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 Single : A 398 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.27) USER MOD Single : A 399 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.625) USER MOD Single : A 406 ASN : amide:sc=-0.00853 X(o=-0.0085,f=-0.0085) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HE2:sc= 0.18 K(o=0.18,f=-1) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN :FLIP amide:sc= -0.0539 F(o=-0.74,f=-0.054) USER MOD Single : A 423 GLN : amide:sc= -0.9 X(o=-0.9,f=-0.51) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -125:sc= -2.43! (180deg=-4.35!) USER MOD Single : A 430 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 433 SER OG : rot -170:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ -135:sc= -0.0486 (180deg=-0.299) USER MOD Single : A 452 SER OG : rot 93:sc= 0 USER MOD Single : A 453 TYR OH : rot 180:sc= -0.0749 USER MOD Single : A 455 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.5) USER MOD Single : A 458 SER OG : rot 117:sc= 0.477 USER MOD Single : A 460 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN :FLIP amide:sc=-0.00242 F(o=-0.56,f=-0.0024) USER MOD Single : A 470 GLN :FLIP amide:sc= -0.0884 F(o=-0.97,f=-0.088) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ -149:sc= -0.157 (180deg=-1.2!) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= 0.0381 K(o=0.038,f=-3!) 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 -2.123 -7.193 7.842 1.00 34.44 N ATOM 57 CA GLN A 398 -1.215 -6.771 6.750 1.00 22.12 C ATOM 58 C GLN A 398 -0.324 -7.954 6.307 1.00 64.53 C ATOM 59 O GLN A 398 0.419 -8.493 7.136 1.00 11.20 O ATOM 60 CB GLN A 398 -0.282 -5.604 7.236 1.00 34.14 C ATOM 61 CG GLN A 398 -0.909 -4.180 7.453 1.00 31.14 C ATOM 62 CD GLN A 398 -2.324 -4.131 8.081 1.00 72.44 C ATOM 63 OE1 GLN A 398 -2.464 -4.147 9.300 1.00 32.20 O ATOM 64 NE2 GLN A 398 -3.369 -3.988 7.247 1.00 3.31 N ATOM 0 HA GLN A 398 -1.828 -6.433 5.914 1.00 22.12 H new ATOM 0 HB2 GLN A 398 0.171 -5.913 8.178 1.00 34.14 H new ATOM 0 HB3 GLN A 398 0.526 -5.503 6.512 1.00 34.14 H new ATOM 0 HG2 GLN A 398 -0.235 -3.605 8.088 1.00 31.14 H new ATOM 0 HG3 GLN A 398 -0.947 -3.675 6.488 1.00 31.14 H new ATOM 0 HE21 GLN A 398 -3.219 -3.979 6.238 1.00 3.31 H new ATOM 0 HE22 GLN A 398 -4.312 -3.889 7.623 1.00 3.31 H new ATOM 73 N LYS A 399 -0.398 -8.391 5.035 1.00 42.12 N ATOM 74 CA LYS A 399 0.556 -9.416 4.584 1.00 43.01 C ATOM 75 C LYS A 399 1.748 -8.676 3.947 1.00 24.25 C ATOM 76 O LYS A 399 1.632 -8.150 2.837 1.00 70.14 O ATOM 77 CB LYS A 399 -0.095 -10.415 3.549 1.00 31.54 C ATOM 78 CG LYS A 399 -0.623 -11.800 4.057 1.00 11.13 C ATOM 79 CD LYS A 399 0.480 -12.747 4.610 1.00 1.44 C ATOM 80 CE LYS A 399 0.027 -14.214 4.636 1.00 32.12 C ATOM 81 NZ LYS A 399 -0.337 -14.726 3.282 1.00 35.20 N ATOM 0 H LYS A 399 -1.069 -8.071 4.337 1.00 42.12 H new ATOM 0 HA LYS A 399 0.876 -10.022 5.432 1.00 43.01 H new ATOM 0 HB2 LYS A 399 -0.930 -9.899 3.074 1.00 31.54 H new ATOM 0 HB3 LYS A 399 0.643 -10.610 2.771 1.00 31.54 H new ATOM 0 HG2 LYS A 399 -1.362 -11.628 4.839 1.00 11.13 H new ATOM 0 HG3 LYS A 399 -1.137 -12.302 3.237 1.00 11.13 H new ATOM 0 HD2 LYS A 399 1.376 -12.656 3.996 1.00 1.44 H new ATOM 0 HD3 LYS A 399 0.752 -12.435 5.618 1.00 1.44 H new ATOM 0 HE2 LYS A 399 0.825 -14.830 5.051 1.00 32.12 H new ATOM 0 HE3 LYS A 399 -0.831 -14.314 5.301 1.00 32.12 H new ATOM 0 HZ1 LYS A 399 -0.240 -15.761 3.265 1.00 35.20 H new ATOM 0 HZ2 LYS A 399 -1.321 -14.467 3.066 1.00 35.20 H new ATOM 0 HZ3 LYS A 399 0.296 -14.307 2.571 1.00 35.20 H new ATOM 95 N GLU A 400 2.886 -8.636 4.658 1.00 60.43 N ATOM 96 CA GLU A 400 4.169 -8.177 4.073 1.00 50.01 C ATOM 97 C GLU A 400 4.890 -9.412 3.470 1.00 14.22 C ATOM 98 O GLU A 400 4.652 -10.504 4.007 1.00 12.14 O ATOM 99 CB GLU A 400 5.005 -7.405 5.172 1.00 21.23 C ATOM 100 CG GLU A 400 5.344 -8.173 6.483 1.00 24.32 C ATOM 101 CD GLU A 400 6.205 -7.326 7.389 1.00 14.32 C ATOM 102 OE1 GLU A 400 5.654 -6.487 8.128 1.00 64.21 O ATOM 103 OE2 GLU A 400 7.433 -7.483 7.342 1.00 11.34 O ATOM 0 H GLU A 400 2.950 -8.914 5.637 1.00 60.43 H new ATOM 0 HA GLU A 400 4.021 -7.463 3.263 1.00 50.01 H new ATOM 0 HB2 GLU A 400 5.942 -7.083 4.718 1.00 21.23 H new ATOM 0 HB3 GLU A 400 4.455 -6.503 5.442 1.00 21.23 H new ATOM 0 HG2 GLU A 400 4.424 -8.446 6.999 1.00 24.32 H new ATOM 0 HG3 GLU A 400 5.863 -9.101 6.243 1.00 24.32 H new ATOM 110 N GLY A 401 5.635 -9.291 2.300 1.00 50.11 N ATOM 111 CA GLY A 401 6.337 -10.411 1.719 1.00 63.02 C ATOM 112 C GLY A 401 7.042 -11.380 2.681 1.00 4.25 C ATOM 113 O GLY A 401 7.593 -10.969 3.700 1.00 23.50 O ATOM 0 H GLY A 401 5.736 -8.419 1.780 1.00 50.11 H new ATOM 0 HA2 GLY A 401 5.624 -10.984 1.126 1.00 63.02 H new ATOM 0 HA3 GLY A 401 7.084 -10.019 1.029 1.00 63.02 H new ATOM 117 N PRO A 402 7.039 -12.707 2.369 1.00 34.53 N ATOM 118 CA PRO A 402 7.534 -13.763 3.249 1.00 33.52 C ATOM 119 C PRO A 402 9.064 -13.905 3.165 1.00 60.41 C ATOM 120 O PRO A 402 9.748 -13.050 2.593 1.00 13.44 O ATOM 121 CB PRO A 402 6.839 -15.010 2.699 1.00 74.05 C ATOM 122 CG PRO A 402 6.949 -14.801 1.252 1.00 61.14 C ATOM 123 CD PRO A 402 6.620 -13.331 1.077 1.00 74.02 C ATOM 0 HA PRO A 402 7.326 -13.572 4.302 1.00 33.52 H new ATOM 0 HB2 PRO A 402 7.333 -15.928 3.018 1.00 74.05 H new ATOM 0 HB3 PRO A 402 5.801 -15.077 3.025 1.00 74.05 H new ATOM 0 HG2 PRO A 402 7.950 -15.034 0.888 1.00 61.14 H new ATOM 0 HG3 PRO A 402 6.254 -15.435 0.701 1.00 61.14 H new ATOM 0 HD2 PRO A 402 7.158 -12.900 0.233 1.00 74.02 H new ATOM 0 HD3 PRO A 402 5.557 -13.180 0.888 1.00 74.02 H new ATOM 131 N GLU A 403 9.558 -14.949 3.834 1.00 2.20 N ATOM 132 CA GLU A 403 10.965 -15.417 3.825 1.00 25.21 C ATOM 133 C GLU A 403 11.787 -15.034 2.512 1.00 43.41 C ATOM 134 O GLU A 403 11.577 -15.659 1.465 1.00 55.41 O ATOM 135 CB GLU A 403 10.754 -16.968 3.847 1.00 40.13 C ATOM 136 CG GLU A 403 11.439 -17.694 4.984 1.00 33.12 C ATOM 137 CD GLU A 403 10.950 -19.117 5.099 1.00 63.11 C ATOM 138 OE1 GLU A 403 11.534 -20.008 4.443 1.00 41.33 O ATOM 139 OE2 GLU A 403 9.967 -19.345 5.834 1.00 2.25 O ATOM 0 H GLU A 403 8.966 -15.527 4.430 1.00 2.20 H new ATOM 0 HA GLU A 403 11.541 -14.976 4.638 1.00 25.21 H new ATOM 0 HB2 GLU A 403 9.685 -17.173 3.898 1.00 40.13 H new ATOM 0 HB3 GLU A 403 11.113 -17.381 2.904 1.00 40.13 H new ATOM 0 HG2 GLU A 403 12.517 -17.689 4.824 1.00 33.12 H new ATOM 0 HG3 GLU A 403 11.253 -17.167 5.920 1.00 33.12 H new ATOM 146 N GLY A 404 12.700 -13.980 2.550 1.00 51.02 N ATOM 147 CA GLY A 404 13.698 -13.771 1.481 1.00 2.14 C ATOM 148 C GLY A 404 13.252 -12.880 0.339 1.00 0.22 C ATOM 149 O GLY A 404 14.116 -12.256 -0.294 1.00 34.50 O ATOM 0 H GLY A 404 12.742 -13.293 3.303 1.00 51.02 H new ATOM 0 HA2 GLY A 404 14.596 -13.341 1.925 1.00 2.14 H new ATOM 0 HA3 GLY A 404 13.977 -14.743 1.073 1.00 2.14 H new ATOM 153 N ALA A 405 11.955 -12.787 0.036 1.00 51.13 N ATOM 154 CA ALA A 405 11.561 -11.819 -0.971 1.00 63.34 C ATOM 155 C ALA A 405 10.686 -10.759 -0.361 1.00 53.31 C ATOM 156 O ALA A 405 9.640 -11.018 0.234 1.00 15.42 O ATOM 157 CB ALA A 405 10.921 -12.467 -2.177 1.00 12.23 C ATOM 0 H ALA A 405 11.203 -13.338 0.450 1.00 51.13 H new ATOM 0 HA ALA A 405 12.465 -11.337 -1.343 1.00 63.34 H new ATOM 0 HB1 ALA A 405 10.645 -11.699 -2.899 1.00 12.23 H new ATOM 0 HB2 ALA A 405 11.627 -13.160 -2.635 1.00 12.23 H new ATOM 0 HB3 ALA A 405 10.029 -13.011 -1.867 1.00 12.23 H new ATOM 163 N ASN A 406 11.153 -9.564 -0.583 1.00 43.33 N ATOM 164 CA ASN A 406 10.710 -8.387 0.200 1.00 32.54 C ATOM 165 C ASN A 406 10.512 -7.163 -0.724 1.00 22.34 C ATOM 166 O ASN A 406 11.528 -6.718 -1.279 1.00 4.52 O ATOM 167 CB ASN A 406 11.771 -8.084 1.306 1.00 41.11 C ATOM 168 CG ASN A 406 11.932 -9.195 2.342 1.00 70.32 C ATOM 169 OD1 ASN A 406 12.821 -10.039 2.230 1.00 44.22 O ATOM 170 ND2 ASN A 406 11.077 -9.199 3.365 1.00 61.31 N ATOM 0 H ASN A 406 11.847 -9.352 -1.300 1.00 43.33 H new ATOM 0 HA ASN A 406 9.751 -8.602 0.672 1.00 32.54 H new ATOM 0 HB2 ASN A 406 12.735 -7.905 0.829 1.00 41.11 H new ATOM 0 HB3 ASN A 406 11.492 -7.163 1.818 1.00 41.11 H new ATOM 0 HD21 ASN A 406 11.148 -9.917 4.086 1.00 61.31 H new ATOM 0 HD22 ASN A 406 10.352 -8.484 3.427 1.00 61.31 H new ATOM 177 N LEU A 407 9.287 -6.551 -0.953 1.00 53.45 N ATOM 178 CA LEU A 407 9.253 -5.574 -2.065 1.00 2.50 C ATOM 179 C LEU A 407 8.532 -4.290 -1.565 1.00 60.43 C ATOM 180 O LEU A 407 7.321 -4.332 -1.354 1.00 72.25 O ATOM 181 CB LEU A 407 8.557 -6.199 -3.371 1.00 11.42 C ATOM 182 CG LEU A 407 9.225 -7.395 -4.141 1.00 25.45 C ATOM 183 CD1 LEU A 407 9.121 -8.736 -3.413 1.00 40.22 C ATOM 184 CD2 LEU A 407 8.548 -7.538 -5.489 1.00 30.03 C ATOM 0 H LEU A 407 8.419 -6.704 -0.440 1.00 53.45 H new ATOM 0 HA LEU A 407 10.268 -5.315 -2.366 1.00 