USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=23 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= -0.103 K(o=-0.27,f=-1) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= -0.171 USER MOD Set 2.1: A 64 THR OG1 : rot 19:sc= 0.752 USER MOD Set 2.2: A 67 SER OG : rot -121:sc= 1.77 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.894! (180deg=0.666!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 11 SER OG : rot 90:sc= 1.25 USER MOD Single : A 16 GLN : amide:sc= -0.0247 X(o=-0.025,f=-0.075) USER MOD Single : A 17 MET CE :methyl 150:sc= -0.161 (180deg=-0.973) USER MOD Single : A 18 HIS : no HE2:sc= -1.03! C(o=-1!,f=-8.8!) USER MOD Single : A 19 THR OG1 : rot -96:sc= 1.07 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 154:sc= -5.66! (180deg=-7.14!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= 1.21 (180deg=0.121) USER MOD Single : A 38 MET CE :methyl -135:sc= -7.94! (180deg=-15.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 50 GLN : amide:sc= 1.56 K(o=1.6,f=-9.8!) USER MOD Single : A 51 GLN : amide:sc= -0.874! K(o=-0.87!,f=-2.2) USER MOD Single : A 56 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.35) USER MOD Single : A 62 GLN : amide:sc= -1.48! C(o=-1.5!,f=-16!) USER MOD Single : A 66 HIS : no HD1:sc= -1.01 K(o=-1,f=-3.1!) USER MOD Single : A 68 HIS : +bothHN:sc= -4.08! C(o=-4.1!,f=-20!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.38) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc=-0.00443 USER MOD Single : A 87 THR OG1 : rot 71:sc= 0.126 USER MOD Single : A 90 ASN : amide:sc= -1.98 K(o=-2,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.165 -1.633 3.907 1.00 3.24 N ATOM 2 CA MET A 1 7.010 -0.936 2.906 1.00 12.54 C ATOM 3 C MET A 1 6.158 -0.673 1.669 1.00 41.00 C ATOM 4 O MET A 1 5.126 -1.310 1.488 1.00 41.40 O ATOM 5 CB MET A 1 8.218 -1.820 2.552 1.00 64.21 C ATOM 6 CG MET A 1 9.027 -2.142 3.820 1.00 31.12 C ATOM 7 SD MET A 1 8.738 -0.875 5.085 1.00 74.30 S ATOM 8 CE MET A 1 9.583 -1.710 6.451 1.00 21.22 C ATOM 0 H1 MET A 1 6.645 -1.628 4.830 1.00 3.24 H new ATOM 0 H2 MET A 1 5.251 -1.145 3.990 1.00 3.24 H new ATOM 0 H3 MET A 1 6.007 -2.615 3.604 1.00 3.24 H new ATOM 0 HA MET A 1 7.381 0.009 3.303 1.00 12.54 H new ATOM 0 HB2 MET A 1 7.878 -2.744 2.084 1.00 64.21 H new ATOM 0 HB3 MET A 1 8.852 -1.310 1.827 1.00 64.21 H new ATOM 0 HG2 MET A 1 8.741 -3.121 4.204 1.00 31.12 H new ATOM 0 HG3 MET A 1 10.089 -2.191 3.580 1.00 31.12 H new ATOM 0 HE1 MET A 1 9.525 -1.092 7.347 1.00 21.22 H new ATOM 0 HE2 MET A 1 9.105 -2.671 6.641 1.00 21.22 H new ATOM 0 HE3 MET A 1 10.629 -1.871 6.188 1.00 21.22 H new ATOM 20 N PRO A 2 6.565 0.236 0.803 1.00 54.43 N ATOM 21 CA PRO A 2 5.785 0.552 -0.439 1.00 61.14 C ATOM 22 C PRO A 2 5.484 -0.721 -1.217 1.00 54.42 C ATOM 23 O PRO A 2 4.337 -0.985 -1.578 1.00 70.24 O ATOM 24 CB PRO A 2 6.746 1.447 -1.228 1.00 31.13 C ATOM 25 CG PRO A 2 7.587 2.105 -0.184 1.00 35.04 C ATOM 26 CD PRO A 2 7.788 1.058 0.911 1.00 21.25 C ATOM 0 HA PRO A 2 4.822 1.021 -0.238 1.00 61.14 H new ATOM 0 HB2 PRO A 2 7.355 0.864 -1.919 1.00 31.13 H new ATOM 0 HB3 PRO A 2 6.205 2.182 -1.823 1.00 31.13 H new ATOM 0 HG2 PRO A 2 8.543 2.426 -0.598 1.00 35.04 H new ATOM 0 HG3 PRO A 2 7.095 2.994 0.211 1.00 35.04 H new ATOM 0 HD2 PRO A 2 8.689 0.467 0.746 1.00 21.25 H new ATOM 0 HD3 PRO A 2 7.883 1.515 1.896 1.00 21.25 H new ATOM 34 N THR A 3 6.469 -1.582 -1.288 1.00 60.23 N ATOM 35 CA THR A 3 6.281 -2.909 -1.828 1.00 34.02 C ATOM 36 C THR A 3 6.250 -3.900 -0.674 1.00 24.54 C ATOM 37 O THR A 3 6.666 -3.563 0.442 1.00 23.13 O ATOM 38 CB THR A 3 7.414 -3.240 -2.816 1.00 41.34 C ATOM 39 OG1 THR A 3 8.658 -2.735 -2.315 1.00 64.32 O ATOM 40 CG2 THR A 3 7.114 -2.589 -4.171 1.00 33.11 C ATOM 0 H THR A 3 7.420 -1.386 -0.975 1.00 60.23 H new ATOM 0 HA THR A 3 5.339 -2.967 -2.374 1.00 34.02 H new ATOM 0 HB THR A 3 7.483 -4.321 -2.933 1.00 41.34 H new ATOM 0 HG1 THR A 3 9.376 -2.950 -2.946 1.00 64.32 H new ATOM 0 HG21 THR A 3 7.915 -2.822 -4.872 1.00 33.11 H new ATOM 0 HG22 THR A 3 6.170 -2.973 -4.558 1.00 33.11 H new ATOM 0 HG23 THR A 3 7.043 -1.508 -4.048 1.00 33.11 H new ATOM 48 N GLN A 4 5.757 -5.103 -0.914 1.00 24.52 N ATOM 49 CA GLN A 4 5.717 -6.082 0.150 1.00 33.21 C ATOM 50 C GLN A 4 7.088 -6.670 0.355 1.00 75.12 C ATOM 51 O GLN A 4 7.662 -7.263 -0.567 1.00 45.13 O ATOM 52 CB GLN A 4 4.743 -7.217 -0.150 1.00 50.20 C ATOM 53 CG GLN A 4 3.307 -6.693 -0.240 1.00 63.15 C ATOM 54 CD GLN A 4 2.351 -7.870 -0.341 1.00 61.42 C ATOM 55 OE1 GLN A 4 2.407 -8.788 0.490 1.00 73.13 O ATOM 56 NE2 GLN A 4 1.488 -7.923 -1.306 1.00 13.31 N ATOM 0 H GLN A 4 5.389 -5.417 -1.812 1.00 24.52 H new ATOM 0 HA GLN A 4 5.379 -5.566 1.048 1.00 33.21 H new ATOM 0 HB2 GLN A 4 5.018 -7.700 -1.088 1.00 50.20 H new ATOM 0 HB3 GLN A 4 4.810 -7.975 0.630 1.00 50.20 H new ATOM 0 HG2 GLN A 4 3.071 -6.092 0.638 1.00 63.15 H new ATOM 0 HG3 GLN A 4 3.198 -6.045 -1.109 1.00 63.15 H new ATOM 0 HE21 GLN A 4 1.441 -7.168 -1.990 1.00 13.31 H new ATOM 0 HE22 GLN A 4 0.855 -8.720 -1.381 1.00 13.31 H new ATOM 65 N ASP A 5 7.532 -6.657 1.585 1.00 70.34 N ATOM 66 CA ASP A 5 8.766 -7.327 1.949 1.00 52.01 C ATOM 67 C ASP A 5 8.487 -8.798 2.072 1.00 14.04 C ATOM 68 O ASP A 5 7.332 -9.220 1.983 1.00 34.30 O ATOM 69 CB ASP A 5 9.329 -6.787 3.276 1.00 72.04 C ATOM 70 CG ASP A 5 10.261 -5.625 3.012 1.00 32.43 C ATOM 71 OD1 ASP A 5 9.823 -4.663 2.425 1.00 71.24 O ATOM 72 OD2 ASP A 5 11.410 -5.709 3.393 1.00 63.22 O ATOM 0 H ASP A 5 7.060 -6.189 2.359 1.00 70.34 H new ATOM 0 HA ASP A 5 9.513 -7.142 1.177 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.512 -6.468 3.923 1.00 72.04 H new ATOM 0 HB3 ASP A 5 9.862 -7.579 3.802 1.00 72.04 H new ATOM 77 N ILE A 6 9.506 -9.571 2.320 1.00 61.21 N ATOM 78 CA ILE A 6 9.334 -10.990 2.478 1.00 73.32 C ATOM 79 C ILE A 6 9.877 -11.432 3.814 1.00 11.45 C ATOM 80 O ILE A 6 10.765 -10.786 4.387 1.00 13.11 O ATOM 81 CB ILE A 6 10.036 -11.755 1.348 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.544 -11.513 1.396 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.507 -11.266 -0.005 1.00 61.31 C ATOM 84 CD1 ILE A 6 12.223 -12.486 0.443 1.00 10.12 C ATOM 0 H ILE A 6 10.467 -9.243 2.418 1.00 61.21 H new ATOM 0 HA ILE A 6 8.268 -11.212 2.433 1.00 73.32 H new ATOM 0 HB ILE A 6 9.835 -12.819 1.473 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.771 -10.485 1.113 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.918 -11.654 2.410 1.00 42.14 H new ATOM 0 HG21 ILE A 6 10.005 -11.809 -0.808 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.433 -11.441 -0.060 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.707 -10.200 -0.110 1.00 61.31 H new ATOM 0 HD11 ILE A 6 13.301 -12.325 0.466 1.00 10.12 H new ATOM 0 HD12 ILE A 6 12.002 -13.509 0.749 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.853 -12.322 -0.569 1.00 10.12 H new ATOM 96 N ARG A 7 9.341 -12.516 4.313 1.00 43.32 N ATOM 97 CA ARG A 7 9.749 -13.041 5.584 1.00 44.44 C ATOM 98 C ARG A 7 10.645 -14.228 5.376 1.00 14.40 C ATOM 99 O ARG A 7 10.299 -15.157 4.635 1.00 73.14 O ATOM 100 CB ARG A 7 8.524 -13.460 6.377 1.00 13.53 C ATOM 101 CG ARG A 7 7.661 -12.230 6.614 1.00 74.33 C ATOM 102 CD ARG A 7 6.399 -12.628 7.365 1.00 62.21 C ATOM 103 NE ARG A 7 5.549 -11.464 7.552 1.00 62.41 N ATOM 104 CZ ARG A 7 4.334 -11.556 8.073 1.00 20.20 C ATOM 105 NH1 ARG A 7 3.867 -12.717 8.448 1.00 41.23 N ATOM 106 NH2 ARG A 7 3.614 -10.483 8.210 1.00 33.44 N ATOM 0 H ARG A 7 8.611 -13.056 3.848 1.00 43.32 H new ATOM 0 HA ARG A 7 10.292 -12.273 6.135 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.961 -14.219 5.833 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.821 -13.904 7.327 1.00 13.53 H new ATOM 0 HG2 ARG A 7 8.218 -11.488 7.186 1.00 74.33 H new ATOM 0 HG3 ARG A 7 7.399 -11.768 5.662 1.00 74.33 H new ATOM 0 HD2 ARG A 7 5.862 -13.397 6.810 1.00 62.21 H new ATOM 0 HD3 ARG A 7 6.661 -13.058 8.332 1.00 62.21 H new ATOM 0 HE ARG A 7 5.899 -10.547 7.273 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.438 -13.555 8.340 1.00 41.23 H new ATOM 0 HH12 ARG A 7 2.932 -12.785 8.849 1.00 41.23 H new ATOM 0 HH21 ARG A 7 3.985 -9.579 7.917 1.00 33.44 H new ATOM 0 HH22 ARG A 7 2.678 -10.545 8.610 1.00 33.44 H new ATOM 120 N LEU A 8 11.776 -14.203 6.036 1.00 14.31 N ATOM 121 CA LEU A 8 12.742 -15.275 5.971 1.00 32.33 C ATOM 122 C LEU A 8 12.828 -15.927 7.335 1.00 71.45 C ATOM 123 O LEU A 8 13.051 -15.236 8.344 1.00 32.14 O ATOM 124 CB LEU A 8 14.115 -14.690 5.563 1.00 51.41 C ATOM 125 CG LEU A 8 15.167 -15.783 5.251 1.00 41.23 C ATOM 126 CD1 LEU A 8 15.997 -16.082 6.494 1.00 43.15 C ATOM 127 CD2 LEU A 8 14.520 -17.075 4.737 1.00 70.54 C ATOM 0 H LEU A 8 12.056 -13.430 6.640 1.00 14.31 H new ATOM 0 HA LEU A 8 12.444 -16.021 5.234 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.988 -14.055 4.687 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.487 -14.054 6.366 1.00 51.41 H new ATOM 0 HG LEU A 8 15.812 -15.397 4.461 1.00 41.23 H new ATOM 0 HD11 LEU A 8 16.733 -16.852 6.263 1.00 43.15 H new ATOM 0 HD12 LEU A 8 16.509 -15.175 6.817 1.00 43.15 H new ATOM 0 HD13 LEU A 8 15.343 -16.433 7.292 1.00 43.15 H new ATOM 0 HD21 LEU A 8 15.295 -17.813 4.531 1.00 70.54 H new ATOM 0 HD22 LEU A 8 13.838 -17.466 5.492 1.00 70.54 H new ATOM 0 HD23 LEU A 8 13.966 -16.866 3.822 1.00 70.54 H new ATOM 139 N TRP A 9 12.635 -17.237 7.388 1.00 31.14 N ATOM 140 CA TRP A 9 12.714 -17.935 8.655 1.00 63.14 C ATOM 141 C TRP A 9 14.128 -18.378 8.862 1.00 61.44 C ATOM 142 O TRP A 9 14.729 -18.988 7.971 1.00 73.50 O ATOM 143 CB TRP A 9 11.818 -19.176 8.659 1.00 41.11 C ATOM 144 CG TRP A 9 10.443 -18.864 8.174 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.771 -17.711 8.380 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.573 -19.715 7.403 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.522 -17.818 7.781 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.362 -19.035 7.164 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.722 -21.009 6.891 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.326 -19.621 6.444 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.691 -21.602 6.162 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.491 -20.910 5.936 1.00 21.20 C ATOM 0 H TRP A 9 12.426 -17.826 6.582 1.00 31.14 H new ATOM 0 HA TRP A 9 12.385 -17.261 9.446 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.261 -19.947 8.028 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.764 -19.583 9.669 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.142 -16.852 8.919 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.813 -17.085 7.797 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.640 -21.551 7.061 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.404 -19.084 6.280 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.817 -22.600 5.769 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.697 -21.374 5.370 1.00 21.20 H new ATOM 163 N VAL A 10 14.670 -18.092 10.009 1.00 73.13 N ATOM 164 CA VAL A 10 16.032 -18.468 10.271 1.00 21.41 C ATOM 