1 PHE A 448 8.154 1.535 6.084 1.00 10.34 C ATOM 855 CE2 PHE A 448 9.328 3.610 6.186 1.00 1.44 C ATOM 856 CZ PHE A 448 9.019 2.386 6.736 1.00 41.44 C ATOM 0 HA PHE A 448 5.526 4.557 2.117 1.00 34.52 H new ATOM 0 HB2 PHE A 448 7.482 2.856 2.226 1.00 72.21 H new ATOM 0 HB3 PHE A 448 7.818 4.521 2.660 1.00 72.21 H new ATOM 0 HD1 PHE A 448 6.906 1.243 4.378 1.00 43.41 H new ATOM 0 HD2 PHE A 448 9.013 4.955 4.565 1.00 43.11 H new ATOM 0 HE1 PHE A 448 7.918 0.572 6.513 1.00 10.34 H new ATOM 0 HE2 PHE A 448 10.011 4.273 6.696 1.00 1.44 H new ATOM 0 HZ PHE A 448 9.455 2.093 7.679 1.00 41.44 H new ATOM 866 N GLY A 449 4.820 2.094 1.588 1.00 25.04 N ATOM 867 CA GLY A 449 4.019 0.845 1.308 1.00 3.31 C ATOM 868 C GLY A 449 4.881 -0.374 0.914 1.00 4.12 C ATOM 869 O GLY A 449 6.058 -0.220 0.665 1.00 73.25 O ATOM 0 H GLY A 449 5.295 2.477 0.771 1.00 25.04 H new ATOM 0 HA2 GLY A 449 3.434 0.594 2.193 1.00 3.31 H new ATOM 0 HA3 GLY A 449 3.310 1.051 0.506 1.00 3.31 H new ATOM 873 N PHE A 450 4.278 -1.591 0.886 1.00 63.51 N ATOM 874 CA PHE A 450 5.027 -2.873 0.736 1.00 23.40 C ATOM 875 C PHE A 450 4.158 -3.940 0.023 1.00 24.14 C ATOM 876 O PHE A 450 2.926 -3.816 0.067 1.00 73.11 O ATOM 877 CB PHE A 450 5.570 -3.404 2.109 1.00 75.31 C ATOM 878 CG PHE A 450 4.941 -2.836 3.404 1.00 20.44 C ATOM 879 CD1 PHE A 450 3.715 -3.303 3.909 1.00 14.35 C ATOM 880 CD2 PHE A 450 5.603 -1.835 4.135 1.00 1.34 C ATOM 881 CE1 PHE A 450 3.185 -2.787 5.083 1.00 12.15 C ATOM 882 CE2 PHE A 450 5.062 -1.328 5.303 1.00 72.40 C ATOM 883 CZ PHE A 450 3.857 -1.806 5.775 1.00 72.11 C ATOM 0 H PHE A 450 3.269 -1.714 0.966 1.00 63.51 H new ATOM 0 HA PHE A 450 5.896 -2.669 0.111 1.00 23.40 H new ATOM 0 HB2 PHE A 450 5.444 -4.487 2.123 1.00 75.31 H new ATOM 0 HB3 PHE A 450 6.642 -3.208 2.144 1.00 75.31 H new ATOM 0 HD1 PHE A 450 3.178 -4.074 3.376 1.00 14.35 H new ATOM 0 HD2 PHE A 450 6.549 -1.455 3.779 1.00 1.34 H new ATOM 0 HE1 PHE A 450 2.241 -3.157 5.455 1.00 12.15 H new ATOM 0 HE2 PHE A 450 5.585 -0.555 5.847 1.00 72.40 H new ATOM 0 HZ PHE A 450 3.441 -1.409 6.689 1.00 72.11 H new ATOM 893 N VAL A 451 4.752 -5.000 -0.637 1.00 41.33 N ATOM 894 CA VAL A 451 3.891 -5.924 -1.440 1.00 24.21 C ATOM 895 C VAL A 451 4.376 -7.392 -1.328 1.00 64.33 C ATOM 896 O VAL A 451 5.547 -7.624 -1.019 1.00 15.05 O ATOM 897 CB VAL A 451 3.675 -5.396 -2.949 1.00 44.00 C ATOM 898 CG1 VAL A 451 4.931 -4.942 -3.647 1.00 31.21 C ATOM 899 CG2 VAL A 451 3.071 -6.401 -3.900 1.00 52.12 C ATOM 0 H VAL A 451 5.748 -5.218 -0.628 1.00 41.33 H new ATOM 0 HA VAL A 451 2.891 -5.921 -1.007 1.00 24.21 H new ATOM 0 HB VAL A 451 2.994 -4.566 -2.760 1.00 44.00 H new ATOM 0 HG11 VAL A 451 4.686 -4.605 -4.654 1.00 31.21 H new ATOM 0 HG12 VAL A 451 5.381 -4.121 -3.089 1.00 31.21 H new ATOM 0 HG13 VAL A 451 5.636 -5.771 -3.703 1.00 31.21 H new ATOM 0 HG21 VAL A 451 2.966 -5.951 -4.887 1.00 52.12 H new ATOM 0 HG22 VAL A 451 3.720 -7.274 -3.967 1.00 52.12 H new ATOM 0 HG23 VAL A 451 2.090 -6.705 -3.534 1.00 52.12 H new ATOM 909 N SER A 452 3.473 -8.389 -1.563 1.00 23.41 N ATOM 910 CA SER A 452 3.734 -9.758 -1.194 1.00 72.03 C ATOM 911 C SER A 452 4.187 -10.576 -2.439 1.00 64.35 C ATOM 912 O SER A 452 3.402 -10.700 -3.384 1.00 71.21 O ATOM 913 CB SER A 452 2.406 -10.304 -0.588 1.00 1.23 C ATOM 914 OG SER A 452 2.618 -11.558 0.028 1.00 72.20 O ATOM 0 H SER A 452 2.567 -8.240 -2.007 1.00 23.41 H new ATOM 0 HA SER A 452 4.543 -9.839 -0.468 1.00 72.03 H new ATOM 0 HB2 SER A 452 2.015 -9.596 0.142 1.00 1.23 H new ATOM 0 HB3 SER A 452 1.655 -10.400 -1.372 1.00 1.23 H new ATOM 0 HG SER A 452 2.948 -12.198 -0.637 1.00 72.20 H new ATOM 920 N TYR A 453 5.461 -11.128 -2.472 1.00 64.00 N ATOM 921 CA TYR A 453 5.890 -11.915 -3.670 1.00 11.40 C ATOM 922 C TYR A 453 6.415 -13.337 -3.264 1.00 33.34 C ATOM 923 O TYR A 453 7.215 -13.370 -2.338 1.00 2.20 O ATOM 924 CB TYR A 453 6.972 -11.057 -4.466 1.00 25.34 C ATOM 925 CG TYR A 453 7.331 -11.579 -5.884 1.00 62.10 C ATOM 926 CD1 TYR A 453 7.815 -12.876 -6.147 1.00 72.44 C ATOM 927 CD2 TYR A 453 