2.50 H new ATOM 0 HB2 LEU A 407 7.559 -6.524 -3.078 1.00 11.42 H new ATOM 0 HB3 LEU A 407 8.431 -5.387 -4.087 1.00 11.42 H new ATOM 0 HG LEU A 407 10.285 -7.158 -4.227 1.00 25.45 H new ATOM 0 HD11 LEU A 407 9.605 -9.511 -4.007 1.00 40.22 H new ATOM 0 HD12 LEU A 407 9.613 -8.662 -2.443 1.00 40.22 H new ATOM 0 HD13 LEU A 407 8.071 -8.991 -3.269 1.00 40.22 H new ATOM 0 HD21 LEU A 407 9.000 -8.365 -6.037 1.00 30.03 H new ATOM 0 HD22 LEU A 407 7.486 -7.737 -5.344 1.00 30.03 H new ATOM 0 HD23 LEU A 407 8.670 -6.616 -6.057 1.00 30.03 H new ATOM 196 N PHE A 408 9.253 -3.118 -1.334 1.00 30.54 N ATOM 197 CA PHE A 408 8.491 -1.883 -0.975 1.00 15.35 C ATOM 198 C PHE A 408 8.503 -0.793 -2.093 1.00 20.41 C ATOM 199 O PHE A 408 9.579 -0.317 -2.468 1.00 4.43 O ATOM 200 CB PHE A 408 8.946 -1.298 0.407 1.00 41.43 C ATOM 201 CG PHE A 408 10.308 -0.621 0.521 1.00 54.43 C ATOM 202 CD1 PHE A 408 11.511 -1.327 0.462 1.00 64.33 C ATOM 203 CD2 PHE A 408 10.366 0.756 0.737 1.00 51.43 C ATOM 204 CE1 PHE A 408 12.719 -0.676 0.612 1.00 64.33 C ATOM 205 CE2 PHE A 408 11.568 1.400 0.882 1.00 20.45 C ATOM 206 CZ PHE A 408 12.746 0.687 0.817 1.00 3.25 C ATOM 0 H PHE A 408 10.267 -3.021 -1.387 1.00 30.54 H new ATOM 0 HA PHE A 408 7.452 -2.198 -0.879 1.00 15.35 H new ATOM 0 HB2 PHE A 408 8.194 -0.574 0.720 1.00 41.43 H new ATOM 0 HB3 PHE A 408 8.924 -2.113 1.130 1.00 41.43 H new ATOM 0 HD1 PHE A 408 11.496 -2.394 0.297 1.00 64.33 H new ATOM 0 HD2 PHE A 408 9.449 1.324 0.791 1.00 51.43 H new ATOM 0 HE1 PHE A 408 13.643 -1.234 0.569 1.00 64.33 H new ATOM 0 HE2 PHE A 408 11.592 2.467 1.047 1.00 20.45 H new ATOM 0 HZ PHE A 408 13.692 1.197 0.927 1.00 3.25 H new ATOM 216 N ILE A 409 7.318 -0.406 -2.660 1.00 24.42 N ATOM 217 CA ILE A 409 7.300 0.769 -3.603 1.00 54.14 C ATOM 218 C ILE A 409 6.808 2.063 -2.943 1.00 31.23 C ATOM 219 O ILE A 409 5.714 2.112 -2.368 1.00 2.13 O ATOM 220 CB ILE A 409 6.505 0.504 -4.937 1.00 41.42 C ATOM 221 CG1 ILE A 409 6.199 -1.024 -5.175 1.00 14.12 C ATOM 222 CG2 ILE A 409 7.355 1.081 -6.104 1.00 62.13 C ATOM 223 CD1 ILE A 409 4.716 -1.393 -5.432 1.00 63.12 C ATOM 0 H ILE A 409 6.416 -0.854 -2.498 1.00 24.42 H new ATOM 0 HA ILE A 409 8.348 0.903 -3.873 1.00 54.14 H new ATOM 0 HB ILE A 409 5.532 0.992 -4.875 1.00 41.42 H new ATOM 0 HG12 ILE A 409 6.789 -1.363 -6.027 1.00 14.12 H new ATOM 0 HG13 ILE A 409 6.545 -1.582 -4.305 1.00 14.12 H new ATOM 0 HG21 ILE A 409 6.836 0.916 -7.048 1.00 62.13 H new ATOM 0 HG22 ILE A 409 7.502 2.150 -5.953 1.00 62.13 H new ATOM 0 HG23 ILE A 409 8.323 0.581 -6.130 1.00 62.13 H new ATOM 0 HD11 ILE A 409 4.629 -2.469 -5.581 1.00 63.12 H new ATOM 0 HD12 ILE A 409 4.113 -1.096 -4.574 1.00 63.12 H new ATOM 0 HD13 ILE A 409 4.361 -0.873 -6.322 1.00 63.12 H new ATOM 235 N TYR A 410 7.657 3.118 -3.037 1.00 4.52 N ATOM 236 CA TYR A 410 7.337 4.453 -2.481 1.00 12.13 C ATOM 237 C TYR A 410 7.556 5.562 -3.548 1.00 10.13 C ATOM 238 O TYR A 410 8.243 5.297 -4.542 1.00 23.34 O ATOM 239 CB TYR A 410 8.159 4.749 -1.168 1.00 54.05 C ATOM 240 CG TYR A 410 9.679 5.097 -1.292 1.00 52.00 C ATOM 241 CD1 TYR A 410 10.122 6.426 -1.467 1.00 74.11 C ATOM 242 CD2 TYR A 410 10.681 4.117 -1.163 1.00 22.54 C ATOM 243 CE1 TYR A 410 11.471 6.744 -1.538 1.00 71.44 C ATOM 244 CE2 TYR A 410 12.037 4.448 -1.231 1.00 30.35 C ATOM 245 CZ TYR A 410 12.417 5.758 -1.414 1.00 72.11 C ATOM 246 OH TYR A 410 13.755 6.076 -1.490 1.00 5.04 O ATOM 0 H TYR A 410 8.568 3.067 -3.493 1.00 4.52 H new ATOM 0 HA TYR A 410 6.282 4.453 -2.206 1.00 12.13 H new ATOM 0 HB2 TYR A 410 7.672 5.577 -0.654 1.00 54.05 H new ATOM 0 HB3 TYR A 410 8.072 3.876 -0.521 1.00 54.05 H new ATOM 0 HD1 TYR A 410 9.391 7.217 -1.548 1.00 74.11 H new ATOM 0 HD2 TYR A 410 10.396 3.087 -1.008 1.00 22.54 H new ATOM 0 HE1 TYR A 410 11.776 7.769 -1.691 1.00 71.44 H new ATOM 0 HE2 TYR A 410 12.787 3.676 -1.140 1.00 30.35 H new ATOM 0 HH TYR A 410 14.291 5.263 -1.381 1.00 5.04 H new ATOM 256 N HIS A 411 6.955 6.796 -3.352 1.00 61.12 N ATOM 257 CA HIS A 411 7.126 7.950 -4.279 1.00 22.41 C ATOM 258 C HIS A 411 6.479 7.694 -5.675 1.00 70.32 C ATOM 259 O HIS A 411 6.993 8.176 -6.689 1.00 15.55 O ATOM 260 CB HIS A 411 8.615 8.370 -4.424 1.00 51.44 C ATOM 261 CG HIS A 411 8.967 9.654 -3.695 1.00 21.33 C ATOM 262 ND1 HIS A 411 9.885 9.698 -2.658 1.00 51.04 N ATOM 263 CD2 HIS A 411 8.521 10.943 -3.840 1.00 1.11 C ATOM 264 CE1 HIS A 411 10.007 10.943 -2.226 1.00 22.24 C ATOM 265 NE2 HIS A 411 9.182 11.711 -2.907 1.00 70.21 N ATOM 0 H HIS A 411 6.351 7.000 -2.555 1.00 61.12 H new ATOM 0 HA HIS A 411 6.592 8.783 -3.823 1.00 22.41 H new ATOM 0 HB2 HIS A 411 9.247 7.566 -4.048 1.00 51.44 H new ATOM 0 HB3 HIS A 411 8.847 8.490 -5.482 1.00 51.44 H new ATOM 0 HD1 HIS A 411 10.390 8.894 -2.285 1.00 51.04 H new ATOM 0 HD2 HIS A 411 7.788 11.291 -4.553 1.00 1.11 H new ATOM 0 HE1 HIS A 411 10.674 11.275 -1.444 1.00 22.24 H new ATOM 274 N LEU A 412 5.335 6.958 -5.704 1.00 72.33 N ATOM 275 CA LEU A 412 4.594 6.663 -6.968 1.00 22.41 C ATOM 276 C LEU A 412 4.150 7.933 -7.761 1.00 54.51 C ATOM 277 O LEU A 412 3.755 8.954 -7.182 1.00 34.31 O ATOM 278 CB LEU A 412 3.341 5.731 -6.721 1.00 74.24 C ATOM 279 CG LEU A 412 2.394 6.104 -5.555 1.00 33.10 C ATOM 280 CD1 LEU A 412 1.351 7.175 -5.862 1.00 11.51 C ATOM 281 CD2 LEU A 412 1.672 4.902 -4.982 1.00 34.11 C ATOM 0 H LEU A 412 4.904 6.558 -4.870 1.00 72.33 H new ATOM 0 HA LEU A 412 5.321 6.136 -7.586 1.00 22.41 H new ATOM 0 HB2 LEU A 412 2.753 5.708 -7.638 1.00 74.24 H new ATOM 0 HB3 LEU A 412 3.704 4.718 -6.549 1.00 74.24 H new ATOM 0 HG LEU A 412 3.087 6.525 -4.826 1.00 33.10 H new ATOM 0 HD11 LEU A 412 0.744 7.356 -4.975 1.00 11.51 H new ATOM 0 HD12 LEU A 412 1.852 8.098 -6.154 1.00 11.51 H new ATOM 0 HD13 LEU A 412 0.711 6.837 -6.677 1.00 11.51 H new ATOM 0 HD21 LEU A 412 1.022 5.222 -4.168 1.00 34.11 H new ATOM 0 HD22 LEU A 412 1.073 4.432 -5.762 1.00 34.11 H new ATOM 0 HD23 LEU A 412 2.401 4.186 -4.604 1.00 34.11 H new ATOM 293 N PRO A 413 4.300 7.887 -9.113 1.00 74.02 N ATOM 294 CA PRO A 413 3.659 8.817 -10.093 1.00 24.55 C ATOM 295 C PRO A 413 2.123 8.730 -10.113 1.00 41.04 C ATOM 296 O PRO A 413 1.565 7.822 -9.532 1.00 23.31 O ATOM 297 CB PRO A 413 4.263 8.367 -11.417 1.00 22.53 C ATOM 298 CG PRO A 413 4.603 6.955 -11.183 1.00 72.04 C ATOM 299 CD PRO A 413 5.191 6.953 -9.829 1.00 14.02 C ATOM 0 HA PRO A 413 3.845 9.863 -9.849 1.00 24.55 H new ATOM 0 HB2 PRO A 413 3.555 8.478 -12.238 1.00 22.53 H new ATOM 0 HB3 PRO A 413 5.145 8.954 -11.675 1.00 22.53 H new ATOM 0 HG2 PRO A 413 3.721 6.317 -11.237 1.00 72.04 H new ATOM 0 HG3 PRO A 413 5.309 6.585 -11.926 1.00 72.04 H new ATOM 0 HD2 PRO A 413 5.186 5.959 -9.382 1.00 14.02 H new ATOM 0 HD3 PRO A 413 6.226 7.296 -9.832 1.00 14.02 H new ATOM 307 N GLN A 414 1.469 9.704 -10.774 1.00 71.14 N ATOM 308 CA GLN A 414 -0.012 9.908 -10.683 1.00 51.33 C ATOM 309 C GLN A 414 -0.823 8.753 -11.372 1.00 11.11 C ATOM 310 O GLN A 414 -1.985 8.544 -11.022 1.00 14.44 O ATOM 311 CB GLN A 414 -0.367 11.341 -11.249 1.00 44.52 C ATOM 312 CG GLN A 414 -1.420 11.455 -12.393 1.00 24.32 C ATOM 313 CD GLN A 414 -1.417 12.846 -13.009 1.00 33.14 C ATOM 314 OE1 GLN A 414 -2.150 13.732 -12.576 1.00 31.42 O ATOM 315 NE2 GLN A 414 -0.579 13.052 -14.026 1.00 43.32 N ATOM 0 H GLN A 414 1.937 10.373 -11.385 1.00 71.14 H new ATOM 0 HA GLN A 414 -0.314 9.866 -9.637 1.00 51.33 H new ATOM 0 HB2 GLN A 414 -0.719 11.948 -10.415 1.00 44.52 H new ATOM 0 HB3 GLN A 414 0.558 11.794 -11.605 1.00 44.52 H new ATOM 0 HG2 GLN A 414 -1.206 10.713 -13.163 1.00 24.32 H new ATOM 0 HG3 GLN A 414 -2.412 11.230 -12.001 1.00 24.32 H new ATOM 0 HE21 GLN A 414 0.015 12.293 -14.359 1.00 43.32 H new ATOM 0 HE22 GLN A 414 -0.532 13.969 -14.471 1.00 43.32 H new ATOM 324 N GLU A 415 -0.219 8.005 -12.340 1.00 33.41 N ATOM 325 CA GLU A 415 -0.904 6.815 -12.934 1.00 24.44 C ATOM 326 C GLU A 415 -0.768 5.568 -12.036 1.00 11.25 C ATOM 327 O GLU A 415 -1.699 4.780 -11.961 1.00 51.11 O ATOM 328 CB GLU A 415 -0.390 6.456 -14.350 1.00 24.34 C ATOM 329 CG GLU A 415 0.532 7.499 -15.025 1.00 71.30 C ATOM 330 CD GLU A 415 1.018 7.063 -16.398 1.00 11.32 C ATOM 331 OE1 GLU A 415 0.291 7.287 -17.384 1.00 12.21 O ATOM 332 OE2 GLU A 415 2.143 6.519 -16.492 1.00 22.31 O ATOM 0 H GLU A 415 0.710 8.194 -12.717 1.00 33.41 H new ATOM 0 HA GLU A 415 -1.951 7.107 -13.011 1.00 24.44 H new ATOM 0 HB2 GLU A 415 0.149 5.510 -14.290 1.00 24.34 H new ATOM 0 HB3 GLU A 415 -1.252 6.291 -14.996 1.00 24.34 H new ATOM 0 HG2 GLU A 415 -0.004 8.443 -15.119 1.00 71.30 H new ATOM 0 HG3 GLU A 415 1.393 7.684 -14.383 1.00 71.30 H new ATOM 339 N PHE A 416 0.407 5.376 -11.419 1.00 63.44 N ATOM 340 CA PHE A 416 0.553 4.439 -10.247 1.00 32.42 C ATOM 341 C PHE A 416 -0.192 4.988 -8.966 1.00 41.15 C ATOM 342 