165 C VAL A 10 16.073 -19.507 11.363 1.00 54.12 C ATOM 166 O VAL A 10 15.599 -19.269 12.482 1.00 12.11 O ATOM 167 CB VAL A 10 16.842 -17.234 10.677 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.341 -17.545 10.645 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.533 -16.076 9.729 1.00 2.31 C ATOM 0 H VAL A 10 14.199 -17.605 10.771 1.00 73.13 H new ATOM 0 HA VAL A 10 16.470 -18.892 9.367 1.00 21.41 H new ATOM 0 HB VAL A 10 16.565 -16.952 11.693 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.903 -16.658 10.936 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.559 -18.357 11.339 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.629 -17.843 9.637 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.112 -15.201 10.023 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.796 -16.360 8.710 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.470 -15.840 9.777 1.00 2.31 H new ATOM 179 N SER A 11 16.716 -20.613 11.068 1.00 71.44 N ATOM 180 CA SER A 11 16.926 -21.648 12.045 1.00 32.15 C ATOM 181 C SER A 11 18.222 -21.324 12.749 1.00 55.14 C ATOM 182 O SER A 11 19.259 -21.207 12.099 1.00 33.30 O ATOM 183 CB SER A 11 17.039 -22.998 11.336 1.00 73.42 C ATOM 184 OG SER A 11 16.220 -22.986 10.159 1.00 53.13 O ATOM 0 H SER A 11 17.105 -20.817 10.148 1.00 71.44 H new ATOM 0 HA SER A 11 16.101 -21.702 12.755 1.00 32.15 H new ATOM 0 HB2 SER A 11 18.077 -23.195 11.068 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.724 -23.800 12.004 1.00 73.42 H new ATOM 0 HG SER A 11 16.747 -22.666 9.397 1.00 53.13 H new ATOM 190 N VAL A 12 18.153 -21.056 14.030 1.00 44.50 N ATOM 191 CA VAL A 12 19.312 -20.592 14.754 1.00 65.33 C ATOM 192 C VAL A 12 19.753 -21.627 15.757 1.00 31.54 C ATOM 193 O VAL A 12 18.972 -22.036 16.615 1.00 45.10 O ATOM 194 CB VAL A 12 18.989 -19.266 15.480 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.119 -18.892 16.454 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.794 -18.136 14.457 1.00 44.14 C ATOM 0 H VAL A 12 17.308 -21.151 14.593 1.00 44.50 H new ATOM 0 HA VAL A 12 20.120 -20.423 14.042 1.00 65.33 H new ATOM 0 HB VAL A 12 18.068 -19.402 16.046 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.873 -17.956 16.955 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.235 -19.681 17.197 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.051 -18.773 15.902 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.567 -17.207 14.980 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.707 -18.011 13.875 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.970 -18.388 13.790 1.00 44.14 H new ATOM 206 N GLU A 13 21.031 -21.943 15.733 1.00 65.32 N ATOM 207 CA GLU A 13 21.608 -22.786 16.755 1.00 15.40 C ATOM 208 C GLU A 13 22.141 -21.919 17.856 1.00 23.23 C ATOM 209 O GLU A 13 23.153 -21.244 17.690 1.00 42.34 O ATOM 210 CB GLU A 13 22.723 -23.657 16.178 1.00 20.03 C ATOM 211 CG GLU A 13 22.115 -24.768 15.314 1.00 1.01 C ATOM 212 CD GLU A 13 21.414 -25.802 16.189 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.738 -25.901 17.358 1.00 34.31 O ATOM 214 OE2 GLU A 13 20.559 -26.485 15.677 1.00 14.21 O ATOM 0 H GLU A 13 21.687 -21.629 15.018 1.00 65.32 H new ATOM 0 HA GLU A 13 20.838 -23.450 17.148 1.00 15.40 H new ATOM 0 HB2 GLU A 13 23.401 -23.048 15.580 1.00 20.03 H new ATOM 0 HB3 GLU A 13 23.313 -24.092 16.985 1.00 20.03 H new ATOM 0 HG2 GLU A 13 21.405 -24.339 14.607 1.00 1.01 H new ATOM 0 HG3 GLU A 13 22.897 -25.250 14.727 1.00 1.01 H new ATOM 221 N ASP A 14 21.451 -21.933 18.968 1.00 22.33 N ATOM 222 CA ASP A 14 21.813 -21.131 20.119 1.00 31.53 C ATOM 223 C ASP A 14 23.193 -21.480 20.610 1.00 2.03 C ATOM 224 O ASP A 14 23.645 -22.620 20.476 1.00 12.43 O ATOM 225 CB ASP A 14 20.789 -21.321 21.229 1.00 1.42 C ATOM 226 CG ASP A 14 21.374 -20.964 22.568 1.00 22.13 C ATOM 227 OD1 ASP A 14 21.715 -19.820 22.764 1.00 24.52 O ATOM 228 OD2 ASP A 14 21.478 -21.848 23.384 1.00 34.20 O ATOM 0 H ASP A 14 20.616 -22.503 19.106 1.00 22.33 H new ATOM 0 HA ASP A 14 21.820 -20.083 19.819 1.00 31.53 H new ATOM 0 HB2 ASP A 14 19.915 -20.700 21.033 1.00 1.42 H new ATOM 0 HB3 ASP A 14 20.448 -22.356 21.241 1.00 1.42 H new ATOM 233 N ALA A 15 23.855 -20.506 21.183 1.00 64.23 N ATOM 234 CA ALA A 15 25.207 -20.683 21.672 1.00 62.10 C ATOM 235 C ALA A 15 25.280 -21.833 22.652 1.00 0.30 C ATOM 236 O ALA A 15 26.221 -22.630 22.611 1.00 4.10 O ATOM 237 CB ALA A 15 25.691 -19.409 22.339 1.00 72.21 C ATOM 0 H ALA A 15 23.477 -19.569 21.325 1.00 64.23 H new ATOM 0 HA ALA A 15 25.849 -20.912 20.821 1.00 62.10 H new ATOM 0 HB1 ALA A 15 26.708 -19.553 22.703 1.00 72.21 H new ATOM 0 HB2 ALA A 15 25.676 -18.592 21.617 1.00 72.21 H new ATOM 0 HB3 ALA A 15 25.037 -19.166 23.176 1.00 72.21 H new ATOM 243 N GLN A 16 24.251 -21.978 23.472 1.00 3.31 N ATOM 244 CA GLN A 16 24.197 -23.086 24.418 1.00 70.51 C ATOM 245 C GLN A 16 23.863 -24.380 23.676 1.00 44.44 C ATOM 246 O GLN A 16 23.750 -25.448 24.282 1.00 43.52 O ATOM 247 CB GLN A 16 23.168 -22.822 25.530 1.00 25.04 C ATOM 248 CG GLN A 16 23.273 -21.369 26.033 1.00 60.51 C ATOM 249 CD GLN A 16 24.686 -21.069 26.505 1.00 52.33 C ATOM 250 OE1 GLN A 16 25.263 -21.842 27.280 1.00 42.31 O ATOM 251 NE2 GLN A 16 25.288 -19.999 26.086 1.00 32.13 N ATOM 0 H GLN A 16 23.448 -21.350 23.504 1.00 3.31 H new ATOM 0 HA GLN A 16 25.174 -23.184 24.891 1.00 70.51 H new ATOM 0 HB2 GLN A 16 22.162 -23.011 25.154 1.00 25.04 H new ATOM 0 HB3 GLN A 16 23.334 -23.512 26.358 1.00 25.04 H new ATOM 0 HG2 GLN A 16 22.996 -20.681 25.234 1.00 60.51 H new ATOM 0 HG3 GLN A 16 22.569 -21.209 26.850 1.00 60.51 H new ATOM 0 HE21 GLN A 16 24.811 -19.363 25.447 1.00 32.13 H new ATOM 0 HE22 GLN A 16 26.238 -19.794 26.395 1.00 32.13 H new ATOM 260 N MET A 17 23.721 -24.267 22.356 1.00 5.31 N ATOM 261 CA MET A 17 23.455 -25.392 21.453 1.00 12.12 C ATOM 262 C MET A 17 21.980 -25.788 21.417 1.00 54.32 C ATOM 263 O MET A 17 21.646 -26.978 21.472 1.00 30.13 O ATOM 264 CB MET A 17 24.350 -26.612 21.760 1.00 21.12 C ATOM 265 CG MET A 17 25.815 -26.264 21.469 1.00 2.23 C ATOM 266 SD MET A 17 26.861 -27.682 21.872 1.00 25.23 S ATOM 267 CE MET A 17 26.331 -28.748 20.506 1.00 74.04 C ATOM 0 H MET A 17 23.789 -23.372 21.871 1.00 5.31 H new ATOM 0 HA MET A 17 23.713 -25.036 20.456 1.00 12.12 H new ATOM 0 HB2 MET A 17 24.236 -26.905 22.804 1.00 21.12 H new ATOM 0 HB3 MET A 17 24.041 -27.464 21.154 1.00 21.12 H new ATOM 0 HG2 MET A 17 25.935 -25.996 20.419 1.00 2.23 H new ATOM 0 HG3 MET A 17 26.118 -25.397 22.056 1.00 2.23 H new ATOM 0 HE1 MET A 17 27.150 -29.408 20.221 1.00 74.04 H new ATOM 0 HE2 MET A 17 25.476 -29.346 20.822 1.00 74.04 H new ATOM 0 HE3 MET A 17 26.047 -28.132 19.653 1.00 74.04 H new ATOM 277 N HIS A 18 21.116 -24.809 21.209 1.00 43.51 N ATOM 278 CA HIS A 18 19.683 -25.064 21.021 1.00 22.43 C ATOM 279 C HIS A 18 19.298 -24.656 19.618 1.00 34.12 C ATOM 280 O HIS A 18 19.721 -23.599 19.159 1.00 31.44 O ATOM 281 CB HIS A 18 18.843 -24.229 21.994 1.00 70.50 C ATOM 282 CG HIS A 18 19.180 -24.573 23.410 1.00 40.41 C ATOM 283 ND1 HIS A 18 20.160 -23.893 24.124 1.00 0.13 N ATOM 284 CD2 HIS A 18 18.651 -25.490 24.272 1.00 21.11 C ATOM 285 CE1 HIS A 18 20.178 -24.416 25.366 1.00 21.41 C ATOM 286 NE2 HIS A 18 19.276 -25.391 25.506 1.00 74.45 N ATOM 0 H HIS A 18 21.376 -23.824 21.165 1.00 43.51 H new ATOM 0 HA HIS A 18 19.497 -26.123 21.199 1.00 22.43 H new ATOM 0 HB2 HIS A 18 19.022 -23.168 21.819 1.00 70.50 H new ATOM 0 HB3 HIS A 18 17.783 -24.407 21.813 1.00 70.50 H new ATOM 0 HD1 HIS A 18 20.753 -23.141 23.774 1.00 0.13 H new ATOM 0 HD2 HIS A 18 17.864 -26.188 24.029 1.00 21.11 H new ATOM 0 HE1 HIS A 18 20.841 -24.087 26.152 1.00 21.41 H new ATOM 295 N THR A 19 18.417 -25.403 18.980 1.00 71.41 N ATOM 296 CA THR A 19 17.916 -24.975 17.690 1.00 41.11 C ATOM 297 C THR A 19 16.729 -24.043 17.909 1.00 2.13 C ATOM 298 O THR A 19 15.744 -24.416 18.567 1.00 64.45 O ATOM 299 CB THR A 19 17.483 -26.176 16.839 1.00 2.14 C ATOM 300 OG1 THR A 19 18.519 -27.156 16.813 1.00 11.24 O ATOM 301 CG2 THR A 19 17.184 -25.712 15.405 1.00 20.53 C ATOM 0 H THR A 19 18.042 -26.287 19.323 1.00 71.41 H new ATOM 0 HA THR A 19 18.712 -24.455 17.156 1.00 41.11 H new ATOM 0 HB THR A 19 16.586 -26.614 17.276 1.00 2.14 H new ATOM 0 HG1 THR A 19 19.057 -27.042 16.002 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.877 -26.567 14.803 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.383 -24.973 15.421 1.00 20.53 H new ATOM 0 HG23 THR A 19 18.080 -25.267 14.972 1.00 20.53 H new ATOM 309 N VAL A 20 16.829 -22.836 17.393 1.00 62.44 N ATOM 310 CA VAL A 20 15.786 -21.839 17.555 1.00 2.05 C ATOM 311 C VAL A 20 15.369 -21.314 16.187 1.00 1.51 C ATOM 312 O VAL A 20 16.090 -21.481 15.205 1.00 15.42 O ATOM 313 CB VAL A 20 16.300 -20.686 18.438 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.123 -19.892 19.014 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.146 -21.248 19.592 1.00 52.53 C ATOM 0 H VAL A 20 17.632 -22.517 16.851 1.00 62.44 H new ATOM 0 HA VAL A 20 14.921 -22.291 18.040 1.00 2.05 H new ATOM 0 HB VAL A 20 16.912 -20.025 17.824 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.501 -19.081 19.636 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.530 -19.478 18.199 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.500 -20.552 19.618 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.506 -20.427 20.212 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.536 -21.919 20.197 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.996 -21.796 19.186 1.00 52.53 H new ATOM 325 N THR A 21 14.196 -20.730 16.112 1.00 63.53 N ATOM 326 CA THR A 21 13.692 -20.215 14.858 1.00 44.25 C ATOM 327 C THR A 21 13.292 -18.755 15.012 1.00 12.41 C ATOM 328 O THR A 21 12.544 -18.408 15.930 1.00 11.33 O ATOM 329 CB THR A 21 12.493 -21.055 14.410 1.00 65.22 C ATOM 330 OG1 THR A 21 12.878 -22.429 14.393 1.00 25.54 O ATOM 331 CG2 THR A 21 12.054 -20.640 12.998 1.00 10.42 C ATOM 0 H THR A 21 13.570 -20.599 16.907 1.00 63.53 H new ATOM 0 HA THR A 21 14.474 -20.276 14.101 1.00 44.25 H new ATOM 0 HB THR A 21 11.664 -20.899 15.100 1.00 65.22 H new ATOM 0 HG1 THR A 21 12.118 -22.978 14.109 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.201 -21.244 12.690 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.772 -19.587 12.999 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.878 -20.794 12.301 1.00 10.42 H new ATOM 339 N ILE A 22 13.771 -17.914 14.112 1.00 41.12 N ATOM 340 CA ILE A 22 13.413 -16.501 14.124 1.00 63.41 C ATOM 341 C ILE A 22 12.911 -16.074 12.753 1.00 15.43 C ATOM 342 O ILE A 22 13.223 -16.718 11.737 1.00 50.41 O ATOM 343 CB ILE A 22 14.602 -15.633 14.569 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.776 -15.822 13.609 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.035 -16.024 15.984 1.00 31.40 C ATOM 346 CD1 ILE A 22 16.909 -14.861 13.983 1.00 75.44 C ATOM 0 H ILE A 22 14.409 -18.182 13.363 1.00 41.12 H new ATOM 0 HA ILE A 22 12.610 -16.356 14.847 1.00 63.41 H new ATOM 0 HB ILE A 22 14.294 -14.587 14.561 