USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 721 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 86 ASN : amide:sc= 0.265 K(o=-7.4,f=-9.3) USER MOD Set 1.2: A 90 ASN : amide:sc= -7.71! C(o=-7.4!,f=-7.9!) USER MOD Set 2.1: A 16 GLN : amide:sc= -1.25! K(o=-2!,f=0.33) USER MOD Set 2.2: A 83 SER OG : rot 147:sc= -0.736 USER MOD Set 3.1: A 56 GLN : amide:sc= -3.04! C(o=-7.2!,f=-15!) USER MOD Set 3.2: A 68 HIS : no HE2:sc= -4.17! C(o=-7.2!,f=-25!) USER MOD Set 4.1: A 64 THR OG1 : rot 53:sc= 0.899 USER MOD Set 4.2: A 67 SER OG : rot -117:sc= 2.07 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0594 (180deg=-0.129) USER MOD Single : A 1 MET N :NH3+ -138:sc= -1.41 (180deg=-3.91!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.084 USER MOD Single : A 4 GLN : amide:sc= -0.996 K(o=-1,f=0) USER MOD Single : A 11 SER OG : rot 75:sc= 0.862 USER MOD Single : A 17 MET CE :methyl 152:sc= -0.0486 (180deg=-0.706) USER MOD Single : A 18 HIS : no HE2:sc= 0.518 K(o=0.52,f=-8.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -142:sc= -0.961 (180deg=-4.97!) USER MOD Single : A 31 THR OG1 : rot -31:sc= -1.32 USER MOD Single : A 34 SER OG : rot 180:sc= -0.317 USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= 0.281 (180deg=-2.61!) USER MOD Single : A 38 MET CE :methyl -160:sc= -7.36! (180deg=-8.69!) USER MOD Single : A 43 TYR OH : rot 110:sc= 0.344 USER MOD Single : A 50 GLN : amide:sc= 0.764 K(o=0.76,f=-11!) USER MOD Single : A 51 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.52) USER MOD Single : A 62 GLN : amide:sc= -0.58 K(o=-0.58,f=-1.8) USER MOD Single : A 66 HIS : no HE2:sc= -3.18! C(o=-3.2!,f=-11!) USER MOD Single : A 72 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.68) USER MOD Single : A 73 ASN : amide:sc= -0.26! C(o=-0.26!,f=-12!) USER MOD Single : A 76 SER OG : rot -64:sc= 1.07 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0256 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0153 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.214 0.337 -0.069 1.00 3.24 N ATOM 2 CA MET A 1 4.965 -0.412 0.204 1.00 12.54 C ATOM 3 C MET A 1 4.560 -1.249 -1.018 1.00 41.00 C ATOM 4 O MET A 1 4.287 -2.441 -0.889 1.00 41.40 O ATOM 5 CB MET A 1 3.831 0.556 0.598 1.00 64.21 C ATOM 6 CG MET A 1 3.388 0.283 2.039 1.00 31.12 C ATOM 7 SD MET A 1 2.913 -1.462 2.204 1.00 74.30 S ATOM 8 CE MET A 1 4.083 -1.908 3.513 1.00 21.22 C ATOM 0 H1 MET A 1 6.834 0.294 0.765 1.00 3.24 H new ATOM 0 H2 MET A 1 6.701 -0.086 -0.884 1.00 3.24 H new ATOM 0 H3 MET A 1 5.985 1.329 -0.280 1.00 3.24 H new ATOM 0 HA MET A 1 5.145 -1.089 1.039 1.00 12.54 H new ATOM 0 HB2 MET A 1 4.172 1.587 0.502 1.00 64.21 H new ATOM 0 HB3 MET A 1 2.986 0.435 -0.080 1.00 64.21 H new ATOM 0 HG2 MET A 1 4.197 0.518 2.731 1.00 31.12 H new ATOM 0 HG3 MET A 1 2.548 0.926 2.301 1.00 31.12 H new ATOM 0 HE1 MET A 1 4.191 -2.992 3.551 1.00 21.22 H new ATOM 0 HE2 MET A 1 5.052 -1.454 3.305 1.00 21.22 H new ATOM 0 HE3 MET A 1 3.711 -1.546 4.472 1.00 21.22 H new ATOM 20 N PRO A 2 4.452 -0.647 -2.194 1.00 54.43 N ATOM 21 CA PRO A 2 3.994 -1.378 -3.426 1.00 61.14 C ATOM 22 C PRO A 2 4.823 -2.627 -3.685 1.00 54.42 C ATOM 23 O PRO A 2 4.272 -3.715 -3.895 1.00 70.24 O ATOM 24 CB PRO A 2 4.210 -0.351 -4.540 1.00 31.13 C ATOM 25 CG PRO A 2 4.095 0.966 -3.850 1.00 35.04 C ATOM 26 CD PRO A 2 4.739 0.768 -2.481 1.00 21.25 C ATOM 0 HA PRO A 2 2.965 -1.727 -3.344 1.00 61.14 H new ATOM 0 HB2 PRO A 2 5.187 -0.471 -5.009 1.00 31.13 H new ATOM 0 HB3 PRO A 2 3.464 -0.455 -5.328 1.00 31.13 H new ATOM 0 HG2 PRO A 2 4.603 1.749 -4.413 1.00 35.04 H new ATOM 0 HG3 PRO A 2 3.052 1.268 -3.753 1.00 35.04 H new ATOM 0 HD2 PRO A 2 5.810 0.968 -2.504 1.00 21.25 H new ATOM 0 HD3 PRO A 2 4.307 1.430 -1.730 1.00 21.25 H new ATOM 34 N THR A 3 6.128 -2.502 -3.533 1.00 60.23 N ATOM 35 CA THR A 3 7.009 -3.644 -3.628 1.00 34.02 C ATOM 36 C THR A 3 7.208 -4.217 -2.232 1.00 24.54 C ATOM 37 O THR A 3 8.137 -3.825 -1.511 1.00 23.13 O ATOM 38 CB THR A 3 8.351 -3.224 -4.242 1.00 41.34 C ATOM 39 OG1 THR A 3 8.626 -1.870 -3.887 1.00 64.32 O ATOM 40 CG2 THR A 3 8.275 -3.341 -5.769 1.00 33.11 C ATOM 0 H THR A 3 6.599 -1.618 -3.343 1.00 60.23 H new ATOM 0 HA THR A 3 6.571 -4.405 -4.273 1.00 34.02 H new ATOM 0 HB THR A 3 9.143 -3.872 -3.867 1.00 41.34 H new ATOM 0 HG1 THR A 3 9.483 -1.598 -4.276 1.00 64.32 H new ATOM 0 HG21 THR A 3 9.229 -3.043 -6.205 1.00 33.11 H new ATOM 0 HG22 THR A 3 8.057 -4.373 -6.044 1.00 33.11 H new ATOM 0 HG23 THR A 3 7.485 -2.691 -6.145 1.00 33.11 H new ATOM 48 N GLN A 4 6.263 -5.026 -1.798 1.00 24.52 N ATOM 49 CA GLN A 4 6.272 -5.522 -0.437 1.00 33.21 C ATOM 50 C GLN A 4 7.481 -6.396 -0.183 1.00 75.12 C ATOM 51 O GLN A 4 7.908 -7.165 -1.049 1.00 45.13 O ATOM 52 CB GLN A 4 4.993 -6.298 -0.126 1.00 50.20 C ATOM 53 CG GLN A 4 3.786 -5.351 -0.162 1.00 63.15 C ATOM 54 CD GLN A 4 2.510 -6.105 0.186 1.00 61.42 C ATOM 55 OE1 GLN A 4 1.527 -5.495 0.619 1.00 73.13 O ATOM 56 NE2 GLN A 4 2.457 -7.391 0.023 1.00 13.31 N ATOM 0 H GLN A 4 5.481 -5.353 -2.366 1.00 24.52 H new ATOM 0 HA GLN A 4 6.324 -4.657 0.224 1.00 33.21 H new ATOM 0 HB2 GLN A 4 4.859 -7.100 -0.851 1.00 50.20 H new ATOM 0 HB3 GLN A 4 5.070 -6.765 0.856 1.00 50.20 H new ATOM 0 HG2 GLN A 4 3.936 -4.533 0.542 1.00 63.15 H new ATOM 0 HG3 GLN A 4 3.694 -4.906 -1.153 1.00 63.15 H new ATOM 0 HE21 GLN A 4 3.269 -7.894 -0.335 1.00 13.31 H new ATOM 0 HE22 GLN A 4 1.603 -7.899 0.252 1.00 13.31 H new ATOM 65 N ASP A 5 7.995 -6.311 1.019 1.00 70.34 N ATOM 66 CA ASP A 5 9.110 -7.138 1.434 1.00 52.01 C ATOM 67 C ASP A 5 8.608 -8.531 1.708 1.00 14.04 C ATOM 68 O ASP A 5 7.402 -8.778 1.645 1.00 34.30 O ATOM 69 CB ASP A 5 9.762 -6.558 2.693 1.00 72.04 C ATOM 70 CG ASP A 5 10.656 -5.388 2.328 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.160 -4.428 1.778 1.00 63.22 O ATOM 72 OD2 ASP A 5 11.832 -5.461 2.593 1.00 71.24 O ATOM 0 H ASP A 5 7.657 -5.671 1.737 1.00 70.34 H new ATOM 0 HA ASP A 5 9.858 -7.165 0.642 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.992 -6.233 3.393 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.346 -7.328 3.197 1.00 72.04 H new ATOM 77 N ILE A 6 9.502 -9.431 2.020 1.00 61.21 N ATOM 78 CA ILE A 6 9.117 -10.808 2.270 1.00 73.32 C ATOM 79 C ILE A 6 9.589 -11.275 3.633 1.00 11.45 C ATOM 80 O ILE A 6 10.493 -10.683 4.234 1.00 13.11 O ATOM 81 CB ILE A 6 9.679 -11.727 1.180 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.209 -11.647 1.169 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.142 -11.292 -0.188 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.764 -12.721 0.245 1.00 10.12 C ATOM 0 H ILE A 6 10.501 -9.244 2.109 1.00 61.21 H new ATOM 0 HA ILE A 6 8.028 -10.855 2.252 1.00 73.32 H new ATOM 0 HB ILE A 6 9.371 -12.752 1.386 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.530 -10.661 0.833 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.599 -11.783 2.178 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.543 -11.947 -0.961 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.054 -11.354 -0.188 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.447 -10.265 -0.389 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.853 -12.666 0.236 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.453 -13.703 0.601 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.384 -12.564 -0.765 1.00 10.12 H new ATOM 96 N ARG A 7 8.960 -12.332 4.120 1.00 43.32 N ATOM 97 CA ARG A 7 9.290 -12.896 5.417 1.00 44.44 C ATOM 98 C ARG A 7 10.290 -14.022 5.241 1.00 14.40 C ATOM 99 O ARG A 7 10.006 -15.006 4.548 1.00 73.14 O ATOM 100 CB ARG A 7 8.029 -13.461 6.085 1.00 13.53 C ATOM 101 CG ARG A 7 6.974 -12.360 6.210 1.00 74.33 C ATOM 102 CD ARG A 7 5.700 -12.945 6.824 1.00 62.21 C ATOM 103 NE ARG A 7 5.084 -13.912 5.906 1.00 62.41 N ATOM 104 CZ ARG A 7 3.962 -14.558 6.221 1.00 20.20 C ATOM 105 NH1 ARG A 7 3.376 -14.321 7.359 1.00 41.23 N ATOM 106 NH2 ARG A 7 3.459 -15.418 5.389 1.00 33.44 N ATOM 0 H ARG A 7 8.210 -12.820 3.630 1.00 43.32 H new ATOM 0 HA ARG A 7 9.714 -12.110 6.042 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.635 -14.290 5.498 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.274 -13.857 7.071 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.351 -11.548 6.832 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.757 -11.936 5.230 1.00 74.33 H new ATOM 0 HD2 ARG A 7 5.936 -13.432 7.770 1.00 62.21 H new ATOM 0 HD3 ARG A 7 4.995 -12.144 7.045 1.00 62.21 H new ATOM 0 HE ARG A 7 5.526 -14.094 5.005 1.00 62.41 H new ATOM 0 HH11 ARG A 7 3.776 -13.642 8.007 1.00 41.23 H new ATOM 0 HH12 ARG A 7 2.517 -14.814 7.603 1.00 41.23 H new ATOM 0 HH21 ARG A 7 3.922 -15.597 4.498 1.00 33.44 H new ATOM 0 HH22 ARG A 7 2.600 -15.915 5.626 1.00 33.44 H new ATOM 120 N LEU A 8 11.421 -13.895 5.900 1.00 14.31 N ATOM 121 CA LEU A 8 12.463 -14.905 5.880 1.00 32.33 C ATOM 122 C LEU A 8 12.641 -15.456 7.285 1.00 71.45 C ATOM 123 O LEU A 8 12.858 -14.689 8.231 1.00 32.14 O ATOM 124 CB LEU A 8 13.779 -14.264 5.384 1.00 51.41 C ATOM 125 CG LEU A 8 14.887 -15.319 5.137 1.00 41.23 C ATOM 126 CD1 LEU A 8 15.652 -15.597 6.432 1.00 43.15 C ATOM 127 CD2 LEU A 8 14.295 -16.625 4.595 1.00 70.54 C ATOM 0 H LEU A 8 11.648 -13.081 6.471 1.00 14.31 H new ATOM 0 HA LEU A 8 12.190 -15.719 5.208 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.589 -13.716 4.461 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.128 -13.539 6.119 1.00 51.41 H new ATOM 0 HG LEU A 8 15.573 -14.916 4.392 1.00 41.23 H new ATOM 0 HD11 LEU A 8 16.427 -16.340 6.244 1.00 43.15 H new ATOM 0 HD12 LEU A 8 16.111 -14.675 6.788 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.963 -15.975 7.188 1.00 43.15 H new ATOM 0 HD21 LEU A 8 15.095 -17.347 4.431 1.00 70.54 H new ATOM 0 HD22 LEU A 8 13.584 -17.029 5.316 1.00 70.54 H new ATOM 0 HD23 LEU A 8 13.784 -16.429 3.652 1.00 70.54 H new ATOM 139 N TRP A 9 12.522 -16.767 7.439 1.00 31.14 N ATOM 140 CA TRP A 9 12.686 -17.371 8.758 1.00 63.14 C ATOM 141 C TRP A 9 14.115 -17.809 8.923 1.00 61.44 C ATOM 142 O TRP A 9 14.660 -18.489 8.048 1.00 73.50 O ATOM 143 CB TRP A 9 11.809 -18.613 8.916 1.00 41.11 C ATOM 144 CG TRP A 9 10.452 -18.401 8.348 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.779 -17.228 8.309 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.594 -19.388 7.738 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.552 -17.447 7.707 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.400 -18.769 7.334 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.749 -20.759 7.487 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.388 -19.486 6.710 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.735 -21.488 6.862 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.555 -20.849 6.473 1.00 21.20 C ATOM 0 H TRP A 9 12.317 -17.423 6.686 1.00 31.14 H new ATOM 0 HA TRP A 9 12.401 -16.627 9.502 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.283 -19.460 8.420 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.726 -18.868 9.972 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.138 -16.281 8.684 