7.171 -10.746 -6.985 1.00 41.12 C ATOM 928 CE1 TYR A 453 8.117 -13.285 -7.431 1.00 74.01 C ATOM 929 CE2 TYR A 453 7.468 -11.143 -8.243 1.00 23.32 C ATOM 930 CZ TYR A 453 7.940 -12.416 -8.478 1.00 23.13 C ATOM 931 OH TYR A 453 8.247 -12.821 -9.760 1.00 12.05 O ATOM 0 H TYR A 453 6.156 -11.044 -1.730 1.00 64.00 H new ATOM 0 HA TYR A 453 5.039 -12.100 -4.326 1.00 11.40 H new ATOM 0 HB2 TYR A 453 6.604 -10.035 -4.557 1.00 25.34 H new ATOM 0 HB3 TYR A 453 7.885 -11.015 -3.872 1.00 25.34 H new ATOM 0 HD1 TYR A 453 7.953 -13.565 -5.327 1.00 72.44 H new ATOM 0 HD2 TYR A 453 6.796 -9.745 -6.830 1.00 41.12 H new ATOM 0 HE1 TYR A 453 8.490 -14.283 -7.610 1.00 74.01 H new ATOM 0 HE2 TYR A 453 7.335 -10.459 -9.068 1.00 23.32 H new ATOM 0 HH TYR A 453 8.005 -12.113 -10.393 1.00 12.05 H new ATOM 941 N ASP A 454 5.949 -14.505 -3.954 1.00 52.22 N ATOM 942 CA ASP A 454 6.495 -15.916 -3.756 1.00 13.43 C ATOM 943 C ASP A 454 7.790 -16.109 -2.916 1.00 12.11 C ATOM 944 O ASP A 454 7.707 -16.428 -1.731 1.00 10.42 O ATOM 945 CB ASP A 454 6.751 -16.655 -5.091 1.00 43.24 C ATOM 946 CG ASP A 454 5.501 -16.916 -5.884 1.00 43.52 C ATOM 947 OD1 ASP A 454 4.555 -17.520 -5.334 1.00 10.22 O ATOM 948 OD2 ASP A 454 5.454 -16.500 -7.056 1.00 60.00 O ATOM 0 H ASP A 454 5.198 -14.465 -4.643 1.00 52.22 H new ATOM 0 HA ASP A 454 5.672 -16.331 -3.174 1.00 13.43 H new ATOM 0 HB2 ASP A 454 7.439 -16.065 -5.697 1.00 43.24 H new ATOM 0 HB3 ASP A 454 7.244 -17.605 -4.882 1.00 43.24 H new ATOM 953 N ASN A 455 8.987 -15.975 -3.539 1.00 73.53 N ATOM 954 CA ASN A 455 10.243 -16.380 -2.897 1.00 73.11 C ATOM 955 C ASN A 455 11.418 -15.524 -3.416 1.00 64.14 C ATOM 956 O ASN A 455 11.419 -15.173 -4.602 1.00 55.21 O ATOM 957 CB ASN A 455 10.482 -17.890 -3.172 1.00 13.11 C ATOM 958 CG ASN A 455 11.190 -18.609 -2.020 1.00 31.44 C ATOM 959 OD1 ASN A 455 12.421 -18.665 -1.970 1.00 71.31 O ATOM 960 ND2 ASN A 455 10.411 -19.178 -1.088 1.00 62.33 N ATOM 0 H ASN A 455 9.099 -15.592 -4.478 1.00 73.53 H new ATOM 0 HA ASN A 455 10.176 -16.220 -1.821 1.00 73.11 H new ATOM 0 HB2 ASN A 455 9.524 -18.374 -3.360 1.00 13.11 H new ATOM 0 HB3 ASN A 455 11.077 -17.998 -4.079 1.00 13.11 H new ATOM 0 HD21 ASN A 455 10.834 -19.677 -0.305 1.00 62.33 H new ATOM 0 HD22 ASN A 455 9.396 -19.111 -1.162 1.00 62.33 H new ATOM 967 N PRO A 456 12.393 -15.133 -2.516 1.00 34.33 N ATOM 968 CA PRO A 456 13.615 -14.349 -2.849 1.00 43.03 C ATOM 969 C PRO A 456 14.305 -14.561 -4.233 1.00 22.22 C ATOM 970 O PRO A 456 14.670 -13.556 -4.853 1.00 51.13 O ATOM 971 CB PRO A 456 14.579 -14.735 -1.734 1.00 53.35 C ATOM 972 CG PRO A 456 13.740 -15.141 -0.564 1.00 1.11 C ATOM 973 CD PRO A 456 12.327 -15.340 -1.038 1.00 22.33 C ATOM 0 HA PRO A 456 13.324 -13.302 -2.928 1.00 43.03 H new ATOM 0 HB2 PRO A 456 15.227 -15.553 -2.048 1.00 53.35 H new ATOM 0 HB3 PRO A 456 15.226 -13.897 -1.474 1.00 53.35 H new ATOM 0 HG2 PRO A 456 14.125 -16.060 -0.123 1.00 1.11 H new ATOM 0 HG3 PRO A 456 13.775 -14.376 0.212 1.00 1.11 H new ATOM 0 HD2 PRO A 456 11.964 -16.338 -0.793 1.00 22.33 H new ATOM 0 HD3 PRO A 456 11.647 -14.629 -0.568 1.00 22.33 H new ATOM 981 N VAL A 457 14.488 -15.823 -4.742 1.00 1.43 N ATOM 982 CA VAL A 457 15.261 -16.010 -6.000 1.00 74.25 C ATOM 983 C VAL A 457 14.478 -15.545 -7.264 1.00 54.35 C ATOM 984 O VAL A 457 15.106 -15.247 -8.274 1.00 32.11 O ATOM 985 CB VAL A 457 15.940 -17.435 -6.238 1.00 52.14 C ATOM 986 CG1 VAL A 457 17.079 -17.687 -5.258 1.00 51.10 C ATOM 987 CG2 VAL A 457 14.991 -18.627 -6.206 1.00 4.12 C ATOM 0 H VAL A 457 14.129 -16.680 -4.321 1.00 1.43 H new ATOM 0 HA VAL A 457 16.109 -15.344 -5.836 1.00 74.25 H new ATOM 0 HB VAL A 457 16.317 -17.366 -7.258 1.00 52.14 H new ATOM 0 HG11 VAL A 457 17.516 -18.667 -5.452 1.00 51.10 H new ATOM 0 HG12 VAL A 457 17.842 -16.919 -5.382 1.00 51.10 H new ATOM 0 HG13 VAL A 457 16.695 -17.656 -4.238 1.00 51.10 H new ATOM 0 HG21 VAL A 457 15.553 -19.545 -6.378 1.00 4.12 H new ATOM 0 HG22 VAL A 457 14.503 -18.678 -5.233 1.00 4.12 H new ATOM 0 HG23 VAL A 457 14.236 -18.512 -6.984 1.00 