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.131 -16.852 13.651 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.453 -15.638 12.584 1.00 65.05 H new ATOM 0 HG21 ILE A 22 15.878 -15.404 16.291 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.204 -15.874 16.673 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.332 -17.073 15.997 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.744 -14.999 13.296 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.551 -13.834 13.918 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.239 -15.066 15.001 1.00 75.44 H new ATOM 358 N TRP A 23 12.120 -15.014 12.727 1.00 51.20 N ATOM 359 CA TRP A 23 11.541 -14.519 11.487 1.00 45.54 C ATOM 360 C TRP A 23 12.136 -13.167 11.124 1.00 3.15 C ATOM 361 O TRP A 23 12.014 -12.199 11.889 1.00 71.12 O ATOM 362 CB TRP A 23 10.012 -14.378 11.637 1.00 14.21 C ATOM 363 CG TRP A 23 9.384 -15.724 11.855 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.692 -16.414 10.926 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.376 -16.546 13.062 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.272 -17.609 11.480 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.670 -17.737 12.791 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.910 -16.376 14.348 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.502 -18.724 13.758 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.745 -17.366 15.329 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.042 -18.541 15.033 1.00 12.23 C ATOM 0 H TRP A 23 11.863 -14.477 13.555 1.00 51.20 H new ATOM 0 HA TRP A 23 11.766 -15.233 10.695 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.781 -13.721 12.476 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.593 -13.914 10.744 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.498 -16.087 9.915 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.731 -18.312 10.977 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.454 -15.474 14.586 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 7.957 -19.626 13.524 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.161 -17.222 16.315 1.00 74.51 H new ATOM 0 HH2 TRP A 23 8.918 -19.303 15.788 1.00 12.23 H new ATOM 382 N LEU A 24 12.692 -13.071 9.928 1.00 44.10 N ATOM 383 CA LEU A 24 13.209 -11.805 9.425 1.00 40.20 C ATOM 384 C LEU A 24 12.376 -11.345 8.249 1.00 52.40 C ATOM 385 O LEU A 24 12.172 -12.104 7.300 1.00 21.24 O ATOM 386 CB LEU A 24 14.674 -11.955 8.985 1.00 70.54 C ATOM 387 CG LEU A 24 15.536 -12.398 10.178 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.980 -12.595 9.722 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.505 -11.327 11.273 1.00 21.54 C ATOM 0 H LEU A 24 12.798 -13.855 9.284 1.00 44.10 H new ATOM 0 HA LEU A 24 13.156 -11.067 10.225 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.748 -12.686 8.180 1.00 70.54 H new ATOM 0 HB3 LEU A 24 15.043 -11.008 8.590 1.00 70.54 H new ATOM 0 HG LEU A 24 15.138 -13.334 10.571 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.590 -12.909 10.569 1.00 42.21 H new ATOM 0 HD12 LEU A 24 17.015 -13.360 8.946 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.367 -11.657 9.324 1.00 42.21 H new ATOM 0 HD21 LEU A 24 16.118 -11.649 12.114 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.896 -10.390 10.877 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.478 -11.179 11.608 1.00 21.54 H new ATOM 401 N THR A 25 11.936 -10.103 8.289 1.00 32.11 N ATOM 402 CA THR A 25 11.161 -9.541 7.201 1.00 20.03 C ATOM 403 C THR A 25 12.035 -8.572 6.412 1.00 15.11 C ATOM 404 O THR A 25 12.556 -7.592 6.969 1.00 30.42 O ATOM 405 CB THR A 25 9.923 -8.835 7.765 1.00 11.33 C ATOM 406 OG1 THR A 25 9.305 -9.691 8.725 1.00 74.12 O ATOM 407 CG2 THR A 25 8.925 -8.546 6.639 1.00 51.01 C ATOM 0 H THR A 25 12.102 -9.463 9.065 1.00 32.11 H new ATOM 0 HA THR A 25 10.826 -10.332 6.530 1.00 20.03 H new ATOM 0 HB THR A 25 10.221 -7.895 8.229 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.512 -9.249 9.095 1.00 74.12 H new ATOM 0 HG21 THR A 25 8.049 -8.044 7.049 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.394 -7.905 5.893 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.621 -9.483 6.173 1.00 51.01 H new ATOM 415 N VAL A 26 12.270 -8.897 5.152 1.00 24.42 N ATOM 416 CA VAL A 26 13.171 -8.129 4.297 1.00 0.53 C ATOM 417 C VAL A 26 12.760 -8.262 2.844 1.00 14.44 C ATOM 418 O VAL A 26 11.734 -8.842 2.543 1.00 61.52 O ATOM 419 CB VAL A 26 14.621 -8.604 4.475 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.164 -8.117 5.815 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.676 -10.134 4.434 1.00 64.00 C ATOM 0 H VAL A 26 11.844 -9.700 4.689 1.00 24.42 H new ATOM 0 HA VAL A 26 13.108 -7.081 4.589 1.00 0.53 H new ATOM 0 HB VAL A 26 15.228 -8.197 3.666 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.193 -8.457 5.936 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.136 -7.028 5.845 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.552 -8.518 6.623 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.707 -10.465 4.561 1.00 64.00 H new ATOM 0 HG22 VAL A 26 14.063 -10.542 5.238 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.298 -10.486 3.474 1.00 64.00 H new ATOM 431 N ARG A 27 13.612 -7.800 1.952 1.00 33.21 N ATOM 432 CA ARG A 27 13.387 -7.940 0.525 1.00 4.21 C ATOM 433 C ARG A 27 14.392 -8.939 -0.054 1.00 3.32 C ATOM 434 O ARG A 27 15.504 -9.050 0.455 1.00 72.11 O ATOM 435 CB ARG A 27 13.532 -6.572 -0.167 1.00 30.33 C ATOM 436 CG ARG A 27 14.795 -5.839 0.351 1.00 13.41 C ATOM 437 CD ARG A 27 14.512 -5.126 1.697 1.00 0.42 C ATOM 438 NE ARG A 27 13.114 -4.698 1.798 1.00 5.44 N ATOM 439 CZ ARG A 27 12.675 -3.585 1.204 1.00 52.45 C ATOM 440 NH1 ARG A 27 13.509 -2.834 0.533 1.00 55.30 N ATOM 441 NH2 ARG A 27 11.423 -3.248 1.301 1.00 23.52 N ATOM 0 H ARG A 27 14.478 -7.318 2.193 1.00 33.21 H new ATOM 0 HA ARG A 27 12.377 -8.311 0.351 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.599 -6.708 -1.246 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.647 -5.965 0.023 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.608 -6.554 0.478 1.00 13.41 H new ATOM 0 HG3 ARG A 27 15.125 -5.109 -0.388 1.00 13.41 H new ATOM 0 HD2 ARG A 27 14.748 -5.798 2.522 1.00 0.42 H new ATOM 0 HD3 ARG A 27 15.166 -4.260 1.795 1.00 0.42 H new ATOM 0 HE ARG A 27 12.459 -5.265 2.336 1.00 5.44 H new ATOM 0 HH11 ARG A 27 14.492 -3.099 0.464 1.00 55.30 H new ATOM 0 HH12 ARG A 27 13.177 -1.984 0.078 1.00 55.30 H new ATOM 0 HH21 ARG A 27 10.777 -3.833 1.830 1.00 23.52 H new ATOM 0 HH22 ARG A 27 11.087 -2.398 0.848 1.00 23.52 H new ATOM 455 N PRO A 28 14.066 -9.607 -1.135 1.00 70.42 N ATOM 456 CA PRO A 28 15.007 -10.589 -1.784 1.00 2.44 C ATOM 457 C PRO A 28 16.326 -9.911 -2.128 1.00 10.52 C ATOM 458 O PRO A 28 17.377 -10.559 -2.232 1.00 73.22 O ATOM 459 CB PRO A 28 14.270 -10.988 -3.071 1.00 63.31 C ATOM 460 CG PRO A 28 12.828 -10.731 -2.785 1.00 53.01 C ATOM 461 CD PRO A 28 12.783 -9.515 -1.859 1.00 50.41 C ATOM 0 HA PRO A 28 15.248 -11.437 -1.143 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.615 -10.400 -3.922 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.443 -12.036 -3.316 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.277 -10.539 -3.706 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.365 -11.597 -2.312 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.700 -8.583 -2.419 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.932 -9.555 -1.180 1.00 50.41 H new ATOM 469 N ASP A 29 16.237 -8.607 -2.318 1.00 21.24 N ATOM 470 CA ASP A 29 17.362 -7.757 -2.670 1.00 42.34 C ATOM 471 C ASP A 29 18.373 -7.706 -1.529 1.00 22.22 C ATOM 472 O ASP A 29 19.552 -7.400 -1.737 1.00 73.13 O ATOM 473 CB ASP A 29 16.854 -6.342 -2.986 1.00 0.01 C ATOM 474 CG ASP A 29 17.911 -5.553 -3.715 1.00 62.22 C ATOM 475 OD1 ASP A 29 18.209 -5.894 -4.837 1.00 21.43 O ATOM 476 OD2 ASP A 29 18.400 -4.605 -3.160 1.00 43.24 O ATOM 0 H ASP A 29 15.359 -8.096 -2.230 1.00 21.24 H new ATOM 0 HA ASP A 29 17.857 -8.171 -3.549 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.951 -6.401 -3.594 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.583 -5.831 -2.062 1.00 0.01 H new ATOM 481 N MET A 30 17.887 -7.945 -0.317 1.00 31.25 N ATOM 482 CA MET A 30 18.696 -7.894 0.870 1.00 25.12 C ATOM 483 C MET A 30 19.934 -8.766 0.742 1.00 64.13 C ATOM 484 O MET A 30 19.917 -9.808 0.083 1.00 62.13 O ATOM 485 CB MET A 30 17.844 -8.325 2.060 1.00 2.42 C ATOM 486 CG MET A 30 18.720 -8.737 3.217 1.00 11.34 C ATOM 487 SD MET A 30 19.769 -7.353 3.681 1.00 52.43 S ATOM 488 CE MET A 30 19.034 -7.081 5.285 1.00 61.23 C ATOM 0 H MET A 30 16.910 -8.181 -0.141 1.00 31.25 H new ATOM 0 HA MET A 30 19.047 -6.873 1.019 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.192 -7.506 2.364 1.00 2.42 H new ATOM 0 HB3 MET A 30 17.199 -9.155 1.771 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.106 -9.044 4.063 1.00 11.34 H new ATOM 0 HG3 MET A 30 19.331 -9.596 2.939 1.00 11.34 H new ATOM 0 HE1 MET A 30 19.764 -6.611 5.945 1.00 61.23 H new ATOM 0 HE2 MET A 30 18.166 -6.430 5.182 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.723 -8.036 5.709 1.00 61.23 H new ATOM 498 N THR A 31 20.988 -8.321 1.391 1.00 12.23 N ATOM 499 CA THR A 31 22.268 -8.984 1.401 1.00 31.41 C ATOM 500 C THR A 31 22.463 -9.741 2.721 1.00 44.04 C ATOM 501 O THR A 31 21.994 -9.301 3.773 1.00 12.01 O ATOM 502 CB THR A 31 23.352 -7.919 1.234 1.00 25.42 C ATOM 503 OG1 THR A 31 23.358 -7.437 -0.109 1.00 20.13 O ATOM 504 CG2 THR A 31 24.710 -8.489 1.595 1.00 40.23 C ATOM 0 H THR A 31 20.975 -7.462 1.942 1.00 12.23 H new ATOM 0 HA THR A 31 22.325 -9.708 0.588 1.00 31.41 H new ATOM 0 HB THR A 31 23.136 -7.088 1.906 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.054 -6.754 -0.208 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.472 -7.720 1.471 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.699 -8.826 2.632 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.936 -9.332 0.942 1.00 40.23 H new ATOM 512 N VAL A 32 23.154 -10.876 2.666 1.00 60.15 N ATOM 513 CA VAL A 32 23.361 -11.693 3.859 1.00 10.31 C ATOM 514 C VAL A 32 24.108 -10.898 4.937 1.00 54.12 C ATOM 515 O VAL A 32 23.707 -10.880 6.105 1.00 54.33 O ATOM 516 CB VAL A 32 24.146 -12.963 3.493 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.416 -13.798 4.753 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.356 -13.791 2.473 1.00 24.05 C ATOM 0 H VAL A 32 23.577 -11.249 1.816 1.00 60.15 H new ATOM 0 HA VAL A 32 22.388 -11.979 4.259 1.00 10.31 H new ATOM 0 HB VAL A 32 25.100 -12.674 3.052 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.973 -14.695 4.482 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.999 -13.209 5.462 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.469 -14.083 5.211 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.919 -14.689 2.219 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.394 -14.075 2.901 1.00 24.05 H new ATOM 0 HG23 VAL A 32 23.192 -13.199 1.573 1.00 24.05 H new ATOM 528 N ALA A 33 25.171 -10.218 