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.849 -16.724 7.557 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.662 -21.256 7.780 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.477 -18.990 6.410 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.863 -22.545 6.680 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.771 -21.412 5.988 1.00 21.20 H new ATOM 163 N VAL A 10 14.689 -17.536 10.068 1.00 73.13 N ATOM 164 CA VAL A 10 16.021 -18.013 10.342 1.00 21.41 C ATOM 165 C VAL A 10 16.000 -18.936 11.548 1.00 54.12 C ATOM 166 O VAL A 10 15.489 -18.571 12.617 1.00 12.11 O ATOM 167 CB VAL A 10 16.978 -16.837 10.568 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.414 -17.276 10.296 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.615 -15.687 9.624 1.00 2.31 C ATOM 0 H VAL A 10 14.261 -16.992 10.817 1.00 73.13 H new ATOM 0 HA VAL A 10 16.381 -18.575 9.480 1.00 21.41 H new ATOM 0 HB VAL A 10 16.891 -16.503 11.602 1.00 41.13 H new ATOM 0 HG11 VAL A 10 19.088 -16.435 10.459 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.680 -18.090 10.971 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.501 -17.617 9.264 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.297 -14.853 9.788 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.696 -16.025 8.591 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.593 -15.364 9.821 1.00 2.31 H new ATOM 179 N SER A 11 16.530 -20.131 11.368 1.00 71.44 N ATOM 180 CA SER A 11 16.580 -21.116 12.432 1.00 32.15 C ATOM 181 C SER A 11 17.876 -20.941 13.194 1.00 55.14 C ATOM 182 O SER A 11 18.957 -21.084 12.618 1.00 33.30 O ATOM 183 CB SER A 11 16.515 -22.515 11.822 1.00 73.42 C ATOM 184 OG SER A 11 15.659 -22.477 10.673 1.00 53.13 O ATOM 0 H SER A 11 16.936 -20.445 10.486 1.00 71.44 H new ATOM 0 HA SER A 11 15.738 -20.985 13.112 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.513 -22.850 11.539 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.135 -23.228 12.553 1.00 73.42 H new ATOM 0 HG SER A 11 16.128 -22.044 9.930 1.00 53.13 H new ATOM 190 N VAL A 12 17.779 -20.544 14.448 1.00 44.50 N ATOM 191 CA VAL A 12 18.961 -20.230 15.225 1.00 65.33 C ATOM 192 C VAL A 12 19.331 -21.392 16.138 1.00 31.54 C ATOM 193 O VAL A 12 18.594 -21.717 17.074 1.00 45.10 O ATOM 194 CB VAL A 12 18.709 -18.959 16.042 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.026 -18.418 16.605 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.047 -17.887 15.159 1.00 44.14 C ATOM 0 H VAL A 12 16.897 -20.432 14.948 1.00 44.50 H new ATOM 0 HA VAL A 12 19.798 -20.060 14.548 1.00 65.33 H new ATOM 0 HB VAL A 12 18.044 -19.206 16.870 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.831 -17.515 17.183 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.482 -19.170 17.249 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.704 -18.184 15.784 1.00 53.10 H new ATOM 0 HG21 VAL A 12 17.872 -16.987 15.749 1.00 44.14 H new ATOM 0 HG22 VAL A 12 18.703 -17.650 14.321 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.097 -18.263 14.781 1.00 44.14 H new ATOM 206 N GLU A 13 20.490 -21.987 15.878 1.00 65.32 N ATOM 207 CA GLU A 13 21.004 -23.083 16.691 1.00 15.40 C ATOM 208 C GLU A 13 22.339 -22.687 17.322 1.00 23.23 C ATOM 209 O GLU A 13 23.271 -22.300 16.622 1.00 42.34 O ATOM 210 CB GLU A 13 21.184 -24.341 15.831 1.00 20.03 C ATOM 211 CG GLU A 13 19.812 -24.864 15.379 1.00 1.01 C ATOM 212 CD GLU A 13 19.980 -26.047 14.450 1.00 64.42 C ATOM 213 OE1 GLU A 13 20.786 -25.958 13.559 1.00 34.31 O ATOM 214 OE2 GLU A 13 19.299 -27.028 14.635 1.00 14.21 O ATOM 0 H GLU A 13 21.097 -21.725 15.101 1.00 65.32 H new ATOM 0 HA GLU A 13 20.287 -23.297 17.483 1.00 15.40 H new ATOM 0 HB2 GLU A 13 21.801 -24.113 14.962 1.00 20.03 H new ATOM 0 HB3 GLU A 13 21.707 -25.110 16.400 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.223 -25.156 16.248 1.00 1.01 H new ATOM 0 HG3 GLU A 13 19.262 -24.071 14.873 1.00 1.01 H new ATOM 221 N ASP A 14 22.402 -22.731 18.640 1.00 22.33 N ATOM 222 CA ASP A 14 23.599 -22.328 19.370 1.00 31.53 C ATOM 223 C ASP A 14 24.485 -23.505 19.705 1.00 2.03 C ATOM 224 O ASP A 14 24.007 -24.622 19.945 1.00 12.43 O ATOM 225 CB ASP A 14 23.217 -21.547 20.631 1.00 1.42 C ATOM 226 CG ASP A 14 24.243 -21.708 21.728 1.00 22.13 C ATOM 227 OD1 ASP A 14 25.368 -21.302 21.543 1.00 24.52 O ATOM 228 OD2 ASP A 14 23.884 -22.231 22.750 1.00 34.20 O ATOM 0 H ASP A 14 21.634 -23.044 19.234 1.00 22.33 H new ATOM 0 HA ASP A 14 24.178 -21.675 18.718 1.00 31.53 H new ATOM 0 HB2 ASP A 14 23.112 -20.490 20.385 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.246 -21.889 20.989 1.00 1.42 H new ATOM 233 N ALA A 15 25.773 -23.231 19.780 1.00 64.23 N ATOM 234 CA ALA A 15 26.772 -24.222 20.129 1.00 62.10 C ATOM 235 C ALA A 15 26.511 -24.761 21.522 1.00 0.30 C ATOM 236 O ALA A 15 26.635 -25.959 21.764 1.00 4.10 O ATOM 237 CB ALA A 15 28.162 -23.595 20.075 1.00 72.21 C ATOM 0 H ALA A 15 26.159 -22.305 19.598 1.00 64.23 H new ATOM 0 HA ALA A 15 26.717 -25.043 19.415 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.909 -24.344 20.338 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.356 -23.227 19.068 1.00 72.21 H new ATOM 0 HB3 ALA A 15 28.215 -22.766 20.781 1.00 72.21 H new ATOM 243 N GLN A 16 26.081 -23.889 22.422 1.00 3.31 N ATOM 244 CA GLN A 16 25.726 -24.319 23.772 1.00 70.51 C ATOM 245 C GLN A 16 24.319 -24.922 23.783 1.00 44.44 C ATOM 246 O GLN A 16 23.756 -25.207 24.848 1.00 43.52 O ATOM 247 CB GLN A 16 25.860 -23.173 24.789 1.00 25.04 C ATOM 248 CG GLN A 16 27.296 -22.633 24.760 1.00 60.51 C ATOM 249 CD GLN A 16 28.277 -23.741 25.099 1.00 52.33 C ATOM 250 OE1 GLN A 16 28.133 -24.409 26.130 1.00 42.31 O ATOM 251 NE2 GLN A 16 29.253 -23.996 24.297 1.00 32.13 N ATOM 0 H GLN A 16 25.969 -22.890 22.248 1.00 3.31 H new ATOM 0 HA GLN A 16 26.431 -25.092 24.078 1.00 70.51 H new ATOM 0 HB2 GLN A 16 25.155 -22.376 24.551 1.00 25.04 H new ATOM 0 HB3 GLN A 16 25.613 -23.529 25.789 1.00 25.04 H new ATOM 0 HG2 GLN A 16 27.520 -22.227 23.774 1.00 60.51 H new ATOM 0 HG3 GLN A 16 27.399 -21.815 25.472 1.00 60.51 H new ATOM 0 HE21 GLN A 16 29.372 -23.445 23.447 1.00 32.13 H new ATOM 0 HE22 GLN A 16 29.907 -24.749 24.512 1.00 32.13 H new ATOM 260 N MET A 17 23.793 -25.163 22.579 1.00 5.31 N ATOM 261 CA MET A 17 22.515 -25.843 22.356 1.00 12.12 C ATOM 262 C MET A 17 21.292 -24.940 22.517 1.00 54.32 C ATOM 263 O MET A 17 20.154 -25.432 22.497 1.00 30.13 O ATOM 264 CB MET A 17 22.378 -27.115 23.212 1.00 21.12 C ATOM 265 CG MET A 17 23.423 -28.146 22.764 1.00 2.23 C ATOM 266 SD MET A 17 23.291 -29.631 23.788 1.00 25.23 S ATOM 267 CE MET A 17 21.743 -30.260 23.085 1.00 74.04 C ATOM 0 H MET A 17 24.254 -24.884 21.713 1.00 5.31 H new ATOM 0 HA MET A 17 22.536 -26.138 21.307 1.00 12.12 H new ATOM 0 HB2 MET A 17 22.517 -26.874 24.266 1.00 21.12 H new ATOM 0 HB3 MET A 17 21.375 -27.529 23.110 1.00 21.12 H new ATOM 0 HG2 MET A 17 23.270 -28.401 21.715 1.00 2.23 H new ATOM 0 HG3 MET A 17 24.424 -27.723 22.847 1.00 2.23 H new ATOM 0 HE1 MET A 17 21.716 -31.346 23.178 1.00 74.04 H new ATOM 0 HE2 MET A 17 20.898 -29.828 23.621 1.00 74.04 H new ATOM 0 HE3 MET A 17 21.683 -29.985 22.032 1.00 74.04 H new ATOM 277 N HIS A 18 21.489 -23.627 22.520 1.00 43.51 N ATOM 278 CA HIS A 18 20.328 -22.733 22.520 1.00 22.43 C ATOM 279 C HIS A 18 19.702 -22.752 21.130 1.00 34.12 C ATOM 280 O HIS A 18 20.407 -22.629 20.127 1.00 31.44 O ATOM 281 CB HIS A 18 20.710 -21.289 22.888 1.00 70.50 C ATOM 282 CG HIS A 18 21.222 -21.221 24.295 1.00 40.41 C ATOM 283 ND1 HIS A 18 22.545 -21.480 24.608 1.00 0.13 N ATOM 284 CD2 HIS A 18 20.609 -20.899 25.481 1.00 21.11 C ATOM 285 CE1 HIS A 18 22.688 -21.306 25.939 1.00 21.41 C ATOM 286 NE2 HIS A 18 21.535 -20.950 26.518 1.00 74.45 N ATOM 0 H HIS A 18 22.400 -23.168 22.522 1.00 43.51 H new ATOM 0 HA HIS A 18 19.623 -23.087 23.272 1.00 22.43 H new ATOM 0 HB2 HIS A 18 21.472 -20.922 22.200 1.00 70.50 H new ATOM 0 HB3 HIS A 18 19.842 -20.639 22.779 1.00 70.50 H new ATOM 0 HD1 HIS A 18 23.278 -21.752 23.953 1.00 0.13 H new ATOM 0 HD2 HIS A 18 19.565 -20.645 25.592 1.00 21.11 H new ATOM 0 HE1 HIS A 18 23.618 -21.438 26.471 1.00 21.41 H new ATOM 295 N THR A 19 18.411 -22.996 21.057 1.00 71.41 N ATOM 296 CA THR A 19 17.745 -23.075 19.768 1.00 41.11 C ATOM 297 C THR A 19 16.589 -22.085 19.706 1.00 2.13 C ATOM 298 O THR A 19 15.647 -22.191 20.485 1.00 64.45 O ATOM 299 CB THR A 19 17.226 -24.498 19.561 1.00 2.14 C ATOM 300 OG1 THR A 19 18.266 -25.428 19.874 1.00 11.24 O ATOM 301 CG2 THR A 19 16.802 -24.691 18.103 1.00 20.53 C ATOM 0 H THR A 19 17.804 -23.142 21.864 1.00 71.41 H new ATOM 0 HA THR A 19 18.455 -22.824 18.980 1.00 41.11 H new ATOM 0 HB THR A 19 16.367 -24.666 20.211 1.00 2.14 H new ATOM 0 HG1 THR A 19 17.937 -26.342 19.744 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.433 -25.707 17.963 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.012 -23.981 17.857 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.658 -24.522 17.450 1.00 20.53 H new ATOM 309 N VAL A 20 16.617 -21.182 18.740 1.00 62.44 N ATOM 310 CA VAL A 20 15.507 -20.252 18.560 1.00 2.05 C ATOM 311 C VAL A 20 15.205 -20.019 17.084 1.00 1.51 C ATOM 312 O VAL A 20 16.044 -20.274 16.218 1.00 15.42 O ATOM 313 CB VAL A 20 15.753 -18.923 19.311 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.791 -19.186 20.822 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.085 -18.297 18.883 1.00 52.53 C ATOM 0 H VAL A 20 17.383 -21.071 18.075 1.00 62.44 H new ATOM 0 HA VAL A 20 14.622 -20.712 19.000 1.00 2.05 H new ATOM 0 HB VAL A 20 14.942 -18.236 19.068 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.964 -18.248 21.350 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.840 -19.612 21.141 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.596 -19.885 21.050 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.238 -17.363 19.423 1.00 52.53 H new ATOM 0 HG22 VAL A 20 17.900 -18.985 19.109 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.066 -18.097 17.812 1.00 52.53 H new ATOM 325 N THR A 21 14.020 -19.516 16.807 1.00 63.53 N ATOM 326 CA THR A 21 13.615 -19.202 15.451 1.00 44.25 C ATOM 327 C THR A 21 13.286 -17.727 15.355 1.00 12.41 C ATOM 328 O THR A 21 12.625 -17.173 16.237 1.00 11.33 O ATOM 329 CB THR A 21 12.396 -20.046 15.046 1.00 65.22 C ATOM 330 OG1 THR A 21 12.714 -21.429 15.196 1.00 25.54 O ATOM 331 CG2 THR A 21 12.023 -19.766 13.582 1.00 10.42 C ATOM 0 H THR A 21 13.312 -19.313 17.513 1.00 63.53 H new ATOM 0 HA THR A 21 14.433 -19.435 14.770 1.00 44.25 H new ATOM 0 HB THR A 21 11.551 -19.786 15.684 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.939 -21.972 14.941 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.158 -20.369 13.305 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.782 -18.710 13.464 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.864 -20.020 12.937 1.00 10.42 H new ATOM 339 N ILE A 22 13.767 -17.082 14.309 1.00 41.12 N ATOM 340 CA ILE A 22 13.478 -15.680 14.115 1.00 63.41 C ATOM 341 C ILE A 22 12.908 -15.455 12.729 1.00 15.43 C ATOM 342 O ILE A 22 13.246 -16.180 