4.12 H new ATOM 997 N SER A 458 13.117 -15.465 -7.215 1.00 13.12 N ATOM 998 CA SER A 458 12.346 -14.893 -8.342 1.00 33.51 C ATOM 999 C SER A 458 12.158 -13.319 -8.286 1.00 24.41 C ATOM 1000 O SER A 458 11.829 -12.747 -9.335 1.00 11.11 O ATOM 1001 CB SER A 458 10.953 -15.595 -8.523 1.00 32.14 C ATOM 1002 OG SER A 458 10.389 -15.308 -9.795 1.00 50.33 O ATOM 0 H SER A 458 12.551 -15.781 -6.428 1.00 13.12 H new ATOM 0 HA SER A 458 12.967 -15.097 -9.214 1.00 33.51 H new ATOM 0 HB2 SER A 458 11.070 -16.673 -8.410 1.00 32.14 H new ATOM 0 HB3 SER A 458 10.272 -15.264 -7.739 1.00 32.14 H new ATOM 0 HG SER A 458 10.572 -14.375 -10.031 1.00 50.33 H new ATOM 1008 N ALA A 459 12.372 -12.575 -7.127 1.00 0.31 N ATOM 1009 CA ALA A 459 11.987 -11.151 -7.082 1.00 73.54 C ATOM 1010 C ALA A 459 12.913 -10.252 -7.963 1.00 64.33 C ATOM 1011 O ALA A 459 12.409 -9.401 -8.698 1.00 31.32 O ATOM 1012 CB ALA A 459 11.914 -10.596 -5.644 1.00 2.13 C ATOM 0 H ALA A 459 12.788 -12.939 -6.270 1.00 0.31 H new ATOM 0 HA ALA A 459 10.982 -11.114 -7.503 1.00 73.54 H new ATOM 0 HB1 ALA A 459 11.626 -9.545 -5.674 1.00 2.13 H new ATOM 0 HB2 ALA A 459 11.175 -11.159 -5.074 1.00 2.13 H new ATOM 0 HB3 ALA A 459 12.889 -10.692 -5.167 1.00 2.13 H new ATOM 1018 N GLN A 460 14.256 -10.483 -7.876 1.00 42.33 N ATOM 1019 CA GLN A 460 15.330 -9.629 -8.472 1.00 42.13 C ATOM 1020 C GLN A 460 15.147 -9.124 -9.929 1.00 73.43 C ATOM 1021 O GLN A 460 15.454 -7.957 -10.161 1.00 4.24 O ATOM 1022 CB GLN A 460 16.734 -10.274 -8.281 1.00 24.23 C ATOM 1023 CG GLN A 460 17.058 -11.539 -9.119 1.00 75.35 C ATOM 1024 CD GLN A 460 18.305 -12.246 -8.618 1.00 51.12 C ATOM 1025 OE1 GLN A 460 18.615 -12.228 -7.425 1.00 21.43 O ATOM 1026 NE2 GLN A 460 19.034 -12.878 -9.525 1.00 53.13 N ATOM 0 H GLN A 460 14.632 -11.289 -7.377 1.00 42.33 H new ATOM 0 HA GLN A 460 15.238 -8.711 -7.892 1.00 42.13 H new ATOM 0 HB2 GLN A 460 17.486 -9.518 -8.508 1.00 24.23 H new ATOM 0 HB3 GLN A 460 16.847 -10.530 -7.227 1.00 24.23 H new ATOM 0 HG2 GLN A 460 16.212 -12.225 -9.082 1.00 75.35 H new ATOM 0 HG3 GLN A 460 17.195 -11.258 -10.163 1.00 75.35 H new ATOM 0 HE21 GLN A 460 18.747 -12.872 -10.504 1.00 53.13 H new ATOM 0 HE22 GLN A 460 19.882 -13.371 -9.245 1.00 53.13 H new ATOM 1035 N ALA A 461 14.666 -9.943 -10.897 1.00 62.41 N ATOM 1036 CA ALA A 461 14.605 -9.512 -12.309 1.00 25.21 C ATOM 1037 C ALA A 461 13.695 -8.197 -12.627 1.00 13.31 C ATOM 1038 O ALA A 461 13.914 -7.579 -13.665 1.00 14.42 O ATOM 1039 CB ALA A 461 14.373 -10.764 -13.230 1.00 33.22 C ATOM 0 H ALA A 461 14.321 -10.888 -10.727 1.00 62.41 H new ATOM 0 HA ALA A 461 15.580 -9.098 -12.565 1.00 25.21 H new ATOM 0 HB1 ALA A 461 14.328 -10.446 -14.272 1.00 33.22 H new ATOM 0 HB2 ALA A 461 15.195 -11.468 -13.101 1.00 33.22 H new ATOM 0 HB3 ALA A 461 13.435 -11.247 -12.957 1.00 33.22 H new ATOM 1045 N ALA A 462 12.693 -7.766 -11.739 1.00 33.54 N ATOM 1046 CA ALA A 462 11.999 -6.385 -11.814 1.00 41.35 C ATOM 1047 C ALA A 462 12.726 -5.288 -10.990 1.00 75.13 C ATOM 1048 O ALA A 462 12.827 -4.151 -11.461 1.00 23.04 O ATOM 1049 CB ALA A 462 10.515 -6.424 -11.375 1.00 54.34 C ATOM 0 H ALA A 462 12.351 -8.346 -10.973 1.00 33.54 H new ATOM 0 HA ALA A 462 12.050 -6.126 -12.872 1.00 41.35 H new ATOM 0 HB1 ALA A 462 10.087 -5.425 -11.451 1.00 54.34 H new ATOM 0 HB2 ALA A 462 9.962 -7.106 -12.021 1.00 54.34 H new ATOM 0 HB3 ALA A 462 10.450 -6.769 -10.343 1.00 54.34 H new ATOM 1055 N ILE A 463 13.159 -5.646 -9.749 1.00 51.44 N ATOM 1056 CA ILE A 463 13.858 -4.756 -8.756 1.00 1.23 C ATOM 1057 C ILE A 463 14.894 -3.739 -9.376 1.00 51.33 C ATOM 1058 O ILE A 463 14.851 -2.566 -9.001 1.00 73.53 O ATOM 1059 CB ILE A 463 14.491 -5.607 -7.531 1.00 72.35 C ATOM 1060 CG1 ILE A 463 13.463 -6.694 -7.070 1.00 74.21 C ATOM 1061 CG2 ILE A 463 14.946 -4.740 -6.310 1.00 0.55 C ATOM 1062 CD1 ILE A 463 13.826 -7.510 -5.829 1.00 40.24 C ATOM 0 H ILE A 463 13.030 -6.593 -9.393 1.00 51.44 H new ATOM 0 HA ILE A 463 13.070 -4.118 -8.355 1.00 1.23 H new ATOM 0 HB ILE A 463 15.401 -6.070 -7.914 