O PHE A 416 -0.493 6.176 -8.865 1.00 61.04 O ATOM 343 CB PHE A 416 2.046 4.013 -9.956 1.00 53.11 C ATOM 344 CG PHE A 416 2.675 2.935 -10.861 1.00 71.44 C ATOM 345 CD1 PHE A 416 2.098 2.471 -12.061 1.00 60.12 C ATOM 346 CD2 PHE A 416 3.892 2.359 -10.465 1.00 24.23 C ATOM 347 CE1 PHE A 416 2.724 1.472 -12.812 1.00 35.13 C ATOM 348 CE2 PHE A 416 4.498 1.367 -11.211 1.00 12.01 C ATOM 349 CZ PHE A 416 3.920 0.933 -12.384 1.00 73.42 C ATOM 0 H PHE A 416 1.273 5.841 -11.692 1.00 63.44 H new ATOM 0 HA PHE A 416 0.054 3.514 -10.535 1.00 32.42 H new ATOM 0 HB2 PHE A 416 2.667 4.906 -10.018 1.00 53.11 H new ATOM 0 HB3 PHE A 416 2.099 3.659 -8.927 1.00 53.11 H new ATOM 0 HD1 PHE A 416 1.164 2.891 -12.403 1.00 60.12 H new ATOM 0 HD2 PHE A 416 4.366 2.699 -9.556 1.00 24.23 H new ATOM 0 HE1 PHE A 416 2.271 1.122 -13.728 1.00 35.13 H new ATOM 0 HE2 PHE A 416 5.427 0.931 -10.874 1.00 12.01 H new ATOM 0 HZ PHE A 416 4.405 0.167 -12.971 1.00 73.42 H new ATOM 359 N GLY A 417 -0.513 4.091 -8.012 1.00 40.51 N ATOM 360 CA GLY A 417 -1.679 4.261 -7.100 1.00 0.44 C ATOM 361 C GLY A 417 -2.194 2.869 -6.680 1.00 55.53 C ATOM 362 O GLY A 417 -1.486 1.900 -6.954 1.00 73.24 O ATOM 0 H GLY A 417 0.017 3.235 -7.847 1.00 40.51 H new ATOM 0 HA2 GLY A 417 -1.389 4.836 -6.221 1.00 0.44 H new ATOM 0 HA3 GLY A 417 -2.470 4.820 -7.600 1.00 0.44 H new ATOM 366 N ASP A 418 -3.408 2.692 -6.077 1.00 33.22 N ATOM 367 CA ASP A 418 -3.658 1.385 -5.406 1.00 4.31 C ATOM 368 C ASP A 418 -4.123 0.218 -6.286 1.00 34.22 C ATOM 369 O ASP A 418 -3.457 -0.827 -6.262 1.00 24.21 O ATOM 370 CB ASP A 418 -4.484 1.374 -4.103 1.00 31.41 C ATOM 371 CG ASP A 418 -5.702 2.249 -4.092 1.00 52.34 C ATOM 372 OD1 ASP A 418 -6.724 1.853 -4.685 1.00 62.21 O ATOM 373 OD2 ASP A 418 -5.652 3.307 -3.441 1.00 13.25 O ATOM 0 H ASP A 418 -4.166 3.373 -6.041 1.00 33.22 H new ATOM 0 HA ASP A 418 -2.618 1.216 -5.128 1.00 4.31 H new ATOM 0 HB2 ASP A 418 -4.795 0.349 -3.901 1.00 31.41 H new ATOM 0 HB3 ASP A 418 -3.835 1.678 -3.282 1.00 31.41 H new ATOM 378 N GLN A 419 -5.250 0.332 -7.042 1.00 10.55 N ATOM 379 CA GLN A 419 -5.772 -0.838 -7.746 1.00 55.34 C ATOM 380 C GLN A 419 -4.918 -1.064 -9.030 1.00 0.13 C ATOM 381 O GLN A 419 -4.915 -2.144 -9.630 1.00 51.33 O ATOM 382 CB GLN A 419 -7.303 -0.733 -8.046 1.00 32.44 C ATOM 383 CG GLN A 419 -8.011 -2.102 -8.279 1.00 3.35 C ATOM 384 CD GLN A 419 -8.062 -2.558 -9.734 1.00 41.20 C ATOM 385 OE1 GLN A 419 -8.337 -1.637 -10.647 1.00 64.02 O flip ATOM 386 NE2 GLN A 419 -7.946 -3.751 -10.023 1.00 53.12 N flip ATOM 0 H GLN A 419 -5.785 1.191 -7.168 1.00 10.55 H new ATOM 0 HA GLN A 419 -5.682 -1.712 -7.100 1.00 55.34 H new ATOM 0 HB2 GLN A 419 -7.789 -0.224 -7.214 1.00 32.44 H new ATOM 0 HB3 GLN A 419 -7.446 -0.110 -8.929 1.00 32.44 H new ATOM 0 HG2 GLN A 419 -7.499 -2.864 -7.692 1.00 3.35 H new ATOM 0 HG3 GLN A 419 -9.030 -2.037 -7.898 1.00 3.35 H new ATOM 0 HE21 GLN A 419 -7.734 -4.434 -9.295 1.00 53.12 H new ATOM 0 HE22 GLN A 419 -8.062 -4.055 -10.990 1.00 53.12 H new ATOM 395 N ASP A 420 -4.146 -0.028 -9.404 1.00 72.24 N ATOM 396 CA ASP A 420 -3.228 -0.101 -10.542 1.00 42.31 C ATOM 397 C ASP A 420 -1.829 -0.677 -10.178 1.00 3.10 C ATOM 398 O ASP A 420 -1.017 -0.921 -11.080 1.00 52.52 O ATOM 399 CB ASP A 420 -3.121 1.242 -11.293 1.00 74.43 C ATOM 400 CG ASP A 420 -3.508 2.440 -10.454 1.00 63.33 C ATOM 401 OD1 ASP A 420 -2.646 2.977 -9.776 1.00 53.12 O ATOM 402 OD2 ASP A 420 -4.692 2.838 -10.478 1.00 51.23 O ATOM 0 H ASP A 420 -4.144 0.874 -8.927 1.00 72.24 H new ATOM 0 HA ASP A 420 -3.674 -0.821 -11.228 1.00 42.31 H new ATOM 0 HB2 ASP A 420 -2.097 1.371 -11.645 1.00 74.43 H new ATOM 0 HB3 ASP A 420 -3.759 1.206 -12.176 1.00 74.43 H new ATOM 407 N ILE A 421 -1.534 -0.883 -8.869 1.00 42.32 N ATOM 408 CA ILE A 421 -0.242 -1.505 -8.438 1.00 72.10 C ATOM 409 C ILE A 421 -0.277 -2.998 -8.815 1.00 10.40 C ATOM 410 O ILE A 421 0.741 -3.577 -9.213 1.00 33.23 O ATOM 411 CB ILE A 421 0.045 -1.291 -6.883 1.00 51.32 C ATOM 412 CG1 ILE A 421 1.054 -0.125 -6.617 1.00 23.22 C ATOM 413 CG2 ILE A 421 0.573 -2.558 -6.160 1.00 5.12 C ATOM 414 CD1 ILE A 421 0.927 0.491 -5.194 1.00 54.20 C ATOM 0 H ILE A 421 -2.157 -0.635 -8.101 1.00 42.32 H new ATOM 0 HA ILE A 421 0.583 -1.014 -8.955 1.00 72.10 H new ATOM 0 HB ILE A 421 -0.933 -1.041 -6.472 1.00 51.32 H new ATOM 0 HG12 ILE A 421 2.070 -0.495 -6.755 1.00 23.22 H new ATOM 0 HG13 ILE A 421 0.897 0.658 -7.359 1.00 23.22 H new ATOM 0 HG21 ILE A 421 0.744 -2.332 -5.108 1.00 5.12 H new ATOM 0 HG22 ILE A 421 -0.162 -3.358 -6.244 1.00 5.12 H new ATOM 0 HG23 ILE A 421 1.509 -2.876 -6.619 1.00 5.12 H new ATOM 0 HD11 ILE A 421 1.656 1.293 -5.078 1.00 54.20 H new ATOM 0 HD12 ILE A 421 -0.078 0.891 -5.059 1.00 54.20 H new ATOM 0 HD13 ILE A 421 1.114 -0.280 -4.446 1.00 54.20 H new ATOM 426 N LEU A 422 -1.489 -3.575 -8.728 1.00 43.52 N ATOM 427 CA LEU A 422 -1.794 -4.926 -9.178 1.00 14.44 C ATOM 428 C LEU A 422 -1.519 -5.071 -10.728 1.00 51.13 C ATOM 429 O LEU A 422 -1.337 -6.194 -11.196 1.00 23.30 O ATOM 430 CB LEU A 422 -3.314 -5.304 -8.881 1.00 13.44 C ATOM 431 CG LEU A 422 -3.988 -4.812 -7.519 1.00 40.55 C ATOM 432 CD1 LEU A 422 -5.376 -5.443 -7.321 1.00 4.32 C ATOM 433 CD2 LEU A 422 -3.130 -5.098 -6.244 1.00 54.32 C ATOM 0 H LEU A 422 -2.297 -3.095 -8.332 1.00 43.52 H new ATOM 0 HA LEU A 422 -1.146 -5.607 -8.626 1.00 14.44 H new ATOM 0 HB2 LEU A 422 -3.915 -4.916 -9.703 1.00 13.44 H new ATOM 0 HB3 LEU A 422 -3.394 -6.391 -8.913 1.00 13.44 H new ATOM 0 HG LEU A 422 -4.070 -3.731 -7.629 1.00 40.55 H new ATOM 0 HD11 LEU A 422 -5.807 -5.088 -6.385 1.00 4.32 H new ATOM 0 HD12 LEU A 422 -6.025 -5.161 -8.150 1.00 4.32 H new ATOM 0 HD13 LEU A 422 -5.281 -6.528 -7.287 1.00 4.32 H new ATOM 0 HD21 LEU A 422 -3.657 -4.734 -5.362 1.00 54.32 H new ATOM 0 HD22 LEU A 422 -2.964 -6.171 -6.150 1.00 54.32 H new ATOM 0 HD23 LEU A 422 -2.170 -4.588 -6.329 1.00 54.32 H new ATOM 445 N GLN A 423 -1.451 -3.934 -11.528 1.00 10.40 N ATOM 446 CA GLN A 423 -1.622 -3.998 -12.981 1.00 13.02 C ATOM 447 C GLN A 423 -0.294 -4.218 -13.736 1.00 50.42 C ATOM 448 O GLN A 423 -0.171 -5.187 -14.494 1.00 64.32 O ATOM 449 CB GLN A 423 -2.369 -2.747 -13.520 1.00 73.11 C ATOM 450 CG GLN A 423 -3.913 -2.785 -13.338 1.00 15.31 C ATOM 451 CD GLN A 423 -4.598 -1.450 -13.621 1.00 60.44 C ATOM 452 OE1 GLN A 423 -5.664 -1.169 -13.079 1.00 53.35 O ATOM 453 NE2 GLN A 423 -3.993 -0.615 -14.453 1.00 72.21 N ATOM 0 H GLN A 423 -1.281 -2.995 -11.167 1.00 10.40 H new ATOM 0 HA GLN A 423 -2.239 -4.876 -13.175 1.00 13.02 H new ATOM 0 HB2 GLN A 423 -1.979 -1.862 -13.016 1.00 73.11 H new ATOM 0 HB3 GLN A 423 -2.144 -2.635 -14.581 1.00 73.11 H new ATOM 0 HG2 GLN A 423 -4.329 -3.544 -14.000 1.00 15.31 H new ATOM 0 HG3 GLN A 423 -4.142 -3.092 -12.317 1.00 15.31 H new ATOM 0 HE21 GLN A 423 -3.108 -0.879 -14.887 1.00 72.21 H new ATOM 0 HE22 GLN A 423 -4.412 0.292 -14.660 1.00 72.21 H new ATOM 462 N MET A 424 0.707 -3.328 -13.542 1.00 1.05 N ATOM 463 CA MET A 424 1.971 -3.406 -14.305 1.00 31.01 C ATOM 464 C MET A 424 2.976 -4.459 -13.779 1.00 30.40 C ATOM 465 O MET A 424 3.873 -4.852 -14.528 1.00 52.30 O ATOM 466 CB MET A 424 2.688 -2.035 -14.403 1.00 62.20 C ATOM 467 CG MET A 424 2.208 -1.102 -15.520 1.00 21.22 C ATOM 468 SD MET A 424 0.537 -0.477 -15.268 1.00 14.42 S ATOM 469 CE MET A 424 0.433 0.710 -16.606 1.00 41.25 C ATOM 0 H MET A 424 0.664 -2.559 -12.873 1.00 1.05 H new ATOM 0 HA MET A 424 1.650 -3.727 -15.296 1.00 31.01 H new ATOM 0 HB2 MET A 424 2.572 -1.518 -13.450 1.00 62.20 H new ATOM 0 HB3 MET A 424 3.754 -2.214 -14.540 1.00 62.20 H new ATOM 0 HG2 MET A 424 2.895 -0.259 -15.598 1.00 21.22 H new ATOM 0 HG3 MET A 424 2.248 -1.635 -16.470 1.00 21.22 H new ATOM 0 HE1 MET A 424 -0.546 1.189 -16.592 1.00 41.25 H new ATOM 0 HE2 MET A 424 1.209 1.466 -16.483 1.00 41.25 H new ATOM 0 HE3 MET A 424 0.573 0.198 -17.558 1.00 41.25 H new ATOM 479 N PHE A 425 2.855 -4.929 -12.525 1.00 32.41 N ATOM 480 CA PHE A 425 3.863 -5.846 -11.958 1.00 53.44 C ATOM 481 C PHE A 425 3.550 -7.337 -12.251 1.00 71.31 C ATOM 482 O PHE A 425 4.295 -8.227 -11.831 1.00 54.53 O ATOM 483 CB PHE A 425 4.146 -5.561 -10.447 1.00 1.53 C ATOM 484 CG PHE A 425 5.507 -5.002 -10.209 1.00 42.10 C ATOM 485 CD1 PHE A 425 5.774 -3.689 -10.551 1.00 14.41 C ATOM 486 CD2 PHE A 425 6.530 -5.777 -9.665 1.00 22.30 C ATOM 487 CE1 PHE A 425 7.022 -3.158 -10.377 1.00 21.24 C ATOM 488 CE2 PHE A 425 7.792 -5.246 -9.490 1.00 22.01 C ATOM 489 CZ PHE A 425 8.048 -3.934 -9.849 1.00 23.43 C ATOM 0 H PHE A 425 2.087 -4.696 -11.895 1.00 32.41 H new ATOM 0 HA PHE A 425 4.797 -5.637 -12.480 1.00 53.44 H new ATOM 0 HB2 PHE A 425 3.400 -4.862 -10.068 1.00 1.53 H new ATOM 0 HB3 PHE A 425 4.034 -6.485 -9.881 1.00 1.53 H new ATOM 0 HD1 PHE A 425 4.986 -3.075 -10.961 1.00 14.41 H new ATOM 0 HD2 PHE A 425 6.334 -6.800 -9.379 1.00 22.30 H new ATOM 0 HE1 PHE A 425 7.212 -2.131 -10.651 1.00 21.24 H new ATOM 0 HE2 PHE A 425 8.580 -5.855 -9.073 1.00 22.01 H new ATOM 0 HZ PHE A 425 9.036 -3.517 -9.720 1.00 23.43 H new ATOM 499 N MET A 426 2.461 -7.605 -13.000 1.00 24.22 N ATOM 500 CA MET A 426 1.873 -8.937 -13.088 1.00 33.12 C ATOM 501 C MET A 426 2.621 -9.930 -14.008 1.00 71.43 C ATOM 502 O MET A 426 2.675 -11.113 -13.662 1.00 20.04 O ATOM 503 CB MET A 426 0.399 -8.855 -13.488 1.00 13.13 C ATOM 504 CG MET A 426 -0.549 -9.243 -12.360 1.00 63.24 C ATOM 505 SD MET A 426 -0.271 -10.892 -11.687 1.00 72.33 S ATOM 506 CE MET A 426 -1.601 -10.936 -10.501 1.00 62.20 C ATOM 0 H MET A 426 1.974 -6.901 -13.555 1.00 24.22 H new ATOM 0 HA MET A 426 1.970 -9.347 -12.083 1.00 33.12 H new ATOM 0 HB2 MET A 426 0.173 -7.839 -13.812 1.00 13.13 H new ATOM 0 HB3 MET A 426 0.224 -9.508 -14.343 1.00 13.13 H new ATOM 0 HG2 MET A 426 -0.453 -8.514 -11.555 1.00 63.24 H new ATOM 0 HG3 MET A 426 -1.574 -9.181 -12.726 1.00 63.24 H new ATOM 0 HE1 MET A 426 -1.200 -11.164 -9.513 1.00 62.20 H new ATOM 0 HE2 MET A 426 -2.099 -9.967 -10.476 1.00 62.20 H new ATOM 0 HE3 MET A 426 -2.319 -11.705 -10.787 1.00 62.20 H new ATOM 516 N PRO A 427 3.195 -9.538 -15.203 1.00 32.52 N ATOM 517 CA PRO A 427 3.960 -10.506 -15.998 1.00 60.35 C ATOM 518 C PRO A 427 5.365 -10.847 -15.451 1.00 31.25 C ATOM 519 O PRO A 427 6.100 -11.592 -16.084 1.00 52.31 O ATOM 520 CB PRO A 427 4.042 -9.888 -17.387 1.00 2.34 C ATOM 521 CG PRO A 427 3.718 -8.440 -17.261 1.00 21.40 C ATOM 522 CD PRO A 427 3.058 -8.229 -15.922 1.00 2.02 C ATOM 0 HA PRO A 427 3.455 -11.472 -15.979 1.00 60.35 H new ATOM 0 HB2 PRO A 427 5.039 -10.021 -17.806 1.00 2.34 H new ATOM 0 HB3 PRO A 427 3.343 -10.378 -18.065 1.00 2.34 H new ATOM 0 HG2 PRO A 427 4.623 -7.838 -17.339 1.00 21.40 H new ATOM 0 HG3 PRO A 427 3.055 -8.126 -18.067 1.00 21.40 H new ATOM 0 HD2 PRO A 427 3.540 -7.424 -15.368 1.00 2.02 H new ATOM 0 HD3 PRO A 427 2.010 -7.952 -16.039 1.00 2.02 H new ATOM 530 N PHE A 428 5.720 -10.306 -14.279 1.00 45.11 N ATOM 531 CA PHE A 428 6.974 -10.704 -13.630 1.00 51.34 C ATOM 532 C PHE A 428 6.666 -11.657 -12.436 1.00 52.21 C ATOM 533 O PHE A 428 7.597 -12.033 -11.721 1.00 64.12 O ATOM 534 CB PHE A 428 7.885 -9.485 -13.185 1.00 22.14 C ATOM 535 CG PHE A 428 8.473 -8.582 -14.283 1.00 72.12 C ATOM 536 CD1 PHE A 428 9.120 -9.123 -15.385 1.00 64.34 C ATOM 537 CD2 PHE A 428 8.416 -7.176 -14.191 1.00 45.13 C ATOM 538 CE1 PHE A 428 9.680 -8.307 -16.360 1.00 53.43 C ATOM 539 CE2 PHE A 428 8.984 -6.368 -15.176 1.00 75.22 C ATOM 540 CZ PHE A 428 9.609 -6.938 -16.255 1.00 13.03 C ATOM 0 H PHE A 428 5.173 -9.610 -13.772 1.00 45.11 H new ATOM 0 HA PHE A 428 7.565 -11.234 -14.377 1.00 51.34 H new ATOM 0 HB2 PHE A 428 7.298 -8.857 -12.515 1.00 22.14 H new ATOM 0 HB3 PHE A 428 8.715 -9.884 -12.602 1.00 22.14 H new ATOM 0 HD1 PHE A 428 9.189 -10.196 -15.486 1.00 64.34 H new ATOM 0 HD2 PHE A 428 7.925 -6.718 -13.345 1.00 45.13 H new ATOM 0 HE1 PHE A 428 10.176 -8.753 -17.209 1.00 53.43 H new ATOM 0 HE2 PHE A 428 8.931 -5.293 -15.089 1.00 75.22 H new ATOM 0 HZ PHE A 428 10.045 -6.313 -17.021 1.00 13.03 H new ATOM 550 N GLY A 429 5.379 -12.120 -12.236 1.00 21.41 N ATOM 551 CA GLY A 429 5.110 -12.977 -11.068 1.00 74.31 C ATOM 552 C GLY A 429 3.680 -12.799 -10.383 1.00 20.11 C ATOM 553 O GLY A 429 2.917 -11.945 -10.817 1.00 74.32 O ATOM 0 H GLY A 429 4.578 -11.920 -12.835 1.00 21.41 H new ATOM 0 HA2 GLY A 429 5.217 -14.018 -11.374 1.00 74.31 H new ATOM 0 HA3 GLY A 429 5.877 -12.785 -10.317 1.00 74.31 H new ATOM 557 N ASN A 430 3.335 -13.617 -9.305 1.00 64.12 N ATOM 558 CA ASN A 430 1.986 -13.592 -8.581 1.00 50.23 C ATOM 559 C ASN A 430 1.768 -12.240 -7.722 1.00 20.21 C ATOM 560 O ASN A 430 2.753 -11.717 -7.201 1.00 51.31 O ATOM 561 CB ASN A 430 1.938 -14.888 -7.647 1.00 71.23 C ATOM 562 CG ASN A 430 0.603 -15.195 -6.944 1.00 42.12 C ATOM 563 OD1 ASN A 430 0.326 -14.668 -5.878 1.00 1.01 O ATOM 564 ND2 ASN A 430 -0.180 -16.156 -7.458 1.00 41.41 N ATOM 0 H ASN A 430 3.979 -14.306 -8.917 1.00 64.12 H new ATOM 0 HA ASN A 430 1.175 -13.602 -9.309 1.00 50.23 H new ATOM 0 HB2 ASN A 430 2.208 -15.753 -8.253 1.00 71.23 H new ATOM 0 HB3 ASN A 430 2.707 -14.783 -6.882 1.00 71.23 H new ATOM 0 HD21 ASN A 430 -1.017 -16.454 -6.957 1.00 41.41 H new ATOM 0 HD22 ASN A 430 0.062 -16.589 -8.349 1.00 41.41 H new ATOM 571 N VAL A 431 0.499 -11.630 -7.613 1.00 75.02 N ATOM 572 CA VAL A 431 0.195 -10.568 -6.540 1.00 33.32 C ATOM 573 C VAL A 431 -0.398 -11.291 -5.263 1.00 22.13 C ATOM 574 O VAL A 431 -1.171 -12.241 -5.431 1.00 73.34 O ATOM 575 CB VAL A 431 -0.847 -9.384 -6.894 1.00 34.12 C ATOM 576 CG1 VAL A 431 -0.550 -8.521 -8.120 1.00 11.02 C ATOM 577 CG2 VAL A 431 -2.295 -9.827 -6.967 1.00 3.54 C ATOM 0 H VAL A 431 -0.288 -11.846 -8.224 1.00 75.02 H new ATOM 0 HA VAL A 431 1.162 -10.081 -6.412 1.00 33.32 H new ATOM 0 HB VAL A 431 -0.687 -8.749 -6.023 1.00 34.12 H new ATOM 0 HG11 VAL A 431 -1.332 -7.770 -8.234 1.00 11.02 H new ATOM 0 HG12 VAL A 431 0.413 -8.026 -7.992 1.00 11.02 H new ATOM 0 HG13 VAL A 431 -0.519 -9.151 -9.009 1.00 11.02 H new ATOM 0 HG21 VAL A 431 -2.925 -8.971 -7.209 1.00 3.54 H new ATOM 0 HG22 VAL A 431 -2.404 -10.588 -7.739 1.00 3.54 H new ATOM 0 HG23 VAL A 431 -2.598 -10.240 -6.005 1.00 3.54 H new ATOM 587 N ILE A 432 -0.062 -10.908 -3.990 1.00 53.14 N ATOM 588 CA ILE A 432 -0.886 -11.497 -2.840 1.00 0.50 C ATOM 589 C ILE A 432 -1.710 -10.413 -2.072 1.00 74.10 C ATOM 590 O ILE A 432 -2.936 -10.539 -2.027 1.00 61.14 O ATOM 591 CB ILE A 432 -0.184 -12.553 -1.819 1.00 43.42 C ATOM 592 CG1 ILE A 432 1.064 -13.280 -2.429 1.00 3.21 C ATOM 593 CG2 ILE A 432 -1.199 -13.669 -1.411 1.00 42.21 C ATOM 594 CD1 ILE A 432 1.624 -14.493 -1.614 1.00 32.11 C ATOM 0 H ILE A 432 0.687 -10.266 -3.731 1.00 53.14 H new ATOM 0 HA ILE A 432 -1.557 -12.149 -3.399 1.00 0.50 H new ATOM 0 HB ILE A 432 0.138 -11.955 -0.966 1.00 43.42 H new ATOM 0 HG12 ILE A 432 0.802 -13.630 -3.428 1.00 3.21 H new ATOM 0 HG13 ILE A 432 1.863 -12.548 -2.547 1.00 3.21 H new ATOM 0 HG21 ILE A 432 -0.716 -14.368 -0.728 1.00 42.21 H new ATOM 0 HG22 ILE A 432 -2.059 -13.216 -0.918 1.00 42.21 H new ATOM 0 HG23 ILE A 432 -1.531 -14.202 -2.302 1.00 42.21 H new ATOM 0 HD11 ILE A 432 2.485 -14.914 -2.133 1.00 32.11 H new ATOM 0 HD12 ILE A 432 1.927 -14.156 -0.623 1.00 32.11 H new ATOM 0 HD13 ILE A 432 0.850 -15.255 -1.517 1.00 32.11 H new ATOM 606 N SER A 433 -1.086 -9.351 -1.481 1.00 70.11 N ATOM 607 CA SER A 433 -1.900 -8.290 -0.720 1.00 42.24 C ATOM 608 C SER A 433 -1.338 -6.814 -0.888 1.00 63.15 C ATOM 609 O SER A 433 -0.109 -6.666 -0.843 1.00 32.41 O ATOM 610 CB SER A 433 -1.977 -8.629 0.814 1.00 45.41 C ATOM 611 OG SER A 433 -2.667 -9.853 1.050 1.00 41.24 O ATOM 0 H SER A 433 -0.079 -9.189 -1.499 1.00 70.11 H new ATOM 0 HA SER A 433 -2.894 -8.319 -1.167 1.00 42.24 H new ATOM 0 HB2 SER A 433 -0.969 -8.695 1.223 1.00 45.41 H new ATOM 0 HB3 SER A 433 -2.482 -7.819 1.341 1.00 45.41 H new ATOM 0 HG SER A 433 -2.835 -9.954 2.010 1.00 41.24 H new ATOM 617 N ALA A 434 -2.199 -5.705 -1.095 1.00 43.31 N ATOM 618 CA ALA A 434 -1.640 -4.291 -1.026 1.00 11.34 C ATOM 619 C ALA A 434 -2.567 -3.202 -0.495 1.00 75.42 C ATOM 620 O ALA A 434 -3.793 -3.248 -0.627 1.00 25.34 O ATOM 621 CB ALA A 434 -1.114 -3.838 -2.382 1.00 54.52 C ATOM 0 H ALA A 434 -3.197 -5.770 -1.294 1.00 43.31 H new ATOM 0 HA ALA A 434 -0.847 -4.395 -0.286 1.00 11.34 H new ATOM 0 HB1 ALA A 434 -0.722 -2.824 -2.300 1.00 54.52 H new ATOM 0 HB2 ALA A 434 -0.319 -4.510 -2.707 1.00 54.52 H new ATOM 0 HB3 ALA A 434 -1.924 -3.855 -3.111 1.00 54.52 H new ATOM 627 N LYS A 435 -1.889 -2.202 0.124 1.00 33.21 N ATOM 628 CA LYS A 435 -2.486 -0.934 0.593 1.00 45.21 C ATOM 629 C LYS A 435 -1.424 0.190 0.590 1.00 1.34 C ATOM 630 O LYS A 435 -0.252 -0.091 0.881 1.00 24.03 O ATOM 631 CB LYS A 435 -3.050 -1.079 2.013 1.00 73.14 C ATOM 632 CG LYS A 435 -2.273 -2.010 2.951 1.00 34.23 C ATOM 633 CD LYS A 435 -2.853 -1.973 4.361 1.00 55.25 C ATOM 634 CE LYS A 435 -2.633 -0.628 5.061 1.00 74.10 C ATOM 635 NZ LYS A 435 -1.189 -0.276 5.145 1.00 50.24 N ATOM 0 H LYS A 435 -0.888 -2.261 0.313 1.00 33.21 H new ATOM 0 HA LYS A 435 -3.299 -0.681 -0.088 1.00 45.21 H new ATOM 0 HB2 LYS A 435 -3.093 -0.090 2.469 1.00 73.14 H new ATOM 0 HB3 LYS A 435 -4.075 -1.442 1.940 1.00 73.14 H new ATOM 0 HG2 LYS A 435 -2.306 -3.030 2.567 1.00 34.23 H new ATOM 0 HG3 LYS A 435 -1.224 -1.713 2.977 1.00 34.23 H new ATOM 0 HD2 LYS A 435 -3.922 -2.182 4.314 1.00 55.25 H new ATOM 0 HD3 LYS A 435 -2.399 -2.765 4.956 1.00 55.25 H new ATOM 0 HE2 LYS A 435 -3.167 0.154 4.521 1.00 74.10 H new ATOM 0 HE3 LYS A 435 -3.056 -0.668 6.065 1.00 