11.775 1.00 50.41 O ATOM 343 CB ILE A 22 14.737 -14.828 14.334 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.809 -15.210 13.316 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.281 -15.053 15.750 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.001 -14.262 13.445 1.00 75.44 C ATOM 0 H ILE A 22 14.353 -17.504 13.589 1.00 41.12 H new ATOM 0 HA ILE A 22 12.735 -15.372 14.851 1.00 63.41 H new ATOM 0 HB ILE A 22 14.475 -13.777 14.208 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.130 -16.239 13.480 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.400 -15.161 12.307 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.174 -14.445 15.898 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.524 -14.768 16.480 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.533 -16.105 15.880 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.765 -14.537 12.717 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.674 -13.239 13.259 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.415 -14.333 14.451 1.00 75.44 H new ATOM 358 N TRP A 23 12.073 -14.442 12.610 1.00 51.20 N ATOM 359 CA TRP A 23 11.469 -14.081 11.342 1.00 45.54 C ATOM 360 C TRP A 23 12.011 -12.740 10.904 1.00 3.15 C ATOM 361 O TRP A 23 11.901 -11.755 11.638 1.00 71.12 O ATOM 362 CB TRP A 23 9.936 -13.999 11.490 1.00 14.21 C ATOM 363 CG TRP A 23 9.379 -15.357 11.793 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.690 -16.125 10.921 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.448 -16.118 13.034 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.345 -17.308 11.545 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.784 -17.349 12.846 1.00 64.15 C ATOM 368 CE3 TRP A 23 10.015 -15.860 14.294 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.688 -18.294 13.865 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.920 -16.807 15.326 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.257 -18.023 15.109 1.00 12.23 C ATOM 0 H TRP A 23 11.794 -13.846 13.389 1.00 51.20 H new ATOM 0 HA TRP A 23 11.709 -14.839 10.596 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.676 -13.303 12.288 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.494 -13.611 10.572 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.448 -15.858 9.903 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.826 -18.061 11.094 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.528 -14.926 14.470 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.177 -19.230 13.693 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.359 -16.598 16.290 1.00 74.51 H new ATOM 0 HH2 TRP A 23 9.187 -18.750 15.905 1.00 12.23 H new ATOM 382 N LEU A 24 12.580 -12.692 9.717 1.00 44.10 N ATOM 383 CA LEU A 24 13.121 -11.451 9.188 1.00 40.20 C ATOM 384 C LEU A 24 12.293 -10.997 8.015 1.00 52.40 C ATOM 385 O LEU A 24 11.863 -11.820 7.198 1.00 21.24 O ATOM 386 CB LEU A 24 14.583 -11.637 8.761 1.00 70.54 C ATOM 387 CG LEU A 24 15.421 -12.090 9.971 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.866 -12.329 9.541 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.397 -11.015 11.064 1.00 21.54 C ATOM 0 H LEU A 24 12.681 -13.496 9.098 1.00 44.10 H new ATOM 0 HA LEU A 24 13.086 -10.692 9.969 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.648 -12.377 7.963 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.978 -10.703 8.362 1.00 70.54 H new ATOM 0 HG LEU A 24 14.995 -13.014 10.362 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.453 -12.649 10.402 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.894 -13.103 8.774 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.284 -11.406 9.140 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.993 -11.347 11.914 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.812 -10.087 10.671 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.369 -10.846 11.385 1.00 21.54 H new ATOM 401 N THR A 25 12.003 -9.712 7.961 1.00 32.11 N ATOM 402 CA THR A 25 11.195 -9.176 6.884 1.00 20.03 C ATOM 403 C THR A 25 12.046 -8.255 6.014 1.00 15.11 C ATOM 404 O THR A 25 12.567 -7.238 6.489 1.00 30.42 O ATOM 405 CB THR A 25 9.999 -8.423 7.471 1.00 11.33 C ATOM 406 OG1 THR A 25 9.539 -9.132 8.624 1.00 74.12 O ATOM 407 CG2 THR A 25 8.866 -8.376 6.446 1.00 51.01 C ATOM 0 H THR A 25 12.313 -9.023 8.646 1.00 32.11 H new ATOM 0 HA THR A 25 10.821 -9.988 6.261 1.00 20.03 H new ATOM 0 HB THR A 25 10.297 -7.408 7.734 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.773 -8.661 9.014 1.00 74.12 H new ATOM 0 HG21 THR A 25 8.016 -7.839 6.867 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.209 -7.864 5.547 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.563 -9.392 6.191 1.00 51.01 H new ATOM 415 N VAL A 26 12.258 -8.665 4.784 1.00 24.42 N ATOM 416 CA VAL A 26 13.131 -7.953 3.864 1.00 0.53 C ATOM 417 C VAL A 26 12.700 -8.232 2.439 1.00 14.44 C ATOM 418 O VAL A 26 11.840 -9.065 2.214 1.00 61.52 O ATOM 419 CB VAL A 26 14.586 -8.418 4.056 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.152 -7.842 5.354 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.632 -9.950 4.125 1.00 64.00 C ATOM 0 H VAL A 26 11.832 -9.503 4.388 1.00 24.42 H new ATOM 0 HA VAL A 26 13.065 -6.884 4.065 1.00 0.53 H new ATOM 0 HB VAL A 26 15.183 -8.068 3.214 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.182 -8.176 5.482 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.127 -6.753 5.310 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.552 -8.185 6.197 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.663 -10.277 4.261 1.00 64.00 H new ATOM 0 HG22 VAL A 26 14.028 -10.295 4.964 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.238 -10.368 3.199 1.00 64.00 H new ATOM 431 N ARG A 27 13.413 -7.668 1.487 1.00 33.21 N ATOM 432 CA ARG A 27 13.214 -8.004 0.093 1.00 4.21 C ATOM 433 C ARG A 27 14.243 -9.051 -0.304 1.00 3.32 C ATOM 434 O ARG A 27 15.364 -9.030 0.199 1.00 72.11 O ATOM 435 CB ARG A 27 13.327 -6.748 -0.803 1.00 30.33 C ATOM 436 CG ARG A 27 14.684 -6.039 -0.597 1.00 13.41 C ATOM 437 CD ARG A 27 14.647 -5.109 0.633 1.00 0.42 C ATOM 438 NE ARG A 27 13.313 -4.556 0.857 1.00 5.44 N ATOM 439 CZ ARG A 27 12.922 -3.388 0.341 1.00 52.45 C ATOM 440 NH1 ARG A 27 13.720 -2.715 -0.439 1.00 55.30 N ATOM 441 NH2 ARG A 27 11.738 -2.926 0.619 1.00 23.52 N ATOM 0 H ARG A 27 14.139 -6.971 1.654 1.00 33.21 H new ATOM 0 HA ARG A 27 12.210 -8.406 -0.046 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.217 -7.033 -1.849 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.514 -6.059 -0.573 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.470 -6.783 -0.470 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.933 -5.460 -1.486 1.00 13.41 H new ATOM 0 HD2 ARG A 27 14.964 -5.663 1.517 1.00 0.42 H new ATOM 0 HD3 ARG A 27 15.359 -4.295 0.495 1.00 0.42 H new ATOM 0 HE ARG A 27 12.654 -5.083 1.430 1.00 5.44 H new ATOM 0 HH11 ARG A 27 14.647 -3.080 -0.657 1.00 55.30 H new ATOM 0 HH12 ARG A 27 13.418 -1.823 -0.831 1.00 55.30 H new ATOM 0 HH21 ARG A 27 11.114 -3.455 1.228 1.00 23.52 H new ATOM 0 HH22 ARG A 27 11.434 -2.034 0.228 1.00 23.52 H new ATOM 455 N PRO A 28 13.916 -9.955 -1.182 1.00 70.42 N ATOM 456 CA PRO A 28 14.869 -11.032 -1.585 1.00 2.44 C ATOM 457 C PRO A 28 16.104 -10.427 -2.238 1.00 10.52 C ATOM 458 O PRO A 28 17.188 -11.031 -2.259 1.00 73.22 O ATOM 459 CB PRO A 28 14.063 -11.896 -2.562 1.00 63.31 C ATOM 460 CG PRO A 28 12.953 -11.015 -3.046 1.00 53.01 C ATOM 461 CD PRO A 28 12.627 -10.064 -1.887 1.00 50.41 C ATOM 0 HA PRO A 28 15.241 -11.618 -0.744 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.684 -12.237 -3.390 1.00 63.31 H new ATOM 0 HB3 PRO A 28 13.672 -12.786 -2.069 1.00 63.31 H new ATOM 0 HG2 PRO A 28 13.256 -10.459 -3.933 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.080 -11.605 -3.323 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.278 -9.095 -2.245 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.846 -10.466 -1.242 1.00 50.41 H new ATOM 469 N ASP A 29 15.938 -9.202 -2.705 1.00 21.24 N ATOM 470 CA ASP A 29 17.023 -8.427 -3.273 1.00 42.34 C ATOM 471 C ASP A 29 18.034 -8.013 -2.207 1.00 22.22 C ATOM 472 O ASP A 29 19.179 -7.693 -2.521 1.00 73.13 O ATOM 473 CB ASP A 29 16.495 -7.196 -3.999 1.00 0.01 C ATOM 474 CG ASP A 29 17.596 -6.603 -4.835 1.00 62.22 C ATOM 475 OD1 ASP A 29 18.085 -7.291 -5.706 1.00 43.24 O ATOM 476 OD2 ASP A 29 17.949 -5.471 -4.605 1.00 21.43 O ATOM 0 H ASP A 29 15.041 -8.716 -2.700 1.00 21.24 H new ATOM 0 HA ASP A 29 17.532 -9.067 -3.994 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.649 -7.467 -4.630 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.134 -6.462 -3.279 1.00 0.01 H new ATOM 481 N MET A 30 17.587 -7.953 -0.952 1.00 31.25 N ATOM 482 CA MET A 30 18.467 -7.541 0.146 1.00 25.12 C ATOM 483 C MET A 30 19.682 -8.461 0.217 1.00 64.13 C ATOM 484 O MET A 30 19.725 -9.496 -0.464 1.00 62.13 O ATOM 485 CB MET A 30 17.717 -7.537 1.492 1.00 2.42 C ATOM 486 CG MET A 30 17.726 -6.129 2.099 1.00 11.34 C ATOM 487 SD MET A 30 19.269 -5.886 3.009 1.00 52.43 S ATOM 488 CE MET A 30 18.866 -6.947 4.423 1.00 61.23 C ATOM 0 H MET A 30 16.633 -8.181 -0.671 1.00 31.25 H new ATOM 0 HA MET A 30 18.803 -6.523 -0.052 1.00 25.12 H new ATOM 0 HB2 MET A 30 16.690 -7.871 1.345 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.186 -8.241 2.180 1.00 2.42 H new ATOM 0 HG2 MET A 30 17.631 -5.380 1.313 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.873 -6.001 2.765 1.00 11.34 H new ATOM 0 HE1 MET A 30 19.249 -6.495 5.338 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.784 -7.057 4.498 1.00 61.23 H new ATOM 0 HE3 MET A 30 19.322 -7.927 4.284 1.00 61.23 H new ATOM 498 N THR A 31 20.678 -8.073 1.005 1.00 12.23 N ATOM 499 CA THR A 31 21.905 -8.845 1.091 1.00 31.41 C ATOM 500 C THR A 31 22.057 -9.529 2.445 1.00 44.04 C ATOM 501 O THR A 31 21.503 -9.077 3.456 1.00 12.01 O ATOM 502 CB THR A 31 23.136 -7.969 0.735 1.00 25.42 C ATOM 503 OG1 THR A 31 23.992 -8.683 -0.135 1.00 20.13 O ATOM 504 CG2 THR A 31 23.934 -7.563 1.982 1.00 40.23 C ATOM 0 H THR A 31 20.658 -7.236 1.587 1.00 12.23 H new ATOM 0 HA THR A 31 21.846 -9.643 0.351 1.00 31.41 H new ATOM 0 HB THR A 31 22.763 -7.064 0.256 1.00 25.42 H new ATOM 0 HG1 THR A 31 23.925 -9.642 0.055 1.00 20.13 H new ATOM 0 HG21 THR A 31 24.786 -6.951 1.686 1.00 40.23 H new ATOM 0 HG22 THR A 31 23.293 -6.992 2.654 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.290 -8.457 2.493 1.00 40.23 H new ATOM 512 N VAL A 32 22.820 -10.611 2.455 1.00 60.15 N ATOM 513 CA VAL A 32 23.050 -11.380 3.661 1.00 10.31 C ATOM 514 C VAL A 32 23.728 -10.524 4.723 1.00 54.12 C ATOM 515 O VAL A 32 23.302 -10.511 5.868 1.00 54.33 O ATOM 516 CB VAL A 32 23.899 -12.623 3.340 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.295 -13.347 4.631 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.096 -13.575 2.448 1.00 24.05 C ATOM 0 H VAL A 32 23.294 -10.977 1.629 1.00 60.15 H new ATOM 0 HA VAL A 32 22.088 -11.707 4.056 1.00 10.31 H new ATOM 0 HB VAL A 32 24.804 -12.306 2.821 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.895 -14.224 4.387 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.876 -12.674 5.262 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.397 -13.659 5.163 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.698 -14.455 2.221 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.188 -13.881 2.967 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.831 -13.068 1.520 1.00 24.05 H new ATOM 528 N ALA A 33 24.755 -9.786 4.339 1.00 53.45 N ATOM 529 CA ALA A 33 25.449 -8.921 5.292 1.00 55.04 C ATOM 530 C ALA A 33 24.454 -8.003 5.975 1.00 52.23 C ATOM 531 O ALA A 33 24.354 -7.975 7.205 1.00 54.14 O ATOM 532 CB ALA A 33 26.518 -8.078 4.578 1.00 50.32 C ATOM 0 H ALA A 33 25.127 -9.764 3.389 1.00 53.45 H new ATOM 0 HA ALA A 33 25.936 -9.550 6.037 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.023 -7.441 5.304 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.246 -8.738 4.105 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.044 -7.457 3.818 1.00 50.32 H new ATOM 538 N SER A 34 23.649 -7.333 5.175 1.00 20.42 N ATOM 539 CA SER A 34 22.617 -6.474 5.709 1.00 42.23 C ATOM 540 C SER A 34 21.632 -7.287 6.542 1.00 51.41 C ATOM 541 O SER A 34 21.275 -6.895 7.649 1.00 74.05 O ATOM 542 CB SER A 34 21.898 -5.741 4.573 1.00 22.13 C ATOM 543 OG SER A 34 22.848 -4.970 3.818 1.00 22.31 O ATOM 0 H SER A 34 23.691 -7.368 4.156 1.00 20.42 H new ATOM 0 HA SER A 34 23.078 -5.729 6.358 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.398 -6.459 3.923 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.126 -5.088 4.980 1.00 22.13 H new ATOM 0 HG SER A 34 22.386 -4.503 3.091 1.00 22.31 H new ATOM 549 N LEU A 35 21.241 -8.446 6.024 1.00 42.51 N ATOM 550 CA LEU A 35 20.326 -9.341 6.734 1.00 60.21 C ATOM 551 C LEU A 35 20.969 -9.823 8.036 1.00 12.50 C ATOM 552 O LEU A 35 20.353 -9.784 9.101 1.00 51.11 O ATOM 553 CB LEU A 35 19.974 -10.539 5.835 1.00 20.44 C ATOM 554 CG LEU A 35 18.980 -11.479 6.537 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.695 -10.724 6.882 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.628 -12.643 5.608 1.00 72.44 C ATOM 0 H LEU A 35 21.543 -8.791 5.113 1.00 42.51 H new ATOM 0 HA LEU A 35 19.411 -8.801 6.979 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.544 -10.182 4.899 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.881 -11.087 5.581 1.00 20.44 H new ATOM 0 HG LEU A 35 19.442 -11.854 7.450 1.00 63.51 H new ATOM 0 HD11 LEU A 35 16.998 -11.399 7.379 1.00 4.13 H new ATOM 0 HD12 LEU A 35 17.929 -9.892 7.546 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.241 -10.342 5.968 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.923 -13.307 6.108 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.176 -12.256 4.695 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.534 -13.196 5.358 1.00 72.44 H new ATOM 568 N LYS A 36 22.236 -10.196 7.944 1.00 34.21 N ATOM 569 CA LYS A 36 23.023 -10.632 9.080 1.00 44.21 C ATOM 570 C LYS A 36 23.072 -9.504 10.095 1.00 31.00 C ATOM 571 O LYS A 36 22.868 -9.706 11.299 1.00 33.33 O ATOM 572 CB LYS A 36 24.446 -10.926 8.576 1.00 43.15 C ATOM 573 CG LYS A 36 25.328 -11.510 9.684 1.00 4.03 C ATOM 574 CD LYS A 36 26.756 -11.679 9.145 1.00 65.42 C ATOM 575 CE LYS A 36 26.821 -12.843 8.138 1.00 65.21 C ATOM 576 NZ LYS A 36 28.232 -13.121 7.783 1.00 35.45 N ATOM 0 H LYS A 36 22.751 -10.203 7.064 1.00 34.21 H new ATOM 0 HA LYS A 36 22.591 -11.520 9.542 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.400 -11.625 7.741 1.00 43.15 H new ATOM 0 HB3 LYS A 36 24.896 -10.008 8.198 1.00 43.15 H new ATOM 0 HG2 LYS A 36 25.328 -10.851 10.552 1.00 4.03 H new ATOM 0 HG3 LYS A 36 24.933 -12.471 10.013 1.00 4.03 H new ATOM 0 HD2 LYS A 36 27.081 -10.756 8.664 1.00 65.42 H new ATOM 0 HD3 LYS A 36 27.442 -11.867 9.971 1.00 65.42 H new ATOM 0 HE2 LYS A 36 26.362 -13.734 8.568 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.253 -12.593 7.242 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 28.286 -13.427 6.791 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 28.799 -12.258 7.911 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 28.603 -13.873 8.398 1.00 35.45 H new ATOM 590 N ASP A 37 23.304 -8.310 9.593 1.00 21.40 N ATOM 591 CA ASP A 37 23.377 -7.133 10.428 1.00 31.33 C ATOM 592 C ASP A 37 22.070 -6.898 11.170 1.00 3.04 C ATOM 593 O ASP A 37 22.079 -6.650 12.373 1.00 73.14 O ATOM 594 CB ASP A 37 23.727 -5.909 9.576 1.00 1.34 C ATOM 595 CG ASP A 37 23.737 -4.662 10.425 1.00 74.31 C ATOM 596 OD1 ASP A 37 24.591 -4.550 11.281 1.00 52.50 O ATOM 597 OD2 ASP A 37 22.898 -3.818 10.190 1.00 11.04 O ATOM 0 H ASP A 37 23.447 -8.129 8.599 1.00 21.40 H new ATOM 0 HA ASP A 37 24.159 -7.293 11.170 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.703 -6.048 9.112 1.00 1.34 H new ATOM 0 HB3 ASP A 37 23.003 -5.801 8.769 1.00 1.34 H new ATOM 602 N MET A 38 20.937 -7.056 10.482 1.00 34.44 N ATOM 603 CA MET A 38 19.650 -6.834 11.138 1.00 41.13 C ATOM 604 C MET A 38 19.496 -7.779 12.283 1.00 34.34 C ATOM 605 O MET A 38 19.020 -7.410 13.349 1.00 71.22 O ATOM 606 CB MET A 38 18.499 -7.109 10.202 1.00 41.21 C ATOM 607 CG MET A 38 18.524 -6.176 9.015 1.00 23.15 C ATOM 608 SD MET A 38 16.970 -6.358 8.072 1.00 32.15 S ATOM 609 CE MET A 38 16.642 -8.108 8.443 1.00 74.35 C ATOM 0 H MET A 38 20.884 -7.329 9.501 1.00 34.44 H new ATOM 0 HA MET A 38 19.634 -5.794 11.463 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.547 -8.142 9.857 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.556 -6.995 10.737 1.00 41.21 H new ATOM 0 HG2 MET A 38 18.641 -5.145 9.350 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.379 -6.403 8.377 1.00 23.15 H new ATOM 0 HE1 MET A 38 15.955 -8.515 7.701 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.577 -8.667 8.417 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.196 -8.192 9.434 1.00 74.35 H new ATOM 619 N VAL A 39 19.900 -8.991 12.058 1.00 14.41 N ATOM 620 CA VAL A 39 19.791 -10.007 13.077 1.00 25.32 C ATOM 621 C VAL A 39 20.558 -9.531 14.298 1.00 51.44 C ATOM 622 O VAL A 39 20.056 -9.589 15.420 1.00 21.33 O ATOM 623 CB VAL A 39 20.319 -11.364 12.580 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.346 -12.381 13.730 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.408 -11.893 11.474 1.00 65.31 C ATOM 0 H VAL A 39 20.310 -9.308 11.179 1.00 14.41 H new ATOM 0 HA VAL A 39 18.743 -10.161 13.332 1.00 25.32 H new ATOM 0 HB VAL A 39 21.330 -11.225 12.198 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.722 -13.336 13.363 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.998 -12.016 14.524 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.338 -12.514 14.121 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.783 -12.854 11.123 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.398 -12.018 11.863 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.392 -11.185 10.646 1.00 65.31 H new ATOM 635 N PHE A 40 21.715 -8.943 14.063 1.00 3.12 N ATOM 636 CA PHE A 40 22.446 -8.321 15.140 1.00 33.42 C ATOM 637 C PHE A 40 21.627 -7.200 15.744 1.00 2.10 C ATOM 638 O PHE A 40 21.567 -7.052 16.967 1.00 42.22 O ATOM 639 CB PHE A 40 23.789 -7.778 14.657 1.00 31.43 C ATOM 640 CG PHE A 40 24.467 -7.041 15.794 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.898 -7.738 16.923 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.652 -5.656 15.715 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.518 -7.048 17.972 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.273 -4.969 16.761 1.00 33.14 C ATOM 645 CZ PHE A 40 25.706 -5.663 17.891 1.00 34.32 C ATOM 0 H PHE A 40 22.161 -8.885 13.148 1.00 3.12 H new ATOM 0 HA PHE A 40 22.638 -9.080 15.898 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.421 -8.595 14.309 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.640 -7.107 13.811 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.754 -8.806 16.988 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.314 -5.117 14.843 1.00 43.21 H new ATOM 0 HE1 PHE A 40 25.852 -7.586 18.847 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.418 -3.901 16.695 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.185 -5.133 18.701 1.00 34.32 H new ATOM 655 N LEU A 41 21.043 -6.375 14.892 1.00 22.50 N ATOM 656 CA LEU A 41 20.277 -5.230 15.374 1.00 60.20 C ATOM 657 C LEU A 41 19.116 -5.737 16.185 1.00 62.30 C ATOM 658 O LEU A 41 18.744 -5.159 17.208 1.00 2.04 O ATOM 659 CB LEU A 41 19.654 -4.491 14.181 1.00 64.43 C ATOM 660 CG LEU A 41 20.727 -3.991 13.230 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.071 -3.329 12.024 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.643 -3.007 13.925 1.00 2.24 C ATOM 0 H LEU A 41 21.081 -6.470 13.877 1.00 22.50 H new ATOM 0 HA LEU A 41 20.938 -4.582 15.949 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.975 -5.158 13.650 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.060 -3.650 14.539 1.00 64.43 H new ATOM 0 HG LEU A 41 21.325 -4.840 12.899 1.00 14.35 H new ATOM 0 HD11 LEU A 41 20.842 -2.970 11.342 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.440 -4.054 11.510 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.462 -2.489 12.357 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.404 -2.662 13.225 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.061 -2.155 14.278 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.124 -3.494 14.773 1.00 2.24 H new ATOM 674 N ASP A 42 18.466 -6.736 15.628 1.00 3.40 N ATOM 675 CA ASP A 42 17.220 -7.253 16.170 1.00 20.53 C ATOM 676 C ASP A 42 17.449 -8.220 17.324 1.00 55.41 C ATOM 677 O ASP A 42 16.772 -8.138 18.351 1.00 3.34 O ATOM 678 CB ASP A 42 16.399 -7.923 15.042 1.00 22.22 C ATOM 679 CG ASP A 42 14.937 -8.147 15.441 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.513 -7.614 16.445 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.248 -8.841 14.717 1.00 72.43 O ATOM 0 H ASP A 42 18.784 -7.216 14.786 1.00 3.40 H new ATOM 0 HA ASP A 42 16.657 -6.412 16.576 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.438 -7.300 14.148 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.853 -8.880 14.784 1.00 22.22 H new ATOM 686 N TYR A 43 18.350 -9.176 17.136 1.00 32.23 N ATOM 687 CA TYR A 43 18.541 -10.232 18.137 1.00 3.43 C ATOM 688 C TYR A 43 19.878 -10.126 18.855 1.00 54.44 C ATOM 689 O TYR A 43 20.143 -10.880 19.791 1.00 52.22 O ATOM 690 CB TYR A 43 18.406 -11.601 17.467 1.00 12.45 C ATOM 691 CG TYR A 43 17.092 -11.624 16.728 1.00 32.24 C ATOM 692 CD1 TYR A 43 15.896 -11.865 17.414 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.068 -11.370 15.359 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.679 -11.856 16.725 1.00 60.33 C ATOM 695 CE2 TYR A 43 15.861 -11.354 14.673 1.00 50.22 C ATOM 696 CZ TYR A 43 14.664 -11.593 15.353 1.00 33.42 C ATOM 697 OH TYR A 43 13.469 -11.556 14.668 1.00 11.32 O ATOM 0 H TYR A 43 18.953 -9.247 16.317 1.00 32.23 H new ATOM 0 HA TYR A 43 17.768 -10.109 18.895 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.234 -11.773 16.780 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.439 -12.396 18.212 1.00 12.45 H new ATOM 0 