4.545 1.00 53.45 N ATOM 529 CA ALA A 33 25.935 -9.419 5.496 1.00 55.04 C ATOM 530 C ALA A 33 25.029 -8.398 6.177 1.00 52.23 C ATOM 531 O ALA A 33 24.980 -8.320 7.407 1.00 54.14 O ATOM 532 CB ALA A 33 27.088 -8.710 4.792 1.00 50.32 C ATOM 0 H ALA A 33 25.524 -10.200 3.588 1.00 53.45 H new ATOM 0 HA ALA A 33 26.347 -10.085 6.254 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.648 -8.118 5.516 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.749 -9.450 4.340 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.693 -8.055 4.016 1.00 50.32 H new ATOM 538 N SER A 34 24.237 -7.709 5.376 1.00 20.42 N ATOM 539 CA SER A 34 23.244 -6.781 5.886 1.00 42.23 C ATOM 540 C SER A 34 22.237 -7.533 6.748 1.00 51.41 C ATOM 541 O SER A 34 21.796 -7.051 7.795 1.00 74.05 O ATOM 542 CB SER A 34 22.528 -6.083 4.731 1.00 22.13 C ATOM 543 OG SER A 34 23.487 -5.517 3.827 1.00 22.31 O ATOM 0 H SER A 34 24.263 -7.776 4.359 1.00 20.42 H new ATOM 0 HA SER A 34 23.742 -6.025 6.492 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.894 -6.795 4.202 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.875 -5.301 5.117 1.00 22.13 H new ATOM 0 HG SER A 34 23.019 -5.073 3.089 1.00 22.31 H new ATOM 549 N LEU A 35 21.891 -8.730 6.301 1.00 42.51 N ATOM 550 CA LEU A 35 20.946 -9.571 7.008 1.00 60.21 C ATOM 551 C LEU A 35 21.473 -9.910 8.387 1.00 12.50 C ATOM 552 O LEU A 35 20.742 -9.802 9.382 1.00 51.11 O ATOM 553 CB LEU A 35 20.649 -10.841 6.198 1.00 20.44 C ATOM 554 CG LEU A 35 19.667 -11.742 6.954 1.00 63.51 C ATOM 555 CD1 LEU A 35 18.394 -10.970 7.265 1.00 4.13 C ATOM 556 CD2 LEU A 35 19.315 -12.934 6.077 1.00 72.44 C ATOM 0 H LEU A 35 22.257 -9.142 5.442 1.00 42.51 H new ATOM 0 HA LEU A 35 20.010 -9.025 7.130 1.00 60.21 H new ATOM 0 HB2 LEU A 35 20.231 -10.571 5.228 1.00 20.44 H new ATOM 0 HB3 LEU A 35 21.575 -11.383 6.007 1.00 20.44 H new ATOM 0 HG LEU A 35 20.126 -12.077 7.884 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.699 -11.615 7.803 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.635 -10.104 7.881 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.934 -10.637 6.335 1.00 4.13 H new ATOM 0 HD21 LEU A 35 18.616 -13.582 6.607 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.855 -12.583 5.153 1.00 72.44 H new ATOM 0 HD23 LEU A 35 20.221 -13.493 5.842 1.00 72.44 H new ATOM 568 N LYS A 36 22.760 -10.220 8.474 1.00 34.21 N ATOM 569 CA LYS A 36 23.353 -10.468 9.779 1.00 44.21 C ATOM 570 C LYS A 36 23.196 -9.241 10.650 1.00 31.00 C ATOM 571 O LYS A 36 22.950 -9.346 11.864 1.00 33.33 O ATOM 572 CB LYS A 36 24.856 -10.756 9.687 1.00 43.15 C ATOM 573 CG LYS A 36 25.167 -12.119 9.072 1.00 4.03 C ATOM 574 CD LYS A 36 26.693 -12.308 9.139 1.00 65.42 C ATOM 575 CE LYS A 36 27.104 -13.691 8.624 1.00 65.21 C ATOM 576 NZ LYS A 36 28.469 -14.007 9.127 1.00 35.45 N ATOM 0 H LYS A 36 23.397 -10.304 7.681 1.00 34.21 H new ATOM 0 HA LYS A 36 22.841 -11.335 10.196 1.00 44.21 H new ATOM 0 HB2 LYS A 36 25.333 -9.978 9.092 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.291 -10.706 10.685 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.656 -12.913 9.617 1.00 4.03 H new ATOM 0 HG3 LYS A 36 24.818 -12.165 8.040 1.00 4.03 H new ATOM 0 HD2 LYS A 36 27.184 -11.536 8.546 1.00 65.42 H new ATOM 0 HD3 LYS A 36 27.032 -12.185 10.167 1.00 65.42 H new ATOM 0 HE2 LYS A 36 26.394 -14.445 8.962 1.00 65.21 H new ATOM 0 HE3 LYS A 36 27.091 -13.707 7.534 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 29.037 -14.415 8.357 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 28.924 -13.136 9.468 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 28.402 -14.691 9.908 1.00 35.45 H new ATOM 590 N ASP A 37 23.417 -8.080 10.057 1.00 21.40 N ATOM 591 CA ASP A 37 23.384 -6.853 10.820 1.00 31.33 C ATOM 592 C ASP A 37 22.023 -6.620 11.431 1.00 3.04 C ATOM 593 O ASP A 37 21.927 -6.349 12.619 1.00 73.14 O ATOM 594 CB ASP A 37 23.808 -5.640 9.969 1.00 1.34 C ATOM 595 CG ASP A 37 25.314 -5.636 9.730 1.00 74.31 C ATOM 596 OD1 ASP A 37 26.025 -6.303 10.456 1.00 11.04 O ATOM 597 OD2 ASP A 37 25.742 -4.958 8.825 1.00 52.50 O ATOM 0 H ASP A 37 23.618 -7.965 9.064 1.00 21.40 H new ATOM 0 HA ASP A 37 24.106 -6.964 11.629 1.00 31.33 H new ATOM 0 HB2 ASP A 37 23.285 -5.662 9.013 1.00 1.34 H new ATOM 0 HB3 ASP A 37 23.514 -4.719 10.472 1.00 1.34 H new ATOM 602 N MET A 38 20.954 -6.833 10.667 1.00 34.44 N ATOM 603 CA MET A 38 19.624 -6.625 11.229 1.00 41.13 C ATOM 604 C MET A 38 19.434 -7.568 12.381 1.00 34.34 C ATOM 605 O MET A 38 18.924 -7.191 13.425 1.00 71.22 O ATOM 606 CB MET A 38 18.505 -6.886 10.239 1.00 41.21 C ATOM 607 CG MET A 38 18.973 -6.757 8.800 1.00 23.15 C ATOM 608 SD MET A 38 17.524 -6.918 7.722 1.00 32.15 S ATOM 609 CE MET A 38 16.904 -8.492 8.388 1.00 74.35 C ATOM 0 H MET A 38 20.978 -7.138 9.694 1.00 34.44 H new ATOM 0 HA MET A 38 19.571 -5.578 11.529 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.104 -7.887 10.401 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.691 -6.184 10.419 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.460 -5.795 8.643 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.708 -7.528 8.568 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.628 -9.152 7.565 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.682 -8.965 8.987 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.030 -8.304 9.011 1.00 74.35 H new ATOM 619 N VAL A 39 19.895 -8.789 12.197 1.00 14.41 N ATOM 620 CA VAL A 39 19.810 -9.782 13.240 1.00 25.32 C ATOM 621 C VAL A 39 20.566 -9.255 14.442 1.00 51.44 C ATOM 622 O VAL A 39 20.073 -9.286 15.572 1.00 21.33 O ATOM 623 CB VAL A 39 20.401 -11.126 12.766 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.431 -12.134 13.921 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.551 -11.693 11.624 1.00 65.31 C ATOM 0 H VAL A 39 20.331 -9.114 11.334 1.00 14.41 H new ATOM 0 HA VAL A 39 18.768 -9.965 13.502 1.00 25.32 H new ATOM 0 HB VAL A 39 21.419 -10.953 12.417 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.851 -13.077 13.570 1.00 41.14 H new ATOM 0 HG12 VAL A 39 21.047 -11.742 14.730 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.417 -12.301 14.285 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.973 -12.642 11.293 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.531 -11.852 11.974 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.544 -10.989 10.792 1.00 65.31 H new ATOM 635 N PHE A 40 21.717 -8.678 14.178 1.00 3.12 N ATOM 636 CA PHE A 40 22.481 -8.032 15.211 1.00 33.42 C ATOM 637 C PHE A 40 21.679 -6.890 15.800 1.00 2.10 C ATOM 638 O PHE A 40 21.610 -6.740 17.018 1.00 42.22 O ATOM 639 CB PHE A 40 23.829 -7.547 14.664 1.00 31.43 C ATOM 640 CG PHE A 40 24.618 -6.832 15.742 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.994 -7.511 16.903 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.970 -5.492 15.576 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.727 -6.855 17.895 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.705 -4.834 16.568 1.00 33.14 C ATOM 645 CZ PHE A 40 26.084 -5.515 17.728 1.00 34.32 C ATOM 0 H PHE A 40 22.142 -8.645 13.251 1.00 3.12 H new ATOM 0 HA PHE A 40 22.691 -8.750 16.004 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.402 -8.395 14.289 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.665 -6.876 13.821 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.717 -8.547 17.034 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.675 -4.963 14.682 1.00 43.21 H new ATOM 0 HE1 PHE A 40 26.018 -7.384 18.791 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.980 -3.798 16.437 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.651 -5.006 18.493 1.00 34.32 H new ATOM 655 N LEU A 41 21.067 -6.081 14.942 1.00 22.50 N ATOM 656 CA LEU A 41 20.277 -4.952 15.430 1.00 60.20 C ATOM 657 C LEU A 41 19.129 -5.485 16.248 1.00 62.30 C ATOM 658 O LEU A 41 18.738 -4.906 17.257 1.00 2.04 O ATOM 659 CB LEU A 41 19.640 -4.192 14.252 1.00 64.43 C ATOM 660 CG LEU A 41 20.708 -3.635 13.324 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.057 -2.904 12.149 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.661 -2.721 14.074 1.00 2.24 C ATOM 0 H LEU A 41 21.099 -6.180 13.927 1.00 22.50 H new ATOM 0 HA LEU A 41 20.933 -4.298 16.005 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.982 -4.860 13.696 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.022 -3.378 14.631 1.00 64.43 H new ATOM 0 HG LEU A 41 21.292 -4.468 12.932 1.00 14.35 H new ATOM 0 HD11 LEU A 41 20.832 -2.510 11.492 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.428 -3.598 11.592 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.447 -2.082 12.525 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.414 -2.337 13.386 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.104 -1.888 14.504 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.150 -3.281 14.872 1.00 2.24 H new ATOM 674 N ASP A 42 18.497 -6.504 15.703 1.00 3.40 N ATOM 675 CA ASP A 42 17.269 -7.039 16.277 1.00 20.53 C ATOM 676 C ASP A 42 17.518 -7.925 17.487 1.00 55.41 C ATOM 677 O ASP A 42 16.763 -7.877 18.464 1.00 3.34 O ATOM 678 CB ASP A 42 16.448 -7.792 15.229 1.00 22.22 C ATOM 679 CG ASP A 42 15.020 -7.934 15.705 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.375 -6.923 15.865 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.583 -9.038 15.901 1.00 72.43 O ATOM 0 H ASP A 42 18.811 -6.984 14.859 1.00 3.40 H new ATOM 0 HA ASP A 42 16.697 -6.177 16.622 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.473 -7.257 14.280 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.882 -8.776 15.052 1.00 22.22 H new ATOM 686 N TYR A 43 18.496 -8.819 17.379 1.00 32.23 N ATOM 687 CA TYR A 43 18.741 -9.807 18.434 1.00 3.43 C ATOM 688 C TYR A 43 20.051 -9.550 19.166 1.00 54.44 C ATOM 689 O TYR A 43 20.359 -10.229 20.143 1.00 52.22 O ATOM 690 CB TYR A 43 18.773 -11.219 17.833 1.00 12.45 C ATOM 691 CG TYR A 43 17.476 -11.499 17.110 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.358 -11.965 17.811 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.399 -11.293 15.732 1.00 13.44 C ATOM 694 CE1 TYR A 43 15.163 -12.219 17.123 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.210 -11.548 15.048 1.00 50.22 C ATOM 696 CZ TYR A 43 15.094 -12.011 15.740 1.00 33.42 C ATOM 697 OH TYR A 43 13.921 -12.257 15.055 1.00 11.32 O ATOM 0 H TYR A 43 19.128 -8.883 16.581 1.00 32.23 H new ATOM 0 HA TYR A 43 17.926 -9.719 19.153 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.612 -11.311 17.143 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.927 -11.956 18.621 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.415 -12.128 18.877 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.263 -10.935 15.193 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.296 -12.575 17.660 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.155 -11.386 13.982 1.00 50.22 H new ATOM 0 HH TYR A 43 14.050 -12.059 14.104 1.00 11.32 H new ATOM 707 N GLY A 44 20.829 -8.591 18.698 1.00 13.32 N ATOM 708 CA GLY A 44 