74.10 H new ATOM 0 HZ1 LYS A 435 -0.971 0.071 6.101 1.00 50.24 H new ATOM 0 HZ2 LYS A 435 -0.614 -1.119 4.943 1.00 50.24 H new ATOM 0 HZ3 LYS A 435 -0.972 0.466 4.450 1.00 50.24 H new ATOM 649 N VAL A 436 -1.802 1.460 0.286 1.00 42.33 N ATOM 650 CA VAL A 436 -0.814 2.546 0.277 1.00 41.42 C ATOM 651 C VAL A 436 -1.034 3.369 1.531 1.00 60.54 C ATOM 652 O VAL A 436 -2.097 3.994 1.641 1.00 24.43 O ATOM 653 CB VAL A 436 -0.910 3.495 -1.002 1.00 53.32 C ATOM 654 CG1 VAL A 436 0.443 3.636 -1.679 1.00 44.54 C ATOM 655 CG2 VAL A 436 -1.956 3.065 -2.049 1.00 53.50 C ATOM 0 H VAL A 436 -2.754 1.741 0.052 1.00 42.33 H new ATOM 0 HA VAL A 436 0.178 2.096 0.241 1.00 41.42 H new ATOM 0 HB VAL A 436 -1.244 4.454 -0.605 1.00 53.32 H new ATOM 0 HG11 VAL A 436 0.349 4.288 -2.548 1.00 44.54 H new ATOM 0 HG12 VAL A 436 1.158 4.067 -0.978 1.00 44.54 H new ATOM 0 HG13 VAL A 436 0.794 2.655 -1.998 1.00 44.54 H new ATOM 0 HG21 VAL A 436 -1.949 3.769 -2.881 1.00 53.50 H new ATOM 0 HG22 VAL A 436 -1.715 2.067 -2.416 1.00 53.50 H new ATOM 0 HG23 VAL A 436 -2.945 3.054 -1.592 1.00 53.50 H new ATOM 665 N PHE A 437 -0.113 3.365 2.538 1.00 42.30 N ATOM 666 CA PHE A 437 -0.326 4.314 3.598 1.00 64.55 C ATOM 667 C PHE A 437 0.262 5.655 3.191 1.00 62.14 C ATOM 668 O PHE A 437 1.473 5.900 3.230 1.00 63.03 O ATOM 669 CB PHE A 437 0.126 3.849 5.014 1.00 64.11 C ATOM 670 CG PHE A 437 1.605 3.684 5.333 1.00 71.51 C ATOM 671 CD1 PHE A 437 2.356 2.615 4.851 1.00 71.50 C ATOM 672 CD2 PHE A 437 2.215 4.570 6.211 1.00 31.30 C ATOM 673 CE1 PHE A 437 3.672 2.446 5.230 1.00 73.13 C ATOM 674 CE2 PHE A 437 3.531 4.410 6.582 1.00 62.45 C ATOM 675 CZ PHE A 437 4.258 3.346 6.094 1.00 63.30 C ATOM 0 H PHE A 437 0.706 2.761 2.614 1.00 42.30 H new ATOM 0 HA PHE A 437 -1.404 4.413 3.723 1.00 64.55 H new ATOM 0 HB2 PHE A 437 -0.282 4.560 5.732 1.00 64.11 H new ATOM 0 HB3 PHE A 437 -0.355 2.890 5.207 1.00 64.11 H new ATOM 0 HD1 PHE A 437 1.902 1.909 4.171 1.00 71.50 H new ATOM 0 HD2 PHE A 437 1.648 5.398 6.609 1.00 31.30 H new ATOM 0 HE1 PHE A 437 4.242 1.610 4.851 1.00 73.13 H new ATOM 0 HE2 PHE A 437 3.993 5.117 7.255 1.00 62.45 H new ATOM 0 HZ PHE A 437 5.289 3.217 6.389 1.00 63.30 H new ATOM 846 N PHE A 448 4.124 5.705 1.269 1.00 14.42 N ATOM 847 CA PHE A 448 4.952 4.565 1.676 1.00 14.11 C ATOM 848 C PHE A 448 4.153 3.231 1.517 1.00 44.54 C ATOM 849 O PHE A 448 2.960 3.186 1.833 1.00 42.13 O ATOM 850 CB PHE A 448 5.460 4.840 3.122 1.00 22.32 C ATOM 851 CG PHE A 448 6.971 4.885 3.219 1.00 45.24 C ATOM 852 CD1 PHE A 448 7.724 3.711 3.270 1.00 70.51 C ATOM 853 CD2 PHE A 448 7.648 6.102 3.227 1.00 60.25 C ATOM 854 CE1 PHE A 448 9.109 3.761 3.323 1.00 13.24 C ATOM 855 CE2 PHE A 448 9.030 6.150 3.287 1.00 74.31 C ATOM 856 CZ PHE A 448 9.760 4.977 3.329 1.00 13.15 C ATOM 0 HA PHE A 448 5.826 4.448 1.035 1.00 14.11 H new ATOM 0 HB2 PHE A 448 5.050 5.788 3.471 1.00 22.32 H new ATOM 0 HB3 PHE A 448 5.081 4.065 3.788 1.00 22.32 H new ATOM 0 HD1 PHE A 448 7.223 2.754 3.268 1.00 70.51 H new ATOM 0 HD2 PHE A 448 7.086 7.023 3.186 1.00 60.25 H new ATOM 0 HE1 PHE A 448 9.680 2.845 3.360 1.00 13.24 H new ATOM 0 HE2 PHE A 448 9.538 7.103 3.301 1.00 74.31 H new ATOM 0 HZ PHE A 448 10.839 5.013 3.366 1.00 13.15 H new ATOM 866 N GLY A 449 4.816 2.162 0.985 1.00 44.23 N ATOM 867 CA GLY A 449 4.112 0.893 0.573 1.00 10.05 C ATOM 868 C GLY A 449 4.804 -0.436 0.992 1.00 61.31 C ATOM 869 O GLY A 449 5.905 -0.408 1.546 1.00 0.32 O ATOM 0 H GLY A 449 5.824 2.146 0.830 1.00 44.23 H new ATOM 0 HA2 GLY A 449 3.107 0.905 0.994 1.00 10.05 H new ATOM 0 HA3 GLY A 449 4.003 0.897 -0.512 1.00 10.05 H new ATOM 873 N PHE A 450 4.131 -1.602 0.723 1.00 41.31 N ATOM 874 CA PHE A 450 4.751 -2.992 0.854 1.00 63.55 C ATOM 875 C PHE A 450 4.060 -3.990 -0.139 1.00 71.22 C ATOM 876 O PHE A 450 2.922 -3.704 -0.529 1.00 52.24 O ATOM 877 CB PHE A 450 4.727 -3.544 2.326 1.00 63.52 C ATOM 878 CG PHE A 450 3.360 -3.723 2.995 1.00 23.51 C ATOM 879 CD1 PHE A 450 2.447 -4.705 2.578 1.00 11.40 C ATOM 880 CD2 PHE A 450 2.994 -2.900 4.057 1.00 74.41 C ATOM 881 CE1 PHE A 450 1.220 -4.829 3.188 1.00 1.00 C ATOM 882 CE2 PHE A 450 1.768 -3.036 4.665 1.00 0.40 C ATOM 883 CZ PHE A 450 0.882 -3.992 4.224 1.00 74.34 C ATOM 0 H PHE A 450 3.159 -1.620 0.414 1.00 41.31 H new ATOM 0 HA PHE A 450 5.804 -2.897 0.588 1.00 63.55 H new ATOM 0 HB2 PHE A 450 5.232 -4.510 2.331 1.00 63.52 H new ATOM 0 HB3 PHE A 450 5.319 -2.871 2.947 1.00 63.52 H new ATOM 0 HD1 PHE A 450 2.711 -5.370 1.769 1.00 11.40 H new ATOM 0 HD2 PHE A 450 3.682 -2.145 4.408 1.00 74.41 H new ATOM 0 HE1 PHE A 450 0.523 -5.583 2.853 1.00 1.00 H new ATOM 0 HE2 PHE A 450 1.500 -2.392 5.489 1.00 0.40 H new ATOM 0 HZ PHE A 450 -0.085 -4.085 4.695 1.00 74.34 H new ATOM 893 N VAL A 451 4.704 -5.146 -0.570 1.00 20.41 N ATOM 894 CA VAL A 451 3.932 -6.170 -1.400 1.00 21.21 C ATOM 895 C VAL A 451 4.547 -7.620 -1.372 1.00 33.32 C ATOM 896 O VAL A 451 5.765 -7.774 -1.226 1.00 15.13 O ATOM 897 CB VAL A 451 3.560 -5.581 -2.875 1.00 12.42 C ATOM 898 CG1 VAL A 451 4.717 -4.899 -3.630 1.00 24.15 C ATOM 899 CG2 VAL A 451 2.884 -6.564 -3.868 1.00 44.31 C ATOM 0 H VAL A 451 5.677 -5.382 -0.377 1.00 20.41 H new ATOM 0 HA VAL A 451 2.973 -6.329 -0.907 1.00 21.21 H new ATOM 0 HB VAL A 451 2.826 -4.835 -2.570 1.00 12.42 H new ATOM 0 HG11 VAL A 451 4.361 -4.544 -4.597 1.00 24.15 H new ATOM 0 HG12 VAL A 451 5.084 -4.055 -3.047 1.00 24.15 H new ATOM 0 HG13 VAL A 451 5.525 -5.615 -3.781 1.00 24.15 H new ATOM 0 HG21 VAL A 451 2.688 -6.052 -4.810 1.00 44.31 H new ATOM 0 HG22 VAL A 451 3.545 -7.412 -4.046 1.00 44.31 H new ATOM 0 HG23 VAL A 451 1.944 -6.919 -3.446 1.00 44.31 H new ATOM 909 N SER A 452 3.673 -8.697 -1.455 1.00 63.22 N ATOM 910 CA SER A 452 4.069 -10.093 -1.208 1.00 63.51 C ATOM 911 C SER A 452 4.302 -10.854 -2.533 1.00 44.15 C ATOM 912 O SER A 452 3.369 -10.922 -3.344 1.00 64.14 O ATOM 913 CB SER A 452 2.902 -10.764 -0.420 1.00 2.54 C ATOM 914 OG SER A 452 3.002 -10.536 0.978 1.00 31.02 O ATOM 0 H SER A 452 2.687 -8.592 -1.695 1.00 63.22 H new ATOM 0 HA SER A 452 5.003 -10.121 -0.647 1.00 63.51 H new ATOM 0 HB2 SER A 452 1.950 -10.377 -0.783 1.00 2.54 H new ATOM 0 HB3 SER A 452 2.904 -11.837 -0.613 1.00 2.54 H new ATOM 0 HG SER A 452 2.478 -9.744 1.219 1.00 31.02 H new ATOM 920 N TYR A 453 5.532 -11.425 -2.768 1.00 72.11 N ATOM 921 CA TYR A 453 5.826 -12.079 -4.085 1.00 22.25 C ATOM 922 C TYR A 453 6.357 -13.549 -3.816 1.00 64.14 C ATOM 923 O TYR A 453 7.278 -13.641 -3.017 1.00 40.32 O ATOM 924 CB TYR A 453 6.867 -11.073 -4.713 1.00 42.01 C ATOM 925 CG TYR A 453 6.934 -10.805 -6.242 1.00 40.22 C ATOM 926 CD1 TYR A 453 5.903 -10.144 -6.949 1.00 2.43 C ATOM 927 CD2 TYR A 453 8.124 -10.974 -6.929 1.00 72.42 C ATOM 928 CE1 TYR A 453 6.099 -9.697 -8.258 1.00 51.51 C ATOM 929 CE2 TYR A 453 8.278 -10.562 -8.237 1.00 61.35 C ATOM 930 CZ TYR A 453 7.285 -9.905 -8.866 1.00 33.32 C ATOM 931 OH TYR A 453 7.510 -9.393 -10.101 1.00 21.33 O ATOM 0 H TYR A 453 6.299 -11.445 -2.096 1.00 72.11 H new ATOM 0 HA TYR A 453 4.989 -12.233 -4.766 1.00 22.25 H new ATOM 0 HB2 TYR A 453 6.702 -10.109 -4.232 1.00 42.01 H new ATOM 0 HB3 TYR A 453 7.857 -11.415 -4.410 1.00 42.01 H new ATOM 0 HD1 TYR A 453 4.949 -9.982 -6.469 1.00 2.43 H new ATOM 0 HD2 TYR A 453 8.957 -11.442 -6.426 1.00 72.42 H new ATOM 0 HE1 TYR A 453 5.304 -9.187 -8.781 1.00 51.51 H new ATOM 0 HE2 TYR A 453 9.201 -10.768 -8.759 1.00 61.35 H new ATOM 0 HH TYR A 453 8.413 -9.634 -10.395 1.00 21.33 H new ATOM 941 N ASP A 454 5.770 -14.691 -4.462 1.00 5.21 N ATOM 942 CA ASP A 454 6.132 -16.148 -4.163 1.00 70.22 C ATOM 943 C ASP A 454 7.475 -16.449 -3.444 1.00 44.31 C ATOM 944 O ASP A 454 7.499 -16.680 -2.239 1.00 62.22 O ATOM 945 CB ASP A 454 6.118 -16.999 -5.440 1.00 13.40 C ATOM 946 CG ASP A 454 4.783 -16.988 -6.158 1.00 61.40 C ATOM 947 OD1 ASP A 454 3.785 -17.432 -5.572 1.00 22.25 O ATOM 948 OD2 ASP A 454 4.747 -16.536 -7.313 1.00 14.34 O ATOM 0 H ASP A 454 5.053 -14.601 -5.182 1.00 5.21 H new ATOM 0 HA ASP A 454 5.349 -16.405 -3.450 1.00 70.22 H new ATOM 0 HB2 ASP A 454 6.890 -16.635 -6.118 1.00 13.40 H new ATOM 0 HB3 ASP A 454 6.376 -18.027 -5.185 1.00 13.40 H new ATOM 953 N ASN A 455 8.581 -16.437 -4.195 1.00 2.11 N ATOM 954 CA ASN A 455 9.861 -16.955 -3.703 1.00 55.02 C ATOM 955 C ASN A 455 11.033 -16.260 -4.369 1.00 61.14 C ATOM 956 O ASN A 455 10.916 -15.936 -5.547 1.00 52.51 O ATOM 957 CB ASN A 455 9.916 -18.473 -3.916 1.00 61.13 C ATOM 958 CG ASN A 455 10.754 -19.165 -2.848 1.00 35.01 C ATOM 959 OD1 ASN A 455 11.943 -19.435 -3.042 1.00 75.32 O ATOM 960 ND2 ASN A 455 10.138 -19.416 -1.687 1.00 12.24 N ATOM 0 H ASN A 455 8.615 -16.074 -5.147 1.00 2.11 H new ATOM 0 HA ASN A 455 9.936 -16.747 -2.636 1.00 55.02 H new ATOM 0 HB2 ASN A 455 8.904 -18.879 -3.903 1.00 61.13 H new ATOM 0 HB3 ASN A 455 10.333 -18.687 -4.900 1.00 61.13 H new ATOM 0 HD21 ASN A 455 10.653 -19.847 -0.919 1.00 12.24 H new ATOM 0 HD22 ASN A 455 9.153 -19.176 -1.570 1.00 12.24 H new ATOM 967 N PRO A 456 12.122 -15.940 -3.579 1.00 71.31 N ATOM 968 CA PRO A 456 13.351 -15.235 -4.005 1.00 0.14 C ATOM 969 C PRO A 456 13.924 -15.314 -5.482 1.00 0.52 C ATOM 970 O PRO A 456 14.761 -14.458 -5.810 1.00 61.32 O ATOM 971 CB PRO A 456 14.407 -15.727 -2.998 1.00 55.54 C ATOM 972 CG PRO A 456 13.666 -16.194 -1.795 1.00 33.14 C ATOM 973 CD PRO A 456 12.191 -16.067 -2.085 1.00 21.02 C ATOM 0 HA PRO A 456 13.081 -14.179 -4.018 1.00 0.14 H new ATOM 0 HB2 PRO A 456 15.001 -16.535 -3.424 1.00 55.54 H new ATOM 0 HB3 PRO A 456 15.098 -14.925 -2.739 1.00 55.54 H new ATOM 0 HG2 PRO A 456 13.923 -17.228 -1.566 1.00 33.14 H new ATOM 0 HG3 PRO A 456 13.937 -15.598 -0.924 1.00 33.14 H new ATOM 0 HD2 PRO A 456 11.639 -16.938 -1.733 1.00 21.02 H new ATOM 0 HD3 PRO A 456 11.761 -15.196 -1.590 1.00 21.02 H new ATOM 981 N VAL A 457 13.519 -16.269 -6.390 1.00 0.32 N ATOM 982 CA VAL A 457 13.989 -16.200 -7.812 1.00 30.31 C ATOM 983 C VAL A 457 13.312 -15.012 -8.550 1.00 74.43 C ATOM 984 O VAL A 457 13.831 -14.540 -9.562 1.00 62.22 O ATOM 985 CB VAL A 457 13.880 -17.540 -8.676 1.00 5.41 C ATOM 986 CG1 VAL A 457 14.724 -18.664 -8.093 1.00 70.13 C ATOM 987 CG2 VAL A 457 12.451 -18.030 -8.912 1.00 71.31 C ATOM 0 H VAL A 457 12.902 -17.052 -6.174 1.00 0.32 H new ATOM 0 HA VAL A 457 15.064 -16.042 -7.724 1.00 30.31 H new ATOM 0 HB VAL A 457 14.276 -17.260 -9.652 1.00 5.41 H new ATOM 0 HG11 VAL A 457 14.620 -19.555 -8.712 1.00 70.13 H new ATOM 0 HG12 VAL A 457 15.770 -18.359 -8.069 1.00 70.13 H new ATOM 0 HG13 VAL A 457 14.387 -18.884 -7.080 1.00 70.13 H new ATOM 0 HG21 VAL A 457 12.473 -18.943 -9.506 1.00 71.31 H new ATOM 0 HG22 VAL A 457 11.973 -18.232 -7.954 1.00 71.31 H new ATOM 0 HG23 VAL A 457 11.887 -17.264 -9.444 1.00 71.31 H new ATOM 997 N SER A 458 12.158 -14.539 -8.038 1.00 23.40 N ATOM 998 CA SER A 458 11.515 -13.333 -8.539 1.00 71.32 C ATOM 999 C SER A 458 11.988 -11.997 -7.816 1.00 33.11 C ATOM 1000 O SER A 458 11.698 -10.931 -8.381 1.00 33.43 O ATOM 1001 CB SER A 458 9.955 -13.528 -8.592 1.00 41.14 C ATOM 1002 OG SER A 458 9.453 -13.941 -7.330 1.00 71.15 O ATOM 0 H SER A 458 11.657 -14.987 -7.271 1.00 23.40 H new ATOM 0 HA SER A 458 11.854 -13.182 -9.564 1.00 71.32 H new ATOM 0 HB2 SER A 458 9.478 -12.594 -8.890 1.00 41.14 H new ATOM 0 HB3 SER A 458 9.703 -14.271 -9.349 1.00 41.14 H new ATOM 0 HG SER A 458 8.840 -13.260 -6.983 1.00 71.15 H new ATOM 1008 N ALA A 459 12.725 -11.988 -6.600 1.00 30.52 N ATOM 1009 CA ALA A 459 13.117 -10.681 -5.990 1.00 3.32 C ATOM 1010 C ALA A 459 14.183 -9.956 -6.810 1.00 52.44 C ATOM 1011 O ALA A 459 13.896 -8.946 -7.443 1.00 25.51 O ATOM 1012 CB ALA A 459 13.612 -10.791 -4.558 1.00 13.42 C ATOM 0 H ALA A 459 13.022 -12.818 -6.087 1.00 30.52 H new ATOM 0 HA ALA A 459 12.191 -10.106 -5.987 1.00 3.32 H new ATOM 0 HB1 ALA A 459 13.876 -9.801 -4.187 1.00 13.42 H new ATOM 0 HB2 ALA A 459 12.826 -11.214 -3.933 1.00 13.42 H new ATOM 0 HB3 ALA A 459 14.489 -11.437 -4.525 1.00 13.42 H new ATOM 1018 N GLN A 460 15.384 -10.537 -6.881 1.00 32.52 N ATOM 1019 CA GLN A 460 16.529 -9.921 -7.526 1.00 54.24 C ATOM 1020 C GLN A 460 16.349 -9.752 -9.064 1.00 14.43 C ATOM 1021 O GLN A 460 16.965 -8.846 -9.627 1.00 52.12 O ATOM 1022 CB GLN A 460 17.817 -10.679 -7.132 1.00 4.42 C ATOM 1023 CG GLN A 460 18.205 -10.529 -5.644 1.00 4.14 C ATOM 1024 CD GLN A 460 18.886 -11.766 -5.080 1.00 44.22 C ATOM 1025 OE1 GLN A 460 20.103 -11.899 -5.147 1.00 41.35 O ATOM 1026 NE2 GLN A 460 18.103 -12.670 -4.502 1.00 22.43 N ATOM 0 H GLN A 460 15.582 -11.456 -6.486 1.00 32.52 H new ATOM 0 HA GLN A 460 16.619 -8.898 -7.161 1.00 54.24 H new ATOM 0 HB2 GLN A 460 17.687 -11.737 -7.358 1.00 4.42 H new ATOM 0 HB3 GLN A 460 18.641 -10.320 -7.749 1.00 4.42 H new ATOM 0 HG2 GLN A 460 18.870 -9.672 -5.532 1.00 4.14 H new ATOM 0 HG3 GLN A 460 17.309 -10.316 -5.060 1.00 4.14 H new ATOM 0 HE21 GLN A 460 17.094 -12.523 -4.466 1.00 22.43 H new ATOM 0 HE22 GLN A 460 18.510 -13.511 -4.094 1.00 22.43 H new ATOM 1035 N ALA A 461 15.505 -10.583 -9.756 1.00 21.42 N ATOM 1036 CA ALA A 461 15.170 -10.301 -11.161 1.00 11.45 C ATOM 1037 C ALA A 461 14.265 -8.977 -11.450 1.00 0.02 C ATOM 1038 O ALA A 461 14.560 -8.307 -12.433 1.00 53.05 O ATOM 1039 CB ALA A 461 14.728 -11.623 -11.899 1.00 52.11 C ATOM 0 H ALA A 461 15.067 -11.418 -9.367 1.00 21.42 H new ATOM 0 HA ALA A 461 16.096 -9.970 -11.632 1.00 11.45 H new ATOM 0 HB1 ALA A 461 14.484 -11.396 -12.937 1.00 52.11 H new ATOM 0 HB2 ALA A 461 15.542 -12.347 -11.868 1.00 52.11 H new ATOM 0 HB3 ALA A 461 13.852 -12.041 -11.403 1.00 52.11 H new ATOM 1045 N ALA A 462 13.205 -8.551 -10.627 1.00 73.54 N ATOM 1046 CA ALA A 462 12.475 -7.213 -10.866 1.00 35.40 C ATOM 1047 C ALA A 462 13.117 -5.986 -10.172 1.00 32.34 C ATOM 1048 O ALA A 462 13.023 -4.885 -10.720 1.00 25.14 O ATOM 1049 CB ALA A 462 10.971 -7.280 -10.498 1.00 25.52 C ATOM 0 H ALA A 462 12.853 -9.085 -9.833 1.00 73.54 H new ATOM 0 HA ALA A 462 12.581 -7.062 -11.940 1.00 35.40 H new ATOM 0 HB1 ALA A 462 10.507 -6.312 -10.686 1.00 25.52 H new ATOM 0 HB2 ALA A 462 10.481 -8.041 -11.106 1.00 25.52 H new ATOM 0 HB3 ALA A 462 10.865 -7.534 -9.443 1.00 25.52 H new ATOM 1055 N ILE A 463 13.734 -6.163 -8.980 1.00 32.25 N ATOM 1056 CA ILE A 463 14.255 -5.042 -8.155 1.00 23.33 C ATOM 1057 C ILE A 463 15.261 -4.075 -8.929 1.00 32.02 C ATOM 1058 O ILE A 463 15.317 -2.887 -8.603 1.00 72.41 O ATOM 1059 CB ILE A 463 14.801 -5.536 -6.696 1.00 75.04 C ATOM 1060 CG1 ILE A 463 13.731 -6.362 -5.880 1.00 75.34 C ATOM 1061 CG2 ILE A 463 15.374 -4.431 -5.746 1.00 63.35 C ATOM 1062 CD1 ILE A 463 12.247 -6.010 -6.047 1.00 70.40 C ATOM 0 H ILE A 463 13.885 -7.081 -8.563 1.00 32.25 H new ATOM 0 HA ILE A 463 13.392 -4.409 -7.948 1.00 23.33 H new ATOM 0 HB ILE A 463 15.639 -6.165 -6.995 1.00 75.04 H new ATOM 0 HG12 ILE A 463 13.853 -7.413 -6.143 1.00 75.34 H new ATOM 0 HG13 ILE A 463 13.976 -6.267 -4.822 1.00 75.34 H new ATOM 0 HG21 ILE A 463 15.702 -4.888 -4.812 1.00 63.35 H new ATOM 0 HG22 ILE A 463 16.220 -3.941 -6.227 1.00 63.35 H new ATOM 0 HG23 ILE A 463 14.599 -3.694 -5.536 1.00 63.35 H new ATOM 0 HD11 ILE A 463 11.644 -6.668 -5.421 1.00 70.40 H new ATOM 0 HD12 ILE A 463 12.083 -4.974 -5.749 1.00 70.40 H new ATOM 0 HD13 ILE A 463 11.958 -6.138 -7.090 1.00 70.40 H new ATOM 1074 N GLN A 464 16.019 -4.546 -9.984 1.00 61.24 N ATOM 1075 CA GLN A 464 16.879 -3.639 -10.792 1.00 32.35 C ATOM 1076 C GLN A 464 16.250 -3.041 -12.135 1.00 40.15 C ATOM 1077 O GLN A 464 16.674 -1.951 -12.509 1.00 52.53 O ATOM 1078 CB GLN A 464 18.301 -4.276 -10.989 1.00 42.44 C ATOM 1079 CG GLN A 464 19.139 -4.392 -9.699 1.00 42.12 C ATOM 1080 CD GLN A 464 20.268 -5.404 -9.844 1.00 25.12 C ATOM 1081 OE1 GLN A 464 20.841 -5.581 -10.917 1.00 21.51 O ATOM 1082 NE2 GLN A 464 20.581 -6.094 -8.756 1.00 32.20 N ATOM 0 H GLN A 464 16.043 -5.523 -10.277 1.00 61.24 H new ATOM 0 HA GLN A 464 16.972 -2.732 -10.194 1.00 32.35 H new ATOM 0 HB2 GLN A 464 18.182 -5.270 -11.420 1.00 42.44 H new ATOM 0 HB3 GLN A 464 18.855 -3.679 -11.713 1.00 42.44 H new ATOM 0 HG2 GLN A 464 19.556 -3.417 -9.448 1.00 42.12 H new ATOM 0 HG3 GLN A 464 18.493 -4.685 -8.872 1.00 42.12 H new ATOM 0 HE21 GLN A 464 20.085 -5.921 -7.882 1.00 32.20 H new ATOM 0 HE22 GLN A 464 21.318 -6.798 -8.793 1.00 32.20 H new ATOM 1091 N ALA A 465 15.266 -3.698 -12.877 1.00 60.43 N ATOM 1092 CA ALA A 465 14.608 -3.046 -14.083 1.00 41.52 C ATOM 1093 C ALA A 465 13.778 -1.760 -13.740 1.00 43.22 C ATOM 1094 O ALA A 465 13.340 -1.047 -14.640 1.00 52.44 O ATOM 1095 CB ALA A 465 13.753 -4.034 -14.957 1.00 31.53 C ATOM 0 H ALA A 465 14.927 -4.637 -12.668 1.00 60.43 H new ATOM 0 HA ALA A 465 15.458 -2.731 -14.688 1.00 41.52 H new ATOM 0 HB1 ALA A 465 13.317 -3.493 -15.797 1.00 31.53 H new ATOM 0 HB2 ALA A 465 14.392 -4.833 -15.333 1.00 31.53 H new ATOM 0 HB3 ALA A 465 12.956 -4.462 -14.348 1.00 31.53 H new ATOM 1101 N MET A 466 13.581 -1.460 -12.446 1.00 0.21 N ATOM 1102 CA MET A 466 12.729 -0.343 -12.001 1.00 63.54 C ATOM 1103 C MET A 466 13.473 0.647 -11.086 1.00 42.35 C ATOM 1104 O MET A 466 12.838 1.477 -10.430 1.00 55.23 O ATOM 1105 CB MET A 466 11.516 -0.921 -11.269 1.00 10.43 C ATOM 1106 CG MET A 466 10.146 -0.469 -11.792 1.00 24.20 C ATOM 1107 SD MET A 466 9.768 -1.207 -13.400 1.00 30.31 S ATOM 1108 CE MET A 466 8.098 -0.631 -13.695 1.00 53.33 C ATOM 0 H MET A 466 14.006 -1.983 -11.680 1.00 0.21 H new ATOM 0 HA MET A 466 12.422 0.220 -12.882 1.00 63.54 H new ATOM 0 HB2 MET A 466 11.565 -2.008 -11.325 1.00 10.43 H new ATOM 0 HB3 MET A 466 11.589 -0.653 -10.215 1.00 10.43 H new ATOM 0 HG2 MET A 466 9.373 -0.745 -11.074 1.00 24.20 H new ATOM 0 HG3 MET A 466 10.129 0.618 -11.877 1.00 24.20 H new ATOM 0 HE1 MET A 466 7.745 -1.014 -14.653 1.00 53.33 H new ATOM 0 HE2 MET A 466 7.444 -0.987 -12.899 1.00 53.33 H new ATOM 0 HE3 MET A 466 8.087 0.459 -13.713 1.00 53.33 H new ATOM 1118 N ASN A 467 14.816 0.580 -11.044 1.00 23.12 N ATOM 1119 CA ASN A 467 15.618 1.376 -10.073 1.00 4.31 C ATOM 1120 C ASN A 467 15.854 2.821 -10.601 1.00 11.51 C ATOM 1121 O ASN A 467 16.585 2.940 -11.584 1.00 54.45 O ATOM 1122 CB ASN A 467 16.987 0.684 -9.802 1.00 42.24 C ATOM 1123 CG ASN A 467 17.712 1.217 -8.542 1.00 30.52 C ATOM 1124 OD1 ASN A 467 16.987 1.615 -7.474 1.00 31.14 O flip ATOM 1125 ND2 ASN A 467 18.938 1.260 -8.519 1.00 73.44 N flip ATOM 0 H ASN A 467 15.373 -0.010 -11.662 1.00 23.12 H new ATOM 0 HA ASN A 467 15.056 1.433 -9.141 1.00 4.31 H new ATOM 0 HB2 ASN A 467 16.827 -0.389 -9.693 1.00 42.24 H new ATOM 0 HB3 ASN A 467 17.633 0.823 -10.669 1.00 42.24 H new ATOM 0 HD21 ASN A 467 19.474 0.957 -9.332 1.00 73.44 H new ATOM 0 HD22 ASN A 467 19.421 1.599 -7.687 1.00 73.44 H new ATOM 1132 N GLY A 468 15.279 3.940 -9.996 1.00 2.34 N ATOM 1133 CA GLY A 468 15.618 5.254 -10.557 1.00 23.23 C ATOM 1134 C GLY A 468 14.832 5.651 -11.820 1.00 4.14 C ATOM 1135 O GLY A 468 15.292 6.496 -12.584 1.00 40.52 O ATOM 0 H GLY A 468 14.643 3.935 -9.198 1.00 2.34 H new ATOM 0 HA2 GLY A 468 15.451 6.012 -9.792 1.00 23.23 H new ATOM 0 HA3 GLY A 468 16.682 5.267 -10.792 1.00 23.23 H new ATOM 1139 N PHE A 469 13.658 5.067 -12.040 1.00 15.42 N ATOM 1140 CA PHE A 469 13.111 4.969 -13.396 1.00 71.44 C ATOM 1141 C PHE A 469 12.045 6.072 -13.539 1.00 35.33 C ATOM 1142 O PHE A 469 10.990 5.977 -12.897 1.00 51.43 O ATOM 1143 CB PHE A 469 12.583 3.487 -13.624 1.00 61.41 C ATOM 1144 CG PHE A 469 11.937 3.159 -14.951 1.00 3.35 C ATOM 1145 CD1 PHE A 469 12.697 2.878 -16.090 1.00 54.15 C ATOM 1146 CD2 PHE A 469 10.556 3.076 -15.052 1.00 42.44 C ATOM 1147 CE1 PHE A 469 12.080 2.538 -17.278 1.00 44.54 C ATOM 1148 CE2 PHE A 469 9.948 2.736 -16.233 1.00 53.53 C ATOM 1149 CZ PHE A 469 10.704 2.465 -17.350 1.00 5.02 C ATOM 0 H PHE A 469 13.072 4.659 -11.312 1.00 15.42 H new ATOM 0 HA PHE A 469 13.850 5.139 -14.179 1.00 71.44 H new ATOM 0 HB2 PHE A 469 13.424 2.808 -13.486 1.00 61.41 H new ATOM 0 HB3 PHE A 469 11.862 3.265 -12.838 1.00 61.41 H new ATOM 0 HD1 PHE A 469 13.775 2.927 -16.041 1.00 54.15 H new ATOM 0 HD2 PHE A 469 9.948 3.283 -14.184 1.00 42.44 H new ATOM 0 HE1 PHE A 469 12.677 2.329 -18.154 1.00 44.54 H new ATOM 0 HE2 PHE A 469 8.871 2.681 -16.287 1.00 53.53 H new ATOM 0 HZ PHE A 469 10.223 2.196 -18.279 1.00 5.02 H new ATOM 1159 N GLN A 470 12.319 7.149 -14.339 1.00 10.22 N ATOM 1160 CA GLN A 470 11.412 8.291 -14.381 1.00 55.22 C ATOM 1161 C GLN A 470 10.119 8.005 -15.154 1.00 65.24 C ATOM 1162 O GLN A 470 10.151 7.525 -16.285 1.00 43.23 O ATOM 1163 CB GLN A 470 12.140 9.512 -14.966 1.00 23.53 C ATOM 1164 CG GLN A 470 12.916 10.335 -13.925 1.00 32.31 C ATOM 1165 CD GLN A 470 12.052 11.377 -13.199 1.00 30.24 C ATOM 1166 OE1 GLN A 470 10.731 11.188 -13.187 1.00 0.13 O flip ATOM 1167 NE2 GLN A 470 12.568 12.373 -12.704 1.00 12.43 N flip ATOM 0 H GLN A 470 13.140 7.230 -14.938 1.00 10.22 H new ATOM 0 HA GLN A 470 11.110 8.501 -13.355 1.00 55.22 H new ATOM 0 HB2 GLN A 470 12.833 9.174 -15.737 1.00 23.53 H new ATOM 0 HB3 GLN A 470 11.410 10.158 -15.454 1.00 23.53 H new ATOM 0 HG2 GLN A 470 13.350 9.658 -13.189 1.00 32.31 H new ATOM 0 HG3 GLN A 470 13.745 10.842 -14.419 1.00 32.31 H new ATOM 0 HE21 GLN A 470 13.581 12.488 -12.729 1.00 12.43 H new ATOM 0 HE22 GLN A 470 11.984 13.086 -12.267 1.00 12.43 H new ATOM 1176 N ILE A 471 8.983 8.312 -14.511 1.00 62.45 N ATOM 1177 CA ILE A 471 7.675 8.130 -15.113 1.00 13.33 C ATOM 1178 C ILE A 471 6.856 9.427 -14.776 1.00 4.34 C ATOM 1179 O ILE A 471 6.329 9.531 -13.663 1.00 55.22 O ATOM 1180 CB ILE A 471 6.933 6.794 -14.576 1.00 70.21 C ATOM 1181 CG1 ILE A 471 7.619 5.460 -15.064 1.00 71.43 C ATOM 1182 CG2 ILE A 471 5.459 6.771 -14.970 1.00 34.22 C ATOM 1183 CD1 ILE A 471 6.872 4.146 -14.729 1.00 52.20 C ATOM 0 H ILE A 471 8.956 8.691 -13.564 1.00 62.45 H new ATOM 0 HA ILE A 471 7.763 7.988 -16.190 1.00 13.33 H new ATOM 0 HB ILE A 471 7.021 6.837 -13.490 1.00 70.21 H new ATOM 0 HG12 ILE A 471 7.746 5.516 -16.145 1.00 71.43 H new ATOM 0 HG13 ILE A 471 8.617 5.408 -14.628 1.00 71.43 H new ATOM 0 HG21 ILE A 471 4.996 5.860 -14.592 1.00 34.22 H new ATOM 0 HG22 ILE A 471 4.955 7.638 -14.544 1.00 34.22 H new ATOM 0 HG23 ILE A 471 5.372 6.799 -16.056 1.00 34.22 H new ATOM 0 HD11 ILE A 471 7.438 3.298 -15.114 1.00 52.20 H new ATOM 0 HD12 ILE A 471 6.767 4.052 -13.648 1.00 52.20 H new ATOM 0 HD13 ILE A 471 5.884 4.162 -15.189 1.00 52.20 H new ATOM 1195 N GLY A 472 6.840 10.481 -15.666 1.00 55.31 N ATOM 1196 CA GLY A 472 6.025 11.665 -15.379 1.00 62.30 C ATOM 1197 C GLY A 472 6.762 12.640 -14.494 1.00 62.13 C ATOM 1198 O GLY A 472 7.860 13.086 -14.832 1.00 34.25 O ATOM 0 H GLY A 472 7.364 10.514 -16.541 1.00 55.31 H new ATOM 0 HA2 GLY A 472 5.751 12.155 -16.313 1.00 62.30 H new ATOM 0 HA3 GLY A 472 5.097 11.361 -14.894 1.00 62.30 H new ATOM 1202 N MET A 473 6.184 12.926 -13.333 1.00 51.34 N ATOM 1203 CA MET A 473 6.752 13.948 -12.426 1.00 61.35 C ATOM 1204 C MET A 473 7.370 13.265 -11.181 1.00 74.03 C ATOM 1205 O MET A 473 7.783 13.938 -10.237 1.00 21.51 O ATOM 1206 CB MET A 473 5.687 15.023 -11.984 1.00 42.24 C ATOM 1207 CG MET A 473 4.797 15.596 -13.104 1.00 35.15 C ATOM 1208 SD MET A 473 5.711 16.091 -14.576 1.00 50.31 S ATOM 1209 CE MET A 473 4.561 15.581 -15.855 1.00 43.24 C ATOM 0 H MET A 473 5.334 12.478 -12.990 1.00 51.34 H new ATOM 0 HA MET A 473 7.528 14.476 -12.980 1.00 61.35 H new ATOM 0 HB2 MET A 473 5.042 14.576 -11.228 1.00 42.24 H new ATOM 0 HB3 MET A 473 6.212 15.850 -11.506 1.00 42.24 H new ATOM 0 HG2 MET A 473 4.054 14.849 -13.383 1.00 35.15 H new ATOM 0 HG3 MET A 473 4.253 16.458 -12.718 1.00 35.15 H new ATOM 0 HE1 MET A 473 4.977 15.818 -16.834 1.00 43.24 H new ATOM 0 HE2 MET A 473 4.390 14.507 -15.783 1.00 43.24 H new ATOM 0 HE3 MET A 473 3.616 16.108 -15.726 1.00 43.24 H new ATOM 1219 N LYS A 474 7.440 11.908 -11.186 1.00 64.45 N ATOM 1220 CA LYS A 474 7.865 11.136 -9.960 1.00 31.30 C ATOM 1221 C LYS A 474 8.778 9.957 -10.390 1.00 43.24 C ATOM 1222 O LYS A 474 8.666 9.508 -11.534 1.00 65.42 O ATOM 1223 CB LYS A 474 6.635 10.583 -9.127 1.00 71.15 C ATOM 1224 CG LYS A 474 5.475 11.574 -8.791 1.00 51.41 C ATOM 1225 CD LYS A 474 5.781 12.580 -7.638 1.00 0.33 C ATOM 1226 CE LYS A 474 4.943 12.310 -6.367 1.00 12.30 C ATOM 1227 NZ LYS A 474 3.492 12.131 -6.677 1.00 1.43 N ATOM 0 H LYS A 474 7.217 11.328 -11.995 1.00 64.45 H new ATOM 0 HA LYS A 474 8.406 11.824 -9.310 1.00 31.30 H new ATOM 0 HB2 LYS A 474 6.209 9.744 -9.677 1.00 71.15 H new ATOM 0 HB3 LYS A 474 7.019 10.186 -8.187 1.00 71.15 H new ATOM 0 HG2 LYS A 474 5.228 12.139 -9.690 1.00 51.41 H new ATOM 0 HG3 LYS A 474 4.590 10.997 -8.524 1.00 51.41 H new ATOM 0 HD2 LYS A 474 6.840 12.526 -7.387 1.00 0.33 H new ATOM 0 HD3 LYS A 474 5.587 13.594 -7.986 1.00 0.33 H new ATOM 0 HE2 LYS A 474 5.319 11.417 -5.868 1.00 12.30 H new ATOM 0 HE3 LYS A 474 5.065 13.139 -5.670 1.00 12.30 H new ATOM 0 HZ1 LYS A 474 2.922 12.468 -5.875 1.00 1.43 H new ATOM 0 HZ2 LYS A 474 3.249 12.676 -7.529 1.00 1.43 H new ATOM 0 HZ3 LYS A 474 3.294 11.124 -6.843 1.00 1.43 H new ATOM 1241 N ARG A 475 9.689 9.455 -9.512 1.00 24.35 N ATOM 1242 CA ARG A 475 10.533 8.289 -9.899 1.00 13.22 C ATOM 1243 C ARG A 475 10.575 7.220 -8.794 1.00 34.30 C ATOM 1244 O ARG A 475 10.535 7.550 -7.601 1.00 31.44 O ATOM 1245 CB ARG A 475 11.988 8.729 -10.345 1.00 52.34 C ATOM 1246 CG ARG A 475 13.003 9.308 -9.275 1.00 61.34 C ATOM 1247 CD ARG A 475 12.952 10.846 -8.998 1.00 11.14 C ATOM 1248 NE ARG A 475 14.216 11.295 -8.396 1.00 71.42 N ATOM 1249 CZ ARG A 475 15.141 12.043 -9.025 1.00 23.22 C ATOM 1250 NH1 ARG A 475 14.961 12.460 -10.279 1.00 31.03 N ATOM 1251 NH2 ARG A 475 16.251 12.387 -8.382 1.00 53.10 N ATOM 0 H ARG A 475 9.855 9.819 -8.573 1.00 24.35 H new ATOM 0 HA ARG A 475 10.059 7.833 -10.769 1.00 13.22 H new ATOM 0 HB2 ARG A 475 12.462 7.862 -10.806 1.00 52.34 H new ATOM 0 HB3 ARG A 475 11.874 9.482 -11.125 1.00 52.34 H new ATOM 0 HG2 ARG A 475 12.831 8.789 -8.332 1.00 61.34 H new ATOM 0 HG3 ARG A 475 14.013 9.057 -9.598 1.00 61.34 H new ATOM 0 HD2 ARG A 475 12.772 11.385 -9.928 1.00 11.14 H new ATOM 0 HD3 ARG A 475 12.121 11.076 -8.331 1.00 11.14 H new ATOM 0 HE ARG A 475 14.405 11.020 -7.432 1.00 71.42 H new ATOM 0 HH11 ARG A 475 14.108 12.213 -10.781 1.00 31.03 H new ATOM 0 HH12 ARG A 475 15.676 13.026 -10.736 1.00 31.03 H new ATOM 0 HH21 