HD1 TYR A 43 15.913 -12.058 18.476 1.00 32.13 H new ATOM 0 HD2 TYR A 43 17.991 -11.185 14.829 1.00 13.44 H new ATOM 0 HE1 TYR A 43 13.756 -12.051 17.251 1.00 60.33 H new ATOM 0 HE2 TYR A 43 15.847 -11.156 13.611 1.00 50.22 H new ATOM 0 HH TYR A 43 13.272 -10.633 14.404 1.00 11.32 H new ATOM 707 N GLY A 44 20.707 -9.182 18.452 1.00 13.32 N ATOM 708 CA GLY A 44 21.985 -8.977 19.114 1.00 51.52 C ATOM 709 C GLY A 44 22.977 -10.062 18.751 1.00 41.34 C ATOM 710 O GLY A 44 23.978 -10.241 19.435 1.00 41.15 O ATOM 0 H GLY A 44 20.522 -8.548 17.675 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.389 -8.004 18.834 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.839 -8.963 20.194 1.00 51.52 H new ATOM 714 N PHE A 45 22.714 -10.771 17.663 1.00 73.22 N ATOM 715 CA PHE A 45 23.620 -11.823 17.213 1.00 0.40 C ATOM 716 C PHE A 45 24.765 -11.213 16.417 1.00 12.32 C ATOM 717 O PHE A 45 24.550 -10.731 15.306 1.00 44.25 O ATOM 718 CB PHE A 45 22.879 -12.841 16.329 1.00 13.01 C ATOM 719 CG PHE A 45 21.715 -13.494 17.067 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.467 -13.220 18.427 1.00 31.22 C ATOM 721 CD2 PHE A 45 20.887 -14.390 16.380 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.395 -13.835 19.077 1.00 2.11 C ATOM 723 CE2 PHE A 45 19.816 -15.002 17.034 1.00 74.25 C ATOM 724 CZ PHE A 45 19.571 -14.727 18.383 1.00 11.12 C ATOM 0 H PHE A 45 21.889 -10.641 17.078 1.00 73.22 H new ATOM 0 HA PHE A 45 24.010 -12.335 18.092 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.507 -12.342 15.434 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.577 -13.610 15.998 1.00 13.01 H new ATOM 0 HD1 PHE A 45 22.105 -12.535 18.966 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.078 -14.609 15.340 1.00 43.54 H new ATOM 0 HE1 PHE A 45 20.202 -13.621 20.118 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.177 -15.688 16.498 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.745 -15.204 18.889 1.00 11.12 H new ATOM 734 N PRO A 46 25.965 -11.190 16.953 1.00 33.44 N ATOM 735 CA PRO A 46 27.133 -10.598 16.240 1.00 1.25 C ATOM 736 C PRO A 46 27.553 -11.465 15.058 1.00 72.23 C ATOM 737 O PRO A 46 27.228 -12.660 15.004 1.00 63.41 O ATOM 738 CB PRO A 46 28.231 -10.569 17.305 1.00 45.41 C ATOM 739 CG PRO A 46 27.875 -11.676 18.240 1.00 3.22 C ATOM 740 CD PRO A 46 26.343 -11.721 18.279 1.00 61.54 C ATOM 0 HA PRO A 46 26.915 -9.614 15.825 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.216 -10.723 16.864 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.259 -9.609 17.820 1.00 45.41 H new ATOM 0 HG2 PRO A 46 28.284 -12.625 17.894 1.00 3.22 H new ATOM 0 HG3 PRO A 46 28.285 -11.495 19.233 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.972 -12.735 18.429 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.941 -11.111 19.088 1.00 61.54 H new ATOM 748 N PRO A 47 28.292 -10.909 14.135 1.00 24.43 N ATOM 749 CA PRO A 47 28.753 -11.650 12.931 1.00 3.35 C ATOM 750 C PRO A 47 29.558 -12.885 13.284 1.00 32.23 C ATOM 751 O PRO A 47 29.454 -13.905 12.606 1.00 60.40 O ATOM 752 CB PRO A 47 29.616 -10.630 12.179 1.00 22.12 C ATOM 753 CG PRO A 47 29.969 -9.592 13.194 1.00 61.03 C ATOM 754 CD PRO A 47 28.769 -9.516 14.130 1.00 72.21 C ATOM 0 HA PRO A 47 27.916 -12.023 12.341 1.00 3.35 H new ATOM 0 HB2 PRO A 47 30.510 -11.098 11.767 1.00 22.12 H new ATOM 0 HB3 PRO A 47 29.071 -10.193 11.342 1.00 22.12 H new ATOM 0 HG2 PRO A 47 30.874 -9.865 13.737 1.00 61.03 H new ATOM 0 HG3 PRO A 47 30.160 -8.629 12.721 1.00 61.03 H new ATOM 0 HD2 PRO A 47 29.051 -9.178 15.127 1.00 72.21 H new ATOM 0 HD3 PRO A 47 28.009 -8.826 13.763 1.00 72.21 H new ATOM 762 N VAL A 48 30.309 -12.813 14.369 1.00 2.22 N ATOM 763 CA VAL A 48 31.063 -13.967 14.819 1.00 3.34 C ATOM 764 C VAL A 48 30.102 -15.090 15.186 1.00 13.44 C ATOM 765 O VAL A 48 30.266 -16.233 14.764 1.00 24.32 O ATOM 766 CB VAL A 48 31.956 -13.600 16.022 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.101 -13.084 17.190 1.00 44.54 C ATOM 768 CG2 VAL A 48 32.751 -14.835 16.474 1.00 41.53 C ATOM 0 H VAL A 48 30.412 -11.979 14.947 1.00 2.22 H new ATOM 0 HA VAL A 48 31.713 -14.304 14.012 1.00 3.34 H new ATOM 0 HB VAL A 48 32.645 -12.813 15.716 1.00 51.11 H new ATOM 0 HG11 VAL A 48 31.748 -12.830 18.030 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.551 -12.197 16.874 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.397 -13.858 17.495 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.381 -14.571 17.324 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.060 -15.626 16.766 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.377 -15.185 15.653 1.00 41.53 H new ATOM 778 N LEU A 49 29.065 -14.728 15.927 1.00 54.44 N ATOM 779 CA LEU A 49 28.043 -15.675 16.330 1.00 52.43 C ATOM 780 C LEU A 49 27.161 -16.095 15.183 1.00 2.01 C ATOM 781 O LEU A 49 26.720 -17.230 15.133 1.00 62.52 O ATOM 782 CB LEU A 49 27.204 -15.147 17.497 1.00 62.41 C ATOM 783 CG LEU A 49 28.067 -15.110 18.765 1.00 55.31 C ATOM 784 CD1 LEU A 49 27.312 -14.429 19.908 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.388 -16.541 19.172 1.00 21.42 C ATOM 0 H LEU A 49 28.911 -13.777 16.262 1.00 54.44 H new ATOM 0 HA LEU A 49 28.573 -16.564 16.672 1.00 52.43 H new ATOM 0 HB2 LEU A 49 26.830 -14.149 17.269 1.00 62.41 H new ATOM 0 HB3 LEU A 49 26.335 -15.786 17.653 1.00 62.41 H new ATOM 0 HG LEU A 49 28.979 -14.549 18.562 1.00 55.31 H new ATOM 0 HD11 LEU A 49 27.939 -14.412 20.799 1.00 45.40 H new ATOM 0 HD12 LEU A 49 27.061 -13.408 19.621 1.00 45.40 H new ATOM 0 HD13 LEU A 49 26.397 -14.982 20.119 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.002 -16.534 20.073 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.461 -17.080 19.368 1.00 21.42 H new ATOM 0 HD23 LEU A 49 28.931 -17.035 18.367 1.00 21.42 H new ATOM 797 N GLN A 50 26.847 -15.168 14.296 1.00 62.55 N ATOM 798 CA GLN A 50 25.935 -15.486 13.212 1.00 24.52 C ATOM 799 C GLN A 50 26.562 -16.396 12.167 1.00 43.40 C ATOM 800 O GLN A 50 26.812 -15.964 11.029 1.00 65.42 O ATOM 801 CB GLN A 50 25.393 -14.235 12.525 1.00 53.50 C ATOM 802 CG GLN A 50 24.417 -13.491 13.429 1.00 42.03 C ATOM 803 CD GLN A 50 23.732 -12.406 12.615 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.218 -12.687 11.524 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.691 -11.196 13.059 1.00 23.53 N ATOM 0 H GLN A 50 27.200 -14.211 14.302 1.00 62.55 H new ATOM 0 HA GLN A 50 25.108 -16.017 13.683 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.219 -13.577 12.257 1.00 53.50 H new ATOM 0 HB3 GLN A 50 24.894 -14.514 11.597 1.00 53.50 H new ATOM 0 HG2 GLN A 50 23.678 -14.181 13.837 1.00 42.03 H new ATOM 0 HG3 GLN A 50 24.945 -13.052 14.276 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.115 -10.968 13.958 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.234 -10.467 12.511 1.00 23.53 H new ATOM 814 N GLN A 51 26.606 -17.683 12.454 1.00 50.00 N ATOM 815 CA GLN A 51 26.975 -18.628 11.428 1.00 5.12 C ATOM 816 C GLN A 51 25.757 -18.910 10.573 1.00 24.14 C ATOM 817 O GLN A 51 24.936 -19.775 10.902 1.00 52.33 O ATOM 818 CB GLN A 51 27.542 -19.931 12.018 1.00 32.34 C ATOM 819 CG GLN A 51 29.073 -19.871 12.028 1.00 40.52 C ATOM 820 CD GLN A 51 29.599 -19.849 10.600 1.00 13.41 C ATOM 821 OE1 GLN A 51 29.255 -20.720 9.796 1.00 2.14 O ATOM 822 NE2 GLN A 51 30.402 -18.906 10.225 1.00 64.45 N ATOM 0 H GLN A 51 26.396 -18.087 13.367 1.00 50.00 H new ATOM 0 HA GLN A 51 27.769 -18.194 10.820 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.168 -20.076 13.031 1.00 32.34 H new ATOM 0 HB3 GLN A 51 27.206 -20.784 11.429 1.00 32.34 H new ATOM 0 HG2 GLN A 51 29.407 -18.981 12.562 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.476 -20.733 12.560 1.00 40.52 H new ATOM 0 HE21 GLN A 51 30.687 -18.185 10.888 1.00 64.45 H new ATOM 0 HE22 GLN A 51 30.750 -18.883 9.266 1.00 64.45 H new ATOM 831 N TRP A 52 25.619 -18.147 9.499 1.00 42.04 N ATOM 832 CA TRP A 52 24.491 -18.297 8.594 1.00 31.04 C ATOM 833 C TRP A 52 24.732 -19.516 7.741 1.00 72.42 C ATOM 834 O TRP A 52 25.793 -19.626 7.108 1.00 1.43 O ATOM 835 CB TRP A 52 24.390 -17.060 7.678 1.00 75.43 C ATOM 836 CG TRP A 52 23.572 -15.988 8.324 1.00 45.20 C ATOM 837 CD1 TRP A 52 24.026 -15.114 9.250 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.173 -15.650 8.090 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.988 -14.269 9.614 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.827 -14.557 8.919 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.178 -16.183 7.245 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.542 -14.016 8.914 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.884 -15.638 7.240 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.569 -14.555 8.073 1.00 64.43 C ATOM 0 H TRP A 52 26.278 -17.415 9.233 1.00 42.04 H new ATOM 0 HA TRP A 52 23.568 -18.399 9.164 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.388 -16.681 7.460 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.941 -17.342 6.726 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.032 -15.079 9.642 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.071 -13.527 10.309 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.413 -17.015 6.598 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.301 -13.183 9.558 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 19.128 -16.055 6.591 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.573 -14.138 8.063 1.00 64.43 H new ATOM 855 N VAL A 53 23.788 -20.443 7.723 1.00 64.50 N ATOM 856 CA VAL A 53 23.963 -21.646 6.938 1.00 13.22 C ATOM 857 C VAL A 53 22.804 -21.847 5.966 1.00 24.40 C ATOM 858 O VAL A 53 21.656 -22.041 6.370 1.00 52.11 O ATOM 859 CB VAL A 53 24.114 -22.871 7.857 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.433 -24.117 7.022 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.248 -22.630 8.866 1.00 70.32 C ATOM 0 H VAL A 53 22.908 -20.385 8.235 1.00 64.50 H new ATOM 0 HA VAL A 53 24.875 -21.534 6.352 1.00 13.22 H new ATOM 0 HB VAL A 53 23.178 -23.026 8.393 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.538 -24.979 7.681 1.00 70.32 H new ATOM 0 HG12 VAL A 53 23.624 -24.298 6.314 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.364 -23.961 6.477 1.00 70.32 H new ATOM 0 HG21 VAL A 53 25.350 -23.501 9.514 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.183 -22.465 8.330 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.017 -21.753 9.471 1.00 70.32 H new ATOM 871 N ILE A 54 23.154 -21.950 4.703 1.00 31.32 N ATOM 872 CA ILE A 54 22.237 -22.322 3.646 1.00 2.42 C ATOM 873 C ILE A 54 22.970 -23.209 2.649 1.00 55.44 C ATOM 874 O ILE A 54 24.203 -23.229 2.627 1.00 64.42 O ATOM 875 CB ILE A 54 21.605 -21.081 2.976 1.00 61.22 C ATOM 876 CG1 ILE A 54 22.691 -20.149 2.448 1.00 70.55 C ATOM 877 CG2 ILE A 54 20.714 -20.316 3.963 1.00 73.52 C ATOM 878 CD1 ILE A 54 22.038 -18.967 1.745 1.00 33.44 C ATOM 0 H ILE A 54 24.103 -21.774 4.374 1.00 31.32 H new ATOM 0 HA ILE A 54 21.405 -22.885 4.069 1.00 2.42 H new ATOM 0 HB ILE A 54 20.991 -21.430 2.145 1.00 61.22 H new ATOM 0 HG12 ILE A 54 23.317 -19.799 3.269 