22.103 -8.285 19.337 1.00 51.52 C ATOM 709 C GLY A 44 23.117 -9.388 19.084 1.00 41.34 C ATOM 710 O GLY A 44 24.138 -9.463 19.758 1.00 41.15 O ATOM 0 H GLY A 44 20.608 -8.014 17.887 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.487 -7.339 18.956 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.955 -8.161 20.410 1.00 51.52 H new ATOM 714 N PHE A 45 22.835 -10.241 18.105 1.00 73.22 N ATOM 715 CA PHE A 45 23.738 -11.343 17.763 1.00 0.40 C ATOM 716 C PHE A 45 24.866 -10.826 16.886 1.00 12.32 C ATOM 717 O PHE A 45 24.630 -10.476 15.725 1.00 44.25 O ATOM 718 CB PHE A 45 22.981 -12.441 16.997 1.00 13.01 C ATOM 719 CG PHE A 45 21.944 -13.136 17.874 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.654 -12.671 19.171 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.269 -14.260 17.375 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.695 -13.325 19.950 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.310 -14.914 18.158 1.00 74.25 C ATOM 724 CZ PHE A 45 20.023 -14.447 19.444 1.00 11.12 C ATOM 0 H PHE A 45 21.991 -10.194 17.533 1.00 73.22 H new ATOM 0 HA PHE A 45 24.140 -11.758 18.687 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.488 -12.004 16.129 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.692 -13.178 16.622 1.00 13.01 H new ATOM 0 HD1 PHE A 45 22.173 -11.809 19.564 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.490 -14.623 16.382 1.00 43.54 H new ATOM 0 HE1 PHE A 45 20.471 -12.965 20.943 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.793 -15.778 17.769 1.00 74.25 H new ATOM 0 HZ PHE A 45 19.283 -14.951 20.048 1.00 11.12 H new ATOM 734 N PRO A 46 26.064 -10.690 17.410 1.00 33.44 N ATOM 735 CA PRO A 46 27.200 -10.118 16.633 1.00 1.25 C ATOM 736 C PRO A 46 27.422 -10.893 15.325 1.00 72.23 C ATOM 737 O PRO A 46 27.381 -12.126 15.310 1.00 63.41 O ATOM 738 CB PRO A 46 28.405 -10.238 17.584 1.00 45.41 C ATOM 739 CG PRO A 46 27.983 -11.204 18.651 1.00 3.22 C ATOM 740 CD PRO A 46 26.472 -11.060 18.781 1.00 61.54 C ATOM 0 HA PRO A 46 27.024 -9.087 16.326 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.287 -10.599 17.055 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.664 -9.270 18.012 1.00 45.41 H new ATOM 0 HG2 PRO A 46 28.255 -12.225 18.382 1.00 3.22 H new ATOM 0 HG3 PRO A 46 28.478 -10.981 19.596 1.00 3.22 H new ATOM 0 HD2 PRO A 46 26.003 -11.988 19.107 1.00 61.54 H new ATOM 0 HD3 PRO A 46 26.199 -10.293 19.506 1.00 61.54 H new ATOM 748 N PRO A 47 27.582 -10.198 14.223 1.00 24.43 N ATOM 749 CA PRO A 47 27.693 -10.844 12.878 1.00 3.35 C ATOM 750 C PRO A 47 28.866 -11.812 12.800 1.00 32.23 C ATOM 751 O PRO A 47 28.785 -12.843 12.128 1.00 60.40 O ATOM 752 CB PRO A 47 27.868 -9.660 11.915 1.00 22.12 C ATOM 753 CG PRO A 47 28.344 -8.533 12.773 1.00 61.03 C ATOM 754 CD PRO A 47 27.678 -8.731 14.131 1.00 72.21 C ATOM 0 HA PRO A 47 26.821 -11.454 12.640 1.00 3.35 H new ATOM 0 HB2 PRO A 47 28.589 -9.892 11.131 1.00 22.12 H new ATOM 0 HB3 PRO A 47 26.929 -9.411 11.421 1.00 22.12 H new ATOM 0 HG2 PRO A 47 29.430 -8.544 12.865 1.00 61.03 H new ATOM 0 HG3 PRO A 47 28.071 -7.570 12.341 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.274 -8.311 14.941 1.00 72.21 H new ATOM 0 HD3 PRO A 47 26.698 -8.256 14.176 1.00 72.21 H new ATOM 762 N VAL A 48 29.897 -11.539 13.579 1.00 2.22 N ATOM 763 CA VAL A 48 31.025 -12.452 13.686 1.00 3.34 C ATOM 764 C VAL A 48 30.542 -13.784 14.238 1.00 13.44 C ATOM 765 O VAL A 48 30.907 -14.852 13.740 1.00 24.32 O ATOM 766 CB VAL A 48 32.144 -11.850 14.580 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.539 -11.161 15.808 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.099 -12.961 15.055 1.00 41.53 C ATOM 0 H VAL A 48 29.978 -10.695 14.146 1.00 2.22 H new ATOM 0 HA VAL A 48 31.452 -12.611 12.696 1.00 3.34 H new ATOM 0 HB VAL A 48 32.693 -11.118 13.987 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.338 -10.745 16.422 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.875 -10.359 15.485 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.973 -11.888 16.391 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.879 -12.527 15.681 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.541 -13.699 15.631 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.554 -13.444 14.190 1.00 41.53 H new ATOM 778 N LEU A 49 29.703 -13.707 15.259 1.00 54.44 N ATOM 779 CA LEU A 49 29.137 -14.884 15.881 1.00 52.43 C ATOM 780 C LEU A 49 28.134 -15.550 14.963 1.00 2.01 C ATOM 781 O LEU A 49 28.013 -16.777 14.955 1.00 62.52 O ATOM 782 CB LEU A 49 28.475 -14.531 17.211 1.00 62.41 C ATOM 783 CG LEU A 49 29.543 -14.476 18.323 1.00 55.31 C ATOM 784 CD1 LEU A 49 30.534 -13.339 18.065 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.876 -14.276 19.687 1.00 21.42 C ATOM 0 H LEU A 49 29.399 -12.827 15.676 1.00 54.44 H new ATOM 0 HA LEU A 49 29.951 -15.583 16.072 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.968 -13.569 17.132 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.716 -15.273 17.459 1.00 62.41 H new ATOM 0 HG LEU A 49 30.085 -15.422 18.322 1.00 55.31 H new ATOM 0 HD11 LEU A 49 31.279 -13.318 18.861 1.00 45.40 H new ATOM 0 HD12 LEU A 49 31.030 -13.499 17.108 1.00 45.40 H new ATOM 0 HD13 LEU A 49 30.000 -12.389 18.042 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.640 -14.239 20.464 1.00 21.42 H new ATOM 0 HD22 LEU A 49 28.315 -13.341 19.684 1.00 21.42 H new ATOM 0 HD23 LEU A 49 28.197 -15.105 19.885 1.00 21.42 H new ATOM 797 N GLN A 50 27.382 -14.742 14.220 1.00 62.55 N ATOM 798 CA GLN A 50 26.365 -15.288 13.331 1.00 24.52 C ATOM 799 C GLN A 50 27.007 -16.083 12.204 1.00 43.40 C ATOM 800 O GLN A 50 27.496 -15.501 11.218 1.00 65.42 O ATOM 801 CB GLN A 50 25.520 -14.176 12.704 1.00 53.50 C ATOM 802 CG GLN A 50 24.667 -13.460 13.751 1.00 42.03 C ATOM 803 CD GLN A 50 23.809 -12.419 13.042 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.167 -12.737 12.034 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.761 -11.203 13.488 1.00 23.53 N ATOM 0 H GLN A 50 27.456 -13.725 14.216 1.00 62.55 H new ATOM 0 HA GLN A 50 25.729 -15.935 13.935 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.173 -13.456 12.211 1.00 53.50 H new ATOM 0 HB3 GLN A 50 24.874 -14.599 11.935 1.00 53.50 H new ATOM 0 HG2 GLN A 50 24.036 -14.175 14.280 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.303 -12.983 14.497 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.292 -10.943 14.320 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.193 -10.506 13.007 1.00 23.53 H new ATOM 814 N GLN A 51 26.840 -17.393 12.252 1.00 50.00 N ATOM 815 CA GLN A 51 27.258 -18.235 11.148 1.00 5.12 C ATOM 816 C GLN A 51 26.028 -18.626 10.355 1.00 24.14 C ATOM 817 O GLN A 51 25.223 -19.437 10.817 1.00 52.33 O ATOM 818 CB GLN A 51 27.949 -19.505 11.651 1.00 32.34 C ATOM 819 CG GLN A 51 28.806 -19.208 12.890 1.00 40.52 C ATOM 820 CD GLN A 51 29.824 -18.117 12.593 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.483 -18.142 11.549 1.00 2.14 O ATOM 822 NE2 GLN A 51 29.983 -17.158 13.440 1.00 64.45 N ATOM 0 H GLN A 51 26.421 -17.892 13.037 1.00 50.00 H new ATOM 0 HA GLN A 51 27.966 -17.682 10.530 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.201 -20.259 11.894 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.575 -19.920 10.861 1.00 32.34 H new ATOM 0 HG2 GLN A 51 28.165 -18.899 13.716 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.320 -20.115 13.208 1.00 40.52 H new ATOM 0 HE21 GLN A 51 29.436 -17.142 14.301 1.00 64.45 H new ATOM 0 HE22 GLN A 51 30.656 -16.415 13.249 1.00 64.45 H new ATOM 831 N TRP A 52 25.852 -18.022 9.201 1.00 42.04 N ATOM 832 CA TRP A 52 24.687 -18.297 8.373 1.00 31.04 C ATOM 833 C TRP A 52 24.972 -19.457 7.442 1.00 72.42 C ATOM 834 O TRP A 52 25.664 -19.294 6.420 1.00 1.43 O ATOM 835 CB TRP A 52 24.309 -17.055 7.563 1.00 75.43 C ATOM 836 CG TRP A 52 23.451 -16.147 8.387 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.881 -15.381 9.421 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.031 -15.896 8.254 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.804 -14.669 9.923 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.642 -14.958 9.236 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.050 -16.387 7.379 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.326 -14.527 9.350 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.724 -15.954 7.487 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.363 -15.024 8.472 1.00 64.43 C ATOM 0 H TRP A 52 26.498 -17.336 8.810 1.00 42.04 H new ATOM 0 HA TRP A 52 23.851 -18.561 9.021 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.210 -16.529 7.247 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.777 -17.349 6.658 1.00 75.43 H new ATOM 0 HD1 TRP A 52 24.895 -15.334 9.791 1.00 33.04 H new ATOM 0 HE1 TRP A 52 22.862 -14.014 10.702 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.320 -17.104 6.617 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.051 -13.813 10.112 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.976 -16.338 6.809 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.338 -14.692 8.551 1.00 64.43 H new ATOM 855 N VAL A 53 24.406 -20.604 7.747 1.00 64.50 N ATOM 856 CA VAL A 53 24.582 -21.759 6.903 1.00 13.22 C ATOM 857 C VAL A 53 23.375 -21.918 6.002 1.00 24.40 C ATOM 858 O VAL A 53 22.255 -22.108 6.468 1.00 52.11 O ATOM 859 CB VAL A 53 24.758 -23.023 7.763 1.00 15.40 C ATOM 860 CG1 VAL A 53 25.203 -24.194 6.880 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.811 -22.777 8.856 1.00 70.32 C ATOM 0 H VAL A 53 23.823 -20.759 8.570 1.00 64.50 H new ATOM 0 HA VAL A 53 25.475 -21.620 6.293 1.00 13.22 H new ATOM 0 HB VAL A 53 23.804 -23.264 8.233 1.00 15.40 H new ATOM 0 HG11 VAL A 53 25.326 -25.086 7.494 1.00 70.32 H new ATOM 0 HG12 VAL A 53 24.449 -24.381 6.116 1.00 70.32 H new ATOM 0 HG13 VAL A 53 26.151 -23.949 6.402 1.00 70.32 H new ATOM 0 HG21 VAL A 53 25.927 -23.678 9.458 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.765 -22.525 8.392 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.488 -21.954 9.493 1.00 70.32 H new ATOM 871 N ILE A 54 23.624 -21.900 4.717 1.00 31.32 N ATOM 872 CA ILE A 54 22.599 -22.138 3.734 1.00 2.42 C ATOM 873 C ILE A 54 23.225 -22.910 2.587 1.00 55.44 C ATOM 874 O ILE A 54 24.261 -22.495 2.059 1.00 64.42 O ATOM 875 CB ILE A 54 22.008 -20.803 3.239 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.358 -20.049 4.409 1.00 70.55 C ATOM 877 CG2 ILE A 54 20.945 -21.058 2.166 1.00 73.52 C ATOM 878 CD1 ILE A 54 20.966 -18.638 3.955 1.00 33.44 C ATOM 0 H ILE A 54 24.547 -21.719 4.322 1.00 31.32 H new ATOM 0 HA ILE A 54 21.782 -22.714 4.169 1.00 2.42 H new ATOM 0 HB ILE A 54 22.817 -20.206 2.818 1.00 61.22 H new ATOM 0 HG12 ILE A 54 20.477 -20.588 4.758 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.051 -19.993 5.249 1.00 70.55 H new ATOM 0 HG21 ILE A 54 20.536 -20.107 1.826 1.00 73.52 H new ATOM 0 HG22 ILE A 54 21.397 -21.581 1.323 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.144 -21.668 2.585 1.00 