USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=26 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 :FLIP amide:sc= 0.809 F(o=0.93,f=2) USER MOD Set 1.2: A 90 ASN :FLIP amide:sc= 1.15 F(o=0.93,f=2) USER MOD Set 2.1: A 64 THR OG1 : rot 59:sc= 0.776! USER MOD Set 2.2: A 67 SER OG : rot 112:sc= -1.43! USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 MET CE :methyl 155:sc= -0.21 (180deg=-0.622) USER MOD Set 4.2: A 4 GLN :FLIP amide:sc= -0.52 F(o=-1.3,f=-0.73) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.311 (180deg=-0.692!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.4) USER MOD Single : A 17 MET CE :methyl -144:sc= -0.0423 (180deg=-0.477) USER MOD Single : A 18 HIS : no HD1:sc= -2.85! X(o=-2.8!,f=-2.5) USER MOD Single : A 19 THR OG1 : rot -29:sc= 1.13 USER MOD Single : A 25 THR OG1 : rot 131:sc= -0.182 USER MOD Single : A 30 MET CE :methyl -156:sc= -0.186 (180deg=-0.697) USER MOD Single : A 31 THR OG1 : rot 3:sc= -0.985! USER MOD Single : A 34 SER OG : rot 176:sc= -1.42 USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 0.904 (180deg=0.677) USER MOD Single : A 38 MET CE :methyl -151:sc= -4.28! (180deg=-9.33!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -8.21! C(o=-8.2!,f=-13!) USER MOD Single : A 51 GLN : amide:sc= 0.697 K(o=0.7,f=-1.4) USER MOD Single : A 56 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.22) USER MOD Single : A 62 GLN : amide:sc= -0.853 K(o=-0.85,f=-12!) USER MOD Single : A 66 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-5.8!) USER MOD Single : A 68 HIS : no HD1:sc= -12.9! C(o=-13!,f=-20!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.1) USER MOD Single : A 76 SER OG : rot 32:sc= 1.06 USER MOD Single : A 78 TYR OH : rot -154:sc= 1.08 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.127 USER MOD Single : A 87 THR OG1 : rot 94:sc= 0.0717 USER MOD Single : A 88 SER OG : rot 180:sc= 0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.543 -2.562 -0.990 1.00 3.24 N ATOM 2 CA MET A 1 4.662 -1.918 0.023 1.00 12.54 C ATOM 3 C MET A 1 3.203 -2.294 -0.253 1.00 41.00 C ATOM 4 O MET A 1 2.638 -3.108 0.470 1.00 41.40 O ATOM 5 CB MET A 1 4.870 -0.389 0.058 1.00 64.21 C ATOM 6 CG MET A 1 3.999 0.236 1.154 1.00 31.12 C ATOM 7 SD MET A 1 4.261 -0.646 2.714 1.00 74.30 S ATOM 8 CE MET A 1 2.531 -1.061 3.041 1.00 21.22 C ATOM 0 H1 MET A 1 6.402 -2.921 -0.525 1.00 3.24 H new ATOM 0 H2 MET A 1 5.036 -3.352 -1.439 1.00 3.24 H new ATOM 0 H3 MET A 1 5.807 -1.864 -1.714 1.00 3.24 H new ATOM 0 HA MET A 1 4.929 -2.287 1.013 1.00 12.54 H new ATOM 0 HB2 MET A 1 5.920 -0.161 0.243 1.00 64.21 H new ATOM 0 HB3 MET A 1 4.616 0.043 -0.910 1.00 64.21 H new ATOM 0 HG2 MET A 1 4.249 1.290 1.274 1.00 31.12 H new ATOM 0 HG3 MET A 1 2.948 0.188 0.869 1.00 31.12 H new ATOM 0 HE1 MET A 1 2.483 -1.946 3.675 1.00 21.22 H new ATOM 0 HE2 MET A 1 2.046 -0.226 3.546 1.00 21.22 H new ATOM 0 HE3 MET A 1 2.021 -1.261 2.099 1.00 21.22 H new ATOM 20 N PRO A 2 2.606 -1.837 -1.352 1.00 54.43 N ATOM 21 CA PRO A 2 1.231 -2.293 -1.734 1.00 61.14 C ATOM 22 C PRO A 2 1.272 -3.790 -1.947 1.00 54.42 C ATOM 23 O PRO A 2 0.411 -4.530 -1.473 1.00 70.24 O ATOM 24 CB PRO A 2 0.954 -1.546 -3.049 1.00 31.13 C ATOM 25 CG PRO A 2 2.304 -1.161 -3.563 1.00 35.04 C ATOM 26 CD PRO A 2 3.146 -0.878 -2.329 1.00 21.25 C ATOM 0 HA PRO A 2 0.462 -2.092 -0.988 1.00 61.14 H new ATOM 0 HB2 PRO A 2 0.426 -2.181 -3.761 1.00 31.13 H new ATOM 0 HB3 PRO A 2 0.330 -0.668 -2.881 1.00 31.13 H new ATOM 0 HG2 PRO A 2 2.740 -1.963 -4.159 1.00 35.04 H new ATOM 0 HG3 PRO A 2 2.243 -0.283 -4.206 1.00 35.04 H new ATOM 0 HD2 PRO A 2 4.207 -1.042 -2.515 1.00 21.25 H new ATOM 0 HD3 PRO A 2 3.037 0.152 -1.990 1.00 21.25 H new ATOM 34 N THR A 3 2.436 -4.220 -2.384 1.00 60.23 N ATOM 35 CA THR A 3 2.799 -5.605 -2.408 1.00 34.02 C ATOM 36 C THR A 3 3.792 -5.796 -1.271 1.00 24.54 C ATOM 37 O THR A 3 4.689 -4.953 -1.092 1.00 23.13 O ATOM 38 CB THR A 3 3.478 -5.928 -3.744 1.00 41.34 C ATOM 39 OG1 THR A 3 3.078 -4.964 -4.714 1.00 64.32 O ATOM 40 CG2 THR A 3 3.046 -7.319 -4.221 1.00 33.11 C ATOM 0 H THR A 3 3.164 -3.599 -2.737 1.00 60.23 H new ATOM 0 HA THR A 3 1.931 -6.255 -2.297 1.00 34.02 H new ATOM 0 HB THR A 3 4.560 -5.906 -3.614 1.00 41.34 H new ATOM 0 HG1 THR A 3 3.510 -5.163 -5.571 1.00 64.32 H new ATOM 0 HG21 THR A 3 3.531 -7.545 -5.171 1.00 33.11 H new ATOM 0 HG22 THR A 3 3.335 -8.064 -3.480 1.00 33.11 H new ATOM 0 HG23 THR A 3 1.964 -7.339 -4.352 1.00 33.11 H new ATOM 48 N GLN A 4 3.570 -6.790 -0.433 1.00 24.52 N ATOM 49 CA GLN A 4 4.410 -6.976 0.736 1.00 33.21 C ATOM 50 C GLN A 4 5.736 -7.603 0.385 1.00 75.12 C ATOM 51 O GLN A 4 5.846 -8.351 -0.592 1.00 45.13 O ATOM 52 CB GLN A 4 3.703 -7.790 1.825 1.00 50.20 C ATOM 53 CG GLN A 4 2.575 -6.960 2.427 1.00 63.15 C ATOM 54 CD GLN A 4 3.157 -5.725 3.108 1.00 61.42 C ATOM 55 OE1 GLN A 4 2.768 -4.543 2.750 1.00 73.13 O flip ATOM 56 NE2 GLN A 4 4.014 -5.851 3.982 1.00 13.31 N flip ATOM 0 H GLN A 4 2.822 -7.476 -0.537 1.00 24.52 H new ATOM 0 HA GLN A 4 4.606 -5.980 1.134 1.00 33.21 H new ATOM 0 HB2 GLN A 4 3.305 -8.713 1.404 1.00 50.20 H new ATOM 0 HB3 GLN A 4 4.414 -8.074 2.601 1.00 50.20 H new ATOM 0 HG2 GLN A 4 1.873 -6.662 1.648 1.00 63.15 H new ATOM 0 HG3 GLN A 4 2.016 -7.556 3.148 1.00 63.15 H new ATOM 0 HE21 GLN A 4 4.321 -6.782 4.265 1.00 13.31 H new ATOM 0 HE22 GLN A 4 4.417 -5.025 4.424 1.00 13.31 H new ATOM 65 N ASP A 5 6.725 -7.320 1.206 1.00 70.34 N ATOM 66 CA ASP A 5 8.047 -7.889 1.062 1.00 52.01 C ATOM 67 C ASP A 5 7.981 -9.372 1.357 1.00 14.04 C ATOM 68 O ASP A 5 6.893 -9.957 1.348 1.00 34.30 O ATOM 69 CB ASP A 5 9.021 -7.182 2.010 1.00 72.04 C ATOM 70 CG ASP A 5 9.597 -5.970 1.317 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.371 -6.149 0.410 1.00 71.24 O ATOM 72 OD2 ASP A 5 9.240 -4.871 1.685 1.00 63.22 O ATOM 0 H ASP A 5 6.633 -6.684 1.998 1.00 70.34 H new ATOM 0 HA ASP A 5 8.406 -7.749 0.042 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.506 -6.883 2.923 1.00 72.04 H new ATOM 0 HB3 ASP A 5 9.821 -7.862 2.303 1.00 72.04 H new ATOM 77 N ILE A 6 9.103 -9.981 1.668 1.00 61.21 N ATOM 78 CA ILE A 6 9.080 -11.378 2.009 1.00 73.32 C ATOM 79 C ILE A 6 9.626 -11.575 3.401 1.00 11.45 C ATOM 80 O ILE A 6 10.427 -10.768 3.896 1.00 13.11 O ATOM 81 CB ILE A 6 9.870 -12.219 0.991 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.354 -11.860 1.025 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.338 -11.953 -0.420 1.00 61.31 C ATOM 84 CD1 ILE A 6 12.125 -12.894 0.209 1.00 10.12 C ATOM 0 H ILE A 6 10.022 -9.540 1.691 1.00 61.21 H new ATOM 0 HA ILE A 6 8.045 -11.719 1.981 1.00 73.32 H new ATOM 0 HB ILE A 6 9.748 -13.270 1.252 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.511 -10.862 0.616 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.716 -11.844 2.053 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.899 -12.550 -1.139 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.283 -12.224 -0.468 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.452 -10.896 -0.659 1.00 61.31 H new ATOM 0 HD11 ILE A 6 13.187 -12.651 0.224 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.973 -13.884 0.639 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.766 -12.887 -0.820 1.00 10.12 H new ATOM 96 N ARG A 7 9.172 -12.615 4.048 1.00 43.32 N ATOM 97 CA ARG A 7 9.602 -12.882 5.391 1.00 44.44 C ATOM 98 C ARG A 7 10.488 -14.094 5.390 1.00 14.40 C ATOM 99 O ARG A 7 10.145 -15.123 4.797 1.00 73.14 O ATOM 100 CB ARG A 7 8.401 -13.093 6.324 1.00 13.53 C ATOM 101 CG ARG A 7 7.209 -12.247 5.833 1.00 74.33 C ATOM 102 CD ARG A 7 6.356 -11.802 7.018 1.00 62.21 C ATOM 103 NE ARG A 7 7.073 -10.767 7.763 1.00 62.41 N ATOM 104 CZ ARG A 7 6.495 -10.035 8.708 1.00 20.20 C ATOM 105 NH1 ARG A 7 5.263 -10.276 9.060 1.00 41.23 N ATOM 106 NH2 ARG A 7 7.170 -9.089 9.287 1.00 33.44 N ATOM 0 H ARG A 7 8.507 -13.288 3.667 1.00 43.32 H new ATOM 0 HA ARG A 7 10.159 -12.022 5.763 1.00 44.44 H new ATOM 0 HB2 ARG A 7 8.126 -14.148 6.347 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.665 -12.810 7.343 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.572 -11.375 5.289 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.603 -12.828 5.137 1.00 74.33 H new ATOM 0 HD2 ARG A 7 5.398 -11.418 6.668 1.00 62.21 H new ATOM 0 HD3 ARG A 7 6.141 -12.651 7.667 1.00 62.21 H new ATOM 0 HE ARG A 7 8.056 -10.601 7.548 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.742 -11.028 8.609 1.00 41.23 H new ATOM 0 HH12 ARG A 7 4.821 -9.713 9.786 1.00 41.23 H new ATOM 0 HH21 ARG A 7 8.137 -8.913 9.015 1.00 33.44 H new ATOM 0 HH22 ARG A 7 6.733 -8.522 10.014 1.00 33.44 H new ATOM 120 N LEU A 8 11.621 -13.969 6.032 1.00 14.31 N ATOM 121 CA LEU A 8 12.579 -15.038 6.115 1.00 32.33 C ATOM 122 C LEU A 8 12.667 -15.513 7.537 1.00 71.45 C ATOM 123 O LEU A 8 12.832 -14.710 8.464 1.00 32.14 O ATOM 124 CB LEU A 8 13.957 -14.557 5.638 1.00 51.41 C ATOM 125 CG LEU A 8 15.010 -15.665 5.849 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.719 -16.848 4.928 1.00 43.15 C ATOM 127 CD2 LEU A 8 16.398 -15.111 5.538 1.00 70.54 C ATOM 0 H LEU A 8 11.905 -13.117 6.515 1.00 14.31 H new ATOM 0 HA LEU A 8 12.258 -15.859 5.474 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.911 -14.285 4.583 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.247 -13.660 6.186 1.00 51.41 H new ATOM 0 HG LEU A 8 14.970 -16.001 6.885 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.468 -17.624 5.085 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.730 -17.248 5.151 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.751 -16.517 3.890 1.00 43.15 H new ATOM 0 HD21 LEU A 8 17.143 -15.892 5.687 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.430 -14.771 4.503 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.613 -14.274 6.202 1.00 70.54 H new ATOM 139 N TRP A 9 12.560 -16.804 7.713 1.00 31.14 N ATOM 140 CA TRP A 9 12.648 -17.376 9.029 1.00 63.14 C ATOM 141 C TRP A 9 14.047 -17.905 9.216 1.00 61.44 C ATOM 142 O TRP A 9 14.499 -18.763 8.446 1.00 73.50 O ATOM 143 CB TRP A 9 11.653 -18.526 9.167 1.00 41.11 C ATOM 144 CG TRP A 9 10.398 -18.230 8.398 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.802 -17.014 8.271 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.593 -19.155 7.640 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.671 -17.156 7.492 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.499 -18.457 7.077 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.705 -20.526 7.396 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.549 -19.107 6.295 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.759 -21.185 6.613 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.680 -20.478 6.062 1.00 21.20 C ATOM 0 H TRP A 9 12.412 -17.478 6.962 1.00 31.14 H new ATOM 0 HA TRP A 9 12.417 -16.620 9.779 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.102 -19.449 8.801 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.414 -18.683 10.219 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.155 -16.091 8.707 1.00 3.20 H new ATOM 0 HE1 TRP A 9 8.040 -16.391 7.253 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.531 -21.079 7.817 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.720 -18.558 5.873 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.857 -22.245 6.430 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.950 -20.994 5.457 1.00 21.20 H new ATOM 163 N VAL A 10 14.735 -17.427 10.222 1.00 73.13 N ATOM 164 CA VAL A 10 16.091 -17.867 10.446 1.00 21.41 C ATOM 165 C VAL A 10 16.147 -18.759 11.656 1.00 54.12 C ATOM 166 O VAL A 10 15.904 -18.310 12.781 1.00 12.11 O ATOM 167 CB VAL A 10 17.028 -16.659 10.640 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.480 -17.064 10.356 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.618 -15.512 9.709 1.00 2.31 C ATOM 0 H VAL A 10 14.385 -16.742 10.892 1.00 73.13 H new ATOM 0 HA VAL A 10 16.423 -18.426 9.571 1.00 21.41 H new ATOM 0 HB VAL A 10 16.948 -16.322 11.673 1.00 41.13 H new ATOM 0 HG11 VAL A 10 19.132 -16.202 10.496 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.777 -17.859 11.040 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.564 -17.419 9.329 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.289 -14.666 9.857 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.678 -15.845 8.673 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.596 -15.208 9.934 1.00 2.31 H new ATOM 179 N SER A 11 16.532 -19.996 11.444 1.00 71.44 N ATOM 180 CA SER A 11 16.724 -20.898 12.543 1.00 32.15 C ATOM 181 C SER A 11 18.084 -20.639 13.141 1.00 55.14 C ATOM 182 O SER A 11 19.052 -20.462 12.418 1.00 33.30 O ATOM 183 CB SER A 11 16.607 -22.339 12.071 1.00 73.42 C ATOM 184 OG SER A 11 15.292 -22.542 11.539 1.00 53.13 O ATOM 0 H SER A 11 16.716 -20.394 10.523 1.00 71.44 H new ATOM 0 HA SER A 11 15.956 -20.735 13.299 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.359 -22.550 11.311 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.790 -23.024 12.899 1.00 73.42 H new ATOM 0 HG SER A 11 15.204 -23.468 11.229 1.00 53.13 H new ATOM 190 N VAL A 12 18.141 -20.567 14.441 1.00 44.50 N ATOM 191 CA VAL A 12 19.357 -20.265 15.139 1.00 65.33 C ATOM 192 C VAL A 12 19.762 -21.466 15.964 1.00 31.54 C ATOM 193 O VAL A 12 18.959 -21.984 16.748 1.00 45.10 O ATOM 194 CB VAL A 12 19.119 -19.052 16.064 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.307 -18.853 17.007 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.907 -17.785 15.224 1.00 44.14 C ATOM 0 H VAL A 12 17.337 -20.718 15.051 1.00 44.50 H new ATOM 0 HA VAL A 12 20.149 -20.029 14.429 1.00 65.33 H new ATOM 0 HB VAL A 12 18.227 -19.243 16.660 1.00 22.42 H new ATOM 0 HG11 VAL A 12 20.120 -17.993 17.651 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.438 -19.744 17.621 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.210 -18.679 16.422 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.740 -16.934 15.885 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.791 -17.602 14.613 1.00 44.14 H new ATOM 0 HG23 VAL A 12 18.040 -17.918 14.577 1.00 44.14 H new ATOM 206 N GLU A 13 20.994 -21.888 15.802 1.00 65.32 N ATOM 207 CA GLU A 13 21.530 -22.998 16.552 1.00 15.40 C ATOM 208 C GLU A 13 22.565 -22.497 17.527 1.00 23.23 C ATOM 209 O GLU A 13 23.633 -22.002 17.122 1.00 42.34 O ATOM 210 CB GLU A 13 22.166 -24.011 15.602 1.00 20.03 C ATOM 211 CG GLU A 13 21.087 -24.616 14.702 1.00 1.01 C ATOM 212 CD GLU A 13 20.642 -25.952 15.250 1.00 64.42 C ATOM 213 OE1 GLU A 13 20.277 -26.016 16.405 1.00 14.21 O ATOM 214 OE2 GLU A 13 20.679 -26.905 14.511 1.00 34.31 O ATOM 0 H GLU A 13 21.653 -21.470 15.145 1.00 65.32 H new ATOM 0 HA GLU A 13 20.721 -23.483 17.099 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.930 -23.526 14.995 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.662 -24.797 16.171 1.00 20.03 H new ATOM 0 HG2 GLU A 13 20.235 -23.939 14.637 1.00 1.01 H new ATOM 0 HG3 GLU A 13 21.474 -24.740 13.690 1.00 1.01 H new ATOM 221 N ASP A 14 22.270 -22.635 18.803 1.00 22.33 N ATOM 222 CA ASP A 14 23.199 -22.228 19.835 1.00 31.53 C ATOM 223 C ASP A 14 24.241 -23.300 20.009 1.00 2.03 C ATOM 224 O ASP A 14 23.948 -24.488 19.868 1.00 12.43 O ATOM 225 CB ASP A 14 22.476 -21.979 21.163 1.00 1.42 C ATOM 226 CG ASP A 14 23.338 -21.164 22.124 1.00 22.13 C ATOM 227 OD1 ASP A 14 24.537 -21.111 21.937 1.00 24.52 O ATOM 228 OD2 ASP A 14 22.782 -20.604 23.044 1.00 34.20 O ATOM 0 H ASP A 14 21.394 -23.026 19.150 1.00 22.33 H new ATOM 0 HA ASP A 14 23.673 -21.294 19.533 1.00 31.53 H new ATOM 0 HB2 ASP A 14 21.540 -21.452 20.976 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.219 -22.933 21.623 1.00 1.42 H new ATOM 233 N ALA A 15 25.423 -22.900 20.405 1.00 64.23 N ATOM 234 CA ALA A 15 26.489 -23.850 20.673 1.00 62.10 C ATOM 235 C ALA A 15 26.007 -24.874 21.671 1.00 0.30 C ATOM 236 O ALA A 15 26.457 -26.010 21.676 1.00 4.10 O ATOM 237 CB ALA A 15 27.715 -23.139 21.222 1.00 72.21 C ATOM 0 H ALA A 15 25.678 -21.923 20.551 1.00 64.23 H new ATOM 0 HA ALA A 15 26.763 -24.343 19.740 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.502 -23.868 21.416 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.068 -22.409 20.494 1.00 72.21 H new ATOM 0 HB3 ALA A 15 27.455 -22.630 22.150 1.00 72.21 H new ATOM 243 N GLN A 16 25.019 -24.482 22.464 1.00 3.31 N ATOM 244 CA GLN A 16 24.411 -25.390 23.426 1.00 70.51 C ATOM 245 C GLN A 16 23.569 -26.435 22.689 1.00 44.44 C ATOM 246 O GLN A 16 22.776 -27.160 23.305 1.00 43.52 O ATOM 247 CB GLN A 16 23.526 -24.616 24.415 1.00 25.04 C ATOM 248 CG GLN A 16 24.140 -23.240 24.719 1.00 60.51 C ATOM 249 CD GLN A 16 25.586 -23.381 25.165 1.00 52.33 C ATOM 250 OE1 GLN A 16 25.905 -24.242 25.987 1.00 42.31 O ATOM 251 NE2 GLN A 16 26.485 -22.588 24.674 1.00 32.13 N ATOM 0 H GLN A 16 24.622 -23.542 22.460 1.00 3.31 H new ATOM 0 HA GLN A 16 25.204 -25.888 23.984 1.00 70.51 H new ATOM 0 HB2 GLN A 16 22.527 -24.491 23.998 1.00 25.04 H new ATOM 0 HB3 GLN A 16 23.418 -25.185 25.338 1.00 25.04 H new ATOM 0 HG2 GLN A 16 24.088 -22.610 23.831 1.00 60.51 H new ATOM 0 HG3 GLN A 16 23.561 -22.743 25.497 1.00 60.51 H new ATOM 0 HE21 GLN A 16 26.220 -21.876 23.994 1.00 32.13 H new ATOM 0 HE22 GLN A 16 27.458 -22.676 24.968 1.00 32.13 H new ATOM 260 N MET A 17 23.675 -26.433 21.362 1.00 5.31 N ATOM 261 CA MET A 17 22.898 -27.317 20.499 1.00 12.12 C ATOM 262 C MET A 17 21.416 -26.978 20.590 1.00 54.32 C ATOM 263 O MET A 17 20.551 -27.773 20.197 1.00 30.13 O ATOM 264 CB MET A 17 23.150 -28.791 20.859 1.00 21.12 C ATOM 265 CG MET A 17 24.628 -29.134 20.615 1.00 2.23 C ATOM 266 SD MET A 17 25.027 -28.912 18.860 1.00 25.23 S ATOM 267 CE MET A 17 24.217 -30.410 18.250 1.00 74.04 C ATOM 0 H MET A 17 24.306 -25.814 20.853 1.00 5.31 H new ATOM 0 HA MET A 17 23.220 -27.166 19.469 1.00 12.12 H new ATOM 0 HB2 MET A 17 22.892 -28.971 21.903 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.512 -29.438 20.257 1.00 21.12 H new ATOM 0 HG2 MET A 17 25.265 -28.495 21.226 1.00 2.23 H new ATOM 0 HG3 MET A 17 24.827 -30.163 20.915 1.00 2.23 H new ATOM 0 HE1 MET A 17 24.799 -30.830 17.430 1.00 74.04 H new ATOM 0 HE2 MET A 17 24.147 -31.140 19.056 1.00 74.04 H new ATOM 0 HE3 MET A 17 23.216 -30.164 17.896 1.00 74.04 H new ATOM 277 N HIS A 18 21.137 -25.762 21.028 1.00 43.51 N ATOM 278 CA HIS A 18 19.773 -25.269 21.126 1.00 22.43 C ATOM 279 C HIS A 18 19.342 -24.658 19.809 1.00 34.12 C ATOM 280 O HIS A 18 20.053 -23.824 19.254 1.00 31.44 O ATOM 281 CB HIS A 18 19.668 -24.223 22.238 1.00 70.50 C ATOM 282 CG HIS A 18 18.230 -23.824 22.416 1.00 40.41 C ATOM 283 ND1 HIS A 18 17.816 -22.508 22.319 1.00 0.13 N ATOM 284 CD2 HIS A 18 17.101 -24.556 22.684 1.00 21.11 C ATOM 285 CE1 HIS A 18 16.487 -22.488 22.526 1.00 21.41 C ATOM 286 NE2 HIS A 18 16.001 -23.708 22.753 1.00 74.45 N ATOM 0 H HIS A 18 21.846 -25.091 21.325 1.00 43.51 H new ATOM 0 HA HIS A 18 19.117 -26.107 21.362 1.00 22.43 H new ATOM 0 HB2 HIS A 18 20.063 -24.627 23.170 1.00 70.50 H new ATOM 0 HB3 HIS A 18 20.271 -23.350 21.989 1.00 70.50 H new ATOM 0 HD2 HIS A 18 17.071 -25.627 22.820 1.00 21.11 H new ATOM 0 HE1 HIS A 18 15.886 -21.591 22.510 1.00 21.41 H new ATOM 0 HE2 HIS A 18 15.031 -23.964 22.938 1.00 74.45 H new ATOM 295 N THR A 19 18.185 -25.070 19.315 1.00 71.41 N ATOM 296 CA THR A 19 17.669 -24.563 18.054 1.00 41.11 C ATOM 297 C THR A 19 16.558 -23.542 18.300 1.00 2.13 C ATOM 298 O THR A 19 15.575 -23.839 18.990 1.00 64.45 O ATOM 299 CB THR A 19 17.128 -25.732 17.221 1.00 2.14 C ATOM 300 OG1 THR A 19 18.095 -26.780 17.212 1.00 11.24 O ATOM 301 CG2 THR A 19 16.866 -25.274 15.780 1.00 20.53 C ATOM 0 H THR A 19 17.584 -25.757 19.770 1.00 71.41 H new ATOM 0 HA THR A 19 18.476 -24.069 17.513 1.00 41.11 H new ATOM 0 HB THR A 19 16.194 -26.086 17.658 1.00 2.14 H new ATOM 0 HG1 THR A 19 18.992 -26.398 17.311 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.482 -26.111 15.196 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.133 -24.467 15.782 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.796 -24.919 15.336 1.00 20.53 H new ATOM 309 N VAL A 20 16.707 -22.362 17.722 1.00 62.44 N ATOM 310 CA VAL A 20 15.708 -21.298 17.835 1.00 2.05 C ATOM 311 C VAL A 20 15.387 -20.772 16.447 1.00 1.51 C ATOM 312 O VAL A 20 16.140 -21.004 15.520 1.00 15.42 O ATOM 313 CB VAL A 20 16.244 -20.155 18.712 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.090 -19.271 19.206 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.000 -20.731 19.911 1.00 52.53 C ATOM 0 H VAL A 20 17.520 -22.109 17.161 1.00 62.44 H new ATOM 0 HA VAL A 20 14.806 -21.698 18.298 1.00 2.05 H new ATOM 0 HB VAL A 20 16.922 -19.546 18.114 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.487 -18.467 19.825 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.566 -18.845 18.350 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.396 -19.873 19.793 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.377 -19.916 20.529 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.327 -21.352 20.502 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.835 -21.336 19.558 1.00 52.53 H new ATOM 325 N THR A 21 14.305 -20.042 16.309 1.00 63.53 N ATOM 326 CA THR A 21 13.972 -19.431 15.028 1.00 44.25 C ATOM 327 C THR A 21 13.674 -17.951 15.203 1.00 12.41 C ATOM 328 O THR A 21 12.892 -17.575 16.081 1.00 11.33 O ATOM 329 CB THR A 21 12.780 -20.144 14.372 1.00 65.22 C ATOM 330 OG1 THR A 21 13.083 -21.531 14.219 1.00 25.54 O ATOM 331 CG2 THR A 21 12.511 -19.538 12.985 1.00 10.42 C ATOM 0 H THR A 21 13.639 -19.853 17.058 1.00 63.53 H new ATOM 0 HA THR A 21 14.835 -19.536 14.370 1.00 44.25 H new ATOM 0 HB THR A 21 11.899 -20.022 15.003 1.00 65.22 H new ATOM 0 HG1 THR A 21 12.323 -21.988 13.802 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.665 -20.047 12.524 1.00 10.42 H new ATOM 0 HG22 THR A 21 12.284 -18.477 13.089 1.00 10.42 H new ATOM 0 HG23 THR A 21 13.394 -19.660 12.357 1.00 10.42 H new ATOM 339 N ILE A 22 14.219 -17.131 14.320 1.00 41.12 N ATOM 340 CA ILE A 22 13.898 -15.716 14.312 1.00 63.41 C ATOM 341 C ILE A 22 13.336 -15.355 12.954 1.00 15.43 C ATOM 342 O ILE A 22 13.584 -16.056 11.959 1.00 50.41 O ATOM 343 CB ILE A 22 15.132 -14.855 14.637 1.00 35.34 C ATOM 344 CG1 ILE A 22 16.202 -15.051 13.561 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.703 -15.271 15.997 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.359 -14.079 13.801 1.00 75.44 C ATOM 0 H ILE A 22 14.883 -17.421 13.602 1.00 41.12 H new ATOM 0 HA ILE A 22 13.157 -15.514 15.086 1.00 63.41 H new ATOM 0 HB ILE A 22 14.836 -13.806 14.666 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.567 -16.078 13.580 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.773 -14.884 12.573 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.577 -14.661 16.227 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.947 -15.127 16.769 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.992 -16.321 15.964 1.00 31.40 H new ATOM 0 HD11 ILE A 22 18.119 -14.221 13.033 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.988 -13.055 13.759 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.795 -14.267 14.782 1.00 75.44 H new ATOM 358 N TRP A 23 12.479 -14.369 12.937 1.00 51.20 N ATOM 359 CA TRP A 23 11.738 -14.040 11.739 1.00 45.54 C ATOM 360 C TRP A 23 12.168 -12.677 11.224 1.00 3.15 C ATOM 361 O TRP A 23 12.162 -11.699 11.973 1.00 71.12 O ATOM 362 CB TRP A 23 10.244 -14.032 12.089 1.00 14.21 C ATOM 363 CG TRP A 23 9.970 -15.176 13.026 1.00 32.22 C ATOM 364 CD1 TRP A 23 9.976 -15.086 14.376 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.675 -16.567 12.721 1.00 53.12 C ATOM 366 NE1 TRP A 23 9.711 -16.328 14.906 1.00 24.00 N ATOM 367 CE2 TRP A 23 9.514 -17.271 13.935 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.531 -17.276 11.528 1.00 72.44 C ATOM 369 CZ2 TRP A 23 9.224 -18.630 13.959 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.236 -18.648 11.544 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.083 -19.322 12.762 1.00 12.23 C ATOM 0 H TRP A 23 12.273 -13.775 13.740 1.00 51.20 H new ATOM 0 HA TRP A 23 11.932 -14.775 10.958 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.969 -13.086 12.555 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.642 -14.129 11.185 1.00 14.21 H new ATOM 0 HD1 TRP A 23 10.159 -14.186 14.945 1.00 44.21 H new ATOM 0 HE1 TRP A 23 9.667 -16.523 15.906 1.00 24.00 H new ATOM 0 HE3 TRP A 23 9.648 -16.765 10.584 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 9.109 -19.145 14.901 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 9.127 -19.186 10.614 1.00 74.51 H new ATOM 0 HH2 TRP A 23 8.856 -20.378 12.771 1.00 12.23 H new ATOM 382 N LEU A 24 12.557 -12.614 9.961 1.00 44.10 N ATOM 383 CA LEU A 24 12.996 -11.354 9.362 1.00 40.20 C ATOM 384 C LEU A 24 12.159 -11.024 8.138 1.00 52.40 C ATOM 385 O LEU A 24 11.850 -11.908 7.336 1.00 21.24 O ATOM 386 CB LEU A 24 14.479 -11.434 8.977 1.00 70.54 C ATOM 387 CG LEU A 24 15.324 -11.786 10.216 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.790 -11.933 9.816 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.200 -10.682 11.273 1.00 21.54 C ATOM 0 H LEU A 24 12.580 -13.414 9.329 1.00 44.10 H new ATOM 0 HA LEU A 24 12.865 -10.561 10.099 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.622 -12.187 8.202 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.807 -10.482 8.561 1.00 70.54 H new ATOM 0 HG LEU A 24 14.959 -12.725 10.632 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.384 -12.182 10.695 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.887 -12.727 9.076 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.147 -10.995 9.391 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.802 -10.943 12.144 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.553 -9.739 10.857 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.157 -10.579 11.571 1.00 21.54 H new ATOM 401 N THR A 25 11.841 -9.748 7.960 1.00 32.11 N ATOM 402 CA THR A 25 11.073 -9.308 6.801 1.00 20.03 C ATOM 403 C THR A 25 11.956 -8.475 5.879 1.00 15.11 C ATOM 404 O THR A 25 12.496 -7.432 6.292 1.00 30.42 O ATOM 405 CB THR A 25 9.858 -8.492 7.263 1.00 11.33 C ATOM 406 OG1 THR A 25 9.429 -8.968 8.545 1.00 74.12 O ATOM 407 CG2 THR A 25 8.715 -8.651 6.256 1.00 51.01 C ATOM 0 H THR A 25 12.102 -9.000 8.602 1.00 32.11 H new ATOM 0 HA THR A 25 10.720 -10.180 6.250 1.00 20.03 H new ATOM 0 HB THR A 25 10.134 -7.440 7.333 1.00 11.33 H new ATOM 0 HG1 THR A 25 9.313 -8.209 9.154 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.854 -8.070 6.588 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.039 -8.294 5.279 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.437 -9.703 6.184 1.00 51.01 H new ATOM 415 N VAL A 26 12.120 -8.936 4.648 1.00 24.42 N ATOM 416 CA VAL A 26 12.987 -8.271 3.684 1.00 0.53 C ATOM 417 C VAL A 26 12.519 -8.544 2.258 1.00 14.44 C ATOM 418 O VAL A 26 11.503 -9.200 2.045 1.00 61.52 O ATOM 419 CB VAL A 26 14.434 -8.770 3.859 1.00 60.45 C ATOM 420 CG1 VAL A 26 14.976 -8.349 5.229 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.474 -10.299 3.749 1.00 64.00 C ATOM 0 H VAL A 26 11.661 -9.774 4.290 1.00 24.42 H new ATOM 0 HA VAL A 26 12.945 -7.197 3.863 1.00 0.53 H new ATOM 0 HB VAL A 26 15.052 -8.330 3.076 1.00 60.45 H new ATOM 0 HG11 VAL A 26 15.999 -8.707 5.341 1.00 14.20 H new ATOM 0 HG12 VAL A 26 14.961 -7.262 5.308 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.353 -8.778 6.014 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.500 -10.646 3.874 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.846 -10.736 4.525 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.104 -10.603 2.770 1.00 64.00 H new ATOM 431 N ARG A 27 13.331 -8.142 1.295 1.00 33.21 N ATOM 432 CA ARG A 27 13.081 -8.448 -0.107 1.00 4.21 C ATOM 433 C ARG A 27 14.133 -9.434 -0.606 1.00 3.32 C ATOM 434 O ARG A 27 15.262 -9.424 -0.127 1.00 72.11 O ATOM 435 CB ARG A 27 13.145 -7.174 -0.951 1.00 30.33 C ATOM 436 CG ARG A 27 14.366 -6.341 -0.540 1.00 13.41 C ATOM 437 CD ARG A 27 13.900 -5.080 0.196 1.00 0.42 C ATOM 438 NE ARG A 27 15.056 -4.330 0.692 1.00 5.44 N ATOM 439 CZ ARG A 27 15.821 -3.592 -0.124 1.00 52.45 C ATOM 440 NH1 ARG A 27 15.524 -3.506 -1.386 1.00 55.30 N ATOM 441 NH2 ARG A 27 16.859 -2.961 0.346 1.00 23.52 N ATOM 0 H ARG A 27 14.178 -7.597 1.459 1.00 33.21 H new ATOM 0 HA ARG A 27 12.087 -8.885 -0.199 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.207 -7.430 -2.009 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.234 -6.591 -0.817 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.021 -6.929 0.103 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.946 -6.067 -1.421 1.00 13.41 H new ATOM 0 HD2 ARG A 27 13.312 -4.454 -0.475 1.00 0.42 H new ATOM 0 HD3 ARG A 27 13.251 -5.354 1.027 1.00 0.42 H new ATOM 0 HE ARG A 27 15.285 -4.370 1.685 1.00 5.44 H new ATOM 0 HH11 ARG A 27 14.710 -3.999 -1.753 1.00 55.30 H new ATOM 0 HH12 ARG A 27 16.104 -2.945 -2.009 1.00 55.30 H new ATOM 0 HH21 ARG A 27 17.091 -3.028 1.337 1.00 23.52 H new ATOM 0 HH22 ARG A 27 17.440 -2.400 -0.277 1.00 23.52 H new ATOM 455 N PRO A 28 13.831 -10.199 -1.619 1.00 70.42 N ATOM 456 CA PRO A 28 14.812 -11.158 -2.220 1.00 2.44 C ATOM 457 C PRO A 28 16.114 -10.467 -2.626 1.00 10.52 C ATOM 458 O PRO A 28 17.183 -11.099 -2.652 1.00 73.22 O ATOM 459 CB PRO A 28 14.081 -11.673 -3.465 1.00 63.31 C ATOM 460 CG PRO A 28 12.634 -11.528 -3.140 1.00 53.01 C ATOM 461 CD PRO A 28 12.522 -10.254 -2.299 1.00 50.41 C ATOM 0 HA PRO A 28 15.102 -11.941 -1.520 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.348 -11.094 -4.349 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.338 -12.711 -3.674 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.035 -11.452 -4.047 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.268 -12.394 -2.589 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.350 -9.374 -2.918 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.698 -10.309 -1.588 1.00 50.41 H new ATOM 469 N ASP A 29 16.020 -9.191 -2.984 1.00 21.24 N ATOM 470 CA ASP A 29 17.185 -8.444 -3.428 1.00 42.34 C ATOM 471 C ASP A 29 17.990 -7.904 -2.260 1.00 22.22 C ATOM 472 O ASP A 29 19.039 -7.290 -2.459 1.00 73.13 O ATOM 473 CB ASP A 29 16.815 -7.306 -4.376 1.00 0.01 C ATOM 474 CG ASP A 29 15.781 -6.407 -3.756 1.00 62.22 C ATOM 475 OD1 ASP A 29 14.635 -6.781 -3.766 1.00 21.43 O ATOM 476 OD2 ASP A 29 16.137 -5.345 -3.302 1.00 43.24 O ATOM 0 H ASP A 29 15.151 -8.656 -2.975 1.00 21.24 H new ATOM 0 HA ASP A 29 17.805 -9.153 -3.976 1.00 42.34 H new ATOM 0 HB2 ASP A 29 17.706 -6.728 -4.622 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.433 -7.716 -5.311 1.00 0.01 H new ATOM 481 N MET A 30 17.555 -8.196 -1.044 1.00 31.25 N ATOM 482 CA MET A 30 18.349 -7.846 0.128 1.00 25.12 C ATOM 483 C MET A 30 19.586 -8.725 0.157 1.00 64.13 C ATOM 484 O MET A 30 19.691 -9.674 -0.632 1.00 62.13 O ATOM 485 CB MET A 30 17.537 -8.013 1.422 1.00 2.42 C ATOM 486 CG MET A 30 17.009 -6.650 1.875 1.00 11.34 C ATOM 487 SD MET A 30 18.350 -5.737 2.670 1.00 52.43 S ATOM 488 CE MET A 30 18.335 -6.639 4.239 1.00 61.23 C ATOM 0 H MET A 30 16.673 -8.666 -0.842 1.00 31.25 H new ATOM 0 HA MET A 30 18.640 -6.798 0.063 1.00 25.12 H new ATOM 0 HB2 MET A 30 16.707 -8.699 1.256 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.161 -8.450 2.201 1.00 2.42 H new ATOM 0 HG2 MET A 30 16.627 -6.091 1.021 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.178 -6.779 2.569 1.00 11.34 H new ATOM 0 HE1 MET A 30 18.758 -6.012 5.023 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.309 -6.902 4.498 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.929 -7.548 4.142 1.00 61.23 H new ATOM 498 N THR A 31 20.539 -8.390 1.005 1.00 12.23 N ATOM 499 CA THR A 31 21.785 -9.125 1.040 1.00 31.41 C