1.00 70.55 H new ATOM 0 HG13 ILE A 54 23.342 -20.684 1.757 1.00 70.55 H new ATOM 0 HG21 ILE A 54 20.282 -19.448 3.466 1.00 73.52 H new ATOM 0 HG22 ILE A 54 19.914 -20.969 4.313 1.00 73.52 H new ATOM 0 HG23 ILE A 54 21.312 -19.987 4.813 1.00 73.52 H new ATOM 0 HD11 ILE A 54 22.810 -18.298 1.366 1.00 33.44 H new ATOM 0 HD12 ILE A 54 21.430 -19.328 0.915 1.00 33.44 H new ATOM 0 HD13 ILE A 54 21.405 -18.428 2.450 1.00 33.44 H new ATOM 890 N GLY A 55 22.244 -23.984 1.887 1.00 44.24 N ATOM 891 CA GLY A 55 22.864 -24.929 0.967 1.00 72.21 C ATOM 892 C GLY A 55 23.703 -24.230 -0.098 1.00 2.10 C ATOM 893 O GLY A 55 24.656 -24.803 -0.622 1.00 62.13 O ATOM 0 H GLY A 55 21.224 -23.987 1.878 1.00 44.24 H new ATOM 0 HA2 GLY A 55 23.494 -25.620 1.528 1.00 72.21 H new ATOM 0 HA3 GLY A 55 22.089 -25.525 0.484 1.00 72.21 H new ATOM 897 N GLN A 56 23.268 -23.053 -0.506 1.00 71.41 N ATOM 898 CA GLN A 56 23.872 -22.355 -1.639 1.00 61.53 C ATOM 899 C GLN A 56 24.776 -21.188 -1.233 1.00 71.41 C ATOM 900 O GLN A 56 24.898 -20.212 -1.977 1.00 14.44 O ATOM 901 CB GLN A 56 22.782 -21.869 -2.587 1.00 1.42 C ATOM 902 CG GLN A 56 21.712 -21.109 -1.812 1.00 54.32 C ATOM 903 CD GLN A 56 20.669 -22.067 -1.251 1.00 14.01 C ATOM 904 OE1 GLN A 56 20.317 -21.967 -0.076 1.00 34.33 O ATOM 905 NE2 GLN A 56 20.157 -22.982 -2.006 1.00 5.11 N ATOM 0 H GLN A 56 22.493 -22.552 -0.070 1.00 71.41 H new ATOM 0 HA GLN A 56 24.516 -23.078 -2.140 1.00 61.53 H new ATOM 0 HB2 GLN A 56 23.215 -21.224 -3.351 1.00 1.42 H new ATOM 0 HB3 GLN A 56 22.334 -22.718 -3.103 1.00 1.42 H new ATOM 0 HG2 GLN A 56 22.174 -20.550 -0.998 1.00 54.32 H new ATOM 0 HG3 GLN A 56 21.230 -20.382 -2.466 1.00 54.32 H new ATOM 0 HE21 GLN A 56 20.450 -23.063 -2.980 1.00 5.11 H new ATOM 0 HE22 GLN A 56 19.459 -23.623 -1.628 1.00 5.11 H new ATOM 914 N ARG A 57 25.356 -21.244 -0.043 1.00 54.23 N ATOM 915 CA ARG A 57 26.182 -20.116 0.428 1.00 14.45 C ATOM 916 C ARG A 57 27.359 -19.845 -0.494 1.00 42.21 C ATOM 917 O ARG A 57 28.085 -20.765 -0.879 1.00 54.43 O ATOM 918 CB ARG A 57 26.740 -20.336 1.847 1.00 41.54 C ATOM 919 CG ARG A 57 25.627 -20.303 2.883 1.00 32.25 C ATOM 920 CD ARG A 57 26.242 -20.408 4.283 1.00 32.13 C ATOM 921 NE ARG A 57 26.924 -21.692 4.451 1.00 22.13 N ATOM 922 CZ ARG A 57 27.580 -22.013 5.576 1.00 2.30 C ATOM 923 NH1 ARG A 57 27.509 -21.238 6.629 1.00 74.12 N ATOM 924 NH2 ARG A 57 28.264 -23.120 5.628 1.00 71.11 N ATOM 0 H ARG A 57 25.281 -22.028 0.605 1.00 54.23 H new ATOM 0 HA ARG A 57 25.506 -19.261 0.434 1.00 14.45 H new ATOM 0 HB2 ARG A 57 27.256 -21.295 1.894 1.00 41.54 H new ATOM 0 HB3 ARG A 57 27.477 -19.566 2.075 1.00 41.54 H new ATOM 0 HG2 ARG A 57 25.055 -19.379 2.792 1.00 32.25 H new ATOM 0 HG3 ARG A 57 24.932 -21.126 2.715 1.00 32.25 H new ATOM 0 HD2 ARG A 57 26.948 -19.592 4.438 1.00 32.13 H new ATOM 0 HD3 ARG A 57 25.462 -20.303 5.037 1.00 32.13 H new ATOM 0 HE ARG A 57 26.900 -22.366 3.686 1.00 22.13 H new ATOM 0 HH11 ARG A 57 26.952 -20.384 6.597 1.00 74.12 H new ATOM 0 HH12 ARG A 57 28.010 -21.488 7.481 1.00 74.12 H new ATOM 0 HH21 ARG A 57 28.299 -23.737 4.816 1.00 71.11 H new ATOM 0 HH22 ARG A 57 28.765 -23.370 6.480 1.00 71.11 H new ATOM 938 N LEU A 58 27.661 -18.570 -0.643 1.00 65.05 N ATOM 939 CA LEU A 58 28.889 -18.112 -1.279 1.00 31.53 C ATOM 940 C LEU A 58 29.672 -17.367 -0.224 1.00 54.55 C ATOM 941 O LEU A 58 29.069 -16.786 0.680 1.00 13.21 O ATOM 942 CB LEU A 58 28.597 -17.156 -2.453 1.00 52.33 C ATOM 943 CG LEU A 58 27.824 -17.856 -3.601 1.00 32.24 C ATOM 944 CD1 LEU A 58 28.233 -19.325 -3.739 1.00 61.12 C ATOM 945 CD2 LEU A 58 26.317 -17.760 -3.353 1.00 55.40 C ATOM 0 H LEU A 58 27.057 -17.812 -0.324 1.00 65.05 H new ATOM 0 HA LEU A 58 29.438 -18.965 -1.678 1.00 31.53 H new ATOM 0 HB2 LEU A 58 28.017 -16.307 -2.092 1.00 52.33 H new ATOM 0 HB3 LEU A 58 29.536 -16.760 -2.839 1.00 52.33 H new ATOM 0 HG LEU A 58 28.075 -17.346 -4.531 1.00 32.24 H new ATOM 0 HD11 LEU A 58 27.672 -19.784 -4.553 1.00 61.12 H new ATOM 0 HD12 LEU A 58 29.300 -19.387 -3.954 1.00 61.12 H new ATOM 0 HD13 LEU A 58 28.019 -19.851 -2.809 1.00 61.12 H new ATOM 0 HD21 LEU A 58 25.783 -18.254 -4.164 1.00 55.40 H new ATOM 0 HD22 LEU A 58 26.072 -18.245 -2.408 1.00 55.40 H new ATOM 0 HD23 LEU A 58 26.021 -16.712 -3.310 1.00 55.40 H new ATOM 957 N ALA A 59 30.991 -17.390 -0.302 1.00 35.55 N ATOM 958 CA ALA A 59 31.823 -16.712 0.702 1.00 42.01 C ATOM 959 C ALA A 59 31.619 -15.199 0.660 1.00 65.22 C ATOM 960 O ALA A 59 32.590 -14.429 0.674 1.00 41.30 O ATOM 961 CB ALA A 59 33.301 -17.039 0.485 1.00 11.31 C ATOM 0 H ALA A 59 31.514 -17.863 -1.039 1.00 35.55 H new ATOM 0 HA ALA A 59 31.516 -17.075 1.683 1.00 42.01 H new ATOM 0 HB1 ALA A 59 33.901 -16.528 1.238 1.00 11.31 H new ATOM 0 HB2 ALA A 59 33.452 -18.115 0.570 1.00 11.31 H new ATOM 0 HB3 ALA A 59 33.605 -16.707 -0.508 1.00 11.31 H new ATOM 967 N ARG A 60 30.371 -14.777 0.572 1.00 75.14 N ATOM 968 CA ARG A 60 30.054 -13.370 0.495 1.00 23.34 C ATOM 969 C ARG A 60 28.773 -13.061 1.249 1.00 54.11 C ATOM 970 O ARG A 60 27.689 -13.513 0.862 1.00 12.14 O ATOM 971 CB ARG A 60 29.907 -12.942 -0.974 1.00 30.40 C ATOM 972 CG ARG A 60 30.466 -11.526 -1.163 1.00 11.11 C ATOM 973 CD ARG A 60 31.789 -11.628 -1.911 1.00 21.13 C ATOM 974 NE ARG A 60 32.645 -12.605 -1.238 1.00 41.43 N ATOM 975 CZ ARG A 60 33.608 -13.260 -1.871 1.00 20.23 C ATOM 976 NH1 ARG A 60 33.850 -13.013 -3.127 1.00 64.24 N ATOM 977 NH2 ARG A 60 34.314 -14.139 -1.227 1.00 14.15 N ATOM 0 H ARG A 60 29.560 -15.395 0.552 1.00 75.14 H new ATOM 0 HA ARG A 60 30.870 -12.812 0.955 1.00 23.34 H new ATOM 0 HB2 ARG A 60 30.437 -13.641 -1.620 1.00 30.40 H new ATOM 0 HB3 ARG A 60 28.857 -12.970 -1.267 1.00 30.40 H new ATOM 0 HG2 ARG A 60 29.761 -10.911 -1.722 1.00 11.11 H new ATOM 0 HG3 ARG A 60 30.613 -11.044 -0.196 1.00 11.11 H new ATOM 0 HD2 ARG A 60 31.615 -11.929 -2.944 1.00 21.13 H new ATOM 0 HD3 ARG A 60 32.280 -10.655 -1.941 1.00 21.13 H new ATOM 0 HE ARG A 60 32.495 -12.789 -0.246 1.00 41.43 H new ATOM 0 HH11 ARG A 60 33.298 -12.315 -3.625 1.00 64.24 H new ATOM 0 HH12 ARG A 60 34.591 -13.518 -3.612 1.00 64.24 H new ATOM 0 HH21 ARG A 60 34.126 -14.321 -0.241 1.00 14.15 H new ATOM 0 HH22 ARG A 60 35.057 -14.647 -1.707 1.00 14.15 H new ATOM 991 N ASP A 61 28.877 -12.184 2.227 1.00 5.24 N ATOM 992 CA ASP A 61 27.692 -11.672 2.913 1.00 62.30 C ATOM 993 C ASP A 61 26.951 -10.746 1.963 1.00 23.25 C ATOM 994 O ASP A 61 25.810 -10.349 2.211 1.00 41.02 O ATOM 995 CB ASP A 61 28.088 -10.869 4.153 1.00 4.03 C ATOM 996 CG ASP A 61 28.706 -11.737 5.226 1.00 13.24 C ATOM 997 OD1 ASP A 61 28.384 -12.907 5.298 1.00 33.05 O ATOM 998 OD2 ASP A 61 29.476 -11.216 5.991 1.00 24.14 O ATOM 0 H ASP A 61 29.762 -11.808 2.568 1.00 5.24 H new ATOM 0 HA ASP A 61 27.068 -12.513 3.217 1.00 62.30 H new ATOM 0 HB2 ASP A 61 28.794 -10.089 3.868 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.207 -10.369 4.556 1.00 4.03 H new ATOM 1003 N GLN A 62 27.673 -10.291 0.944 1.00 12.52 N ATOM 1004 CA GLN A 62 27.167 -9.302 0.004 1.00 34.33 C ATOM 1005 C GLN A 62 26.219 -9.933 -1.012 1.00 44.45 C ATOM 1006 O GLN A 62 25.676 -9.240 -1.880 1.00 1.43 O ATOM 1007 CB GLN A 62 28.315 -8.582 -0.717 1.00 0.02 C ATOM 1008 CG GLN A 62 29.512 -8.372 0.230 1.00 25.23 C ATOM 1009 CD GLN A 62 29.097 -7.651 1.505 1.00 11.12 C ATOM 1010 OE1 GLN A 62 29.292 -8.179 2.605 1.00 1.45 O ATOM 1011 NE2 GLN A 62 28.541 -6.480 1.430 1.00 15.21 N ATOM 0 H GLN A 62 28.626 -10.599 0.748 1.00 12.52 H new ATOM 0 HA GLN A 62 26.607 -8.566 0.581 1.00 34.33 H new ATOM 0 HB2 GLN A 62 28.629 -9.165 -1.583 1.00 0.02 H new ATOM 0 HB3 GLN A 62 27.968 -7.619 -1.090 1.00 0.02 H new ATOM 0 HG2 GLN A 62 29.950 -9.337 0.483 1.00 25.23 H new ATOM 0 HG3 GLN A 62 30.284 -7.796 -0.280 1.00 25.23 H new ATOM 0 HE21 GLN A 62 28.382 -6.048 0.520 1.00 15.21 H new ATOM 0 HE22 GLN A 62 28.263 -5.992 2.281 1.00 15.21 H new ATOM 1020 N GLU A 63 25.997 -11.233 -0.883 1.00 4.31 N ATOM 1021 CA GLU A 63 25.047 -11.927 -1.736 1.00 63.23 C ATOM 1022 C GLU A 63 23.635 -11.499 -1.418 1.00 22.23 C ATOM 1023 O GLU A 63 23.347 -11.037 -0.304 1.00 10.12 O ATOM 1024 CB GLU A 63 25.174 -13.445 -1.599 1.00 4.24 C ATOM 1025 CG GLU A 63 26.324 -13.945 -2.470 1.00 13.54 C ATOM 1026 CD GLU A 63 25.983 -13.725 -3.933 1.00 55.25 C ATOM 1027 OE1 GLU A 63 24.905 -14.125 -4.341 1.00 51.42 O ATOM 1028 OE2 GLU A 63 26.791 -13.155 -4.628 1.00 33.23 O ATOM 0 H GLU A 63 26.462 -11.827 -0.196 1.00 4.31 H new ATOM 0 HA GLU A 63 25.278 -11.658 -2.767 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.351 -13.712 -0.557 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.243 -13.926 -1.898 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.243 -13.417 -2.216 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.503 -15.004 -2.282 1.00 13.54 H new ATOM 1035 N THR A 64 22.762 -11.655 -2.384 1.00 35.12 N ATOM 1036 CA THR A 64 21.369 -11.306 -2.221 1.00 71.14 C ATOM 1037 C THR A 64 20.655 -12.369 -1.421 1.00 54.02 C ATOM 1038 O THR A 64 21.037 -13.535 -1.446 1.00 2.04 O ATOM 1039 CB THR A 64 20.702 -11.165 -3.599 1.00 71.33 C ATOM 1040 OG1 THR A 64 21.487 -11.853 -4.588 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.576 -9.688 -3.975 1.00 70.13 C ATOM 0 H THR A 64 22.996 -12.027 -3.305 1.00 35.12 H new ATOM 0 HA THR A 64 21.306 -10.357 -1.688 1.00 71.14 H new ATOM 0 HB THR A 64 19.705 -11.604 -3.558 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.648 -12.774 -4.295 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.102 -9.601 -4.953 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.969 -9.173 -3.230 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.567 -9.236 -4.010 1.00 70.13 H new ATOM 1049 N LEU A 65 19.562 -12.005 -0.806 1.00 11.25 N ATOM 1050 CA LEU A 65 18.766 -12.988 -0.119 1.00 22.02 C ATOM 1051 C LEU A 65 18.247 -13.969 -1.143 1.00 11.33 C ATOM 1052 O LEU A 65 18.321 -15.181 -0.959 1.00 62.22 O ATOM 1053 CB LEU A 65 17.627 -12.325 0.642 1.00 34.52 C ATOM 1054 CG LEU A 65 18.228 -11.403 1.709 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.117 -10.755 2.526 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.176 -12.181 2.623 1.00 30.03 C ATOM 0 H LEU A 65 19.206 -11.050 -0.766 1.00 11.25 H new ATOM 0 HA LEU A 65 19.372 -13.515 0.618 1.00 22.02 H new ATOM 0 HB2 LEU A 65 16.997 -11.755 -0.040 1.00 34.52 H new ATOM 0 HB3 LEU A 65 16.992 -13.079 1.107 1.00 34.52 H new ATOM 0 HG LEU A 65 18.800 -10.621 1.209 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.554 -10.102 3.281 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.475 -10.170 1.868 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.526 -11.529 3.014 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.592 -11.508 3.373 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.628 -12.982 3.118 1.00 30.03 H new ATOM 0 HD23 LEU A 65 19.985 -12.607 2.030 1.00 30.03 H new ATOM 1068 N HIS A 66 17.862 -13.432 -2.292 1.00 73.23 N ATOM 1069 CA HIS A 66 17.470 -14.248 -3.426 1.00 34.14 C ATOM 1070 C HIS A 66 18.577 -15.240 -3.774 1.00 10.32 C ATOM 1071 O HIS A 66 18.305 -16.298 -4.329 