73.52 H new ATOM 0 HD11 ILE A 54 20.505 -18.104 4.786 1.00 33.44 H new ATOM 0 HD12 ILE A 54 21.856 -18.101 3.627 1.00 33.44 H new ATOM 0 HD13 ILE A 54 20.258 -18.705 3.129 1.00 33.44 H new ATOM 890 N GLY A 55 22.623 -24.010 2.197 1.00 44.24 N ATOM 891 CA GLY A 55 23.170 -24.796 1.104 1.00 72.21 C ATOM 892 C GLY A 55 23.211 -23.961 -0.165 1.00 2.10 C ATOM 893 O GLY A 55 24.231 -23.902 -0.853 1.00 62.13 O ATOM 0 H GLY A 55 21.767 -24.381 2.610 1.00 44.24 H new ATOM 0 HA2 GLY A 55 24.174 -25.138 1.357 1.00 72.21 H new ATOM 0 HA3 GLY A 55 22.561 -25.686 0.944 1.00 72.21 H new ATOM 897 N GLN A 56 22.105 -23.294 -0.448 1.00 71.41 N ATOM 898 CA GLN A 56 21.980 -22.444 -1.634 1.00 61.53 C ATOM 899 C GLN A 56 22.903 -21.224 -1.584 1.00 71.41 C ATOM 900 O GLN A 56 23.348 -20.738 -2.624 1.00 14.44 O ATOM 901 CB GLN A 56 20.526 -21.996 -1.815 1.00 1.42 C ATOM 902 CG GLN A 56 19.663 -23.203 -2.194 1.00 54.32 C ATOM 903 CD GLN A 56 18.204 -22.781 -2.308 1.00 14.01 C ATOM 904 OE1 GLN A 56 17.775 -22.317 -3.362 1.00 34.33 O ATOM 905 NE2 GLN A 56 17.418 -22.911 -1.293 1.00 5.11 N ATOM 0 H GLN A 56 21.267 -23.322 0.132 1.00 71.41 H new ATOM 0 HA GLN A 56 22.288 -23.045 -2.490 1.00 61.53 H new ATOM 0 HB2 GLN A 56 20.156 -21.546 -0.894 1.00 1.42 H new ATOM 0 HB3 GLN A 56 20.463 -21.233 -2.591 1.00 1.42 H new ATOM 0 HG2 GLN A 56 20.004 -23.622 -3.140 1.00 54.32 H new ATOM 0 HG3 GLN A 56 19.767 -23.986 -1.443 1.00 54.32 H new ATOM 0 HE21 GLN A 56 17.774 -23.296 -0.418 1.00 5.11 H new ATOM 0 HE22 GLN A 56 16.441 -22.629 -1.365 1.00 5.11 H new ATOM 914 N ARG A 57 23.083 -20.656 -0.396 1.00 54.23 N ATOM 915 CA ARG A 57 23.830 -19.405 -0.266 1.00 14.45 C ATOM 916 C ARG A 57 25.267 -19.553 -0.735 1.00 42.21 C ATOM 917 O ARG A 57 25.955 -20.513 -0.382 1.00 54.43 O ATOM 918 CB ARG A 57 23.803 -18.866 1.178 1.00 41.54 C ATOM 919 CG ARG A 57 24.527 -17.509 1.225 1.00 32.25 C ATOM 920 CD ARG A 57 24.511 -16.918 2.644 1.00 32.13 C ATOM 921 NE ARG A 57 25.232 -17.771 3.601 1.00 22.13 N ATOM 922 CZ ARG A 57 26.566 -17.710 3.757 1.00 2.30 C ATOM 923 NH1 ARG A 57 27.295 -17.033 2.911 1.00 74.12 N ATOM 924 NH2 ARG A 57 27.136 -18.364 4.739 1.00 71.11 N ATOM 0 H ARG A 57 22.728 -21.034 0.482 1.00 54.23 H new ATOM 0 HA ARG A 57 23.330 -18.683 -0.911 1.00 14.45 H new ATOM 0 HB2 ARG A 57 22.773 -18.754 1.518 1.00 41.54 H new ATOM 0 HB3 ARG A 57 24.286 -19.573 1.852 1.00 41.54 H new ATOM 0 HG2 ARG A 57 25.557 -17.632 0.891 1.00 32.25 H new ATOM 0 HG3 ARG A 57 24.049 -16.815 0.534 1.00 32.25 H new ATOM 0 HD2 ARG A 57 24.963 -15.926 2.629 1.00 32.13 H new ATOM 0 HD3 ARG A 57 23.480 -16.793 2.974 1.00 32.13 H new ATOM 0 HE ARG A 57 24.701 -18.433 4.167 1.00 22.13 H new ATOM 0 HH11 ARG A 57 26.853 -16.549 2.130 1.00 74.12 H new ATOM 0 HH12 ARG A 57 28.307 -16.988 3.032 1.00 74.12 H new ATOM 0 HH21 ARG A 57 26.568 -18.917 5.381 1.00 71.11 H new ATOM 0 HH22 ARG A 57 28.148 -18.321 4.861 1.00 71.11 H new ATOM 938 N LEU A 58 25.735 -18.539 -1.446 1.00 65.05 N ATOM 939 CA LEU A 58 27.118 -18.466 -1.879 1.00 31.53 C ATOM 940 C LEU A 58 28.006 -18.227 -0.664 1.00 54.55 C ATOM 941 O LEU A 58 27.565 -17.658 0.339 1.00 13.21 O ATOM 942 CB LEU A 58 27.313 -17.311 -2.881 1.00 52.33 C ATOM 943 CG LEU A 58 26.371 -17.452 -4.104 1.00 32.24 C ATOM 944 CD1 LEU A 58 26.411 -18.874 -4.663 1.00 61.12 C ATOM 945 CD2 LEU A 58 24.934 -17.095 -3.719 1.00 55.40 C ATOM 0 H LEU A 58 25.166 -17.745 -1.738 1.00 65.05 H new ATOM 0 HA LEU A 58 27.385 -19.403 -2.367 1.00 31.53 H new ATOM 0 HB2 LEU A 58 27.124 -16.360 -2.383 1.00 52.33 H new ATOM 0 HB3 LEU A 58 28.349 -17.293 -3.219 1.00 52.33 H new ATOM 0 HG LEU A 58 26.719 -16.762 -4.873 1.00 32.24 H new ATOM 0 HD11 LEU A 58 25.742 -18.947 -5.520 1.00 61.12 H new ATOM 0 HD12 LEU A 58 27.428 -19.114 -4.975 1.00 61.12 H new ATOM 0 HD13 LEU A 58 26.092 -19.577 -3.893 1.00 61.12 H new ATOM 0 HD21 LEU A 58 24.287 -17.200 -4.590 1.00 55.40 H new ATOM 0 HD22 LEU A 58 24.592 -17.765 -2.930 1.00 55.40 H new ATOM 0 HD23 LEU A 58 24.898 -16.066 -3.362 1.00 55.40 H new ATOM 957 N ALA A 59 29.238 -18.660 -0.741 1.00 35.55 N ATOM 958 CA ALA A 59 30.152 -18.525 0.382 1.00 42.01 C ATOM 959 C ALA A 59 30.232 -17.077 0.870 1.00 65.22 C ATOM 960 O ALA A 59 30.549 -16.829 2.037 1.00 41.30 O ATOM 961 CB ALA A 59 31.546 -19.020 -0.006 1.00 11.31 C ATOM 0 H ALA A 59 29.638 -19.109 -1.565 1.00 35.55 H new ATOM 0 HA ALA A 59 29.765 -19.136 1.198 1.00 42.01 H new ATOM 0 HB1 ALA A 59 32.220 -18.913 0.844 1.00 11.31 H new ATOM 0 HB2 ALA A 59 31.492 -20.069 -0.296 1.00 11.31 H new ATOM 0 HB3 ALA A 59 31.921 -18.431 -0.843 1.00 11.31 H new ATOM 967 N ARG A 60 29.994 -16.135 -0.027 1.00 75.14 N ATOM 968 CA ARG A 60 30.095 -14.714 0.303 1.00 23.34 C ATOM 969 C ARG A 60 28.840 -14.188 1.014 1.00 54.11 C ATOM 970 O ARG A 60 27.713 -14.417 0.568 1.00 12.14 O ATOM 971 CB ARG A 60 30.422 -13.888 -0.964 1.00 30.40 C ATOM 972 CG ARG A 60 29.279 -13.992 -1.989 1.00 11.11 C ATOM 973 CD ARG A 60 29.749 -13.447 -3.359 1.00 21.13 C ATOM 974 NE ARG A 60 30.112 -12.026 -3.281 1.00 41.43 N ATOM 975 CZ ARG A 60 29.367 -11.051 -3.836 1.00 20.23 C ATOM 976 NH1 ARG A 60 28.263 -11.330 -4.471 1.00 64.24 N ATOM 977 NH2 ARG A 60 29.755 -9.815 -3.744 1.00 14.15 N ATOM 0 H ARG A 60 29.728 -16.324 -0.993 1.00 75.14 H new ATOM 0 HA ARG A 60 30.916 -14.598 1.010 1.00 23.34 H new ATOM 0 HB2 ARG A 60 30.581 -12.844 -0.693 1.00 30.40 H new ATOM 0 HB3 ARG A 60 31.350 -14.247 -1.409 1.00 30.40 H new ATOM 0 HG2 ARG A 60 28.963 -15.030 -2.090 1.00 11.11 H new ATOM 0 HG3 ARG A 60 28.414 -13.428 -1.641 1.00 11.11 H new ATOM 0 HD2 ARG A 60 30.607 -14.024 -3.705 1.00 21.13 H new ATOM 0 HD3 ARG A 60 28.957 -13.581 -4.095 1.00 21.13 H new ATOM 0 HE ARG A 60 30.965 -11.766 -2.785 1.00 41.43 H new ATOM 0 HH11 ARG A 60 27.952 -12.298 -4.553 1.00 64.24 H new ATOM 0 HH12 ARG A 60 27.710 -10.580 -4.886 1.00 64.24 H new ATOM 0 HH21 ARG A 60 30.620 -9.587 -3.253 1.00 14.15 H new ATOM 0 HH22 ARG A 60 29.195 -9.072 -4.162 1.00 14.15 H new ATOM 991 N ASP A 61 29.066 -13.399 2.067 1.00 5.24 N ATOM 992 CA ASP A 61 27.998 -12.722 2.826 1.00 62.30 C ATOM 993 C ASP A 61 27.391 -11.632 1.971 1.00 23.25 C ATOM 994 O ASP A 61 26.391 -11.001 2.339 1.00 41.02 O ATOM 995 CB ASP A 61 28.595 -12.056 4.078 1.00 4.03 C ATOM 996 CG ASP A 61 29.769 -11.159 3.684 1.00 13.24 C ATOM 997 OD1 ASP A 61 30.655 -11.638 3.000 1.00 33.05 O ATOM 998 OD2 ASP A 61 29.777 -10.014 4.075 1.00 24.14 O ATOM 0 H ASP A 61 30.002 -13.207 2.424 1.00 5.24 H new ATOM 0 HA ASP A 61 27.245 -13.458 3.108 1.00 62.30 H new ATOM 0 HB2 ASP A 61 27.831 -11.467 4.586 1.00 4.03 H new ATOM 0 HB3 ASP A 61 28.929 -12.819 4.781 1.00 4.03 H new ATOM 1003 N GLN A 62 28.103 -11.318 0.928 1.00 12.52 N ATOM 1004 CA GLN A 62 27.795 -10.221 0.045 1.00 34.33 C ATOM 1005 C GLN A 62 26.524 -10.503 -0.759 1.00 44.45 C ATOM 1006 O GLN A 62 25.837 -9.580 -1.174 1.00 1.43 O ATOM 1007 CB GLN A 62 28.987 -10.023 -0.888 1.00 0.02 C ATOM 1008 CG GLN A 62 30.208 -9.557 -0.068 1.00 25.23 C ATOM 1009 CD GLN A 62 31.469 -9.549 -0.936 1.00 11.12 C ATOM 1010 OE1 GLN A 62 31.415 -9.875 -2.121 1.00 1.45 O ATOM 1011 NE2 GLN A 62 32.606 -9.208 -0.413 1.00 15.21 N ATOM 0 H GLN A 62 28.941 -11.832 0.656 1.00 12.52 H new ATOM 0 HA GLN A 62 27.613 -9.317 0.626 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.217 -10.955 -1.405 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.746 -9.285 -1.653 1.00 0.02 H new ATOM 0 HG2 GLN A 62 30.027 -8.558 0.329 1.00 25.23 H new ATOM 0 HG3 GLN A 62 30.353 -10.218 0.787 1.00 25.23 H new ATOM 0 HE21 GLN A 62 32.655 -8.937 0.569 1.00 15.21 H new ATOM 0 HE22 GLN A 62 33.451 -9.211 -0.984 1.00 15.21 H new ATOM 1020 N GLU A 63 26.267 -11.777 -1.030 1.00 4.31 N ATOM 1021 CA GLU A 63 25.137 -12.189 -1.877 1.00 63.23 C ATOM 1022 C GLU A 63 23.767 -11.884 -1.269 1.00 22.23 C ATOM 1023 O GLU A 63 23.623 -11.723 -0.045 1.00 10.12 O ATOM 1024 CB GLU A 63 25.244 -13.674 -2.229 1.00 4.24 C ATOM 1025 CG GLU A 63 26.276 -13.862 -3.346 1.00 13.54 C ATOM 1026 CD GLU A 63 25.740 -13.354 -4.667 1.00 55.25 C ATOM 1027 OE1 GLU A 63 24.556 -13.495 -4.913 1.00 33.23 O ATOM 1028 OE2 GLU A 63 26.518 -12.829 -5.419 1.00 51.42 O ATOM 0 H GLU A 63 26.826 -12.553 -0.676 1.00 4.31 H new ATOM 0 HA GLU A 63 25.207 -11.589 -2.784 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.537 -14.247 -1.349 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.273 -14.054 -2.548 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.193 -13.330 -3.092 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.533 -14.917 -3.435 1.00 13.54 H new ATOM 1035 N THR A 64 22.774 -11.772 -2.155 1.00 35.12 N ATOM 1036 CA THR A 64 21.410 -11.441 -1.780 1.00 71.14 C ATOM 1037 C THR A 64 20.665 -12.627 -1.192 1.00 54.02 C ATOM 1038 O THR A 64 21.003 -13.783 -1.453 1.00 2.04 O ATOM 1039 CB THR A 64 20.630 -10.920 -2.996 1.00 71.33 C ATOM 1040 OG1 THR A 64 20.952 -11.690 -4.158 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.915 -9.443 -3.241 1.00 70.13 C ATOM 0 H THR A 64 22.902 -11.911 -3.157 1.00 35.12 H new ATOM 0 HA THR A 64 21.479 -10.668 -1.015 1.00 71.14 H new ATOM 0 HB THR A 64 19.566 -11.026 -2.786 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.341 -12.547 -3.885 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.349 -9.102 -4.108 1.00 70.13 H new ATOM 0 HG22 THR A 64 20.620 -8.865 -2.365 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.980 -9.304 -3.425 1.00 70.13 H new ATOM 1049 N LEU A 65 19.540 -12.336 -0.555 1.00 11.25 N ATOM 1050 CA LEU A 65 18.640 -13.383 -0.093 1.00 22.02 C ATOM 1051 C LEU A 65 18.110 -14.122 -1.302 1.00 11.33 C ATOM 1052 O LEU A 65 18.047 -15.352 -1.327 1.00 62.22 O ATOM 1053 CB LEU A 65 17.472 -12.794 0.692 1.00 34.52 C ATOM 1054 CG LEU A 65 17.993 -11.864 1.794 1.00 14.33 C ATOM 1055 CD1 LEU A 65 16.829 -11.392 2.649 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.030 -12.572 2.669 1.00 30.03 C ATOM 0 H LEU A 65 19.229 -11.387 -0.347 1.00 11.25 H new ATOM 0 HA LEU A 65 19.185 -14.058 0.566 1.00 22.02 H new ATOM 0 HB2 LEU A 65 16.814 -12.242 0.021 1.00 34.52 H new ATOM 0 HB3 LEU A 65 16.879 -13.595 1.132 1.00 34.52 H new ATOM 0 HG LEU A 65 18.477 -11.007 1.325 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.198 -10.731 3.433 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.115 -10.853 2.026 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.338 -12.253 3.102 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.382 -11.888 3.442 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.576 -13.446 3.137 1.00 30.03 H new ATOM 0 HD23 LEU A 65 19.872 -12.887 2.053 1.00 30.03 H new ATOM 1068 N HIS A 66 17.839 -13.363 -2.354 1.00 73.23 N ATOM 1069 CA HIS A 66 17.415 -13.942 -3.616 1.00 34.14 C ATOM 1070 C HIS A 66 18.433 -14.979 -4.048 1.00 10.32 C ATOM 1071 O HIS A 66 18.080 -16.021 -4.578 1.00 1.13 O ATOM 1072 CB HIS A 66 17.299 -12.860 -4.694 1.00 25.42 C ATOM 1073 CG HIS A 66 16.623 -13.422 -5.917 1.00 52.33 C ATOM 1074 ND1 HIS A 66 17.195 -14.428 -6.689 