ATOM 500 C THR A 31 22.019 -9.754 2.399 1.00 44.04 C ATOM 501 O THR A 31 21.529 -9.256 3.425 1.00 12.01 O ATOM 502 CB THR A 31 22.950 -8.207 0.638 1.00 25.42 C ATOM 503 OG1 THR A 31 24.080 -8.977 0.258 1.00 20.13 O ATOM 504 CG2 THR A 31 23.329 -7.277 1.787 1.00 40.23 C ATOM 0 H THR A 31 20.475 -7.621 1.672 1.00 12.23 H new ATOM 0 HA THR A 31 21.724 -9.940 0.319 1.00 31.41 H new ATOM 0 HB THR A 31 22.625 -7.605 -0.210 1.00 25.42 H new ATOM 0 HG1 THR A 31 23.851 -9.929 0.285 1.00 20.13 H new ATOM 0 HG21 THR A 31 24.156 -6.637 1.479 1.00 40.23 H new ATOM 0 HG22 THR A 31 22.471 -6.659 2.053 1.00 40.23 H new ATOM 0 HG23 THR A 31 23.631 -7.870 2.650 1.00 40.23 H new ATOM 512 N VAL A 32 22.766 -10.848 2.406 1.00 60.15 N ATOM 513 CA VAL A 32 23.052 -11.561 3.633 1.00 10.31 C ATOM 514 C VAL A 32 23.815 -10.662 4.593 1.00 54.12 C ATOM 515 O VAL A 32 23.486 -10.587 5.775 1.00 54.33 O ATOM 516 CB VAL A 32 23.847 -12.848 3.334 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.228 -13.551 4.641 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.002 -13.789 2.464 1.00 24.05 C ATOM 0 H VAL A 32 23.184 -11.259 1.571 1.00 60.15 H new ATOM 0 HA VAL A 32 22.111 -11.847 4.104 1.00 10.31 H new ATOM 0 HB VAL A 32 24.759 -12.583 2.798 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.789 -14.458 4.416 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.843 -12.885 5.247 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.324 -13.811 5.191 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.567 -14.697 2.255 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.084 -14.047 2.992 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.754 -13.292 1.526 1.00 24.05 H new ATOM 528 N ALA A 33 24.814 -9.957 4.081 1.00 53.45 N ATOM 529 CA ALA A 33 25.598 -9.066 4.924 1.00 55.04 C ATOM 530 C ALA A 33 24.680 -8.094 5.661 1.00 52.23 C ATOM 531 O ALA A 33 24.727 -8.007 6.898 1.00 54.14 O ATOM 532 CB ALA A 33 26.627 -8.286 4.093 1.00 50.32 C ATOM 0 H ALA A 33 25.098 -9.983 3.102 1.00 53.45 H new ATOM 0 HA ALA A 33 26.135 -9.674 5.652 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.199 -7.628 4.747 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.303 -8.985 3.601 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.111 -7.690 3.340 1.00 50.32 H new ATOM 538 N SER A 34 23.799 -7.430 4.914 1.00 20.42 N ATOM 539 CA SER A 34 22.818 -6.526 5.515 1.00 42.23 C ATOM 540 C SER A 34 21.837 -7.294 6.393 1.00 51.41 C ATOM 541 O SER A 34 21.512 -6.869 7.497 1.00 74.05 O ATOM 542 CB SER A 34 22.041 -5.755 4.440 1.00 22.13 C ATOM 543 OG SER A 34 22.953 -5.104 3.554 1.00 22.31 O ATOM 0 H SER A 34 23.744 -7.500 3.898 1.00 20.42 H new ATOM 0 HA SER A 34 23.369 -5.815 6.130 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.402 -6.438 3.881 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.388 -5.019 4.909 1.00 22.13 H new ATOM 0 HG SER A 34 22.453 -4.668 2.832 1.00 22.31 H new ATOM 549 N LEU A 35 21.355 -8.421 5.883 1.00 42.51 N ATOM 550 CA LEU A 35 20.367 -9.222 6.597 1.00 60.21 C ATOM 551 C LEU A 35 20.944 -9.715 7.902 1.00 12.50 C ATOM 552 O LEU A 35 20.322 -9.595 8.960 1.00 51.11 O ATOM 553 CB LEU A 35 19.907 -10.401 5.721 1.00 20.44 C ATOM 554 CG LEU A 35 18.868 -11.251 6.463 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.681 -10.385 6.864 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.375 -12.363 5.541 1.00 72.44 C ATOM 0 H LEU A 35 21.632 -8.801 4.978 1.00 42.51 H new ATOM 0 HA LEU A 35 19.499 -8.602 6.819 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.480 -10.025 4.791 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.765 -11.018 5.452 1.00 20.44 H new ATOM 0 HG LEU A 35 19.328 -11.677 7.355 1.00 63.51 H new ATOM 0 HD11 LEU A 35 16.947 -10.995 7.390 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.021 -9.582 7.518 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.224 -9.958 5.971 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.636 -12.969 6.065 1.00 72.44 H new ATOM 0 HD22 LEU A 35 17.920 -11.924 4.653 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.216 -12.991 5.246 1.00 72.44 H new ATOM 568 N LYS A 36 22.175 -10.170 7.836 1.00 34.21 N ATOM 569 CA LYS A 36 22.905 -10.591 9.011 1.00 44.21 C ATOM 570 C LYS A 36 23.008 -9.427 9.989 1.00 31.00 C ATOM 571 O LYS A 36 22.899 -9.598 11.205 1.00 33.33 O ATOM 572 CB LYS A 36 24.313 -11.007 8.570 1.00 43.15 C ATOM 573 CG LYS A 36 25.226 -11.241 9.781 1.00 4.03 C ATOM 574 CD LYS A 36 26.204 -10.068 9.929 1.00 65.42 C ATOM 575 CE LYS A 36 27.016 -9.866 8.637 1.00 65.21 C ATOM 576 NZ LYS A 36 26.793 -8.483 8.119 1.00 35.45 N ATOM 0 H LYS A 36 22.699 -10.259 6.965 1.00 34.21 H new ATOM 0 HA LYS A 36 22.395 -11.422 9.497 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.256 -11.917 7.973 1.00 43.15 H new ATOM 0 HB3 LYS A 36 24.741 -10.233 7.932 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.627 -11.343 10.686 1.00 4.03 H new ATOM 0 HG3 LYS A 36 25.778 -12.173 9.657 1.00 4.03 H new ATOM 0 HD2 LYS A 36 25.653 -9.157 10.164 1.00 65.42 H new ATOM 0 HD3 LYS A 36 26.880 -10.256 10.763 1.00 65.42 H new ATOM 0 HE2 LYS A 36 28.076 -10.026 8.833 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.716 -10.599 7.888 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 27.368 -8.335 7.265 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 25.787 -8.358 7.885 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 27.068 -7.792 8.845 1.00 35.45 H new ATOM 590 N ASP A 37 23.328 -8.259 9.459 1.00 21.40 N ATOM 591 CA ASP A 37 23.558 -7.090 10.292 1.00 31.33 C ATOM 592 C ASP A 37 22.292 -6.676 11.040 1.00 3.04 C ATOM 593 O ASP A 37 22.355 -6.325 12.223 1.00 73.14 O ATOM 594 CB ASP A 37 24.093 -5.918 9.448 1.00 1.34 C ATOM 595 CG ASP A 37 25.609 -6.005 9.280 1.00 74.31 C ATOM 596 OD1 ASP A 37 26.229 -6.853 9.899 1.00 11.04 O ATOM 597 OD2 ASP A 37 26.135 -5.232 8.524 1.00 52.50 O ATOM 0 H ASP A 37 23.434 -8.094 8.458 1.00 21.40 H new ATOM 0 HA ASP A 37 24.310 -7.358 11.034 1.00 31.33 H new ATOM 0 HB2 ASP A 37 23.615 -5.924 8.468 1.00 1.34 H new ATOM 0 HB3 ASP A 37 23.831 -4.974 9.925 1.00 1.34 H new ATOM 602 N MET A 38 21.136 -6.745 10.376 1.00 34.44 N ATOM 603 CA MET A 38 19.897 -6.313 11.027 1.00 41.13 C ATOM 604 C MET A 38 19.682 -7.130 12.266 1.00 34.34 C ATOM 605 O MET A 38 19.246 -6.624 13.287 1.00 71.22 O ATOM 606 CB MET A 38 18.658 -6.472 10.143 1.00 41.21 C ATOM 607 CG MET A 38 19.016 -6.484 8.670 1.00 23.15 C ATOM 608 SD MET A 38 17.482 -6.454 7.698 1.00 32.15 S ATOM 609 CE MET A 38 16.679 -7.892 8.473 1.00 74.35 C ATOM 0 H MET A 38 21.031 -7.084 9.420 1.00 34.44 H new ATOM 0 HA MET A 38 20.017 -5.252 11.247 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.144 -7.399 10.400 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.963 -5.656 10.342 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.636 -5.622 8.425 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.598 -7.374 8.430 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.014 -8.370 7.753 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.439 -8.604 8.793 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.102 -7.564 9.338 1.00 74.35 H new ATOM 619 N VAL A 39 20.001 -8.399 12.171 1.00 14.41 N ATOM 620 CA VAL A 39 19.834 -9.293 13.291 1.00 25.32 C ATOM 621 C VAL A 39 20.635 -8.743 14.459 1.00 51.44 C ATOM 622 O VAL A 39 20.122 -8.597 15.569 1.00 21.33 O ATOM 623 CB VAL A 39 20.313 -10.711 12.920 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.193 -11.655 14.123 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.464 -11.252 11.765 1.00 65.31 C ATOM 0 H VAL A 39 20.378 -8.835 11.329 1.00 14.41 H new ATOM 0 HA VAL A 39 18.781 -9.362 13.565 1.00 25.32 H new ATOM 0 HB VAL A 39 21.359 -10.657 12.619 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.536 -12.650 13.840 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.805 -11.279 14.943 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.152 -11.707 14.442 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.803 -12.254 11.503 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.418 -11.290 12.069 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.566 -10.597 10.900 1.00 65.31 H new ATOM 635 N PHE A 40 21.844 -8.301 14.168 1.00 3.12 N ATOM 636 CA PHE A 40 22.649 -7.607 15.151 1.00 33.42 C ATOM 637 C PHE A 40 21.960 -6.332 15.590 1.00 2.10 C ATOM 638 O PHE A 40 21.887 -6.038 16.777 1.00 42.22 O ATOM 639 CB PHE A 40 24.040 -7.313 14.592 1.00 31.43 C ATOM 640 CG PHE A 40 24.821 -6.432 15.543 1.00 13.33 C ATOM 641 CD1 PHE A 40 25.263 -6.933 16.774 1.00 13.01 C ATOM 642 CD2 PHE A 40 25.097 -5.103 15.188 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.985 -6.107 17.646 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.822 -4.285 16.056 1.00 33.14 C ATOM 645 CZ PHE A 40 26.260 -4.782 17.287 1.00 34.32 C ATOM 0 H PHE A 40 22.289 -8.411 13.257 1.00 3.12 H new ATOM 0 HA PHE A 40 22.765 -8.249 16.024 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.577 -8.247 14.429 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.952 -6.823 13.623 1.00 31.43 H new ATOM 0 HD1 PHE A 40 25.048 -7.954 17.051 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.748 -4.713 14.243 1.00 43.21 H new ATOM 0 HE1 PHE A 40 26.329 -6.492 18.594 1.00 61.34 H new ATOM 0 HE2 PHE A 40 26.045 -3.266 15.776 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.811 -4.143 17.962 1.00 34.32 H new ATOM 655 N LEU A 41 21.462 -5.572 14.634 1.00 22.50 N ATOM 656 CA LEU A 41 20.811 -4.309 14.962 1.00 60.20 C ATOM 657 C LEU A 41 19.602 -4.582 15.822 1.00 62.30 C ATOM 658 O LEU A 41 19.339 -3.881 16.806 1.00 2.04 O ATOM 659 CB LEU A 41 20.315 -3.636 13.676 1.00 64.43 C ATOM 660 CG LEU A 41 21.494 -3.331 12.763 1.00 14.35 C ATOM 661 CD1 LEU A 41 21.009 -2.710 11.450 1.00 15.13 C ATOM 662 CD2 LEU A 41 22.463 -2.391 13.463 1.00 2.24 C ATOM 0 H LEU A 41 21.492 -5.797 13.640 1.00 22.50 H new ATOM 0 HA LEU A 41 21.525 -3.669 15.481 1.00 60.20 H new ATOM 0 HB2 LEU A 41 19.607 -4.287 13.164 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.784 -2.716 13.918 1.00 64.43 H new ATOM 0 HG LEU A 41 22.009 -4.264 12.533 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.865 -2.498 10.809 1.00 15.13 H new ATOM 0 HD12 LEU A 41 20.340 -3.406 10.944 1.00 15.13 H new ATOM 0 HD13 LEU A 41 20.476 -1.783 11.661 1.00 15.13 H new ATOM 0 HD21 LEU A 41 23.304 -2.178 12.803 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.952 -1.461 13.712 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.829 -2.860 14.377 1.00 2.24 H new ATOM 674 N ASP A 42 