1.00 1.13 O ATOM 1072 CB HIS A 66 17.153 -13.375 -4.648 1.00 25.42 C ATOM 1073 CG HIS A 66 16.429 -14.194 -5.687 1.00 52.33 C ATOM 1074 ND1 HIS A 66 16.878 -15.439 -6.085 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.306 -13.942 -6.442 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.046 -15.884 -7.042 1.00 44.55 C ATOM 1077 NE2 HIS A 66 15.071 -15.013 -7.299 1.00 53.54 N ATOM 0 H HIS A 66 17.814 -12.427 -2.461 1.00 73.23 H new ATOM 0 HA HIS A 66 16.570 -14.797 -3.149 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.540 -12.525 -4.350 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.075 -12.972 -5.067 1.00 25.42 H new ATOM 0 HD1 HIS A 66 17.693 -15.931 -5.719 1.00 11.11 H new ATOM 0 HD2 HIS A 66 14.700 -13.050 -6.379 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.155 -16.835 -7.543 1.00 44.55 H new ATOM 1086 N SER A 67 19.821 -14.905 -3.433 1.00 14.51 N ATOM 1087 CA SER A 67 20.945 -15.800 -3.693 1.00 21.22 C ATOM 1088 C SER A 67 20.715 -17.152 -3.019 1.00 5.04 C ATOM 1089 O SER A 67 21.050 -18.197 -3.581 1.00 31.30 O ATOM 1090 CB SER A 67 22.269 -15.183 -3.226 1.00 53.23 C ATOM 1091 OG SER A 67 22.440 -13.884 -3.819 1.00 52.30 O ATOM 0 H SER A 67 20.074 -14.027 -2.980 1.00 14.51 H new ATOM 0 HA SER A 67 21.011 -15.952 -4.770 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.278 -15.100 -2.139 1.00 53.23 H new ATOM 0 HB3 SER A 67 23.100 -15.831 -3.503 1.00 53.23 H new ATOM 0 HG SER A 67 23.229 -13.891 -4.400 1.00 52.30 H new ATOM 1097 N HIS A 68 20.071 -17.126 -1.850 1.00 71.23 N ATOM 1098 CA HIS A 68 19.698 -18.347 -1.150 1.00 44.15 C ATOM 1099 C HIS A 68 18.640 -19.080 -1.957 1.00 51.40 C ATOM 1100 O HIS A 68 18.576 -20.308 -1.953 1.00 71.43 O ATOM 1101 CB HIS A 68 19.197 -18.024 0.286 1.00 24.14 C ATOM 1102 CG HIS A 68 18.258 -19.096 0.805 1.00 33.13 C ATOM 1103 ND1 HIS A 68 18.530 -20.457 0.711 1.00 40.22 N ATOM 1104 CD2 HIS A 68 17.037 -19.005 1.427 1.00 74.41 C ATOM 1105 CE1 HIS A 68 17.487 -21.113 1.264 1.00 31.20 C ATOM 1106 NE2 HIS A 68 16.548 -20.270 1.712 1.00 62.11 N ATOM 0 H HIS A 68 19.798 -16.268 -1.371 1.00 71.23 H new ATOM 0 HA HIS A 68 20.571 -18.992 -1.049 1.00 44.15 H new ATOM 0 HB2 HIS A 68 20.051 -17.931 0.957 1.00 24.14 H new ATOM 0 HB3 HIS A 68 18.686 -17.061 0.286 1.00 24.14 H new ATOM 0 HD1 HIS A 68 19.362 -20.881 0.301 1.00 40.22 H new ATOM 0 HD2 HIS A 68 16.530 -18.080 1.661 1.00 74.41 H new ATOM 0 HE1 HIS A 68 17.419 -22.188 1.336 1.00 31.20 H new ATOM 1115 N GLY A 69 17.846 -18.315 -2.682 1.00 24.31 N ATOM 1116 CA GLY A 69 16.792 -18.865 -3.518 1.00 1.43 C ATOM 1117 C GLY A 69 15.459 -18.269 -3.134 1.00 24.22 C ATOM 1118 O GLY A 69 14.408 -18.729 -3.582 1.00 54.34 O ATOM 0 H GLY A 69 17.912 -17.297 -2.709 1.00 24.31 H new ATOM 0 HA2 GLY A 69 17.003 -18.657 -4.567 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.759 -19.949 -3.409 1.00 1.43 H new ATOM 1122 N VAL A 70 15.500 -17.234 -2.303 1.00 14.11 N ATOM 1123 CA VAL A 70 14.286 -16.594 -1.845 1.00 2.23 C ATOM 1124 C VAL A 70 13.721 -15.696 -2.918 1.00 63.41 C ATOM 1125 O VAL A 70 14.294 -14.655 -3.226 1.00 21.42 O ATOM 1126 CB VAL A 70 14.561 -15.758 -0.591 1.00 22.03 C ATOM 1127 CG1 VAL A 70 13.240 -15.397 0.085 1.00 73.22 C ATOM 1128 CG2 VAL A 70 15.417 -16.558 0.379 1.00 4.51 C ATOM 0 H VAL A 70 16.360 -16.826 -1.937 1.00 14.11 H new ATOM 0 HA VAL A 70 13.564 -17.377 -1.611 1.00 2.23 H new ATOM 0 HB VAL A 70 15.087 -14.847 -0.877 1.00 22.03 H new ATOM 0 HG11 VAL A 70 13.438 -14.802 0.977 1.00 73.22 H new ATOM 0 HG12 VAL A 70 12.623 -14.821 -0.605 1.00 73.22 H new ATOM 0 HG13 VAL A 70 12.714 -16.309 0.367 1.00 73.22 H new ATOM 0 HG21 VAL A 70 15.611 -15.961 1.270 1.00 4.51 H new ATOM 0 HG22 VAL A 70 14.892 -17.470 0.661 1.00 4.51 H new ATOM 0 HG23 VAL A 70 16.362 -16.816 -0.098 1.00 4.51 H new ATOM 1138 N ARG A 71 12.533 -16.025 -3.386 1.00 60.24 N ATOM 1139 CA ARG A 71 11.825 -15.154 -4.307 1.00 5.14 C ATOM 1140 C ARG A 71 10.651 -14.505 -3.601 1.00 73.44 C ATOM 1141 O ARG A 71 9.930 -13.693 -4.189 1.00 42.30 O ATOM 1142 CB ARG A 71 11.301 -15.942 -5.499 1.00 72.31 C ATOM 1143 CG ARG A 71 12.455 -16.540 -6.298 1.00 42.42 C ATOM 1144 CD ARG A 71 11.871 -17.354 -7.449 1.00 13.23 C ATOM 1145 NE ARG A 71 11.139 -16.470 -8.352 1.00 43.00 N ATOM 1146 CZ ARG A 71 10.378 -16.940 -9.339 1.00 42.14 C ATOM 1147 NH1 ARG A 71 10.245 -18.229 -9.502 1.00 15.55 N ATOM 1148 NH2 ARG A 71 9.752 -16.107 -10.124 1.00 31.11 N ATOM 0 H ARG A 71 12.039 -16.884 -3.146 1.00 60.24 H new ATOM 0 HA ARG A 71 12.522 -14.393 -4.657 1.00 5.14 H new ATOM 0 HB2 ARG A 71 10.640 -16.737 -5.154 1.00 72.31 H new ATOM 0 HB3 ARG A 71 10.707 -15.290 -6.140 1.00 72.31 H new ATOM 0 HG2 ARG A 71 13.101 -15.750 -6.681 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.071 -17.173 -5.659 1.00 42.42 H new ATOM 0 HD2 ARG A 71 12.669 -17.863 -7.990 1.00 13.23 H new ATOM 0 HD3 ARG A 71 11.206 -18.126 -7.061 1.00 13.23 H new ATOM 0 HE ARG A 71 11.213 -15.461 -8.223 1.00 43.00 H new ATOM 0 HH11 ARG A 71 10.724 -18.875 -8.874 1.00 15.55 H new ATOM 0 HH12 ARG A 71 9.662 -18.590 -10.257 1.00 15.55 H new ATOM 0 HH21 ARG A 71 9.847 -15.102 -9.980 1.00 31.11 H new ATOM 0 HH22 ARG A 71 9.168 -16.461 -10.881 1.00 31.11 H new ATOM 1162 N GLN A 72 10.374 -14.972 -2.396 1.00 22.33 N ATOM 1163 CA GLN A 72 9.200 -14.532 -1.666 1.00 11.22 C ATOM 1164 C GLN A 72 9.257 -14.979 -0.224 1.00 63.41 C ATOM 1165 O GLN A 72 10.199 -15.646 0.190 1.00 54.20 O ATOM 1166 CB GLN A 72 7.923 -15.059 -2.329 1.00 72.22 C ATOM 1167 CG GLN A 72 8.143 -16.486 -2.832 1.00 11.44 C ATOM 1168 CD GLN A 72 7.961 -16.559 -4.346 1.00 64.24 C ATOM 1169 OE1 GLN A 72 7.527 -17.584 -4.863 1.00 55.53 O ATOM 1170 NE2 GLN A 72 8.277 -15.542 -5.091 1.00 55.43 N ATOM 0 H GLN A 72 10.947 -15.656 -1.903 1.00 22.33 H new ATOM 0 HA GLN A 72 9.184 -13.442 -1.688 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.099 -15.039 -1.616 1.00 72.22 H new ATOM 0 HB3 GLN A 72 7.641 -14.412 -3.159 1.00 72.22 H new ATOM 0 HG2 GLN A 72 9.145 -16.821 -2.565 1.00 11.44 H new ATOM 0 HG3 GLN A 72 7.441 -17.161 -2.343 1.00 11.44 H new ATOM 0 HE21 GLN A 72 8.638 -14.689 -4.663 1.00 55.43 H new ATOM 0 HE22 GLN A 72 8.164 -15.597 -6.103 1.00 55.43 H new ATOM 1179 N ASN A 73 8.224 -14.646 0.524 1.00 71.53 N ATOM 1180 CA ASN A 73 8.145 -15.027 1.930 1.00 20.42 C ATOM 1181 C ASN A 73 7.895 -16.519 2.066 1.00 52.02 C ATOM 1182 O ASN A 73 7.537 -17.186 1.091 1.00 44.32 O ATOM 1183 CB ASN A 73 7.051 -14.220 2.657 1.00 43.42 C ATOM 1184 CG ASN A 73 5.717 -14.956 2.669 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.260 -15.384 3.731 1.00 70.33 O ATOM 1186 ND2 ASN A 73 5.062 -15.117 1.567 1.00 55.51 N ATOM 0 H ASN A 73 7.424 -14.112 0.186 1.00 71.53 H new ATOM 0 HA ASN A 73 9.101 -14.797 2.400 1.00 20.42 H new ATOM 0 HB2 ASN A 73 7.366 -14.022 3.682 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.928 -13.253 2.169 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.163 -15.600 1.574 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.443 -14.761 0.690 1.00 55.51 H new ATOM 1193 N GLY A 74 8.123 -17.047 3.254 1.00 42.33 N ATOM 1194 CA GLY A 74 7.925 -18.471 3.502 1.00 72.21 C ATOM 1195 C GLY A 74 9.220 -19.252 3.371 1.00 53.51 C ATOM 1196 O GLY A 74 9.239 -20.468 3.582 1.00 53.41 O ATOM 0 H GLY A 74 8.445 -16.516 4.064 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.515 -18.612 4.502 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.191 -18.864 2.798 1.00 72.21 H new ATOM 1200 N ASP A 75 10.312 -18.563 3.054 1.00 74.32 N ATOM 1201 CA ASP A 75 11.612 -19.225 2.979 1.00 40.23 C ATOM 1202 C ASP A 75 12.244 -19.279 4.351 1.00 33.23 C ATOM 1203 O ASP A 75 11.901 -18.481 5.238 1.00 22.31 O ATOM 1204 CB ASP A 75 12.547 -18.542 1.984 1.00 54.44 C ATOM 1205 CG ASP A 75 13.513 -19.558 1.388 1.00 32.10 C ATOM 1206 OD1 ASP A 75 14.065 -20.357 2.133 1.00 41.44 O ATOM 1207 OD2 ASP A 75 13.685 -19.533 0.194 1.00 43.04 O ATOM 0 H ASP A 75 10.326 -17.564 2.848 1.00 74.32 H new ATOM 0 HA ASP A 75 11.447 -20.240 2.618 1.00 40.23 H new ATOM 0 HB2 ASP A 75 11.966 -18.073 1.190 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.104 -17.749 2.483 1.00 54.44 H new ATOM 1212 N SER A 76 13.123 -20.234 4.541 1.00 54.11 N ATOM 1213 CA SER A 76 13.756 -20.439 5.829 1.00 54.23 C ATOM 1214 C SER A 76 15.269 -20.546 5.673 1.00 1.51 C ATOM 1215 O SER A 76 15.758 -21.076 4.667 1.00 74.44 O ATOM 1216 CB SER A 76 13.209 -21.723 6.455 1.00 52.41 C ATOM 1217 OG SER A 76 11.881 -21.947 5.969 1.00 21.32 O ATOM 0 H SER A 76 13.420 -20.887 3.816 1.00 54.11 H new ATOM 0 HA SER A 76 13.537 -19.588 6.473 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.850 -22.568 6.203 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.204 -21.640 7.542 1.00 52.41 H new ATOM 0 HG SER A 76 11.294 -21.224 6.276 1.00 21.32 H new ATOM 1223 N ALA A 77 16.000 -20.104 6.687 1.00 33.13 N ATOM 1224 CA ALA A 77 17.457 -20.213 6.699 1.00 74.42 C ATOM 1225 C ALA A 77 17.925 -20.759 8.040 1.00 71.15 C ATOM 1226 O ALA A 77 17.147 -20.802 9.010 1.00 14.41 O ATOM 1227 CB ALA A 77 18.113 -18.850 6.421 1.00 5.24 C ATOM 0 H ALA A 77 15.607 -19.663 7.519 1.00 33.13 H new ATOM 0 HA ALA A 77 17.757 -20.901 5.908 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.197 -18.958 6.435 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.798 -18.487 5.443 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.809 -18.137 7.188 1.00 5.24 H new ATOM 1233 N TYR A 78 19.183 -21.159 8.114 1.00 12.02 N ATOM 1234 CA TYR A 78 19.730 -21.670 9.358 1.00 11.21 C ATOM 1235 C TYR A 78 20.810 -20.750 9.882 1.00 11.53 C ATOM 1236 O TYR A 78 21.711 -20.338 9.142 1.00 70.42 O ATOM 1237 CB TYR A 78 20.284 -23.083 9.172 1.00 33.45 C ATOM 1238 CG TYR A 78 19.149 -24.022 8.845 1.00 43.33 C ATOM 1239 CD1 TYR A 78 18.769 -24.216 7.512 1.00 21.22 C ATOM 1240 CD2 TYR A 78 18.472 -24.692 9.873 1.00 61.00 C ATOM 1241 CE1 TYR A 78 17.715 -25.081 7.208 1.00 41.13 C ATOM 1242 CE2 TYR A 78 17.418 -25.557 9.567 1.00 1.34 C ATOM 1243 CZ TYR A 78 17.038 -25.748 8.239 1.00 43.02 C ATOM 1244 OH TYR A 78 15.998 -26.599 7.940 1.00 40.42 O ATOM 0 H TYR A 78 19.840 -21.140 7.334 1.00 12.02 H new ATOM 0 HA TYR A 78 18.922 -21.712 10.088 1.00 11.21 H new ATOM 0 HB2 TYR A 78 21.023 -23.094 8.371 1.00 33.45 H new ATOM 0 HB3 TYR A 78 20.792 -23.410 10.079 1.00 33.45 H new ATOM 0 HD1 TYR A 78 19.290 -23.698 6.720 1.00 21.22 H new ATOM 0 HD2 TYR A 78 18.765 -24.540 10.901 1.00 61.00 H new ATOM 0 HE1 TYR A 78 17.422 -25.236 6.180 1.00 41.13 H new ATOM 0 HE2 TYR A 78 16.898 -26.077 10.358 1.00 1.34 H new ATOM 0 HH TYR A 78 15.639 -26.980 8.768 1.00 40.42 H new ATOM 1254 N LEU A 79 20.724 -20.445 11.154 1.00 25.24 N ATOM 1255 CA LEU A 79 21.685 -19.608 11.823 1.00 53.21 C ATOM 1256 C LEU A 79 22.298 -20.408 12.954 1.00 53.55 C ATOM 1257 O LEU A 79 21.583 -20.903 13.840 1.00 62.25 O ATOM 1258 CB LEU A 79 20.972 -18.355 12.378 1.00 53.33 C ATOM 1259 CG LEU A 79 21.972 -17.233 12.726 1.00 44.43 C ATOM 1260 CD1 LEU A 79 22.931 -17.680 13.819 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.767 -16.819 11.484 1.00 71.21 C ATOM 0 H LEU A 79 19.974 -20.777 11.760 1.00 25.24 H new ATOM 0 HA LEU A 79 22.465 -19.287 11.133 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.256 -17.988 11.642 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.404 -18.625 13.268 1.00 53.33 H new ATOM 0 HG LEU A 79 21.401 -16.378 13.088 1.00 44.43 H new ATOM 0 HD11 LEU A 79 23.626 -16.872 14.046 1.00 75.51 H new ATOM 0 HD12 LEU A 79 22.367 -17.936 14.716 1.00 75.51 H new ATOM 0 HD13 LEU A 79 23.489 -18.553 13.479 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.468 -16.027 11.748 1.00 71.21 H new ATOM 0 HD22 LEU A 79 23.318 -17.678 11.102 1.00 71.21 H new ATOM 0 HD23 LEU A 79 22.082 -16.457 10.717 1.00 71.21 H new ATOM 1273 N TYR A 80 23.595 -20.567 12.918 1.00 5.12 N ATOM 1274 CA TYR A 80 24.292 -21.300 13.955 1.00 41.02 C ATOM 1275 C TYR A 80 25.030 -20.326 14.852 1.00 42.44 C ATOM 1276 O TYR A 80 25.709 -19.432 14.359 1.00 55.24 O ATOM 1277 CB TYR A 80 25.249 -22.329 13.327 1.00 20.13 C ATOM 1278 CG TYR A 80 26.046 -23.044 14.398 1.00 72.33 C ATOM 1279 CD1 TYR A 80 25.398 -23.856 15.335 1.00 60.13 C ATOM 1280 CD2 TYR A 80 27.435 -22.903 14.444 1.00 32.42 C ATOM 1281 CE1 TYR A 80 26.136 -24.528 16.314 1.00 34.21 C ATOM 1282 CE2 TYR A 80 28.171 -23.577 15.422 1.00 4.45 C ATOM 1283 CZ TYR A 80 27.523 -24.381 16.358 1.00 1.20 C ATOM 1284 OH TYR A 80 28.259 -25.040 17.317 1.00 2.11 O ATOM 0 H TYR A 80 24.197 -20.199 12.181 1.00 5.12 H new ATOM 0 HA TYR A 80 23.574 -21.849 14.564 1.00 41.02 H new ATOM 0 HB2 TYR A 80 24.680 -23.054 12.745 1.00 20.13 H new ATOM 0 HB3 TYR A 80 25.927 -21.828 12.636 1.00 20.13 H new ATOM 0 HD1 TYR A 80 24.324 -23.964 15.302 1.00 60.13 H new ATOM 0 HD2 TYR A 80 27.939 -22.274 13.725 1.00 32.42 H new ATOM 0 HE1 TYR A 80 25.635 -25.158 17.033 1.00 34.21 H new ATOM 0 HE2 TYR A 80 29.246 -23.475 15.453 1.00 4.45 H new ATOM 0 HH TYR A 80 29.209 -24.828 17.204 1.00 2.11 H new ATOM 1294 N LEU A 81 24.865 -20.462 16.157 1.00 0.03 N ATOM 1295 CA LEU A 81 25.523 -19.557 17.092 1.00 31.14 C ATOM 1296 C LEU A 81 26.661 -20.258 17.797 1.00 52.43 C ATOM 1297 O LEU A 81 26.476 -21.305 18.422 1.00 25.33 O ATOM 1298 CB LEU A 81 24.536 -19.006 18.133 1.00 11.44 C ATOM 1299 CG LEU A 81 23.392 -18.252 17.450 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.383 -17.797 18.508 1.00 74.33 C ATOM 1301 CD2 LEU A 81 23.933 -17.015 16.734 1.00 62.13 C ATOM 0 H LEU A 81 24.288 -21.182 16.592 1.00 0.03 H new ATOM 0 HA LEU A 81 25.915 -18.721 16.513 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.133 -19.825 18.729 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.058 -18.340 18.819 1.00 11.44 H new ATOM 0 HG LEU A 81 22.915 -18.915 16.728 1.00 63.32 H new ATOM 0 HD11 LEU A 81 21.567 -17.260 18.025 1.00 74.33 H new ATOM 0 HD12 LEU A 81 21.986 -18.667 19.030 1.00 74.33 H new ATOM 0 HD13 LEU A 81 22.877 -17.140 19.223 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.111 -16.486 16.251 1.00 62.13 H new ATOM 0 HD22 LEU A 81 24.413 -16.357 17.458 1.00 62.13 H new ATOM 0 HD23 LEU A 81 24.660 -17.319 15.981 1.00 62.13 H new ATOM 1313 N LEU A 82 27.819 -19.646 17.747 1.00 41.20 N ATOM 1314 CA LEU A 82 28.993 -20.168 18.425 1.00 33.24 C ATOM 1315 C LEU A 82 28.880 -19.908 19.905 1.00 52.35 C ATOM 1316 O LEU A 82 28.129 -19.034 20.326 1.00 61.23 O ATOM 1317 CB LEU A 82 30.286 -19.532 17.883 1.00 34.41 C ATOM 1318 CG LEU A 82 30.511 -19.905 16.401 1.00 5.31 C ATOM 1319 CD1 LEU A 82 30.199 -21.379 16.169 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.617 -19.053 15.500 1.00 74.54 C ATOM 0 H LEU A 82 27.980 -18.776 17.239 1.00 41.20 H new ATOM 0 HA LEU A 82 29.042 -21.241 18.239 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.232 -18.448 17.984 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.136 -19.865 18.478 1.00 34.41 H new ATOM 0 HG LEU A 82 31.557 -19.717 16.157 1.00 5.31 H new ATOM 0 HD11 LEU A 82 30.363 -21.625 15.120 1.00 4.22 H new ATOM 0 HD12 LEU A 82 30.852 -21.991 16.791 1.00 4.22 H new ATOM 0 HD13 LEU A 82 29.159 -21.576 16.430 1.00 4.22 H new ATOM 0 HD21 LEU A 82 29.785 -19.326 14.458 1.00 74.54 H new ATOM 0 HD22 LEU A 82 28.572 -19.226 15.756 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.856 -17.999 15.642 1.00 74.54 H new ATOM 1332 N SER A 83 29.634 -20.641 20.694 1.00 72.52 N ATOM 1333 CA SER A 83 29.612 -20.460 22.137 1.00 14.32 C ATOM 1334 C SER A 83 30.189 -19.098 22.559 1.00 12.51 C ATOM 1335 O SER A 83 30.480 -18.879 23.745 1.00 43.32 O ATOM 1336 CB SER A 83 30.352 -21.599 22.823 1.00 65.22 C ATOM 1337 OG SER A 83 29.881 -22.834 22.294 1.00 63.53 O ATOM 0 H SER A 83 30.270 -21.368 20.366 1.00 72.52 H new ATOM 0 HA SER A 83 28.569 -20.475 22.455 1.00 14.32 H new ATOM 0 HB2 SER A 83 31.426 -21.504 22.661 1.00 65.22 H new ATOM 0 HB3 SER A 83 30.187 -21.562 23.900 1.00 65.22 H new ATOM 0 HG SER A 83 30.613 -23.485 22.282 1.00 63.53 H new ATOM 1343 N ALA A 84 30.215 -18.150 21.628 1.00 2.42 N ATOM 1344 CA ALA A 84 30.585 -16.783 21.943 1.00 12.40 C ATOM 1345 C ALA A 84 29.417 -16.116 22.629 1.00 24.54 C ATOM 1346 O ALA A 84 28.338 -16.697 22.710 1.00 65.31 O ATOM 1347 CB ALA A 84 30.970 -16.003 20.675 1.00 41.54 C ATOM 0 H ALA A 84 29.983 -18.308 20.647 1.00 2.42 H new ATOM 0 HA ALA A 84 31.455 -16.791 22.600 1.00 12.40 H new ATOM 0 HB1 ALA A 84 31.242 -14.982 20.944 1.00 41.54 H new ATOM 0 HB2 ALA A 84 31.818 -16.489 20.192 1.00 41.54 H new ATOM 0 HB3 ALA A 84 30.123 -15.984 19.989 1.00 41.54 H new ATOM 1353 N ARG A 85 29.635 -14.935 23.166 1.00 20.43 N ATOM 1354 CA ARG A 85 28.580 -14.235 23.886 1.00 2.21 C ATOM 1355 C ARG A 85 28.528 -12.771 23.514 1.00 70.24 C ATOM 1356 O ARG A 85 29.568 -12.136 23.285 1.00 2.14 O ATOM 1357 CB ARG A 85 28.764 -14.412 25.395 1.00 3.12 C ATOM 1358 CG ARG A 85 28.001 -15.668 25.862 1.00 73.00 C ATOM 1359 CD ARG A 85 28.884 -16.482 26.808 1.00 4.44 C ATOM 1360 NE ARG A 85 29.801 -17.316 26.030 1.00 10.23 N ATOM 1361 CZ ARG A 85 30.998 -17.695 26.486 1.00 63.44 C ATOM 1362 NH1 ARG A 85 31.424 -17.274 27.647 1.00 54.33 N ATOM 1363 NH2 ARG A 85 31.735 -18.487 25.762 1.00 55.53 N ATOM 0 H ARG A 85 30.525 -14.438 23.121 1.00 20.43 H new ATOM 0 HA ARG A 85 27.625 -14.674 23.597 1.00 2.21 H new ATOM 0 HB2 ARG A 85 29.823 -14.507 25.634 1.00 3.12 H new ATOM 0 HB3 ARG A 85 28.396 -13.532 25.923 1.00 3.12 H new ATOM 0 HG2 ARG A 85 27.079 -15.379 26.367 1.00 73.00 H new ATOM 0 HG3 ARG A 85 27.717 -16.274 25.002 1.00 73.00 H new ATOM 0 HD2 ARG A 85 29.448 -15.814 27.460 1.00 4.44 H new ATOM 0 HD3 ARG A 85 28.265 -17.107 27.451 1.00 4.44 H new ATOM 0 HE ARG A 85 29.514 -17.621 25.100 1.00 10.23 H new ATOM 0 HH11 ARG A 85 30.842 -16.653 28.209 1.00 54.33 H new ATOM 0 HH12 ARG A 85 32.339 -17.566 27.991 1.00 54.33 H new ATOM 0 HH21 ARG A 85 31.397 -18.812 24.856 1.00 55.53 H new ATOM 0 HH22 ARG A 85 32.651 -18.783 26.101 1.00 55.53 H new ATOM 1377 N ASN A 86 27.318 -12.238 23.460 1.00 72.42 N ATOM 1378 CA ASN A 86 27.094 -10.843 23.132 1.00 43.42 C ATOM 1379 C ASN A 86 25.981 -10.270 23.987 1.00 13.12 C ATOM 1380 O ASN A 86 24.808 -10.505 23.721 1.00 21.14 O ATOM 1381 CB ASN A 86 26.726 -10.684 21.660 1.00 53.32 C ATOM 1382 CG ASN A 86 26.501 -9.205 21.359 1.00 11.41 C ATOM 1383 OD1 ASN A 86 27.352 -8.370 21.686 1.00 50.23 O ATOM 1384 ND2 ASN A 86 25.411 -8.822 20.771 1.00 4.31 N ATOM 0 H ASN A 86 26.463 -12.763 23.643 1.00 72.42 H new ATOM 0 HA ASN A 86 28.020 -10.302 23.329 1.00 43.42 H new ATOM 0 HB2 ASN A 86 27.522 -11.080 21.029 1.00 53.32 H new ATOM 0 HB3 ASN A 86 25.826 -11.255 21.434 1.00 53.32 H new ATOM 0 HD21 ASN A 86 25.256 -7.832 20.578 1.00 4.31 H new ATOM 0 HD22 ASN A 86 24.708 -9.510 20.501 1.00 4.31 H new ATOM 1391 N THR A 87 26.338 -9.480 24.972 1.00 54.54 N ATOM 1392 CA THR A 87 25.350 -8.825 25.813 1.00 5.51 C ATOM 1393 C THR A 87 25.868 -7.471 26.251 1.00 42.40 C ATOM 1394 O THR A 87 27.062 -7.307 26.467 1.00 24.33 O ATOM 1395 CB THR A 87 25.010 -9.703 27.036 1.00 0.04 C ATOM 1396 OG1 THR A 87 24.270 -8.935 27.985 1.00 73.02 O ATOM 1397 CG2 THR A 87 26.293 -10.233 27.683 1.00 13.21 C ATOM 0 H THR A 87 27.306 -9.272 25.215 1.00 54.54 H new ATOM 0 HA THR A 87 24.435 -8.682 25.239 1.00 5.51 H new ATOM 0 HB THR A 87 24.409 -10.551 26.707 1.00 0.04 H new ATOM 0 HG1 THR A 87 24.053 -9.494 28.760 1.00 73.02 H new ATOM 0 HG21 THR A 87 26.038 -10.851 28.544 1.00 13.21 H new ATOM 0 HG22 THR A 87 26.846 -10.831 26.958 1.00 13.21 H new ATOM 0 HG23 THR A 87 26.910 -9.395 28.007 1.00 13.21 H new ATOM 1405 N SER A 88 24.974 -6.532 26.463 1.00 41.20 N ATOM 1406 CA SER A 88 25.378 -5.213 26.912 1.00 14.24 C ATOM 1407 C SER A 88 26.137 -5.310 28.226 1.00 53.12 C ATOM 1408 O SER A 88 26.965 -4.460 28.543 1.00 13.03 O ATOM 1409 CB SER A 88 24.171 -4.296 27.032 1.00 12.31 C ATOM 1410 OG SER A 88 23.257 -4.577 25.961 1.00 52.20 O ATOM 0 H SER A 88 23.969 -6.652 26.334 1.00 41.20 H new ATOM 0 HA SER A 88 26.049 -4.780 26.170 1.00 14.24 H new ATOM 0 HB2 SER A 88 23.680 -4.445 27.994 1.00 12.31 H new ATOM 0 HB3 SER A 88 24.486 -3.253 26.993 1.00 12.31 H new ATOM 0 HG SER A 88 22.476 -3.990 26.035 1.00 52.20 H new ATOM 1416 N LEU A 89 25.937 -6.414 28.916 1.00 11.45 N ATOM 1417 CA LEU A 89 26.693 -6.728 30.115 1.00 2.42 C ATOM 1418 C LEU A 89 28.171 -6.925 29.773 1.00 41.41 C ATOM 1419 O LEU A 89 29.052 -6.650 30.588 1.00 23.42 O ATOM 1420 CB LEU A 89 26.141 -7.994 30.788 1.00 31.31 C ATOM 1421 CG LEU A 89 24.745 -7.712 31.369 1.00 52.24 C ATOM 1422 CD1 LEU A 89 24.112 -9.024 31.829 1.00 72.30 C ATOM 1423 CD2 LEU A 89 24.860 -6.763 32.575 1.00 73.01 C ATOM 0 H LEU A 89 25.246 -7.120 28.663 1.00 11.45 H new ATOM 0 HA LEU A 89 26.595 -5.893 30.808 1.00 2.42 H new ATOM 0 HB2 LEU A 89 26.086 -8.807 30.064 1.00 31.31 H new ATOM 0 HB3 LEU A 89 26.815 -8.319 31.580 1.00 31.31 H new ATOM 0 HG LEU A 89 24.127 -7.249 30.600 1.00 52.24 H new ATOM 0 HD11 LEU A 89 23.123 -8.826 32.241 1.00 72.30 H new ATOM 0 HD12 LEU A 89 24.022 -9.702 30.980 1.00 72.30 H new ATOM 0 HD13 LEU A 89 24.739 -9.482 32.594 1.00 72.30 H new ATOM 0 HD21 LEU A 89 23.867 -6.568 32.981 1.00 73.01 H new ATOM 0 HD22 LEU A 89 25.482 -7.224 33.343 1.00 73.01 H new ATOM 0 HD23 LEU A 89 25.313 -5.824 32.257 1.00 73.01 H new ATOM 1435 N ASN A 90 28.425 -7.528 28.615 1.00 22.24 N ATOM 1436 CA ASN A 90 29.789 -7.880 28.215 1.00 13.40 C ATOM 1437 C ASN A 90 30.591 -6.670 27.778 1.00 13.42 C ATOM 1438 O ASN A 90 29.995 -5.668 27.454 1.00 53.14 O ATOM 1439 CB ASN A 90 29.808 -8.978 27.127 1.00 14.11 C ATOM 1440 CG ASN A 90 29.452 -8.451 25.720 1.00 13.14 C ATOM 1441 OD1 ASN A 90 29.277 -9.252 24.798 1.00 72.21 O ATOM 1442 ND2 ASN A 90 29.328 -7.181 25.485 1.00 54.13 N ATOM 1443 OXT ASN A 90 31.788 -6.765 27.762 1.00 13.42 O ATOM 0 H ASN A 90 27.708 -7.784 27.937 1.00 22.24 H new ATOM 0 HA ASN A 90 30.271 -8.286 29.104 1.00 13.40 H new ATOM 0 HB2 ASN A 90 30.798 -9.433 27.097 1.00 14.11 H new ATOM 0 HB3 ASN A 90 29.104 -9.764 27.402 1.00 14.11 H new ATOM 0 HD21 ASN A 90 29.089 -6.857 24.548 1.00 54.13 H new ATOM 0 HD22 ASN A 90 29.470 -6.507 26.237 1.00 54.13 H new TER 1450 ASN A 90