1.00 72.35 H new ATOM 0 HG12 ILE A 463 12.509 -6.201 -6.884 1.00 74.21 H new ATOM 0 HG13 ILE A 463 13.308 -7.386 -7.897 1.00 74.21 H new ATOM 0 HG21 ILE A 463 15.357 -5.388 -5.536 1.00 0.55 H new ATOM 0 HG22 ILE A 463 15.708 -4.030 -6.632 1.00 0.55 H new ATOM 0 HG23 ILE A 463 14.090 -4.196 -5.911 1.00 0.55 H new ATOM 0 HD11 ILE A 463 13.031 -8.226 -5.619 1.00 40.24 H new ATOM 0 HD12 ILE A 463 14.759 -8.045 -6.006 1.00 40.24 H new ATOM 0 HD13 ILE A 463 13.947 -6.842 -4.977 1.00 40.24 H new ATOM 1074 N GLN A 464 15.782 -4.136 -10.333 1.00 60.34 N ATOM 1075 CA GLN A 464 16.690 -3.151 -10.998 1.00 53.22 C ATOM 1076 C GLN A 464 16.112 -2.470 -12.302 1.00 52.21 C ATOM 1077 O GLN A 464 16.449 -1.313 -12.533 1.00 30.03 O ATOM 1078 CB GLN A 464 18.169 -3.684 -11.192 1.00 54.31 C ATOM 1079 CG GLN A 464 18.867 -4.123 -9.897 1.00 43.24 C ATOM 1080 CD GLN A 464 18.539 -5.562 -9.507 1.00 20.51 C ATOM 1081 OE1 GLN A 464 18.276 -6.403 -10.367 1.00 10.44 O ATOM 1082 NE2 GLN A 464 18.556 -5.863 -8.217 1.00 11.34 N ATOM 0 H GLN A 464 15.889 -5.098 -10.654 1.00 60.34 H new ATOM 0 HA GLN A 464 16.746 -2.338 -10.274 1.00 53.22 H new ATOM 0 HB2 GLN A 464 18.149 -4.527 -11.882 1.00 54.31 H new ATOM 0 HB3 GLN A 464 18.764 -2.901 -11.662 1.00 54.31 H new ATOM 0 HG2 GLN A 464 19.945 -4.021 -10.018 1.00 43.24 H new ATOM 0 HG3 GLN A 464 18.573 -3.456 -9.087 1.00 43.24 H new ATOM 0 HE21 GLN A 464 18.778 -5.144 -7.528 1.00 11.34 H new ATOM 0 HE22 GLN A 464 18.347 -6.814 -7.912 1.00 11.34 H new ATOM 1091 N ALA A 465 15.255 -3.132 -13.167 1.00 70.35 N ATOM 1092 CA ALA A 465 14.573 -2.407 -14.322 1.00 13.41 C ATOM 1093 C ALA A 465 13.559 -1.279 -13.885 1.00 3.15 C ATOM 1094 O ALA A 465 13.076 -0.526 -14.734 1.00 63.41 O ATOM 1095 CB ALA A 465 13.900 -3.372 -15.369 1.00 51.42 C ATOM 0 H ALA A 465 15.025 -4.123 -13.095 1.00 70.35 H new ATOM 0 HA ALA A 465 15.406 -1.907 -14.817 1.00 13.41 H new ATOM 0 HB1 ALA A 465 13.436 -2.783 -16.160 1.00 51.42 H new ATOM 0 HB2 ALA A 465 14.658 -4.026 -15.800 1.00 51.42 H new ATOM 0 HB3 ALA A 465 13.140 -3.975 -14.872 1.00 51.42 H new ATOM 1101 N MET A 466 13.273 -1.158 -12.578 1.00 41.00 N ATOM 1102 CA MET A 466 12.297 -0.184 -12.012 1.00 44.32 C ATOM 1103 C MET A 466 12.994 0.792 -11.001 1.00 23.43 C ATOM 1104 O MET A 466 12.315 1.557 -10.319 1.00 50.24 O ATOM 1105 CB MET A 466 11.160 -0.984 -11.314 1.00 10.03 C ATOM 1106 CG MET A 466 9.781 -0.296 -11.140 1.00 41.44 C ATOM 1107 SD MET A 466 8.640 -1.403 -10.287 1.00 1.13 S ATOM 1108 CE MET A 466 7.224 -0.351 -10.014 1.00 64.20 C ATOM 0 H MET A 466 13.715 -1.739 -11.866 1.00 41.00 H new ATOM 0 HA MET A 466 11.883 0.429 -12.813 1.00 44.32 H new ATOM 0 HB2 MET A 466 11.005 -1.903 -11.878 1.00 10.03 H new ATOM 0 HB3 MET A 466 11.515 -1.273 -10.325 1.00 10.03 H new ATOM 0 HG2 MET A 466 9.896 0.628 -10.573 1.00 41.44 H new ATOM 0 HG3 MET A 466 9.376 -0.024 -12.115 1.00 41.44 H new ATOM 0 HE1 MET A 466 6.317 -0.956 -10.009 1.00 64.20 H new ATOM 0 HE2 MET A 466 7.327 0.156 -9.055 1.00 64.20 H new ATOM 0 HE3 MET A 466 7.162 0.390 -10.811 1.00 64.20 H new ATOM 1118 N ASN A 467 14.353 0.776 -10.942 1.00 40.20 N ATOM 1119 CA ASN A 467 15.154 1.518 -9.943 1.00 50.31 C ATOM 1120 C ASN A 467 15.413 2.972 -10.426 1.00 31.31 C ATOM 1121 O ASN A 467 16.235 3.129 -11.328 1.00 14.53 O ATOM 1122 CB ASN A 467 16.494 0.754 -9.754 1.00 74.24 C ATOM 1123 CG ASN A 467 17.079 0.967 -8.362 1.00 15.33 C ATOM 1124 OD1 ASN A 467 16.350 1.170 -7.387 1.00 34.24 O ATOM 1125 ND2 ASN A 467 18.397 0.962 -8.263 1.00 23.43 N ATOM 0 H ASN A 467 14.924 0.241 -11.596 1.00 40.20 H new ATOM 0 HA ASN A 467 14.619 1.581 -8.995 1.00 50.31 H new ATOM 0 HB2 ASN A 467 16.331 -0.311 -9.920 1.00 74.24 H new ATOM 0 HB3 ASN A 467 17.211 1.088 -10.504 1.00 74.24 H new ATOM 0 HD21 ASN A 467 18.841 1.129 -7.360 1.00 23.43 H new ATOM 0 HD22 ASN A 467 18.970 0.791 -9.089 1.00 23.43 H new ATOM 1132 N GLY A 468 14.752 4.063 -9.884 1.00 22.40 N ATOM 1133 CA GLY A 468 15.092 5.382 -10.419 1.00 74.31 C ATOM 1134 C GLY A 468 14.394 5.741 -11.739 