18.851 -5.578 15.410 1.00 3.40 N ATOM 675 CA ASP A 42 17.594 -5.934 16.065 1.00 20.53 C ATOM 676 C ASP A 42 17.802 -6.682 17.374 1.00 55.41 C ATOM 677 O ASP A 42 17.155 -6.384 18.378 1.00 3.34 O ATOM 678 CB ASP A 42 16.727 -6.781 15.120 1.00 22.22 C ATOM 679 CG ASP A 42 15.313 -6.890 15.657 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.648 -5.881 15.721 1.00 72.43 O ATOM 681 OD2 ASP A 42 14.909 -7.975 15.990 1.00 75.41 O ATOM 0 H ASP A 42 19.086 -6.169 14.613 1.00 3.40 H new ATOM 0 HA ASP A 42 17.087 -4.999 16.303 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.712 -6.331 14.128 1.00 22.22 H new ATOM 0 HB3 ASP A 42 17.160 -7.776 15.012 1.00 22.22 H new ATOM 686 N TYR A 43 18.621 -7.718 17.333 1.00 32.23 N ATOM 687 CA TYR A 43 18.786 -8.606 18.481 1.00 3.43 C ATOM 688 C TYR A 43 20.075 -8.328 19.234 1.00 54.44 C ATOM 689 O TYR A 43 20.205 -8.678 20.411 1.00 52.22 O ATOM 690 CB TYR A 43 18.784 -10.065 18.016 1.00 12.45 C ATOM 691 CG TYR A 43 17.491 -10.383 17.294 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.343 -10.738 18.017 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.446 -10.336 15.899 1.00 13.44 C ATOM 694 CE1 TYR A 43 15.157 -11.038 17.335 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.265 -10.637 15.222 1.00 50.22 C ATOM 696 CZ TYR A 43 15.120 -10.986 15.937 1.00 33.42 C ATOM 697 OH TYR A 43 13.956 -11.280 15.260 1.00 11.32 O ATOM 0 H TYR A 43 19.184 -7.969 16.520 1.00 32.23 H new ATOM 0 HA TYR A 43 17.950 -8.422 19.156 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.632 -10.245 17.355 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.903 -10.728 18.873 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.373 -10.780 19.096 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.331 -10.065 15.342 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.270 -11.310 17.888 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.237 -10.600 14.143 1.00 50.22 H new ATOM 0 HH TYR A 43 14.108 -11.194 14.296 1.00 11.32 H new ATOM 707 N GLY A 44 21.057 -7.788 18.535 1.00 13.32 N ATOM 708 CA GLY A 44 22.368 -7.552 19.124 1.00 51.52 C ATOM 709 C GLY A 44 23.172 -8.830 19.189 1.00 41.34 C ATOM 710 O GLY A 44 24.193 -8.894 19.879 1.00 41.15 O ATOM 0 H GLY A 44 20.974 -7.504 17.559 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.906 -6.809 18.535 1.00 51.52 H new ATOM 0 HA3 GLY A 44 22.251 -7.141 20.127 1.00 51.52 H new ATOM 714 N PHE A 45 22.747 -9.835 18.427 1.00 73.22 N ATOM 715 CA PHE A 45 23.464 -11.102 18.379 1.00 0.40 C ATOM 716 C PHE A 45 24.922 -10.837 18.045 1.00 12.32 C ATOM 717 O PHE A 45 25.214 -10.259 16.998 1.00 44.25 O ATOM 718 CB PHE A 45 22.854 -12.034 17.316 1.00 13.01 C ATOM 719 CG PHE A 45 21.639 -12.777 17.862 1.00 55.55 C ATOM 720 CD1 PHE A 45 20.958 -12.310 19.001 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.191 -13.938 17.212 1.00 43.54 C ATOM 722 CE1 PHE A 45 19.841 -13.009 19.482 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.078 -14.633 17.698 1.00 74.25 C ATOM 724 CZ PHE A 45 19.402 -14.168 18.832 1.00 11.12 C ATOM 0 H PHE A 45 21.915 -9.795 17.839 1.00 73.22 H new ATOM 0 HA PHE A 45 23.385 -11.588 19.351 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.564 -11.451 16.442 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.604 -12.753 16.986 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.294 -11.415 19.504 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.707 -14.296 16.334 1.00 43.54 H new ATOM 0 HE1 PHE A 45 19.318 -12.652 20.357 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.740 -15.529 17.198 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.542 -14.704 19.205 1.00 11.12 H new ATOM 734 N PRO A 46 25.839 -11.214 18.908 1.00 33.44 N ATOM 735 CA PRO A 46 27.282 -10.957 18.678 1.00 1.25 C ATOM 736 C PRO A 46 27.691 -11.468 17.293 1.00 72.23 C ATOM 737 O PRO A 46 27.446 -12.632 16.960 1.00 63.41 O ATOM 738 CB PRO A 46 27.995 -11.752 19.787 1.00 45.41 C ATOM 739 CG PRO A 46 26.936 -12.566 20.477 1.00 3.22 C ATOM 740 CD PRO A 46 25.596 -11.895 20.188 1.00 61.54 C ATOM 0 HA PRO A 46 27.533 -9.897 18.708 1.00 1.25 H new ATOM 0 HB2 PRO A 46 28.767 -12.396 19.367 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.488 -11.080 20.490 1.00 45.41 H new ATOM 0 HG2 PRO A 46 26.940 -13.593 20.111 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.122 -12.610 21.550 1.00 3.22 H new ATOM 0 HD2 PRO A 46 24.788 -12.623 20.111 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.319 -11.192 20.973 1.00 61.54 H new ATOM 748 N PRO A 47 28.264 -10.623 16.474 1.00 24.43 N ATOM 749 CA PRO A 47 28.608 -10.992 15.071 1.00 3.35 C ATOM 750 C PRO A 47 29.544 -12.180 15.001 1.00 32.23 C ATOM 751 O PRO A 47 29.471 -12.974 14.064 1.00 60.40 O ATOM 752 CB PRO A 47 29.261 -9.725 14.502 1.00 22.12 C ATOM 753 CG PRO A 47 29.690 -8.944 15.703 1.00 61.03 C ATOM 754 CD PRO A 47 28.652 -9.238 16.783 1.00 72.21 C ATOM 0 HA PRO A 47 27.730 -11.303 14.505 1.00 3.35 H new ATOM 0 HB2 PRO A 47 30.111 -9.970 13.865 1.00 22.12 H new ATOM 0 HB3 PRO A 47 28.558 -9.158 13.892 1.00 22.12 H new ATOM 0 HG2 PRO A 47 30.687 -9.242 16.027 1.00 61.03 H new ATOM 0 HG3 PRO A 47 29.732 -7.878 15.481 1.00 61.03 H new ATOM 0 HD2 PRO A 47 29.071 -9.147 17.785 1.00 72.21 H new ATOM 0 HD3 PRO A 47 27.804 -8.556 16.728 1.00 72.21 H new ATOM 762 N VAL A 48 30.360 -12.355 16.020 1.00 2.22 N ATOM 763 CA VAL A 48 31.204 -13.530 16.079 1.00 3.34 C ATOM 764 C VAL A 48 30.337 -14.792 16.149 1.00 13.44 C ATOM 765 O VAL A 48 30.496 -15.715 15.351 1.00 24.32 O ATOM 766 CB VAL A 48 32.178 -13.451 17.287 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.432 -13.024 18.561 1.00 44.54 C ATOM 768 CG2 VAL A 48 32.840 -14.818 17.524 1.00 41.53 C ATOM 0 H VAL A 48 30.456 -11.711 16.805 1.00 2.22 H new ATOM 0 HA VAL A 48 31.808 -13.575 15.173 1.00 3.34 H new ATOM 0 HB VAL A 48 32.942 -12.709 17.056 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.133 -12.975 19.394 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.982 -12.043 18.408 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.651 -13.750 18.786 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.520 -14.750 18.373 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.072 -15.563 17.733 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.398 -15.111 16.635 1.00 41.53 H new ATOM 778 N LEU A 49 29.370 -14.783 17.056 1.00 54.44 N ATOM 779 CA LEU A 49 28.442 -15.899 17.198 1.00 52.43 C ATOM 780 C LEU A 49 27.462 -15.934 16.044 1.00 2.01 C ATOM 781 O LEU A 49 27.023 -16.992 15.621 1.00 62.52 O ATOM 782 CB LEU A 49 27.671 -15.794 18.517 1.00 62.41 C ATOM 783 CG LEU A 49 28.532 -16.327 19.673 1.00 55.31 C ATOM 784 CD1 LEU A 49 29.477 -15.230 20.162 1.00 45.40 C ATOM 785 CD2 LEU A 49 27.626 -16.766 20.828 1.00 21.42 C ATOM 0 H LEU A 49 29.207 -14.014 17.706 1.00 54.44 H new ATOM 0 HA LEU A 49 29.026 -16.819 17.196 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.396 -14.756 18.706 1.00 62.41 H new ATOM 0 HB3 LEU A 49 26.743 -16.362 18.452 1.00 62.41 H new ATOM 0 HG LEU A 49 29.115 -17.178 19.321 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.085 -15.613 20.982 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.126 -14.917 19.344 1.00 45.40 H new ATOM 0 HD13 LEU A 49 28.895 -14.377 20.510 1.00 45.40 H new ATOM 0 HD21 LEU A 49 28.238 -17.144 21.647 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.041 -15.915 21.175 1.00 21.42 H new ATOM 0 HD23 LEU A 49 26.954 -17.552 20.485 1.00 21.42 H new ATOM 797 N GLN A 50 27.038 -14.765 15.616 1.00 62.55 N ATOM 798 CA GLN A 50 26.013 -14.665 14.594 1.00 24.52 C ATOM 799 C GLN A 50 26.539 -15.152 13.245 1.00 43.40 C ATOM 800 O GLN A 50 26.864 -14.340 12.376 1.00 65.42 O ATOM 801 CB GLN A 50 25.506 -13.205 14.491 1.00 53.50 C ATOM 802 CG GLN A 50 23.998 -13.176 14.182 1.00 42.03 C ATOM 803 CD GLN A 50 23.757 -13.057 12.680 1.00 24.14 C ATOM 804 OE1 GLN A 50 22.640 -12.785 12.250 1.00 22.04 O ATOM 805 NE2 GLN A 50 24.731 -13.249 11.853 1.00 23.53 N ATOM 0 H GLN A 50 27.386 -13.869 15.958 1.00 62.55 H new ATOM 0 HA GLN A 50 25.178 -15.306 14.877 1.00 24.52 H new ATOM 0 HB2 GLN A 50 25.701 -12.680 15.426 1.00 53.50 H new ATOM 0 HB3 GLN A 50 26.053 -12.679 13.709 1.00 53.50 H new ATOM 0 HG2 GLN A 50 23.527 -14.083 14.560 1.00 42.03 H new ATOM 0 HG3 GLN A 50 23.532 -12.336 14.698 1.00 42.03 H new ATOM 0 HE21 GLN A 50 25.661 -13.475 12.205 1.00 23.53 H new ATOM 0 HE22 GLN A 50 24.570 -13.174 10.849 1.00 23.53 H new ATOM 814 N GLN A 51 26.609 -16.470 13.065 1.00 50.00 N ATOM 815 CA GLN A 51 27.069 -17.043 11.802 1.00 5.12 C ATOM 816 C GLN A 51 25.887 -17.574 11.000 1.00 24.14 C ATOM 817 O GLN A 51 25.110 -18.395 11.500 1.00 52.33 O ATOM 818 CB GLN A 51 28.067 -18.177 12.058 1.00 32.34 C ATOM 819 CG GLN A 51 29.246 -17.654 12.898 1.00 40.52 C ATOM 820 CD GLN A 51 29.958 -16.526 12.164 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.124 -16.586 10.939 1.00 2.14 O ATOM 822 NE2 GLN A 51 30.408 -15.511 12.827 1.00 64.45 N ATOM 0 H GLN A 51 26.354 -17.158 13.774 1.00 50.00 H new ATOM 0 HA GLN A 51 27.564 -16.257 11.232 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.573 -18.998 12.579 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.431 -18.574 11.111 1.00 32.34 H new ATOM 0 HG2 GLN A 51 28.884 -17.298 13.863 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.946 -18.465 13.099 1.00 40.52 H new ATOM 0 HE21 GLN A 51 30.272 -15.460 13.837 1.00 64.45 H new ATOM 0 HE22 GLN A 51 30.899 -14.761 12.340 1.00 64.45 H new ATOM 831 N TRP A 52 25.751 -17.111 9.760 1.00 42.04 N ATOM 832 CA TRP A 52 24.637 -17.528 8.915 1.00 31.04 C ATOM 833 C TRP A 52 25.023 -18.728 8.075 1.00 72.42 C ATOM 834 O TRP A 52 26.008 -18.681 7.316 1.00 1.43 O ATOM 835 CB TRP A 52 24.214 -16.387 7.978 1.00 75.43 C ATOM 836 CG TRP A 52 23.247 -15.490 8.672 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.506 -14.801 9.797 1.00 33.04 C ATOM 838 CD2 TRP A 52 21.880 -15.162 8.296 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.382 -14.070 10.146 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.352 -14.265 9.249 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.048 -15.560 7.230 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.052 -13.771 9.149 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.739 -15.064 7.128 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.243 -14.173 8.088 1.00 64.43 C ATOM 0 H TRP A 52 26.394 -16.452 9.321 1.00 42.04 H new ATOM 0 HA TRP A 52 23.806 -17.792 9.570 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.090 -15.819 7.665 