ARG A 475 16.397 12.084 -7.419 1.00 53.10 H new ATOM 0 HH22 ARG A 475 16.957 12.954 -8.851 1.00 53.10 H new ATOM 1265 N LEU A 476 10.650 5.934 -9.209 1.00 53.02 N ATOM 1266 CA LEU A 476 10.534 4.797 -8.245 1.00 43.23 C ATOM 1267 C LEU A 476 11.970 4.325 -7.780 1.00 54.54 C ATOM 1268 O LEU A 476 12.714 3.824 -8.613 1.00 72.13 O ATOM 1269 CB LEU A 476 9.789 3.546 -8.907 1.00 25.43 C ATOM 1270 CG LEU A 476 8.332 3.640 -9.554 1.00 25.32 C ATOM 1271 CD1 LEU A 476 7.250 4.165 -8.614 1.00 21.25 C ATOM 1272 CD2 LEU A 476 8.300 4.413 -10.877 1.00 12.12 C ATOM 0 H LEU A 476 10.787 5.654 -10.180 1.00 53.02 H new ATOM 0 HA LEU A 476 9.955 5.154 -7.393 1.00 43.23 H new ATOM 0 HB2 LEU A 476 10.450 3.171 -9.688 1.00 25.43 H new ATOM 0 HB3 LEU A 476 9.736 2.776 -8.138 1.00 25.43 H new ATOM 0 HG LEU A 476 8.091 2.598 -9.762 1.00 25.32 H new ATOM 0 HD11 LEU A 476 6.295 4.194 -9.139 1.00 21.25 H new ATOM 0 HD12 LEU A 476 7.169 3.507 -7.749 1.00 21.25 H new ATOM 0 HD13 LEU A 476 7.513 5.169 -8.282 1.00 21.25 H new ATOM 0 HD21 LEU A 476 7.280 4.437 -11.260 1.00 12.12 H new ATOM 0 HD22 LEU A 476 8.650 5.432 -10.712 1.00 12.12 H new ATOM 0 HD23 LEU A 476 8.948 3.920 -11.602 1.00 12.12 H new ATOM 1284 N LYS A 477 12.401 4.518 -6.481 1.00 5.54 N ATOM 1285 CA LYS A 477 13.626 3.826 -5.967 1.00 1.41 C ATOM 1286 C LYS A 477 13.256 2.687 -4.979 1.00 52.13 C ATOM 1287 O LYS A 477 12.396 2.882 -4.116 1.00 43.11 O ATOM 1288 CB LYS A 477 14.587 4.845 -5.300 1.00 31.41 C ATOM 1289 CG LYS A 477 15.374 5.722 -6.282 1.00 44.52 C ATOM 1290 CD LYS A 477 16.266 6.723 -5.544 1.00 22.04 C ATOM 1291 CE LYS A 477 17.252 7.405 -6.478 1.00 33.22 C ATOM 1292 NZ LYS A 477 18.420 7.927 -5.732 1.00 54.41 N ATOM 0 H LYS A 477 11.935 5.122 -5.804 1.00 5.54 H new ATOM 0 HA LYS A 477 14.139 3.374 -6.816 1.00 1.41 H new ATOM 0 HB2 LYS A 477 14.008 5.491 -4.640 1.00 31.41 H new ATOM 0 HB3 LYS A 477 15.294 4.301 -4.673 1.00 31.41 H new ATOM 0 HG2 LYS A 477 15.987 5.091 -6.925 1.00 44.52 H new ATOM 0 HG3 LYS A 477 14.681 6.259 -6.930 1.00 44.52 H new ATOM 0 HD2 LYS A 477 15.643 7.476 -5.062 1.00 22.04 H new ATOM 0 HD3 LYS A 477 16.812 6.208 -4.754 1.00 22.04 H new ATOM 0 HE2 LYS A 477 17.588 6.698 -7.237 1.00 33.22 H new ATOM 0 HE3 LYS A 477 16.756 8.222 -7.001 1.00 33.22 H new ATOM 0 HZ1 LYS A 477 19.077 8.388 -6.394 1.00 54.41 H new ATOM 0 HZ2 LYS A 477 18.099 8.619 -5.025 1.00 54.41 H new ATOM 0 HZ3 LYS A 477 18.905 7.142 -5.253 1.00 54.41 H new ATOM 1306 N VAL A 478 13.895 1.493 -5.121 1.00 52.45 N ATOM 1307 CA VAL A 478 13.334 0.249 -4.568 1.00 33.14 C ATOM 1308 C VAL A 478 14.474 -0.678 -4.023 1.00 52.13 C ATOM 1309 O VAL A 478 15.570 -0.619 -4.587 1.00 31.42 O ATOM 1310 CB VAL A 478 12.461 -0.417 -5.695 1.00 22.11 C ATOM 1311 CG1 VAL A 478 12.593 -1.919 -5.755 1.00 13.23 C ATOM 1312 CG2 VAL A 478 10.994 -0.027 -5.565 1.00 63.03 C ATOM 0 H VAL A 478 14.784 1.376 -5.607 1.00 52.45 H new ATOM 0 HA VAL A 478 12.694 0.445 -3.708 1.00 33.14 H new ATOM 0 HB VAL A 478 12.856 -0.028 -6.633 1.00 22.11 H new ATOM 0 HG11 VAL A 478 11.963 -2.308 -6.555 1.00 13.23 H new ATOM 0 HG12 VAL A 478 13.632 -2.185 -5.949 1.00 13.23 H new ATOM 0 HG13 VAL A 478 12.279 -2.350 -4.804 1.00 13.23 H new ATOM 0 HG21 VAL A 478 10.419 -0.504 -6.359 1.00 63.03 H new ATOM 0 HG22 VAL A 478 10.615 -0.353 -4.596 1.00 63.03 H new ATOM 0 HG23 VAL A 478 10.897 1.056 -5.647 1.00 63.03 H new ATOM 1322 N GLN A 479 14.253 -1.535 -2.958 1.00 45.21 N ATOM 1323 CA GLN A 479 15.378 -2.400 -2.456 1.00 55.21 C ATOM 1324 C GLN A 479 14.927 -3.706 -1.754 1.00 34.03 C ATOM 1325 O GLN A 479 13.778 -3.843 -1.332 1.00 34.11 O ATOM 1326 CB GLN A 479 16.326 -1.616 -1.522 1.00 43.45 C ATOM 1327 CG GLN A 479 17.824 -1.873 -1.798 1.00 64.43 C ATOM 1328 CD GLN A 479 18.484 -0.813 -2.676 1.00 71.12 C ATOM 1329 OE1 GLN A 479 19.027 0.169 -2.170 1.00 53.11 O ATOM 1330 NE2 GLN A 479 18.443 -0.993 -3.988 1.00 32.23 N ATOM 0 H GLN A 479 13.367 -1.639 -2.464 1.00 45.21 H new ATOM 0 HA GLN A 479 15.908 -2.699 -3.360 1.00 55.21 H new ATOM 0 HB2 GLN A 479 16.124 -0.550 -1.626 1.00 43.45 H new ATOM 0 HB3 GLN A 479 16.105 -1.883 -0.488 1.00 43.45 H new ATOM 0 HG2 GLN A 479 18.355 -1.924 -0.847 1.00 64.43 H new ATOM 0 HG3 GLN A 479 17.933 -2.846 -2.277 1.00 64.43 H new ATOM 0 HE21 GLN A 479 17.985 -1.818 -4.376 1.00 32.23 H new ATOM 0 HE22 GLN A 479 18.869 -0.307 -4.611 1.00 32.23 H new ATOM 1339 N LEU A 480 15.898 -4.660 -1.640 1.00 13.31 N ATOM 1340 CA LEU A 480 15.746 -5.943 -0.862 1.00 33.53 C ATOM 1341 C LEU A 480 15.794 -5.523 0.651 1.00 11.51 C ATOM 1342 O LEU A 480 16.775 -4.865 1.012 1.00 53.13 O ATOM 1343 CB LEU A 480 16.924 -6.917 -1.361 1.00 34.32 C ATOM 1344 CG LEU A 480 17.149 -8.392 -0.808 1.00 70.20 C ATOM 1345 CD1 LEU A 480 17.941 -9.188 -1.842 1.00 15.41 C ATOM 1346 CD2 LEU A 480 17.999 -8.405 0.466 1.00 72.40 C ATOM 0 H LEU A 480 16.812 -4.567 -2.083 1.00 13.31 H new ATOM 0 HA LEU A 480 14.817 -6.494 -1.009 1.00 33.53 H new ATOM 0 HB2 LEU A 480 16.806 -7.011 -2.440 1.00 34.32 H new ATOM 0 HB3 LEU A 480 17.857 -6.381 -1.188 1.00 34.32 H new ATOM 0 HG LEU A 480 16.164 -8.811 -0.604 1.00 70.20 H new ATOM 0 HD11 LEU A 480 18.102 -10.202 -1.475 1.00 15.41 H new ATOM 0 HD12 LEU A 480 17.383 -9.225 -2.778 1.00 15.41 H new ATOM 0 HD13 LEU A 480 18.904 -8.706 -2.012 1.00 15.41 H new ATOM 0 HD21 LEU A 480 18.127 -9.432 0.808 1.00 72.40 H new ATOM 0 HD22 LEU A 480 18.975 -7.968 0.256 1.00 72.40 H new ATOM 0 HD23 LEU A 480 17.501 -7.824 1.242 1.00 72.40 H new ATOM 1358 N LYS A 481 14.743 -5.848 1.517 1.00 43.52 N ATOM 1359 CA LYS A 481 14.480 -5.066 2.780 1.00 43.01 C ATOM 1360 C LYS A 481 15.687 -4.949 3.694 1.00 23.01 C ATOM 1361 O LYS A 481 16.294 -5.925 4.147 1.00 70.42 O ATOM 1362 CB LYS A 481 13.160 -5.493 3.576 1.00 23.32 C ATOM 1363 CG LYS A 481 13.172 -6.567 4.783 1.00 25.35 C ATOM 1364 CD LYS A 481 13.879 -6.096 6.130 1.00 13.35 C ATOM 1365 CE LYS A 481 13.692 -7.073 7.321 1.00 20.23 C ATOM 1366 NZ LYS A 481 14.094 -6.473 8.640 1.00 33.04 N ATOM 0 H LYS A 481 14.095 -6.620 1.359 1.00 43.52 H new ATOM 0 HA LYS A 481 14.276 -4.062 2.408 1.00 43.01 H new ATOM 0 HB2 LYS A 481 12.732 -4.576 3.981 1.00 23.32 H new ATOM 0 HB3 LYS A 481 12.458 -5.870 2.832 1.00 23.32 H new ATOM 0 HG2 LYS A 481 12.141 -6.837 5.012 1.00 25.35 H new ATOM 0 HG3 LYS A 481 13.669 -7.472 4.433 1.00 25.35 H new ATOM 0 HD2 LYS A 481 14.945 -5.969 5.942 1.00 13.35 H new ATOM 0 HD3 LYS A 481 13.486 -5.119 6.411 1.00 13.35 H new ATOM 0 HE2 LYS A 481 12.648 -7.381 7.371 1.00 20.23 H new ATOM 0 HE3 LYS A 481 14.281 -7.972 7.142 1.00 20.23 H new ATOM 0 HZ1 LYS A 481 13.948 -7.170 9.398 1.00 33.04 H new ATOM 0 HZ2 LYS A 481 15.098 -6.203 8.607 1.00 33.04 H new ATOM 0 HZ3 LYS A 481 13.515 -5.630 8.829 1.00 33.04 H new ATOM 1380 N ARG A 482 16.063 -3.696 3.862 1.00 43.41 N ATOM 1381 CA ARG A 482 17.088 -3.286 4.773 1.00 64.41 C ATOM 1382 C ARG A 482 16.405 -2.801 6.059 1.00 35.23 C ATOM 1383 O ARG A 482 15.195 -2.530 6.023 1.00 21.12 O ATOM 1384 CB ARG A 482 17.950 -2.193 4.084 1.00 13.34 C ATOM 1385 CG ARG A 482 17.289 -0.807 3.781 1.00 21.55 C ATOM 1386 CD ARG A 482 16.423 -0.741 2.494 1.00 13.52 C ATOM 1387 NE ARG A 482 16.208 0.655 2.091 1.00 45.50 N ATOM 1388 CZ ARG A 482 16.915 1.290 1.135 1.00 24.15 C ATOM 1389 NH1 ARG A 482 17.929 0.683 0.542 1.00 62.01 N ATOM 1390 NH2 ARG A 482 16.656 2.555 0.845 1.00 2.24 N ATOM 0 H ARG A 482 15.645 -2.920 3.348 1.00 43.41 H new ATOM 0 HA ARG A 482 17.761 -4.100 5.042 1.00 64.41 H new ATOM 0 HB2 ARG A 482 18.824 -2.015 4.711 1.00 13.34 H new ATOM 0 HB3 ARG A 482 18.313 -2.601 3.141 1.00 13.34 H new ATOM 0 HG2 ARG A 482 16.666 -0.529 4.631 1.00 21.55 H new ATOM 0 HG3 ARG A 482 18.077 -0.058 3.705 1.00 21.55 H new ATOM 0 HD2 ARG A 482 16.915 -1.287 1.689 1.00 13.52 H new ATOM 0 HD3 ARG A 482 15.463 -1.227 2.669 1.00 13.52 H new ATOM 0 HE ARG A 482 15.474 1.180 2.567 1.00 45.50 H new ATOM 0 HH11 ARG A 482 18.179 -0.270 0.807 1.00 62.01 H new ATOM 0 HH12 ARG A 482 18.461 1.167 -0.181 1.00 62.01 H new ATOM 0 HH21 ARG A 482 15.919 3.052 1.345 1.00 2.24 H new ATOM 0 HH22 ARG A 482 17.193 3.033 0.121 1.00 2.24 H new ATOM 1404 N SER A 483 17.153 -2.768 7.176 1.00 12.44 N ATOM 1405 CA SER A 483 16.628 -2.393 8.516 1.00 30.05 C ATOM 1406 C SER A 483 15.785 -1.088 8.497 1.00 72.23 C ATOM 1407 O SER A 483 16.282 -0.023 8.104 1.00 1.34 O ATOM 1408 CB SER A 483 17.820 -2.269 9.505 1.00 4.21 C ATOM 1409 OG SER A 483 18.585 -3.467 9.508 1.00 42.33 O ATOM 0 H SER A 483 18.146 -3.001 7.182 1.00 12.44 H new ATOM 0 HA SER A 483 15.947 -3.180 8.842 1.00 30.05 H new ATOM 0 HB2 SER A 483 18.451 -1.427 9.221 1.00 4.21 H new ATOM 0 HB3 SER A 483 17.449 -2.064 10.509 1.00 4.21 H new ATOM 0 HG SER A 483 19.334 -3.375 10.134 1.00 42.33 H new