1.00 3.32 C ATOM 1135 O GLY A 468 14.869 6.615 -12.456 1.00 31.04 O ATOM 0 H GLY A 468 14.049 4.037 -9.146 1.00 22.40 H new ATOM 0 HA2 GLY A 468 14.840 6.137 -9.674 1.00 74.31 H new ATOM 0 HA3 GLY A 468 16.170 5.431 -10.570 1.00 74.31 H new ATOM 1139 N PHE A 469 13.263 5.096 -12.040 1.00 32.45 N ATOM 1140 CA PHE A 469 12.773 4.957 -13.416 1.00 21.41 C ATOM 1141 C PHE A 469 11.695 6.045 -13.598 1.00 35.42 C ATOM 1142 O PHE A 469 10.637 5.961 -12.956 1.00 15.13 O ATOM 1143 CB PHE A 469 12.268 3.459 -13.610 1.00 24.43 C ATOM 1144 CG PHE A 469 11.569 3.086 -14.906 1.00 1.42 C ATOM 1145 CD1 PHE A 469 12.237 3.070 -16.126 1.00 73.21 C ATOM 1146 CD2 PHE A 469 10.250 2.661 -14.882 1.00 64.33 C ATOM 1147 CE1 PHE A 469 11.591 2.657 -17.276 1.00 60.22 C ATOM 1148 CE2 PHE A 469 9.613 2.238 -16.020 1.00 64.31 C ATOM 1149 CZ PHE A 469 10.279 2.242 -17.222 1.00 33.41 C ATOM 0 H PHE A 469 12.663 4.657 -11.341 1.00 32.45 H new ATOM 0 HA PHE A 469 13.527 5.112 -14.188 1.00 21.41 H new ATOM 0 HB2 PHE A 469 13.131 2.803 -13.499 1.00 24.43 H new ATOM 0 HB3 PHE A 469 11.587 3.231 -12.790 1.00 24.43 H new ATOM 0 HD1 PHE A 469 13.269 3.383 -16.175 1.00 73.21 H new ATOM 0 HD2 PHE A 469 9.712 2.663 -13.946 1.00 64.33 H new ATOM 0 HE1 PHE A 469 12.117 2.660 -18.219 1.00 60.22 H new ATOM 0 HE2 PHE A 469 8.588 1.902 -15.972 1.00 64.31 H new ATOM 0 HZ PHE A 469 9.775 1.921 -18.122 1.00 33.41 H new ATOM 1159 N GLN A 470 11.979 7.104 -14.414 1.00 3.34 N ATOM 1160 CA GLN A 470 11.113 8.287 -14.459 1.00 11.23 C ATOM 1161 C GLN A 470 9.792 8.028 -15.186 1.00 64.33 C ATOM 1162 O GLN A 470 9.777 7.581 -16.332 1.00 1.04 O ATOM 1163 CB GLN A 470 11.856 9.467 -15.108 1.00 62.22 C ATOM 1164 CG GLN A 470 12.615 10.366 -14.125 1.00 15.53 C ATOM 1165 CD GLN A 470 11.757 11.492 -13.537 1.00 33.44 C ATOM 1166 OE1 GLN A 470 10.439 11.302 -13.471 1.00 52.31 O flip ATOM 1167 NE2 GLN A 470 12.278 12.543 -13.174 1.00 33.11 N flip ATOM 0 H GLN A 470 12.789 7.148 -15.032 1.00 3.34 H new ATOM 0 HA GLN A 470 10.863 8.535 -13.428 1.00 11.23 H new ATOM 0 HB2 GLN A 470 12.562 9.075 -15.840 1.00 62.22 H new ATOM 0 HB3 GLN A 470 11.136 10.076 -15.654 1.00 62.22 H new ATOM 0 HG2 GLN A 470 13.004 9.754 -13.311 1.00 15.53 H new ATOM 0 HG3 GLN A 470 13.474 10.803 -14.634 1.00 15.53 H new ATOM 0 HE21 GLN A 470 13.289 12.659 -13.236 1.00 33.11 H new ATOM 0 HE22 GLN A 470 11.699 13.300 -12.810 1.00 33.11 H new ATOM 1176 N ILE A 471 8.689 8.330 -14.491 1.00 11.41 N ATOM 1177 CA ILE A 471 7.334 8.152 -15.007 1.00 73.03 C ATOM 1178 C ILE A 471 6.549 9.445 -14.580 1.00 34.51 C ATOM 1179 O ILE A 471 6.131 9.531 -13.420 1.00 42.51 O ATOM 1180 CB ILE A 471 6.655 6.790 -14.430 1.00 25.30 C ATOM 1181 CG1 ILE A 471 7.301 5.489 -15.048 1.00 75.32 C ATOM 1182 CG2 ILE A 471 5.126 6.753 -14.611 1.00 51.54 C ATOM 1183 CD1 ILE A 471 6.638 4.143 -14.671 1.00 3.14 C ATOM 0 H ILE A 471 8.717 8.709 -13.544 1.00 11.41 H new ATOM 0 HA ILE A 471 7.322 8.033 -16.090 1.00 73.03 H new ATOM 0 HB ILE A 471 6.861 6.804 -13.360 1.00 25.30 H new ATOM 0 HG12 ILE A 471 7.287 5.584 -16.134 1.00 75.32 H new ATOM 0 HG13 ILE A 471 8.347 5.451 -14.745 1.00 75.32 H new ATOM 0 HG21 ILE A 471 4.734 5.820 -14.206 1.00 51.54 H new ATOM 0 HG22 ILE A 471 4.677 7.594 -14.084 1.00 51.54 H new ATOM 0 HG23 ILE A 471 4.883 6.818 -15.672 1.00 51.54 H new ATOM 0 HD11 ILE A 471 7.172 3.326 -15.157 1.00 3.14 H new ATOM 0 HD12 ILE A 471 6.676 4.009 -13.590 1.00 3.14 H new ATOM 0 HD13 ILE A 471 5.599 4.144 -15.000 1.00 3.14 H new ATOM 1195 N GLY A 472 6.455 10.523 -15.440 1.00 12.22 N ATOM 1196 CA GLY A 472 5.714 11.722 -15.023 1.00 20.13 C ATOM 1197 C GLY A 472 6.596 12.661 -14.225 1.00 4.03 C ATOM 1198 O GLY A 472 7.743 12.917 -14.593 1.00 51.14 O ATOM 0 H GLY A 472 6.867 10.566 -16.372 1.00 12.22 H new ATOM 0 HA2 GLY A 472 5.329 12.239 -15.902 1.00 20.13 H new ATOM 0 HA3 GLY A 472 4.852 11.430 -14.423 1.00 20.13 H new ATOM 1202 N MET A 473 6.069 13.144 -13.111 1.00 21.55 N ATOM 1203 CA MET A 473 6.834 14.024 -12.212 1.00 74.12 C ATOM 1204 C MET A 473 