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.434 -13.109 -6.535 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.358 -14.674 -7.715 1.00 44.55 C ATOM 1077 NE2 HIS A 66 15.273 -13.897 -7.670 1.00 53.54 N ATOM 0 H HIS A 66 17.906 -12.345 -2.357 1.00 73.23 H new ATOM 0 HA HIS A 66 16.437 -14.406 -3.484 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.730 -12.013 -4.311 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.289 -12.487 -4.955 1.00 25.42 H new ATOM 0 HD2 HIS A 66 14.732 -12.364 -6.191 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.542 -15.411 -8.482 1.00 44.55 H new ATOM 0 HE2 HIS A 66 14.493 -13.884 -8.327 1.00 53.54 H new ATOM 1086 N SER A 67 19.698 -14.698 -3.790 1.00 14.51 N ATOM 1087 CA SER A 67 20.763 -15.629 -4.124 1.00 21.22 C ATOM 1088 C SER A 67 20.547 -16.955 -3.389 1.00 5.04 C ATOM 1089 O SER A 67 20.701 -18.026 -3.969 1.00 31.30 O ATOM 1090 CB SER A 67 22.110 -15.029 -3.753 1.00 53.23 C ATOM 1091 OG SER A 67 22.207 -13.716 -4.310 1.00 52.30 O ATOM 0 H SER A 67 20.013 -13.833 -3.351 1.00 14.51 H new ATOM 0 HA SER A 67 20.749 -15.819 -5.197 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.217 -14.986 -2.669 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.918 -15.657 -4.128 1.00 53.23 H new ATOM 0 HG SER A 67 22.981 -13.672 -4.910 1.00 52.30 H new ATOM 1097 N HIS A 68 20.059 -16.875 -2.155 1.00 71.23 N ATOM 1098 CA HIS A 68 19.676 -18.075 -1.405 1.00 44.15 C ATOM 1099 C HIS A 68 18.446 -18.693 -2.067 1.00 51.40 C ATOM 1100 O HIS A 68 18.153 -19.874 -1.891 1.00 71.43 O ATOM 1101 CB HIS A 68 19.415 -17.704 0.092 1.00 24.14 C ATOM 1102 CG HIS A 68 18.581 -18.744 0.850 1.00 33.13 C ATOM 1103 ND1 HIS A 68 18.287 -20.001 0.348 1.00 40.22 N ATOM 1104 CD2 HIS A 68 17.984 -18.700 2.091 1.00 74.41 C ATOM 1105 CE1 HIS A 68 17.556 -20.652 1.269 1.00 31.20 C ATOM 1106 NE2 HIS A 68 17.338 -19.908 2.348 1.00 62.11 N ATOM 0 H HIS A 68 19.918 -15.999 -1.652 1.00 71.23 H new ATOM 0 HA HIS A 68 20.480 -18.811 -1.419 1.00 44.15 H new ATOM 0 HB2 HIS A 68 20.372 -17.580 0.598 1.00 24.14 H new ATOM 0 HB3 HIS A 68 18.905 -16.742 0.135 1.00 24.14 H new ATOM 0 HD1 HIS A 68 18.574 -20.368 -0.559 1.00 40.22 H new ATOM 0 HD2 HIS A 68 18.012 -17.856 2.764 1.00 74.41 H new ATOM 0 HE1 HIS A 68 17.189 -21.660 1.147 1.00 31.20 H new ATOM 0 HE2 HIS A 68 16.812 -20.165 3.183 1.00 62.11 H new ATOM 1115 N GLY A 69 17.804 -17.920 -2.919 1.00 24.31 N ATOM 1116 CA GLY A 69 16.636 -18.383 -3.645 1.00 1.43 C ATOM 1117 C GLY A 69 15.383 -17.806 -3.025 1.00 24.22 C ATOM 1118 O GLY A 69 14.263 -18.145 -3.428 1.00 54.34 O ATOM 0 H GLY A 69 18.074 -16.959 -3.128 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.705 -18.085 -4.691 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.593 -19.472 -3.626 1.00 1.43 H new ATOM 1122 N VAL A 70 15.569 -16.919 -2.046 1.00 14.11 N ATOM 1123 CA VAL A 70 14.444 -16.310 -1.375 1.00 2.23 C ATOM 1124 C VAL A 70 13.833 -15.223 -2.254 1.00 63.41 C ATOM 1125 O VAL A 70 14.093 -14.033 -2.064 1.00 21.42 O ATOM 1126 CB VAL A 70 14.902 -15.702 -0.036 1.00 22.03 C ATOM 1127 CG1 VAL A 70 13.686 -15.325 0.815 1.00 73.22 C ATOM 1128 CG2 VAL A 70 15.763 -16.714 0.726 1.00 4.51 C ATOM 0 H VAL A 70 16.483 -16.615 -1.710 1.00 14.11 H new ATOM 0 HA VAL A 70 13.691 -17.074 -1.184 1.00 2.23 H new ATOM 0 HB VAL A 70 15.488 -14.806 -0.240 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.022 -14.896 1.759 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.080 -14.594 0.280 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.090 -16.216 1.013 1.00 73.22 H new ATOM 0 HG21 VAL A 70 16.084 -16.279 1.672 1.00 4.51 H new ATOM 0 HG22 VAL A 70 15.180 -17.614 0.920 1.00 4.51 H new ATOM 0 HG23 VAL A 70 16.638 -16.970 0.129 1.00 4.51 H new ATOM 1138 N ARG A 71 12.964 -15.637 -3.160 1.00 60.24 N ATOM 1139 CA ARG A 71 12.217 -14.698 -3.980 1.00 5.14 C ATOM 1140 C ARG A 71 11.139 -14.017 -3.159 1.00 73.44 C ATOM 1141 O ARG A 71 10.764 -12.873 -3.424 1.00 42.30 O ATOM 1142 CB ARG A 71 11.584 -15.403 -5.172 1.00 72.31 C ATOM 1143 CG ARG A 71 12.672 -15.880 -6.139 1.00 42.42 C ATOM 1144 CD ARG A 71 12.007 -16.659 -7.271 1.00 13.23 C ATOM 1145 NE ARG A 71 11.084 -15.795 -8.001 1.00 43.00 N ATOM 1146 CZ ARG A 71 9.938 -16.253 -8.527 1.00 42.14 C ATOM 1147 NH1 ARG A 71 9.625 -17.522 -8.419 1.00 15.55 N ATOM 1148 NH2 ARG A 71 9.141 -15.432 -9.149 1.00 31.11 N ATOM 0 H ARG A 71 12.758 -16.618 -3.347 1.00 60.24 H new ATOM 0 HA ARG A 71 12.915 -13.946 -4.348 1.00 5.14 H new ATOM 0 HB2 ARG A 71 10.992 -16.252 -4.830 1.00 72.31 H new ATOM 0 HB3 ARG A 71 10.902 -14.725 -5.685 1.00 72.31 H new ATOM 0 HG2 ARG A 71 13.224 -15.029 -6.538 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.392 -16.510 -5.618 1.00 42.42 H new ATOM 0 HD2 ARG A 71 12.766 -17.049 -7.949 1.00 13.23 H new ATOM 0 HD3 ARG A 71 11.471 -17.517 -6.866 1.00 13.23 H new ATOM 0 HE ARG A 71 11.319 -14.809 -8.115 1.00 43.00 H new ATOM 0 HH11 ARG A 71 10.253 -18.163 -7.934 1.00 15.55 H new ATOM 0 HH12 ARG A 71 8.753 -17.868 -8.820 1.00 15.55 H new ATOM 0 HH21 ARG A 71 9.389 -14.446 -9.234 1.00 31.11 H new ATOM 0 HH22 ARG A 71 8.268 -15.775 -9.551 1.00 31.11 H new ATOM 1162 N GLN A 72 10.525 -14.794 -2.278 1.00 22.33 N ATOM 1163 CA GLN A 72 9.367 -14.343 -1.529 1.00 11.22 C ATOM 1164 C GLN A 72 9.400 -14.850 -0.100 1.00 63.41 C ATOM 1165 O GLN A 72 10.261 -15.664 0.266 1.00 54.20 O ATOM 1166 CB GLN A 72 8.080 -14.810 -2.223 1.00 72.22 C ATOM 1167 CG GLN A 72 7.966 -16.339 -2.151 1.00 11.44 C ATOM 1168 CD GLN A 72 6.908 -16.812 -3.127 1.00 64.24 C ATOM 1169 OE1 GLN A 72 5.711 -16.731 -2.838 1.00 55.53 O ATOM 1170 NE2 GLN A 72 7.269 -17.304 -4.266 1.00 55.43 N ATOM 0 H GLN A 72 10.815 -15.748 -2.065 1.00 22.33 H new ATOM 0 HA GLN A 72 9.388 -13.254 -1.499 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.214 -14.350 -1.747 1.00 72.22 H new ATOM 0 HB3 GLN A 72 8.081 -14.486 -3.264 1.00 72.22 H new ATOM 0 HG2 GLN A 72 8.926 -16.798 -2.388 1.00 11.44 H new ATOM 0 HG3 GLN A 72 7.706 -16.648 -1.138 1.00 11.44 H new ATOM 0 HE21 GLN A 72 8.259 -17.370 -4.502 1.00 55.43 H new ATOM 0 HE22 GLN A 72 6.564 -17.627 -4.929 1.00 55.43 H new ATOM 1179 N ASN A 73 8.440 -14.392 0.694 1.00 71.53 N ATOM 1180 CA ASN A 73 8.317 -14.817 2.082 1.00 20.42 C ATOM 1181 C ASN A 73 8.126 -16.317 2.166 1.00 52.02 C ATOM 1182 O ASN A 73 7.734 -16.961 1.187 1.00 44.32 O ATOM 1183 CB ASN A 73 7.128 -14.113 2.762 1.00 43.42 C ATOM 1184 CG ASN A 73 5.818 -14.825 2.419 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.402 -15.750 3.133 1.00 70.33 O ATOM 1186 ND2 ASN A 73 5.141 -14.458 1.375 1.00 55.51 N ATOM 0 H ASN A 73 7.731 -13.722 0.397 1.00 71.53 H new ATOM 0 HA ASN A 73 9.238 -14.544 2.598 1.00 20.42 H new ATOM 0 HB2 ASN A 73 7.272 -14.104 3.842 1.00 43.42 H new ATOM 0 HB3 ASN A 73 7.080 -13.073 2.438 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.267 -14.930 1.142 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.482 -13.697 0.787 1.00 55.51 H new ATOM 1193 N GLY A 74 8.338 -16.862 3.343 1.00 42.33 N ATOM 1194 CA GLY A 74 8.108 -18.271 3.572 1.00 72.21 C ATOM 1195 C GLY A 74 9.373 -19.091 3.407 1.00 53.51 C ATOM 1196 O GLY A 74 9.342 -20.317 3.550 1.00 53.41 O ATOM 0 H GLY A 74 8.671 -16.349 4.159 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.712 -18.414 4.578 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.350 -18.632 2.877 1.00 72.21 H new ATOM 1200 N ASP A 75 10.488 -18.433 3.103 1.00 74.32 N ATOM 1201 CA ASP A 75 11.741 -19.158 2.951 1.00 40.23 C ATOM 1202 C ASP A 75 12.412 -19.365 4.294 1.00 33.23 C ATOM 1203 O ASP A 75 12.023 -18.752 5.298 1.00 22.31 O ATOM 1204 CB ASP A 75 12.689 -18.475 1.974 1.00 54.44 C ATOM 1205 CG ASP A 75 13.286 -19.517 1.058 1.00 32.10 C ATOM 1206 OD1 ASP A 75 13.814 -20.493 1.562 1.00 43.04 O ATOM 1207 OD2 ASP A 75 13.184 -19.347 -0.138 1.00 41.44 O ATOM 0 H ASP A 75 10.549 -17.425 2.960 1.00 74.32 H new ATOM 0 HA ASP A 75 11.495 -20.133 2.531 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.154 -17.725 1.392 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.478 -17.954 2.517 1.00 54.44 H new ATOM 1212 N SER A 76 13.406 -20.237 4.325 1.00 54.11 N ATOM 1213 CA SER A 76 14.085 -20.566 5.571 1.00 54.23 C ATOM 1214 C SER A 76 15.611 -20.570 5.415 1.00 1.51 C ATOM 1215 O SER A 76 16.134 -20.586 4.291 1.00 74.44 O ATOM 1216 CB SER A 76 13.600 -21.922 6.089 1.00 52.41 C ATOM 1217 OG SER A 76 13.120 -22.711 4.995 1.00 21.32 O ATOM 0 H SER A 76 13.761 -20.729 3.505 1.00 54.11 H new ATOM 0 HA SER A 76 13.837 -19.790 6.295 1.00 54.23 H new ATOM 0 HB2 SER A 76 14.414 -22.441 6.595 1.00 52.41 H new ATOM 0 HB3 SER A 76 12.807 -21.780 6.823 1.00 52.41 H new ATOM 0 HG SER A 76 12.812 -23.579 5.328 1.00 21.32 H new ATOM 1223 N ALA A 77 16.319 -20.539 6.545 1.00 33.13 N ATOM 1224 CA ALA A 77 17.785 -20.563 6.552 1.00 74.42 C ATOM 1225 C ALA A 77 18.308 -21.124 7.873 1.00 71.15 C ATOM 1226 O ALA A 77 17.558 -21.208 8.858 1.00 14.41 O ATOM 1227 CB ALA A 77 18.343 -19.156 6.336 1.00 5.24 C ATOM 0 H ALA A 77 15.899 -20.497 7.473 1.00 33.13 H new ATOM 0 HA ALA A 77 18.116 -21.208 5.738 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.432 -19.191 6.344 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.999 -18.772 5.376 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.996 -18.500 7.134 1.00 5.24 H new ATOM 1233 N TYR A 78 19.607 -21.444 7.917 1.00 12.02 N ATOM 1234 CA TYR A 78 20.261 -21.900 9.147 1.00 11.21 C ATOM 1235 C TYR A 78 21.311 -20.909 9.634 1.00 11.53 C ATOM 1236 O TYR A 78 22.191 -20.490 8.878 1.00 70.42 O ATOM 1237 CB TYR A 78 20.882 -23.298 8.989 1.00 33.45 C ATOM 1238 CG TYR A 78 19.826 -24.362 9.185 1.00 43.33 C ATOM 1239 CD1 TYR A 78 19.006 -24.754 8.126 1.00 61.00 C ATOM 1240 CD2 TYR A 78 19.672 -24.953 10.444 1.00 21.22 C ATOM 1241 CE1 TYR A 78 18.034 -25.741 8.329 1.00 1.34 C ATOM 1242 CE2 TYR A 78 18.701 -25.934 10.647 1.00 41.13 C ATOM 1243 CZ TYR A 78 17.882 -26.328 9.591 1.00 43.02 C ATOM 1244 OH TYR A 78 16.920 -27.292 9.787 1.00 40.42 O ATOM 0 H TYR A 78 20.228 -21.395 7.109 1.00 12.02 H new ATOM 0 HA TYR A 78 19.477 -21.964 9.901 1.00 11.21 H new ATOM 0 HB2 TYR A 78 21.329 -23.396 8.000 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.684 -23.432 9.715 1.00 33.45 H new ATOM 0 HD1 TYR A 78 19.121 -24.298 7.154 1.00 61.00 H new ATOM 0 HD2 TYR A 78 20.308 -24.648 11.262 1.00 21.22 H new ATOM 0 HE1 TYR A 78 17.400 -26.050 7.511 1.00 1.34 H new ATOM 0 HE2 TYR A 78 18.584 -26.387 11.620 1.00 41.13 H new ATOM 0 HH TYR A 78 16.947 -27.597 10.718 1.00 40.42 H new ATOM 1254 N LEU A 79 21.243 -20.595 10.912 1.00 25.24 N ATOM 1255 CA LEU A 79 22.189 -19.712 11.571 1.00 53.21 C ATOM 1256 C LEU A 79 22.827 -20.443 12.737 1.00 53.55 C ATOM 1257 O LEU A 79 22.120 -20.950 13.618 1.00 62.25 O ATOM 1258 CB LEU A 79 21.453 -18.465 12.088 1.00 53.33 C ATOM 1259 CG LEU A 79 22.448 -17.423 12.644 1.00 44.43 C ATOM 1260 CD1 LEU A 79 21.811 -16.036 12.590 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.801 -17.755 14.099 1.00 71.21 C ATOM 0 H LEU A 79 