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.760 -16.796 7.075 1.00 75.43 H new ATOM 0 HD1 TRP A 52 24.439 -14.815 10.341 1.00 33.04 H new ATOM 0 HE1 TRP A 52 22.323 -13.463 10.964 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.420 -16.251 6.488 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 19.674 -13.081 9.889 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 19.111 -15.371 6.305 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.234 -13.798 8.006 1.00 64.43 H new ATOM 855 N VAL A 53 24.182 -19.735 8.109 1.00 64.50 N ATOM 856 CA VAL A 53 24.336 -20.911 7.290 1.00 13.22 C ATOM 857 C VAL A 53 23.074 -21.091 6.462 1.00 24.40 C ATOM 858 O VAL A 53 21.965 -20.977 6.972 1.00 52.11 O ATOM 859 CB VAL A 53 24.567 -22.143 8.186 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.487 -23.435 7.361 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.945 -22.046 8.849 1.00 70.32 C ATOM 0 H VAL A 53 23.362 -19.759 8.715 1.00 64.50 H new ATOM 0 HA VAL A 53 25.196 -20.799 6.629 1.00 13.22 H new ATOM 0 HB VAL A 53 23.790 -22.167 8.950 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.653 -24.293 8.012 1.00 70.32 H new ATOM 0 HG12 VAL A 53 23.502 -23.513 6.902 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.250 -23.417 6.583 1.00 70.32 H new ATOM 0 HG21 VAL A 53 26.106 -22.918 9.482 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.717 -22.008 8.080 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.994 -21.142 9.457 1.00 70.32 H new ATOM 871 N ILE A 54 23.242 -21.310 5.189 1.00 31.32 N ATOM 872 CA ILE A 54 22.119 -21.540 4.308 1.00 2.42 C ATOM 873 C ILE A 54 22.508 -22.624 3.324 1.00 55.44 C ATOM 874 O ILE A 54 23.577 -22.553 2.720 1.00 64.42 O ATOM 875 CB ILE A 54 21.744 -20.245 3.578 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.327 -19.166 4.588 1.00 70.55 C ATOM 877 CG2 ILE A 54 20.579 -20.498 2.619 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.184 -17.822 3.870 1.00 33.44 C ATOM 0 H ILE A 54 24.152 -21.335 4.729 1.00 31.32 H new ATOM 0 HA ILE A 54 21.247 -21.859 4.879 1.00 2.42 H new ATOM 0 HB ILE A 54 22.615 -19.905 3.018 1.00 61.22 H new ATOM 0 HG12 ILE A 54 20.384 -19.440 5.060 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.070 -19.089 5.382 1.00 70.55 H new ATOM 0 HG21 ILE A 54 20.322 -19.571 2.106 1.00 73.52 H new ATOM 0 HG22 ILE A 54 20.869 -21.250 1.885 1.00 73.52 H new ATOM 0 HG23 ILE A 54 19.715 -20.853 3.181 1.00 73.52 H new ATOM 0 HD11 ILE A 54 20.888 -17.056 4.587 1.00 33.44 H new ATOM 0 HD12 ILE A 54 22.137 -17.547 3.419 1.00 33.44 H new ATOM 0 HD13 ILE A 54 20.425 -17.904 3.092 1.00 33.44 H new ATOM 890 N GLY A 55 21.670 -23.618 3.161 1.00 44.24 N ATOM 891 CA GLY A 55 21.992 -24.714 2.259 1.00 72.21 C ATOM 892 C GLY A 55 22.337 -24.180 0.876 1.00 2.10 C ATOM 893 O GLY A 55 23.202 -24.717 0.194 1.00 62.13 O ATOM 0 H GLY A 55 20.768 -23.698 3.631 1.00 44.24 H new ATOM 0 HA2 GLY A 55 22.832 -25.285 2.655 1.00 72.21 H new ATOM 0 HA3 GLY A 55 21.146 -25.398 2.191 1.00 72.21 H new ATOM 897 N GLN A 56 21.601 -23.174 0.435 1.00 71.41 N ATOM 898 CA GLN A 56 21.767 -22.645 -0.916 1.00 61.53 C ATOM 899 C GLN A 56 22.554 -21.328 -0.985 1.00 71.41 C ATOM 900 O GLN A 56 22.627 -20.718 -2.058 1.00 14.44 O ATOM 901 CB GLN A 56 20.403 -22.493 -1.591 1.00 1.42 C ATOM 902 CG GLN A 56 19.774 -23.879 -1.767 1.00 54.32 C ATOM 903 CD GLN A 56 20.587 -24.699 -2.766 1.00 14.01 C ATOM 904 OE1 GLN A 56 20.787 -24.268 -3.908 1.00 34.33 O ATOM 905 NE2 GLN A 56 21.073 -25.844 -2.416 1.00 5.11 N ATOM 0 H GLN A 56 20.883 -22.705 0.988 1.00 71.41 H new ATOM 0 HA GLN A 56 22.372 -23.375 -1.454 1.00 61.53 H new ATOM 0 HB2 GLN A 56 19.753 -21.859 -0.988 1.00 1.42 H new ATOM 0 HB3 GLN A 56 20.515 -22.005 -2.559 1.00 1.42 H new ATOM 0 HG2 GLN A 56 19.735 -24.394 -0.807 1.00 54.32 H new ATOM 0 HG3 GLN A 56 18.746 -23.779 -2.117 1.00 54.32 H new ATOM 0 HE21 GLN A 56 20.909 -26.201 -1.475 1.00 5.11 H new ATOM 0 HE22 GLN A 56 21.620 -26.390 -3.081 1.00 5.11 H new ATOM 914 N ARG A 57 23.126 -20.863 0.124 1.00 54.23 N ATOM 915 CA ARG A 57 23.892 -19.603 0.048 1.00 14.45 C ATOM 916 C ARG A 57 25.223 -19.818 -0.626 1.00 42.21 C ATOM 917 O ARG A 57 25.673 -20.951 -0.786 1.00 54.43 O ATOM 918 CB ARG A 57 24.117 -18.904 1.406 1.00 41.54 C ATOM 919 CG ARG A 57 25.058 -19.731 2.295 1.00 32.25 C ATOM 920 CD ARG A 57 25.578 -18.854 3.447 1.00 32.13 C ATOM 921 NE ARG A 57 26.432 -17.787 2.918 1.00 22.13 N ATOM 922 CZ ARG A 57 26.877 -16.783 3.680 1.00 2.30 C ATOM 923 NH1 ARG A 57 26.638 -16.777 4.971 1.00 74.12 N ATOM 924 NH2 ARG A 57 27.585 -15.835 3.144 1.00 71.11 N ATOM 0 H ARG A 57 23.085 -21.304 1.043 1.00 54.23 H new ATOM 0 HA ARG A 57 23.266 -18.937 -0.546 1.00 14.45 H new ATOM 0 HB2 ARG A 57 24.540 -17.913 1.244 1.00 41.54 H new ATOM 0 HB3 ARG A 57 23.161 -18.764 1.911 1.00 41.54 H new ATOM 0 HG2 ARG A 57 24.531 -20.598 2.693 1.00 32.25 H new ATOM 0 HG3 ARG A 57 25.894 -20.109 1.706 1.00 32.25 H new ATOM 0 HD2 ARG A 57 24.740 -18.423 3.994 1.00 32.13 H new ATOM 0 HD3 ARG A 57 26.140 -19.464 4.154 1.00 32.13 H new ATOM 0 HE ARG A 57 26.696 -17.811 1.933 1.00 22.13 H new ATOM 0 HH11 ARG A 57 26.111 -17.540 5.396 1.00 74.12 H new ATOM 0 HH12 ARG A 57 26.979 -16.009 5.549 1.00 74.12 H new ATOM 0 HH21 ARG A 57 27.798 -15.859 2.147 1.00 71.11 H new ATOM 0 HH22 ARG A 57 27.927 -15.066 3.720 1.00 71.11 H new ATOM 938 N LEU A 58 25.879 -18.723 -0.931 1.00 65.05 N ATOM 939 CA LEU A 58 27.209 -18.734 -1.507 1.00 31.53 C ATOM 940 C LEU A 58 28.158 -17.978 -0.591 1.00 54.55 C ATOM 941 O LEU A 58 27.705 -17.168 0.247 1.00 13.21 O ATOM 942 CB LEU A 58 27.185 -18.102 -2.900 1.00 52.33 C ATOM 943 CG LEU A 58 26.198 -18.871 -3.806 1.00 32.24 C ATOM 944 CD1 LEU A 58 26.124 -18.194 -5.169 1.00 61.12 C ATOM 945 CD2 LEU A 58 26.684 -20.313 -3.992 1.00 55.40 C ATOM 0 H LEU A 58 25.502 -17.786 -0.785 1.00 65.05 H new ATOM 0 HA LEU A 58 27.555 -19.763 -1.607 1.00 31.53 H new ATOM 0 HB2 LEU A 58 26.889 -17.055 -2.830 1.00 52.33 H new ATOM 0 HB3 LEU A 58 28.184 -18.122 -3.336 1.00 52.33 H new ATOM 0 HG LEU A 58 25.213 -18.873 -3.340 1.00 32.24 H new ATOM 0 HD11 LEU A 58 25.427 -18.737 -5.808 1.00 61.12 H new ATOM 0 HD12 LEU A 58 25.779 -17.167 -5.047 1.00 61.12 H new ATOM 0 HD13 LEU A 58 27.112 -18.193 -5.629 1.00 61.12 H new ATOM 0 HD21 LEU A 58 25.986 -20.853 -4.632 1.00 55.40 H new ATOM 0 HD22 LEU A 58 27.671 -20.308 -4.456 1.00 55.40 H new ATOM 0 HD23 LEU A 58 26.742 -20.805 -3.021 1.00 55.40 H new ATOM 957 N ALA A 59 29.444 -18.282 -0.684 1.00 35.55 N ATOM 958 CA ALA A 59 30.469 -17.657 0.164 1.00 42.01 C ATOM 959 C ALA A 59 30.544 -16.144 -0.063 1.00 65.22 C ATOM 960 O ALA A 59 31.635 -15.569 -0.164 1.00 41.30 O ATOM 961 CB ALA A 59 31.840 -18.294 -0.093 1.00 11.31 C ATOM 0 H ALA A 59 29.814 -18.966 -1.345 1.00 35.55 H new ATOM 0 HA ALA A 59 30.183 -17.828 1.202 1.00 42.01 H new ATOM 0 HB1 ALA A 59 32.587 -17.819 0.543 1.00 11.31 H new ATOM 0 HB2 ALA A 59 31.795 -19.359 0.134 1.00 11.31 H new ATOM 0 HB3 ALA A 59 32.115 -18.157 -1.139 1.00 11.31 H new ATOM 967 N ARG A 60 29.384 -15.509 -0.136 1.00 75.14 N ATOM 968 CA ARG A 60 29.300 -14.073 -0.324 1.00 23.34 C ATOM 969 C ARG A 60 28.171 -13.506 0.525 1.00 54.11 C ATOM 970 O ARG A 60 27.003 -13.599 0.156 1.00 12.14 O ATOM 971 CB ARG A 60 29.075 -13.749 -1.813 1.00 30.40 C ATOM 972 CG ARG A 60 29.573 -12.337 -2.136 1.00 11.11 C ATOM 973 CD ARG A 60 30.979 -12.447 -2.732 1.00 21.13 C ATOM 974 NE ARG A 60 31.795 -13.280 -1.855 1.00 41.43 N ATOM 975 CZ ARG A 60 32.475 -12.781 -0.830 1.00 20.23 C ATOM 976 NH1 ARG A 60 32.491 -11.497 -0.618 1.00 64.24 N ATOM 977 NH2 ARG A 60 33.092 -13.585 -0.018 1.00 14.15 N ATOM 0 H ARG A 60 28.479 -15.975 -0.067 1.00 75.14 H new ATOM 0 HA ARG A 60 30.237 -13.614 -0.009 1.00 23.34 H new ATOM 0 HB2 ARG A 60 29.599 -14.476 -2.433 1.00 30.40 H new ATOM 0 HB3 ARG A 60 28.015 -13.831 -2.053 1.00 30.40 H new ATOM 0 HG2 ARG A 60 28.899 -11.849 -2.840 1.00 11.11 H new ATOM 0 HG3 ARG A 60 29.590 -11.725 -1.234 1.00 11.11 H new ATOM 0 HD2 ARG A 60 30.933 -12.881 -3.731 1.00 21.13 H new ATOM 0 HD3 ARG A 60 31.424 -11.457 -2.835 1.00 21.13 H new ATOM 0 HE ARG A 60 31.845 -14.283 -2.036 1.00 41.43 H new ATOM 0 HH11 ARG A 60 31.980 -10.871 -1.240 1.00 64.24 H new ATOM 0 HH12 ARG A 60 33.014 -11.117 0.171 1.00 64.24 H new ATOM 0 HH21 ARG A 60 33.052 -14.593 -0.170 1.00 14.15 H new ATOM 0 HH22 ARG A 60 33.616 -13.209 0.772 1.00 14.15 H new ATOM 991 N ASP A 61 28.523 -12.883 1.638 1.00 5.24 N ATOM 992 CA ASP A 61 27.521 -12.253 2.499 1.00 62.30 C ATOM 993 C ASP A 61 26.856 -11.135 1.731 1.00 23.25 C ATOM 994 O ASP A 61 25.680 -10.821 1.930 1.00 41.02 O ATOM 995 CB ASP A 61 28.164 -11.693 3.780 1.00 4.03 C ATOM 996 CG ASP A 61 28.554 -12.808 4.739 1.00 13.24 C ATOM 997 OD1 ASP A 61 28.194 -13.942 4.499 1.00 24.14 O ATOM 998 OD2 ASP A 61 29.215 -12.520 5.702 1.00 33.05 O ATOM 0 H ASP A 61 29.484 -12.797 1.969 1.00 5.24 H new ATOM 0 HA ASP A 61 26.785 -13.002 2.793 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.047 -11.109 3.520 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.467 -11.015 4.272 1.00 4.03 H new ATOM 1003 N GLN A 62 27.645 -10.508 0.898 1.00 12.52 N ATOM 1004 CA GLN A 62 27.222 -9.394 0.094 1.00 34.33 C ATOM 1005 C GLN A 62 26.258 -9.836 -1.014 1.00 44.45 C ATOM 1006 O GLN A 62 25.795 -9.004 -1.814 1.00 1.43 O ATOM 1007 CB GLN A 62 28.457 -8.728 -0.512 1.00 0.02 C ATOM 1008 CG GLN A 62 29.429 -8.336 0.619 1.00 25.23 C ATOM 1009 CD GLN A 62 30.357 -9.498 0.985 1.00 11.12 C ATOM 1010 OE1 GLN A 62 30.053 -10.658 0.696 1.00 1.45 O ATOM 1011 NE2 GLN A 62 31.466 -9.261 1.604 1.00 15.21 N ATOM 0 H GLN A 62 28.622 -10.765 0.757 1.00 12.52 H new ATOM 0 HA GLN A 62 26.687 -8.685 0.726 1.00 34.33 H new ATOM 0 HB2 GLN A 62 28.947 -9.408 -1.209 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.166 -7.844 -1.080 1.00 0.02 H new ATOM 0 HG2 GLN A 62 30.024 -7.477 0.308 1.00 25.23 H new ATOM 0 HG3 GLN A 62 28.862 -8.030 1.498 1.00 25.23 H new ATOM 0 HE21 GLN A 62 31.721 -8.303 1.845 1.00 15.21 H new ATOM 0 HE22 GLN A 62 32.086 -10.032 1.852 1.00 15.21 H new ATOM 1020 N GLU A 63 25.978 -11.132 -1.098 1.00 4.31 N ATOM 1021 CA GLU A 63 25.074 -11.633 -2.130 1.00 63.23 C ATOM 1022 C GLU A 63 23.624 -11.374 -1.769 1.00 22.23 C ATOM 1023 O GLU A 63 23.291 -11.141 -0.594 1.00 10.12 O ATOM 1024 CB GLU A 63 25.295 -13.125 -2.414 1.00 4.24 C ATOM 1025 CG GLU A 63 25.241 -13.379 -3.931 1.00 13.54 C ATOM 1026 CD GLU A 63 26.328 -12.582 -4.638 1.00 55.25 C ATOM 1027 OE1 GLU A 63 27.469 -13.000 -4.589 1.00 51.42 O ATOM 1028 OE2 GLU A 63 