7.326 13.285 -10.941 1.00 34.54 C ATOM 1205 O MET A 473 7.687 13.929 -9.955 1.00 22.22 O ATOM 1206 CB MET A 473 6.024 15.306 -11.836 1.00 74.03 C ATOM 1207 CG MET A 473 4.534 15.073 -11.552 1.00 72.33 C ATOM 1208 SD MET A 473 3.743 16.451 -10.697 1.00 24.40 S ATOM 1209 CE MET A 473 2.064 15.829 -10.530 1.00 51.11 C ATOM 0 H MET A 473 5.118 12.948 -12.800 1.00 21.55 H new ATOM 0 HA MET A 473 7.720 14.336 -12.765 1.00 74.12 H new ATOM 0 HB2 MET A 473 6.479 15.760 -10.956 1.00 74.03 H new ATOM 0 HB3 MET A 473 6.115 16.026 -12.649 1.00 74.03 H new ATOM 0 HG2 MET A 473 4.016 14.894 -12.494 1.00 72.33 H new ATOM 0 HG3 MET A 473 4.423 14.170 -10.951 1.00 72.33 H new ATOM 0 HE1 MET A 473 1.450 16.571 -10.019 1.00 51.11 H new ATOM 0 HE2 MET A 473 1.648 15.633 -11.519 1.00 51.11 H new ATOM 0 HE3 MET A 473 2.074 14.905 -9.951 1.00 51.11 H new ATOM 1219 N LYS A 474 7.377 11.936 -10.975 1.00 50.13 N ATOM 1220 CA LYS A 474 7.867 11.140 -9.795 1.00 55.24 C ATOM 1221 C LYS A 474 8.794 9.987 -10.284 1.00 55.12 C ATOM 1222 O LYS A 474 8.762 9.641 -11.469 1.00 11.34 O ATOM 1223 CB LYS A 474 6.720 10.493 -8.926 1.00 33.20 C ATOM 1224 CG LYS A 474 5.504 11.345 -8.451 1.00 42.25 C ATOM 1225 CD LYS A 474 5.831 12.491 -7.452 1.00 53.24 C ATOM 1226 CE LYS A 474 4.675 12.729 -6.467 1.00 34.02 C ATOM 1227 NZ LYS A 474 4.878 13.965 -5.664 1.00 2.40 N ATOM 0 H LYS A 474 7.096 11.373 -11.778 1.00 50.13 H new ATOM 0 HA LYS A 474 8.394 11.856 -9.165 1.00 55.24 H new ATOM 0 HB2 LYS A 474 6.321 9.654 -9.496 1.00 33.20 H new ATOM 0 HB3 LYS A 474 7.189 10.078 -8.034 1.00 33.20 H new ATOM 0 HG2 LYS A 474 5.023 11.779 -9.328 1.00 42.25 H new ATOM 0 HG3 LYS A 474 4.777 10.679 -7.986 1.00 42.25 H new ATOM 0 HD2 LYS A 474 6.737 12.244 -6.898 1.00 53.24 H new ATOM 0 HD3 LYS A 474 6.035 13.409 -8.004 1.00 53.24 H new ATOM 0 HE2 LYS A 474 3.738 12.804 -7.018 1.00 34.02 H new ATOM 0 HE3 LYS A 474 4.585 11.872 -5.799 1.00 34.02 H new ATOM 0 HZ1 LYS A 474 4.078 14.091 -5.012 1.00 2.40 H new ATOM 0 HZ2 LYS A 474 5.760 13.884 -5.118 1.00 2.40 H new ATOM 0 HZ3 LYS A 474 4.939 14.786 -6.300 1.00 2.40 H new ATOM 1241 N ARG A 475 9.608 9.371 -9.378 1.00 45.11 N ATOM 1242 CA ARG A 475 10.436 8.182 -9.756 1.00 44.14 C ATOM 1243 C ARG A 475 10.263 7.045 -8.718 1.00 30.54 C ATOM 1244 O ARG A 475 10.036 7.325 -7.531 1.00 25.25 O ATOM 1245 CB ARG A 475 11.962 8.528 -9.957 1.00 35.12 C ATOM 1246 CG ARG A 475 12.799 8.928 -8.697 1.00 50.32 C ATOM 1247 CD ARG A 475 12.661 10.400 -8.245 1.00 35.55 C ATOM 1248 NE ARG A 475 13.770 11.235 -8.726 1.00 53.41 N ATOM 1249 CZ ARG A 475 13.658 12.524 -9.094 1.00 23.51 C ATOM 1250 NH1 ARG A 475 12.484 13.150 -9.063 1.00 34.00 N ATOM 1251 NH2 ARG A 475 14.742 13.213 -9.428 1.00 23.15 N ATOM 0 H ARG A 475 9.709 9.666 -8.407 1.00 45.11 H new ATOM 0 HA ARG A 475 10.068 7.842 -10.724 1.00 44.14 H new ATOM 0 HB2 ARG A 475 12.442 7.664 -10.416 1.00 35.12 H new ATOM 0 HB3 ARG A 475 12.027 9.346 -10.674 1.00 35.12 H new ATOM 0 HG2 ARG A 475 12.506 8.283 -7.868 1.00 50.32 H new ATOM 0 HG3 ARG A 475 13.850 8.726 -8.902 1.00 50.32 H new ATOM 0 HD2 ARG A 475 11.718 10.804 -8.613 1.00 35.55 H new ATOM 0 HD3 ARG A 475 12.623 10.442 -7.156 1.00 35.55 H new ATOM 0 HE ARG A 475 14.693 10.805 -8.785 1.00 53.41 H new ATOM 0 HH11 ARG A 475 11.648 12.652 -8.756 1.00 34.00 H new ATOM 0 HH12 ARG A 475 12.420 14.128 -9.346 1.00 34.00 H new ATOM 0 HH21 ARG A 475 15.658 12.765 -9.405 1.00 23.15 H new ATOM 0 HH22 ARG A 475 14.659 14.190 -9.707 1.00 23.15 H new ATOM 1265 N LEU A 476 10.351 5.767 -9.163 1.00 41.10 N ATOM 1266 CA LEU A 476 10.119 4.607 -8.228 1.00 41.43 C ATOM 1267 C LEU A 476 11.476 4.153 -7.599 1.00 2.15 C ATOM 1268 O LEU A 476 12.344 3.705 -8.335 1.00 72.34 O ATOM 1269 CB LEU A 476 9.463 3.336 -8.933 1.00 2.03 C ATOM 1270 CG LEU A 476 7.979 3.351 -9.479 1.00 72.15 C ATOM 1271 CD1 LEU A 476 6.970 3.864 -8.454 1.00 71.32 C ATOM 1272 CD2 LEU A 476 7.846 4.146 -10.781 1.00 20.22 C ATOM 0 H LEU A 476 10.572 5.505 -10.124 1.00 41.10 H new ATOM 0 HA LEU A 476 9.421 4.971 -7.474 1.00 41.43 H new ATOM 0 HB2 LEU A 476 10.105 3.078 -9.775 1.00 2.03 H new ATOM 0 HB3 LEU A 476 9.527 2.514 -8.220 1.00 2.03 H new ATOM 0 HG LEU A 476 7.743 2.307 -9.684 1.00 72.15 H new ATOM 0 HD11 LEU A 476 5.971 3.850 -8.889 1.00 71.32 H new ATOM 0 HD12 LEU A 476 6.991 3.225 -7.571 1.00 71.32 H new ATOM 0 HD13 LEU A 476 7.227 4.884 -8.169 1.00 71.32 H new ATOM 0 HD21 LEU A 476 6.809 4.126 -11.115 1.00 20.22 H new ATOM 0 HD22 LEU A 476 8.153 5.178 -10.610 1.00 20.22 H new ATOM 0 HD23 LEU A 476 8.482 3.700 -11.546 1.00 20.22 H new ATOM 1284 N LYS A 477 11.698 4.292 -6.258 1.00 54.54 N ATOM 1285 CA LYS A 477 12.936 3.732 -5.623 1.00 70.54 C ATOM 1286 C LYS A 477 12.640 2.419 -4.827 1.00 23.21 C ATOM 1287 O LYS A 477 11.809 2.446 -3.914 1.00 33.55 O ATOM 1288 CB LYS A 477 13.586 4.812 -4.695 1.00 64.22 C ATOM 1289 CG LYS A 477 14.900 4.385 -3.986 1.00 42.42 C ATOM 1290 CD LYS A 477 15.944 3.802 -4.954 1.00 43.24 C ATOM 1291 CE LYS A 477 17.158 3.212 -4.229 1.00 32.12 C ATOM 1292 NZ LYS A 477 16.800 2.047 -3.372 1.00 40.40 N ATOM 0 H LYS A 477 11.065 4.767 -5.615 1.00 54.54 H new ATOM 0 HA LYS A 477 13.637 3.471 -6.416 1.00 70.54 H new ATOM 0 HB2 LYS A 477 13.788 5.702 -5.290 1.00 64.22 H new ATOM 0 HB3 LYS A 477 12.859 5.096 -3.934 1.00 64.22 H new ATOM 0 HG2 LYS A 477 15.328 5.248 -3.476 1.00 42.42 H new ATOM 0 HG3 LYS A 477 14.669 3.644 -3.220 1.00 42.42 H new ATOM 0 HD2 LYS A 477 15.477 3.027 -5.562 1.00 43.24 H new ATOM 0 HD3 LYS A 477 16.278 4.584 -5.636 1.00 43.24 H new ATOM 0 HE2 LYS A 477 17.901 2.903 -4.964 1.00 32.12 H new ATOM 0 HE3 LYS A 477 17.620 3.984 -3.613 1.00 32.12 H new ATOM 0 HZ1 LYS A 477 17.624 1.420 -3.276 1.00 40.40 H new ATOM 0 HZ2 LYS A 477 16.510 2.384 -2.432 1.00 40.40 H new ATOM 0 HZ3 LYS A 477 16.015 1.523 -3.809 1.00 40.40 H new ATOM 1306 N VAL A 478 13.317 1.255 -5.152 1.00 34.35 N ATOM 1307 CA VAL A 478 12.974 -0.027 -4.502 1.00 43.31 C ATOM 1308 C VAL A 478 14.271 -0.853 -4.195 1.00 1.32 C ATOM 1309 O VAL A 478 15.293 -0.650 -4.867 1.00 63.10 O ATOM 1310 CB VAL A 478 11.897 -0.822 -5.348 1.00 12.03 C ATOM 1311 CG1 VAL A 478 12.370 -2.192 -5.810 1.00 3.33 C ATOM 1312 CG2 VAL A 478 10.592 -0.996 -4.570 1.00 34.44 C ATOM 0 H VAL A 478 14.071 1.199 -5.836 1.00 34.35 H new ATOM 0 HA VAL A 478 12.505 0.173 -3.539 1.00 43.31 H new ATOM 0 HB VAL A 478 11.732 -0.208 -6.234 1.00 12.03 H new ATOM 0 HG11 VAL A 478 11.579 -2.676 -6.383 1.00 3.33 H new ATOM 0 HG12 VAL A 478 13.255 -2.079 -6.437 1.00 3.33 H new ATOM 0 HG13 VAL A 478 12.616 -2.804 -4.942 1.00 3.33 H new ATOM 0 HG21 VAL A 478 9.875 -1.546 -5.180 1.00 34.44 H new ATOM 0 HG22 VAL A 478 10.787 -1.550 -3.652 1.00 34.44 H new ATOM 0 HG23 VAL A 478 10.182 -0.017 -4.323 1.00 34.44 H new ATOM 1322 N GLN A 479 14.251 -1.743 -3.154 1.00 3.03 N ATOM 1323 CA GLN A 479 15.436 -2.572 -2.791 1.00 2.33 C ATOM 1324 C GLN A 479 15.029 -3.904 -2.051 1.00 2.24 C ATOM 1325 O GLN A 479 13.876 -3.999 -1.617 1.00 15.42 O ATOM 1326 CB GLN A 479 16.406 -1.771 -1.940 1.00 33.35 C ATOM 1327 CG GLN A 479 17.845 -2.082 -2.310 1.00 14.43 C ATOM 1328 CD GLN A 479 18.773 -0.939 -2.010 1.00 51.13 C ATOM 1329 OE1 GLN A 479 18.924 -0.038 -2.828 1.00 34.43 O ATOM 1330 NE2 GLN A 479 19.428 -0.980 -0.866 1.00 53.24 N ATOM 0 H GLN A 479 13.436 -1.900 -2.561 1.00 3.03 H new ATOM 0 HA GLN A 479 15.927 -2.855 -3.722 1.00 2.33 H new ATOM 0 HB2 GLN A 479 16.216 -0.706 -2.072 1.00 33.35 H new ATOM 0 HB3 GLN A 479 16.242 -1.996 -0.886 1.00 33.35 H new ATOM 0 HG2 GLN A 479 18.174 -2.967 -1.765 1.00 14.43 H new ATOM 0 HG3 GLN A 479 17.901 -2.323 -3.372 1.00 14.43 H new ATOM 0 HE21 GLN A 479 19.270 -1.750 -0.215 1.00 53.24 H new ATOM 0 HE22 GLN A 479 20.092 -0.242 -0.632 1.00 53.24 H new ATOM 1339 N LEU A 480 15.970 -4.931 -1.884 1.00 43.23 N ATOM 1340 CA LEU A 480 15.683 -6.194 -1.030 1.00 71.12 C ATOM 1341 C LEU A 480 15.502 -5.700 0.440 1.00 34.21 C ATOM 1342 O LEU A 480 16.047 -4.626 0.718 1.00 52.31 O ATOM 1343 CB LEU A 480 16.883 -7.245 -1.111 1.00 31.31 C ATOM 1344 CG LEU A 480 16.640 -8.815 -0.960 1.00 0.51 C ATOM 1345 CD1 LEU A 480 16.221 -9.467 -2.296 1.00 65.35 C ATOM 1346 CD2 LEU A 480 17.917 -9.489 -0.437 1.00 1.14 C ATOM 0 H LEU A 480 16.898 -4.919 -2.308 1.00 43.23 H new ATOM 0 HA LEU A 480 14.794 -6.706 -1.399 1.00 71.12 H new ATOM 0 HB2 LEU A 480 17.370 -7.093 -2.074 1.00 31.31 H new ATOM 0 HB3 LEU A 480 17.602 -6.962 -0.342 1.00 31.31 H new ATOM 0 HG LEU A 480 15.824 -8.956 -0.251 1.00 0.51 H new ATOM 0 HD11 LEU A 480 16.066 -10.536 -2.147 1.00 65.35 H new ATOM 0 HD12 LEU A 480 15.295 -9.012 -2.648 1.00 65.35 H new ATOM 0 HD13 LEU A 480 17.005 -9.314 -3.037 1.00 65.35 H new ATOM 0 HD21 LEU A 480 17.747 -10.561 -0.335 1.00 1.14 H new ATOM 0 HD22 LEU A 480 18.733 -9.316 -1.138 1.00 1.14 H new ATOM 0 HD23 LEU A 480 18.178 -9.069 0.534 1.00 1.14 H new ATOM 1358 N LYS A 481 14.726 -6.400 1.363 1.00 35.24 N ATOM 1359 CA LYS A 481 14.463 -5.828 2.738 1.00 1.30 C ATOM 1360 C LYS A 481 15.787 -5.545 3.451 1.00 1.03 C ATOM 1361 O LYS A 481 16.533 -6.437 3.851 1.00 4.43 O ATOM 1362 CB LYS A 481 13.417 -6.674 3.623 1.00 54.43 C ATOM 1363 CG LYS A 481 13.752 -7.067 5.133 1.00 51.53 C ATOM 1364 CD LYS A 481 13.636 -5.897 6.171 1.00 32.22 C ATOM 1365 CE LYS A 481 12.753 -6.258 7.383 1.00 34.13 C ATOM 1366 NZ LYS A 481 13.225 -7.468 8.108 1.00 45.31 N ATOM 0 H LYS A 481 14.298 -7.309 1.186 1.00 35.24 H new ATOM 0 HA LYS A 481 13.948 -4.878 2.597 1.00 1.30 H new ATOM 0 HB2 LYS A 481 12.483 -6.112 3.638 1.00 54.43 H new ATOM 0 HB3 LYS A 481 13.222 -7.603 3.087 1.00 54.43 H new ATOM 0 HG2 LYS A 481 13.082 -7.870 5.439 1.00 51.53 H new ATOM 0 HG3 LYS A 481 14.766 -7.466 5.171 1.00 51.53 H new ATOM 0 HD2 LYS A 481 14.633 -5.628 6.521 1.00 32.22 H new ATOM 0 HD3 LYS A 481 13.224 -5.018 5.676 1.00 32.22 H new ATOM 0 HE2 LYS A 481 12.730 -5.414 8.073 1.00 34.13 H new ATOM 0 HE3 LYS A 481 11.730 -6.421 7.044 1.00 34.13 H new ATOM 0 HZ1 LYS A 481 12.763 -7.518 9.038 1.00 45.31 H new ATOM 0 HZ2 LYS A 481 12.987 -8.318 7.557 1.00 45.31 H new ATOM 0 HZ3 LYS A 481 14.256 -7.416 8.236 1.00 45.31 H new ATOM 1380 N ARG A 482 16.083 -4.252 3.481 1.00 12.41 N ATOM 1381 CA ARG A 482 17.227 -3.716 4.161 1.00 12.21 C ATOM 1382 C ARG A 482 16.702 -3.116 5.477 1.00 70.21 C ATOM 1383 O ARG A 482 15.546 -2.652 5.468 1.00 23.23 O ATOM 1384 CB ARG A 482 17.932 -2.679 3.202 1.00 54.42 C ATOM 1385 CG ARG A 482 17.374 -1.233 3.140 1.00 3.35 C ATOM 1386 CD ARG A 482 16.158 -1.040 2.211 1.00 4.53 C ATOM 1387 NE ARG A 482 15.539 0.267 2.397 1.00 53.30 N ATOM 1388 CZ ARG A 482 14.232 0.531 2.198 1.00 43.11 C ATOM 1389 NH1 ARG A 482 13.392 -0.416 1.764 1.00 21.35 N ATOM 1390 NH2 ARG A 482 13.780 1.756 2.423 1.00 61.34 N ATOM 0 H ARG A 482 15.515 -3.542 3.020 1.00 12.41 H new ATOM 0 HA ARG A 482 17.988 -4.456 4.410 1.00 12.21 H new ATOM 0 HB2 ARG A 482 18.981 -2.618 3.493 1.00 54.42 H new ATOM 0 HB3 ARG A 482 17.905 -3.089 2.192 1.00 54.42 H new ATOM 0 HG2 ARG A 482 17.095 -0.925 4.147 1.00 3.35 H new ATOM 0 HG3 ARG A 482 18.171 -0.566 2.812 1.00 3.35 H new ATOM 0 HD2 ARG A 482 16.472 -1.149 1.173 1.00 4.53 H new ATOM 0 HD3 ARG A 482 15.424 -1.821 2.406 1.00 4.53 H new ATOM 0 HE ARG A 482 16.137 1.036 2.699 1.00 53.30 H new ATOM 0 HH11 ARG A 482 13.737 -1.358 1.578 1.00 21.35 H new ATOM 0 HH12 ARG A 482 12.406 -0.196 1.620 1.00 21.35 H new ATOM 0 HH21 ARG A 482 14.418 2.485 2.742 1.00 61.34 H new ATOM 0 HH22 ARG A 482 12.794 1.971 2.277 1.00 61.34 H new ATOM 1404 N SER A 483 17.515 -3.208 6.574 1.00 64.32 N ATOM 1405 CA SER A 483 17.168 -2.792 7.981 1.00 3.51 C ATOM 1406 C SER A 483 15.953 -1.817 8.130 1.00 22.12 C ATOM 1407 O SER A 483 15.991 -0.694 7.602 1.00 20.02 O ATOM 1408 CB SER A 483 18.454 -2.177 8.596 1.00 45.23 C ATOM 1409 OG SER A 483 19.496 -3.133 8.595 1.00 4.45 O ATOM 0 H SER A 483 18.460 -3.585 6.507 1.00 64.32 H new ATOM 0 HA SER A 483 16.830 -3.683 8.511 1.00 3.51 H new ATOM 0 HB2 SER A 483 18.755 -1.298 8.026 1.00 45.23 H new ATOM 0 HB3 SER A 483 18.256 -1.844 9.615 1.00 45.23 H new ATOM 0 HG SER A 483 20.304 -2.737 8.983 1.00 4.45 H new