20.517 -20.951 11.534 1.00 25.24 H new ATOM 0 HA LEU A 79 22.960 -19.409 10.863 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.871 -18.022 11.280 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.748 -18.752 12.868 1.00 53.33 H new ATOM 0 HG LEU A 79 23.355 -17.442 12.040 1.00 44.43 H new ATOM 0 HD11 LEU A 79 22.511 -15.298 12.982 1.00 75.51 H new ATOM 0 HD12 LEU A 79 21.564 -15.789 11.557 1.00 75.51 H new ATOM 0 HD13 LEU A 79 20.902 -16.029 13.192 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.503 -17.014 14.481 1.00 71.21 H new ATOM 0 HD22 LEU A 79 21.895 -17.743 14.705 1.00 71.21 H new ATOM 0 HD23 LEU A 79 23.256 -18.744 14.146 1.00 71.21 H new ATOM 1273 N TYR A 80 24.143 -20.482 12.782 1.00 5.12 N ATOM 1274 CA TYR A 80 24.812 -21.098 13.912 1.00 41.02 C ATOM 1275 C TYR A 80 25.258 -19.988 14.842 1.00 42.44 C ATOM 1276 O TYR A 80 25.913 -19.036 14.402 1.00 55.24 O ATOM 1277 CB TYR A 80 26.026 -21.923 13.452 1.00 20.13 C ATOM 1278 CG TYR A 80 26.313 -23.014 14.461 1.00 72.33 C ATOM 1279 CD1 TYR A 80 27.178 -22.780 15.540 1.00 32.42 C ATOM 1280 CD2 TYR A 80 25.707 -24.268 14.316 1.00 60.13 C ATOM 1281 CE1 TYR A 80 27.432 -23.801 16.463 1.00 4.45 C ATOM 1282 CE2 TYR A 80 25.963 -25.282 15.239 1.00 34.21 C ATOM 1283 CZ TYR A 80 26.824 -25.050 16.312 1.00 1.20 C ATOM 1284 OH TYR A 80 27.079 -26.053 17.221 1.00 2.11 O ATOM 0 H TYR A 80 24.762 -20.103 12.065 1.00 5.12 H new ATOM 0 HA TYR A 80 24.130 -21.779 14.421 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.830 -22.362 12.474 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.897 -21.277 13.343 1.00 20.13 H new ATOM 0 HD1 TYR A 80 27.647 -21.814 15.658 1.00 32.42 H new ATOM 0 HD2 TYR A 80 25.039 -24.451 13.487 1.00 60.13 H new ATOM 0 HE1 TYR A 80 28.099 -23.623 17.293 1.00 4.45 H new ATOM 0 HE2 TYR A 80 25.494 -26.248 15.123 1.00 34.21 H new ATOM 0 HH TYR A 80 26.576 -26.856 16.971 1.00 2.11 H new ATOM 1294 N LEU A 81 24.836 -20.048 16.095 1.00 0.03 N ATOM 1295 CA LEU A 81 25.147 -18.986 17.039 1.00 31.14 C ATOM 1296 C LEU A 81 26.104 -19.506 18.097 1.00 52.43 C ATOM 1297 O LEU A 81 25.930 -20.615 18.610 1.00 25.33 O ATOM 1298 CB LEU A 81 23.859 -18.448 17.688 1.00 11.44 C ATOM 1299 CG LEU A 81 24.170 -17.208 18.535 1.00 63.32 C ATOM 1300 CD1 LEU A 81 24.705 -16.088 17.635 1.00 74.33 C ATOM 1301 CD2 LEU A 81 22.885 -16.729 19.216 1.00 62.13 C ATOM 0 H LEU A 81 24.282 -20.813 16.480 1.00 0.03 H new ATOM 0 HA LEU A 81 25.625 -18.164 16.506 1.00 31.14 H new ATOM 0 HB2 LEU A 81 23.132 -18.197 16.916 1.00 11.44 H new ATOM 0 HB3 LEU A 81 23.408 -19.220 18.312 1.00 11.44 H new ATOM 0 HG LEU A 81 24.919 -17.462 19.285 1.00 63.32 H new ATOM 0 HD11 LEU A 81 24.925 -15.209 18.240 1.00 74.33 H new ATOM 0 HD12 LEU A 81 25.615 -16.424 17.139 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.956 -15.834 16.885 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.100 -15.847 19.820 1.00 62.13 H new ATOM 0 HD22 LEU A 81 22.143 -16.477 18.458 1.00 62.13 H new ATOM 0 HD23 LEU A 81 22.495 -17.521 19.856 1.00 62.13 H new ATOM 1313 N LEU A 82 27.163 -18.754 18.338 1.00 41.20 N ATOM 1314 CA LEU A 82 28.212 -19.164 19.264 1.00 33.24 C ATOM 1315 C LEU A 82 28.261 -18.258 20.471 1.00 52.35 C ATOM 1316 O LEU A 82 28.103 -17.041 20.350 1.00 61.23 O ATOM 1317 CB LEU A 82 29.575 -19.127 18.568 1.00 34.41 C ATOM 1318 CG LEU A 82 29.586 -20.094 17.381 1.00 5.31 C ATOM 1319 CD1 LEU A 82 30.926 -19.990 16.653 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.391 -21.528 17.885 1.00 74.54 C ATOM 0 H LEU A 82 27.323 -17.846 17.902 1.00 41.20 H new ATOM 0 HA LEU A 82 27.984 -20.179 19.590 1.00 33.24 H new ATOM 0 HB2 LEU A 82 29.789 -18.115 18.225 1.00 34.41 H new ATOM 0 HB3 LEU A 82 30.360 -19.397 19.274 1.00 34.41 H new ATOM 0 HG LEU A 82 28.777 -19.837 16.697 1.00 5.31 H new ATOM 0 HD11 LEU A 82 30.935 -20.678 15.808 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.066 -18.971 16.293 1.00 4.22 H new ATOM 0 HD13 LEU A 82 31.733 -20.247 17.339 1.00 4.22 H new ATOM 0 HD21 LEU A 82 29.399 -22.215 17.039 1.00 74.54 H new ATOM 0 HD22 LEU A 82 30.199 -21.786 18.570 1.00 74.54 H new ATOM 0 HD23 LEU A 82 28.436 -21.604 18.405 1.00 74.54 H new ATOM 1332 N SER A 83 28.594 -18.829 21.610 1.00 72.52 N ATOM 1333 CA SER A 83 28.800 -18.061 22.822 1.00 14.32 C ATOM 1334 C SER A 83 30.129 -17.311 22.730 1.00 12.51 C ATOM 1335 O SER A 83 30.939 -17.324 23.666 1.00 43.32 O ATOM 1336 CB SER A 83 28.776 -18.992 24.045 1.00 65.22 C ATOM 1337 OG SER A 83 28.776 -20.361 23.606 1.00 63.53 O ATOM 0 H SER A 83 28.729 -19.834 21.723 1.00 72.52 H new ATOM 0 HA SER A 83 27.997 -17.333 22.936 1.00 14.32 H new ATOM 0 HB2 SER A 83 29.643 -18.802 24.677 1.00 65.22 H new ATOM 0 HB3 SER A 83 27.891 -18.793 24.650 1.00 65.22 H new ATOM 0 HG SER A 83 28.762 -20.955 24.386 1.00 63.53 H new ATOM 1343 N ALA A 84 30.378 -16.729 21.569 1.00 2.42 N ATOM 1344 CA ALA A 84 31.627 -16.032 21.308 1.00 12.40 C ATOM 1345 C ALA A 84 31.571 -14.606 21.809 1.00 24.54 C ATOM 1346 O ALA A 84 30.641 -14.208 22.521 1.00 65.31 O ATOM 1347 CB ALA A 84 31.955 -16.042 19.812 1.00 41.54 C ATOM 0 H ALA A 84 29.725 -16.726 20.785 1.00 2.42 H new ATOM 0 HA ALA A 84 32.414 -16.560 21.846 1.00 12.40 H new ATOM 0 HB1 ALA A 84 32.894 -15.515 19.642 1.00 41.54 H new ATOM 0 HB2 ALA A 84 32.050 -17.072 19.467 1.00 41.54 H new ATOM 0 HB3 ALA A 84 31.156 -15.547 19.261 1.00 41.54 H new ATOM 1353 N ARG A 85 32.548 -13.835 21.400 1.00 20.43 N ATOM 1354 CA ARG A 85 32.638 -12.432 21.736 1.00 2.21 C ATOM 1355 C ARG A 85 33.039 -11.678 20.486 1.00 70.24 C ATOM 1356 O ARG A 85 33.251 -12.293 19.437 1.00 2.14 O ATOM 1357 CB ARG A 85 33.694 -12.214 22.822 1.00 3.12 C ATOM 1358 CG ARG A 85 33.560 -13.267 23.938 1.00 73.00 C ATOM 1359 CD ARG A 85 32.567 -12.789 25.002 1.00 4.44 C ATOM 1360 NE ARG A 85 31.196 -12.817 24.494 1.00 10.23 N ATOM 1361 CZ ARG A 85 30.207 -12.199 25.136 1.00 63.44 C ATOM 1362 NH1 ARG A 85 30.459 -11.559 26.245 1.00 54.33 N ATOM 1363 NH2 ARG A 85 28.995 -12.244 24.668 1.00 55.53 N ATOM 0 H ARG A 85 33.315 -14.167 20.816 1.00 20.43 H new ATOM 0 HA ARG A 85 31.678 -12.077 22.111 1.00 2.21 H new ATOM 0 HB2 ARG A 85 34.690 -12.269 22.383 1.00 3.12 H new ATOM 0 HB3 ARG A 85 33.586 -11.215 23.244 1.00 3.12 H new ATOM 0 HG2 ARG A 85 33.223 -14.214 23.516 1.00 73.00 H new ATOM 0 HG3 ARG A 85 34.533 -13.449 24.394 1.00 73.00 H new ATOM 0 HD2 ARG A 85 32.644 -13.422 25.886 1.00 4.44 H new ATOM 0 HD3 ARG A 85 32.822 -11.776 25.313 1.00 4.44 H new ATOM 0 HE ARG A 85 30.993 -13.320 23.630 1.00 10.23 H new ATOM 0 HH11 ARG A 85 31.409 -11.534 26.615 1.00 54.33 H new ATOM 0 HH12 ARG A 85 29.706 -11.083 26.742 1.00 54.33 H new ATOM 0 HH21 ARG A 85 28.800 -12.754 23.806 1.00 55.53 H new ATOM 0 HH22 ARG A 85 28.239 -11.769 25.162 1.00 55.53 H new ATOM 1377 N ASN A 86 33.218 -10.376 20.595 1.00 72.42 N ATOM 1378 CA ASN A 86 33.674 -9.585 19.453 1.00 43.42 C ATOM 1379 C ASN A 86 35.131 -9.917 19.120 1.00 13.12 C ATOM 1380 O ASN A 86 35.887 -9.055 18.660 1.00 21.14 O ATOM 1381 CB ASN A 86 33.524 -8.081 19.726 1.00 53.32 C ATOM 1382 CG ASN A 86 33.476 -7.294 18.408 1.00 11.41 C ATOM 1383 OD1 ASN A 86 32.599 -6.436 18.223 1.00 50.23 O ATOM 1384 ND2 ASN A 86 34.362 -7.515 17.484 1.00 4.31 N ATOM 0 H ASN A 86 33.059 -9.842 21.449 1.00 72.42 H new ATOM 0 HA ASN A 86 33.048 -9.840 18.598 1.00 43.42 H new ATOM 0 HB2 ASN A 86 32.614 -7.899 20.298 1.00 53.32 H new ATOM 0 HB3 ASN A 86 34.358 -7.731 20.334 1.00 53.32 H new ATOM 0 HD21 ASN A 86 34.334 -6.985 16.613 1.00 4.31 H new ATOM 0 HD22 ASN A 86 35.086 -8.219 17.629 1.00 4.31 H new ATOM 1391 N THR A 87 35.510 -11.171 19.314 1.00 54.54 N ATOM 1392 CA THR A 87 36.845 -11.622 18.995 1.00 5.51 C ATOM 1393 C THR A 87 36.985 -11.743 17.483 1.00 42.40 C ATOM 1394 O THR A 87 36.810 -12.823 16.904 1.00 24.33 O ATOM 1395 CB THR A 87 37.117 -12.967 19.683 1.00 0.04 C ATOM 1396 OG1 THR A 87 35.894 -13.475 20.225 1.00 73.02 O ATOM 1397 CG2 THR A 87 38.129 -12.770 20.818 1.00 13.21 C ATOM 0 H THR A 87 34.902 -11.896 19.695 1.00 54.54 H new ATOM 0 HA THR A 87 37.578 -10.902 19.357 1.00 5.51 H new ATOM 0 HB THR A 87 37.520 -13.672 18.956 1.00 0.04 H new ATOM 0 HG1 THR A 87 35.308 -13.764 19.495 1.00 73.02 H new ATOM 0 HG21 THR A 87 38.320 -13.726 21.305 1.00 13.21 H new ATOM 0 HG22 THR A 87 39.061 -12.377 20.411 1.00 13.21 H new ATOM 0 HG23 THR A 87 37.726 -12.066 21.546 1.00 13.21 H new ATOM 1405 N SER A 88 37.165 -10.606 16.854 1.00 41.20 N ATOM 1406 CA SER A 88 37.194 -10.502 15.414 1.00 14.24 C ATOM 1407 C SER A 88 38.328 -11.345 14.819 1.00 53.12 C ATOM 1408 O SER A 88 39.384 -11.515 15.443 1.00 13.03 O ATOM 1409 CB SER A 88 37.380 -9.037 15.054 1.00 12.31 C ATOM 1410 OG SER A 88 36.546 -8.250 15.912 1.00 52.20 O ATOM 0 H SER A 88 37.297 -9.716 17.334 1.00 41.20 H new ATOM 0 HA SER A 88 36.259 -10.882 15.001 1.00 14.24 H new ATOM 0 HB2 SER A 88 38.424 -8.748 15.171 1.00 12.31 H new ATOM 0 HB3 SER A 88 37.117 -8.867 14.010 1.00 12.31 H new ATOM 0 HG SER A 88 36.655 -7.301 15.694 1.00 52.20 H new ATOM 1416 N LEU A 89 38.111 -11.864 13.614 1.00 11.45 N ATOM 1417 CA LEU A 89 39.112 -12.681 12.947 1.00 2.42 C ATOM 1418 C LEU A 89 40.148 -11.794 12.281 1.00 41.41 C ATOM 1419 O LEU A 89 40.109 -11.564 11.061 1.00 23.42 O ATOM 1420 CB LEU A 89 38.459 -13.601 11.902 1.00 31.31 C ATOM 1421 CG LEU A 89 37.402 -14.502 12.567 1.00 52.24 C ATOM 1422 CD1 LEU A 89 36.721 -15.370 11.506 1.00 72.30 C ATOM 1423 CD2 LEU A 89 38.066 -15.407 13.611 1.00 73.01 C ATOM 0 H LEU A 89 37.251 -11.732 13.082 1.00 11.45 H new ATOM 0 HA LEU A 89 39.601 -13.304 13.696 1.00 2.42 H new ATOM 0 HB2 LEU A 89 37.995 -13.001 11.119 1.00 31.31 H new ATOM 0 HB3 LEU A 89 39.221 -14.216 11.423 1.00 31.31 H new ATOM 0 HG LEU A 89 36.659 -13.872 13.056 1.00 52.24 H new ATOM 0 HD11 LEU A 89 35.974 -16.006 11.981 1.00 72.30 H new ATOM 0 HD12 LEU A 89 36.237 -14.730 10.768 1.00 72.30 H new ATOM 0 HD13 LEU A 89 37.467 -15.993 11.012 1.00 72.30 H new ATOM 0 HD21 LEU A 89 37.311 -16.041 14.076 1.00 73.01 H new ATOM 0 HD22 LEU A 89 38.816 -16.032 13.126 1.00 73.01 H new ATOM 0 HD23 LEU A 89 38.544 -14.793 14.374 1.00 73.01 H new ATOM 1435 N ASN A 90 41.054 -11.277 13.093 1.00 22.24 N ATOM 1436 CA ASN A 90 42.122 -10.406 12.638 1.00 13.40 C ATOM 1437 C ASN A 90 43.203 -10.311 13.705 1.00 13.42 C ATOM 1438 O ASN A 90 44.353 -10.443 13.374 1.00 53.14 O ATOM 1439 CB ASN A 90 41.589 -9.004 12.321 1.00 14.11 C ATOM 1440 CG ASN A 90 40.502 -8.599 13.304 1.00 13.14 C ATOM 1441 OD1 ASN A 90 39.323 -8.878 13.076 1.00 72.21 O ATOM 1442 ND2 ASN A 90 40.820 -7.958 14.387 1.00 54.13 N ATOM 1443 OXT ASN A 90 42.855 -10.112 14.845 1.00 13.42 O ATOM 0 H ASN A 90 41.068 -11.453 14.098 1.00 22.24 H new ATOM 0 HA ASN A 90 42.543 -10.831 11.727 1.00 13.40 H new ATOM 0 HB2 ASN A 90 42.406 -8.283 12.359 1.00 14.11 H new ATOM 0 HB3 ASN A 90 41.193 -8.983 11.306 1.00 14.11 H new ATOM 0 HD21 ASN A 90 40.094 -7.685 15.050 1.00 54.13 H new ATOM 0 HD22 ASN A 90 41.796 -7.727 14.575 1.00 54.13 H new TER 1450 ASN A 90