26.008 -11.554 -5.213 1.00 33.23 O ATOM 0 H GLU A 63 26.356 -11.846 -0.475 1.00 4.31 H new ATOM 0 HA GLU A 63 25.306 -11.083 -3.042 1.00 63.23 H new ATOM 0 HB2 GLU A 63 26.259 -13.441 -2.017 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.532 -13.718 -1.909 1.00 4.24 H new ATOM 0 HG2 GLU A 63 25.370 -14.442 -4.134 1.00 13.54 H new ATOM 0 HG3 GLU A 63 24.262 -13.097 -4.319 1.00 13.54 H new ATOM 1035 N THR A 64 22.778 -11.395 -2.778 1.00 35.12 N ATOM 1036 CA THR A 64 21.354 -11.157 -2.624 1.00 71.14 C ATOM 1037 C THR A 64 20.675 -12.357 -1.976 1.00 54.02 C ATOM 1038 O THR A 64 21.150 -13.490 -2.123 1.00 2.04 O ATOM 1039 CB THR A 64 20.758 -10.903 -4.012 1.00 71.33 C ATOM 1040 OG1 THR A 64 21.675 -11.379 -5.002 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.523 -9.410 -4.207 1.00 70.13 C ATOM 0 H THR A 64 23.061 -11.580 -3.740 1.00 35.12 H new ATOM 0 HA THR A 64 21.194 -10.293 -1.979 1.00 71.14 H new ATOM 0 HB THR A 64 19.806 -11.426 -4.106 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.837 -12.336 -4.864 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.099 -9.234 -5.196 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.831 -9.048 -3.446 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.470 -8.878 -4.119 1.00 70.13 H new ATOM 1049 N LEU A 65 19.568 -12.127 -1.282 1.00 11.25 N ATOM 1050 CA LEU A 65 18.844 -13.228 -0.651 1.00 22.02 C ATOM 1051 C LEU A 65 18.336 -14.175 -1.723 1.00 11.33 C ATOM 1052 O LEU A 65 18.477 -15.392 -1.617 1.00 62.22 O ATOM 1053 CB LEU A 65 17.652 -12.702 0.159 1.00 34.52 C ATOM 1054 CG LEU A 65 18.139 -11.833 1.325 1.00 14.33 C ATOM 1055 CD1 LEU A 65 16.935 -11.253 2.059 1.00 43.21 C ATOM 1056 CD2 LEU A 65 18.986 -12.652 2.306 1.00 30.03 C ATOM 0 H LEU A 65 19.155 -11.205 -1.142 1.00 11.25 H new ATOM 0 HA LEU A 65 19.524 -13.750 0.022 1.00 22.02 H new ATOM 0 HB2 LEU A 65 16.994 -12.120 -0.486 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.066 -13.538 0.540 1.00 34.52 H new ATOM 0 HG LEU A 65 18.757 -11.030 0.923 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.278 -10.635 2.889 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.348 -10.644 1.371 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.317 -12.065 2.443 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.318 -12.011 3.123 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.389 -13.471 2.707 1.00 30.03 H new ATOM 0 HD23 LEU A 65 19.854 -13.057 1.787 1.00 30.03 H new ATOM 1068 N HIS A 66 17.816 -13.594 -2.795 1.00 73.23 N ATOM 1069 CA HIS A 66 17.321 -14.372 -3.923 1.00 34.14 C ATOM 1070 C HIS A 66 18.407 -15.307 -4.440 1.00 10.32 C ATOM 1071 O HIS A 66 18.117 -16.351 -5.024 1.00 1.13 O ATOM 1072 CB HIS A 66 16.838 -13.454 -5.052 1.00 25.42 C ATOM 1073 CG HIS A 66 15.898 -14.219 -5.951 1.00 52.33 C ATOM 1074 ND1 HIS A 66 16.281 -15.390 -6.590 1.00 11.11 N ATOM 1075 CD2 HIS A 66 14.598 -13.983 -6.345 1.00 15.50 C ATOM 1076 CE1 HIS A 66 15.233 -15.807 -7.331 1.00 44.55 C ATOM 1077 NE2 HIS A 66 14.183 -14.983 -7.217 1.00 53.54 N ATOM 0 H HIS A 66 17.726 -12.584 -2.908 1.00 73.23 H new ATOM 0 HA HIS A 66 16.476 -14.967 -3.577 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.333 -12.582 -4.636 1.00 25.42 H new ATOM 0 HB3 HIS A 66 17.689 -13.086 -5.626 1.00 25.42 H new ATOM 0 HD1 HIS A 66 17.188 -15.851 -6.514 1.00 11.11 H new ATOM 0 HD2 HIS A 66 13.993 -13.147 -6.025 1.00 15.50 H new ATOM 0 HE1 HIS A 66 15.240 -16.697 -7.942 1.00 44.55 H new ATOM 1086 N SER A 67 19.659 -14.921 -4.235 1.00 14.51 N ATOM 1087 CA SER A 67 20.783 -15.711 -4.714 1.00 21.22 C ATOM 1088 C SER A 67 20.744 -17.114 -4.116 1.00 5.04 C ATOM 1089 O SER A 67 21.076 -18.090 -4.789 1.00 31.30 O ATOM 1090 CB SER A 67 22.100 -15.026 -4.346 1.00 53.23 C ATOM 1091 OG SER A 67 21.915 -13.613 -4.380 1.00 52.30 O ATOM 0 H SER A 67 19.921 -14.068 -3.741 1.00 14.51 H new ATOM 0 HA SER A 67 20.712 -15.791 -5.799 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.422 -15.339 -3.353 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.885 -15.320 -5.043 1.00 53.23 H new ATOM 0 HG SER A 67 21.977 -13.253 -3.471 1.00 52.30 H new ATOM 1097 N HIS A 68 20.292 -17.227 -2.864 1.00 71.23 N ATOM 1098 CA HIS A 68 20.176 -18.543 -2.242 1.00 44.15 C ATOM 1099 C HIS A 68 18.799 -19.143 -2.465 1.00 51.40 C ATOM 1100 O HIS A 68 18.498 -20.229 -1.977 1.00 71.43 O ATOM 1101 CB HIS A 68 20.621 -18.554 -0.755 1.00 24.14 C ATOM 1102 CG HIS A 68 19.492 -18.306 0.224 1.00 33.13 C ATOM 1103 ND1 HIS A 68 19.466 -17.192 1.048 1.00 40.22 N ATOM 1104 CD2 HIS A 68 18.386 -19.053 0.575 1.00 74.41 C ATOM 1105 CE1 HIS A 68 18.388 -17.303 1.850 1.00 31.20 C ATOM 1106 NE2 HIS A 68 17.693 -18.419 1.602 1.00 62.11 N ATOM 0 H HIS A 68 20.008 -16.444 -2.276 1.00 71.23 H new ATOM 0 HA HIS A 68 20.886 -19.198 -2.748 1.00 44.15 H new ATOM 0 HB2 HIS A 68 21.079 -19.517 -0.530 1.00 24.14 H new ATOM 0 HB3 HIS A 68 21.389 -17.794 -0.610 1.00 24.14 H new ATOM 0 HD2 HIS A 68 18.101 -19.990 0.120 1.00 74.41 H new ATOM 0 HE1 HIS A 68 18.118 -16.577 2.603 1.00 31.20 H new ATOM 0 HE2 HIS A 68 16.841 -18.736 2.065 1.00 62.11 H new ATOM 1115 N GLY A 69 18.033 -18.514 -3.345 1.00 24.31 N ATOM 1116 CA GLY A 69 16.762 -19.063 -3.770 1.00 1.43 C ATOM 1117 C GLY A 69 15.582 -18.438 -3.058 1.00 24.22 C ATOM 1118 O GLY A 69 14.441 -18.861 -3.269 1.00 54.34 O ATOM 0 H GLY A 69 18.274 -17.622 -3.777 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.650 -18.917 -4.844 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.759 -20.138 -3.592 1.00 1.43 H new ATOM 1122 N VAL A 70 15.815 -17.403 -2.253 1.00 14.11 N ATOM 1123 CA VAL A 70 14.688 -16.746 -1.615 1.00 2.23 C ATOM 1124 C VAL A 70 13.944 -15.945 -2.655 1.00 63.41 C ATOM 1125 O VAL A 70 14.152 -14.745 -2.803 1.00 21.42 O ATOM 1126 CB VAL A 70 15.172 -15.815 -0.499 1.00 22.03 C ATOM 1127 CG1 VAL A 70 13.987 -15.379 0.364 1.00 73.22 C ATOM 1128 CG2 VAL A 70 16.162 -16.554 0.372 1.00 4.51 C ATOM 0 H VAL A 70 16.734 -17.018 -2.036 1.00 14.11 H new ATOM 0 HA VAL A 70 14.032 -17.498 -1.177 1.00 2.23 H new ATOM 0 HB VAL A 70 15.643 -14.938 -0.944 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.338 -14.717 1.156 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.261 -14.852 -0.255 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.517 -16.257 0.807 1.00 73.22 H new ATOM 0 HG21 VAL A 70 16.509 -15.895 1.168 1.00 4.51 H new ATOM 0 HG22 VAL A 70 15.680 -17.428 0.809 1.00 4.51 H new ATOM 0 HG23 VAL A 70 17.012 -16.872 -0.232 1.00 4.51 H new ATOM 1138 N ARG A 71 13.078 -16.616 -3.370 1.00 60.24 N ATOM 1139 CA ARG A 71 12.275 -15.970 -4.380 1.00 5.14 C ATOM 1140 C ARG A 71 11.236 -15.099 -3.697 1.00 73.44 C ATOM 1141 O ARG A 71 10.944 -13.981 -4.126 1.00 42.30 O ATOM 1142 CB ARG A 71 11.567 -17.047 -5.194 1.00 72.31 C ATOM 1143 CG ARG A 71 12.603 -17.897 -5.940 1.00 42.42 C ATOM 1144 CD ARG A 71 11.883 -19.012 -6.698 1.00 13.23 C ATOM 1145 NE ARG A 71 11.176 -19.890 -5.748 1.00 43.00 N ATOM 1146 CZ ARG A 71 11.825 -20.752 -4.947 1.00 42.14 C ATOM 1147 NH1 ARG A 71 13.132 -20.812 -4.976 1.00 15.55 N ATOM 1148 NH2 ARG A 71 11.152 -21.516 -4.123 1.00 31.11 N ATOM 0 H ARG A 71 12.909 -17.617 -3.271 1.00 60.24 H new ATOM 0 HA ARG A 71 12.900 -15.358 -5.030 1.00 5.14 H new ATOM 0 HB2 ARG A 71 10.969 -17.679 -4.537 1.00 72.31 H new ATOM 0 HB3 ARG A 71 10.881 -16.587 -5.905 1.00 72.31 H new ATOM 0 HG2 ARG A 71 13.170 -17.276 -6.634 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.318 -18.322 -5.236 1.00 42.42 H new ATOM 0 HD2 ARG A 71 11.174 -18.583 -7.406 1.00 13.23 H new ATOM 0 HD3 ARG A 71 12.601 -19.592 -7.277 1.00 13.23 H new ATOM 0 HE ARG A 71 10.158 -19.842 -5.697 1.00 43.00 H new ATOM 0 HH11 ARG A 71 13.657 -20.205 -5.606 1.00 15.55 H new ATOM 0 HH12 ARG A 71 13.626 -21.466 -4.369 1.00 15.55 H new ATOM 0 HH21 ARG A 71 10.134 -21.457 -4.089 1.00 31.11 H new ATOM 0 HH22 ARG A 71 11.646 -22.170 -3.515 1.00 31.11 H new ATOM 1162 N GLN A 72 10.640 -15.671 -2.667 1.00 22.33 N ATOM 1163 CA GLN A 72 9.560 -15.064 -1.922 1.00 11.22 C ATOM 1164 C GLN A 72 9.587 -15.536 -0.482 1.00 63.41 C ATOM 1165 O GLN A 72 10.415 -16.376 -0.113 1.00 54.20 O ATOM 1166 CB GLN A 72 8.223 -15.439 -2.560 1.00 72.22 C ATOM 1167 CG GLN A 72 8.066 -14.683 -3.873 1.00 11.44 C ATOM 1168 CD GLN A 72 6.823 -15.152 -4.587 1.00 64.24 C ATOM 1169 OE1 GLN A 72 5.865 -14.397 -4.725 1.00 55.53 O ATOM 1170 NE2 GLN A 72 6.779 -16.355 -5.053 1.00 55.43 N ATOM 0 H GLN A 72 10.902 -16.593 -2.319 1.00 22.33 H new ATOM 0 HA GLN A 72 9.682 -13.981 -1.941 1.00 11.22 H new ATOM 0 HB2 GLN A 72 8.180 -16.514 -2.738 1.00 72.22 H new ATOM 0 HB3 GLN A 72 7.403 -15.194 -1.885 1.00 72.22 H new ATOM 0 HG2 GLN A 72 8.004 -13.612 -3.681 1.00 11.44 H new ATOM 0 HG3 GLN A 72 8.941 -14.844 -4.503 1.00 11.44 H new ATOM 0 HE21 GLN A 72 7.579 -16.977 -4.935 1.00 55.43 H new ATOM 0 HE22 GLN A 72 5.945 -16.683 -5.539 1.00 55.43 H new ATOM 1179 N ASN A 73 8.636 -15.059 0.312 1.00 71.53 N ATOM 1180 CA ASN A 73 8.524 -15.499 1.697 1.00 20.42 C ATOM 1181 C ASN A 73 8.304 -16.996 1.740 1.00 52.02 C ATOM 1182 O ASN A 73 7.962 -17.606 0.726 1.00 44.32 O ATOM 1183 CB ASN A 73 7.382 -14.762 2.432 1.00 43.42 C ATOM 1184 CG ASN A 73 6.102 -15.588 2.419 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.919 -16.453 3.270 1.00 70.33 O ATOM 1186 ND2 ASN A 73 5.206 -15.373 1.513 1.00 55.51 N ATOM 0 H ASN A 73 7.937 -14.374 0.024 1.00 71.53 H new ATOM 0 HA ASN A 73 9.454 -15.257 2.211 1.00 20.42 H new ATOM 0 HB2 ASN A 73 7.678 -14.560 3.461 1.00 43.42 H new ATOM 0 HB3 ASN A 73 7.202 -13.798 1.957 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.347 -15.922 1.505 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.358 -14.654 0.806 1.00 55.51 H new ATOM 1193 N GLY A 74 8.515 -17.586 2.895 1.00 42.33 N ATOM 1194 CA GLY A 74 8.362 -19.022 3.048 1.00 72.21 C ATOM 1195 C GLY A 74 9.713 -19.701 3.161 1.00 53.51 C ATOM 1196 O GLY A 74 9.812 -20.828 3.663 1.00 53.41 O ATOM 0 H GLY A 74 8.793 -17.096 3.745 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.768 -19.236 3.936 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.817 -19.427 2.195 1.00 72.21 H new ATOM 1200 N ASP A 75 10.768 -18.999 2.748 1.00 74.32 N ATOM 1201 CA ASP A 75 12.117 -19.531 2.888 1.00 40.23 C ATOM 1202 C ASP A 75 12.581 -19.405 4.324 1.00 33.23 C ATOM 1203 O ASP A 75 12.052 -18.592 5.095 1.00 22.31 O ATOM 1204 CB ASP A 75 13.119 -18.830 1.957 1.00 54.44 C ATOM 1205 CG ASP A 75 14.440 -19.597 1.962 1.00 32.10 C ATOM 1206 OD1 ASP A 75 14.434 -20.752 1.567 1.00 43.04 O ATOM 1207 OD2 ASP A 75 15.437 -19.038 2.371 1.00 41.44 O ATOM 0 H ASP A 75 10.714 -18.075 2.320 1.00 74.32 H new ATOM 0 HA ASP A 75 12.079 -20.582 2.602 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.718 -18.781 0.945 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.281 -17.803 2.286 1.00 54.44 H new ATOM 1212 N SER A 76 13.589 -20.168 4.665 1.00 54.11 N ATOM 1213 CA SER A 76 14.168 -20.127 5.982 1.00 54.23 C ATOM 1214 C SER A 76 15.683 -20.029 5.876 1.00 1.51 C ATOM 1215 O SER A 76 16.267 -20.446 4.876 1.00 74.44 O ATOM 1216 CB SER A 76 13.773 -21.375 6.785 1.00 52.41 C ATOM 1217 OG SER A 76 14.133 -21.192 8.156 1.00 21.32 O ATOM 0 H SER A 76 14.032 -20.837 4.034 1.00 54.11 H new ATOM 0 HA SER A 76 13.788 -19.249 6.504 1.00 54.23 H new ATOM 0 HB2 SER A 76 12.701 -21.551 6.700 1.00 52.41 H new ATOM 0 HB3 SER A 76 14.274 -22.255 6.381 1.00 52.41 H new ATOM 0 HG SER A 76 14.059 -20.243 8.390 1.00 21.32 H new ATOM 1223 N ALA A 77 16.319 -19.548 6.930 1.00 33.13 N ATOM 1224 CA ALA A 77 17.775 -19.465 6.966 1.00 74.42 C ATOM 1225 C ALA A 77 18.291 -20.062 8.260 1.00 71.15 C ATOM 1226 O ALA A 77 17.502 -20.399 9.153 1.00 14.41 O ATOM 1227 CB ALA A 77 18.238 -18.013 6.828 1.00 5.24 C ATOM 0 H ALA A 77 15.854 -19.209 7.772 1.00 33.13 H new ATOM 0 HA ALA A 77 18.178 -20.031 6.126 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.327 -17.974 6.857 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.886 -17.607 5.880 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.832 -17.422 7.649 1.00 5.24 H new ATOM 1233 N TYR A 78 19.583 -20.308 8.314 1.00 12.02 N ATOM 1234 CA TYR A 78 20.170 -21.023 9.432 1.00 11.21 C ATOM 1235 C TYR A 78 21.251 -20.176 10.097 1.00 11.53 C ATOM 1236 O TYR A 78 22.246 -19.825 9.470 1.00 70.42 O ATOM 1237 CB TYR A 78 20.793 -22.322 8.893 1.00 33.45 C ATOM 1238 CG TYR A 78 20.545 -23.485 9.806 1.00 43.33 C ATOM 1239 CD1 TYR A 78 19.255 -24.005 9.929 1.00 61.00 C ATOM 1240 CD2 TYR A 78 21.611 -24.069 10.498 1.00 21.22 C ATOM 1241 CE1 TYR A 78 19.026 -25.107 10.754 1.00 1.34 C ATOM 1242 CE2 TYR A 78 21.385 -25.176 11.315 1.00 41.13 C ATOM 1243 CZ TYR A 78 20.092 -25.693 11.445 1.00 43.02 C ATOM 1244 OH TYR A 78 19.869 -26.794 12.237 1.00 40.42 O ATOM 0 H TYR A 78 20.250 -20.024 7.596 1.00 12.02 H new ATOM 0 HA TYR A 78 19.402 -21.243 10.174 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.381 -22.540 7.908 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.867 -22.184 8.766 1.00 33.45 H new ATOM 0 HD1 TYR A 78 18.436 -23.555 9.387 1.00 61.00 H new ATOM 0 HD2 TYR A 78 22.607 -23.663 10.400 1.00 21.22 H new ATOM 0 HE1 TYR A 78 18.028 -25.507 10.859 1.00 1.34 H new ATOM 0 HE2 TYR A 78 22.207 -25.633 11.846 1.00 41.13 H new ATOM 0 HH TYR A 78 20.554 -26.838 12.937 1.00 40.42 H new ATOM 1254 N LEU A 79 21.088 -19.925 11.374 1.00 25.24 N ATOM 1255 CA LEU A 79 22.083 -19.223 12.170 1.00 53.21 C ATOM 1256 C LEU A 79 22.778 -20.192 13.096 1.00 53.55 C ATOM 1257 O LEU A 79 22.126 -20.877 13.881 1.00 62.25 O ATOM 1258 CB LEU A 79 21.433 -18.100 12.988 1.00 53.33 C ATOM 1259 CG LEU A 79 21.908 -16.735 12.473 1.00 44.43 C ATOM 1260 CD1 LEU A 79 21.036 -15.628 13.066 1.00 75.51 C ATOM 1261 CD2 LEU A 79 23.364 -16.523 12.909 1.00 71.21 C ATOM 0 H LEU A 79 20.258 -20.201 11.899 1.00 25.24 H new ATOM 0 HA LEU A 79 22.814 -18.780 11.493 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.347 -18.168 12.916 1.00 53.33 H new ATOM 0 HB3 LEU A 79 21.690 -18.210 14.041 1.00 53.33 H new ATOM 0 HG LEU A 79 21.834 -16.705 11.386 1.00 44.43 H new ATOM 0 HD11 LEU A 79 21.376 -14.660 12.698 1.00 75.51 H new ATOM 0 HD12 LEU A 79 19.999 -15.784 12.770 1.00 75.51 H new ATOM 0 HD13 LEU A 79 21.110 -15.649 14.153 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.714 -15.556 12.549 1.00 71.21 H new ATOM 0 HD22 LEU A 79 23.426 -16.549 13.997 1.00 71.21 H new ATOM 0 HD23 LEU A 79 23.988 -17.313 12.491 1.00 71.21 H new ATOM 1273 N TYR A 80 24.090 -20.217 13.048 1.00 5.12 N ATOM 1274 CA TYR A 80 24.848 -21.084 13.928 1.00 41.02 C ATOM 1275 C TYR A 80 25.651 -20.241 14.893 1.00 42.44 C ATOM 1276 O TYR A 80 26.441 -19.398 14.466 1.00 55.24 O ATOM 1277 CB TYR A 80 25.790 -21.980 13.109 1.00 20.13 C ATOM 1278 CG TYR A 80 26.041 -23.261 13.869 1.00 72.33 C ATOM 1279 CD1 TYR A 80 26.712 -23.226 15.095 1.00 32.42 C ATOM 1280 CD2 TYR A 80 25.597 -24.481 13.350 1.00 60.13 C ATOM 1281 CE1 TYR A 80 26.933 -24.411 15.805 1.00 4.45 C ATOM 1282 CE2 TYR A 80 25.819 -25.664 14.055 1.00 34.21 C ATOM 1283 CZ TYR A 80 26.487 -25.632 15.281 1.00 1.20 C ATOM 1284 OH TYR A 80 26.708 -26.806 15.975 1.00 2.11 O ATOM 0 H TYR A 80 24.654 -19.651 12.414 1.00 5.12 H new ATOM 0 HA TYR A 80 24.159 -21.719 14.485 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.348 -22.200 12.137 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.731 -21.464 12.922 1.00 20.13 H new ATOM 0 HD1 TYR A 80 27.060 -22.284 15.494 1.00 32.42 H new ATOM 0 HD2 TYR A 80 25.081 -24.507 12.402 1.00 60.13 H new ATOM 0 HE1 TYR A 80 27.446 -24.385 16.755 1.00 4.45 H new ATOM 0 HE2 TYR A 80 25.474 -26.605 13.653 1.00 34.21 H new ATOM 0 HH TYR A 80 26.334 -27.559 15.472 1.00 2.11 H new ATOM 1294 N LEU A 81 25.460 -20.459 16.185 1.00 0.03 N ATOM 1295 CA LEU A 81 26.188 -19.693 17.185 1.00 31.14 C ATOM 1296 C LEU A 81 27.208 -20.568 17.889 1.00 52.43 C ATOM 1297 O LEU A 81 26.861 -21.591 18.481 1.00 25.33 O ATOM 1298 CB LEU A 81 25.222 -19.068 18.205 1.00 11.44 C ATOM 1299 CG LEU A 81 24.571 -17.804 17.603 1.00 63.32 C ATOM 1300 CD1 LEU A 81 23.656 -18.187 16.437 1.00 74.33 C ATOM 1301 CD2 LEU A 81 23.753 -17.080 18.674 1.00 62.13 C ATOM 0 H LEU A 81 24.814 -21.152 16.563 1.00 0.03 H new ATOM 0 HA LEU A 81 26.716 -18.887 16.676 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.452 -19.789 18.479 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.759 -18.812 19.118 1.00 11.44 H new ATOM 0 HG LEU A 81 25.359 -17.144 17.239 1.00 63.32 H new ATOM 0 HD11 LEU A 81 23.202 -17.288 16.020 1.00 74.33 H new ATOM 0 HD12 LEU A 81 24.240 -18.690 15.666 1.00 74.33 H new ATOM 0 HD13 LEU A 81 22.873 -18.857 16.793 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.296 -16.189 18.243 1.00 62.13 H new ATOM 0 HD22 LEU A 81 22.973 -17.744 19.046 1.00 62.13 H new ATOM 0 HD23 LEU A 81 24.406 -16.791 19.497 1.00 62.13 H new ATOM 1313 N LEU A 82 28.460 -20.145 17.846 1.00 41.20 N ATOM 1314 CA LEU A 82 29.544 -20.866 18.495 1.00 33.24 C ATOM 1315 C LEU A 82 29.528 -20.610 19.990 1.00 52.35 C ATOM 1316 O LEU A 82 28.970 -19.609 20.448 1.00 61.23 O ATOM 1317 CB LEU A 82 30.903 -20.461 17.912 1.00 34.41 C ATOM 1318 CG LEU A 82 31.045 -20.932 16.437 1.00 5.31 C ATOM 1319 CD1 LEU A 82 30.477 -22.342 16.251 1.00 4.22 C ATOM 1320 CD2 LEU A 82 30.324 -19.962 15.495 1.00 74.54 C ATOM 0 H LEU A 82 28.754 -19.296 17.363 1.00 41.20 H new ATOM 0 HA LEU A 82 29.394 -21.930 18.313 1.00 33.24 H new ATOM 0 HB2 LEU A 82 31.015 -19.378 17.963 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.703 -20.893 18.513 1.00 34.41 H new ATOM 0 HG LEU A 82 32.108 -20.949 16.195 1.00 5.31 H new ATOM 0 HD11 LEU A 82 30.590 -22.645 15.210 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.016 -23.039 16.893 1.00 4.22 H new ATOM 0 HD13 LEU A 82 29.420 -22.347 16.518 1.00 4.22 H new ATOM 0 HD21 LEU A 82 30.433 -20.306 14.466 1.00 74.54 H new ATOM 0 HD22 LEU A 82 29.266 -19.922 15.754 1.00 74.54 H new ATOM 0 HD23 LEU A 82 30.760 -18.968 15.593 1.00 74.54 H new ATOM 1332 N SER A 83 30.107 -21.527 20.749 1.00 72.52 N ATOM 1333 CA SER A 83 30.153 -21.400 22.196 1.00 14.32 C ATOM 1334 C SER A 83 30.816 -20.090 22.593 1.00 12.51 C ATOM 1335 O SER A 83 32.046 -19.980 22.578 1.00 43.32 O ATOM 1336 CB SER A 83 30.923 -22.573 22.796 1.00 65.22 C ATOM 1337 OG SER A 83 31.824 -23.083 21.812 1.00 63.53 O ATOM 0 H SER A 83 30.553 -22.369 20.385 1.00 72.52 H new ATOM 0 HA SER A 83 29.133 -21.406 22.579 1.00 14.32 H new ATOM 0 HB2 SER A 83 31.473 -22.251 23.680 1.00 65.22 H new ATOM 0 HB3 SER A 83 30.233 -23.353 23.116 1.00 65.22 H new ATOM 0 HG SER A 83 32.326 -23.837 22.187 1.00 63.53 H new ATOM 1343 N ALA A 84 30.014 -19.097 22.914 1.00 2.42 N ATOM 1344 CA ALA A 84 30.539 -17.803 23.286 1.00 12.40 C ATOM 1345 C ALA A 84 29.474 -16.960 23.945 1.00 24.54 C ATOM 1346 O ALA A 84 28.326 -17.371 24.061 1.00 65.31 O ATOM 1347 CB ALA A 84 31.104 -17.078 22.060 1.00 41.54 C ATOM 0 H ALA A 84 28.996 -19.162 22.924 1.00 2.42 H new ATOM 0 HA ALA A 84 31.346 -17.960 24.002 1.00 12.40 H new ATOM 0 HB1 ALA A 84 31.495 -16.106 22.360 1.00 41.54 H new ATOM 0 HB2 ALA A 84 31.907 -17.672 21.624 1.00 41.54 H new ATOM 0 HB3 ALA A 84 30.313 -16.939 21.323 1.00 41.54 H new ATOM 1353 N ARG A 85 29.851 -15.754 24.297 1.00 20.43 N ATOM 1354 CA ARG A 85 28.944 -14.781 24.867 1.00 2.21 C ATOM 1355 C ARG A 85 29.140 -13.475 24.139 1.00 70.24 C ATOM 1356 O ARG A 85 30.213 -13.236 23.587 1.00 2.14 O ATOM 1357 CB ARG A 85 29.234 -14.601 26.364 1.00 3.12 C ATOM 1358 CG ARG A 85 28.394 -15.597 27.190 1.00 73.00 C ATOM 1359 CD ARG A 85 29.116 -16.958 27.311 1.00 4.44 C ATOM 1360 NE ARG A 85 30.575 -16.818 27.231 1.00 10.23 N ATOM 1361 CZ ARG A 85 31.316 -16.409 28.262 1.00 63.44 C ATOM 1362 NH1 ARG A 85 30.743 -16.039 29.369 1.00 54.33 N ATOM 1363 NH2 ARG A 85 32.612 -16.361 28.146 1.00 55.53 N ATOM 0 H ARG A 85 30.807 -15.415 24.195 1.00 20.43 H new ATOM 0 HA ARG A 85 27.914 -15.120 24.760 1.00 2.21 H new ATOM 0 HB2 ARG A 85 30.295 -14.759 26.558 1.00 3.12 H new ATOM 0 HB3 ARG A 85 29.003 -13.580 26.667 1.00 3.12 H new ATOM 0 HG2 ARG A 85 28.211 -15.188 28.184 1.00 73.00 H new ATOM 0 HG3 ARG A 85 27.421 -15.737 26.719 1.00 73.00 H new ATOM 0 HD2 ARG A 85 28.849 -17.427 28.258 1.00 4.44 H new ATOM 0 HD3 ARG A 85 28.772 -17.622 26.518 1.00 4.44 H new ATOM 0 HE ARG A 85 31.041 -17.042 26.352 1.00 10.23 H new ATOM 0 HH11 ARG A 85 29.726 -16.061 29.449 1.00 54.33 H new ATOM 0 HH12 ARG A 85 31.310 -15.726 30.157 1.00 54.33 H new ATOM 0 HH21 ARG A 85 33.056 -16.635 27.270 1.00 55.53 H new ATOM 0 HH22 ARG A 85 33.183 -16.049 28.931 1.00 55.53 H new ATOM 1377 N ASN A 86 28.131 -12.628 24.119 1.00 72.42 N ATOM 1378 CA ASN A 86 28.279 -11.358 23.427 1.00 43.42 C ATOM 1379 C ASN A 86 29.347 -10.539 24.093 1.00 13.12 C ATOM 1380 O ASN A 86 29.221 -10.169 25.261 1.00 21.14 O ATOM 1381 CB ASN A 86 26.974 -10.564 23.391 1.00 53.32 C ATOM 1382 CG ASN A 86 27.224 -9.217 22.705 1.00 11.41 C ATOM 1383 OD1 ASN A 86 27.089 -9.109 21.416 1.00 50.23 O flip ATOM 1384 ND2 ASN A 86 27.564 -8.235 23.370 1.00 4.31 N flip ATOM 0 H ASN A 86 27.224 -12.785 24.559 1.00 72.42 H new ATOM 0 HA ASN A 86 28.560 -11.578 22.397 1.00 43.42 H new ATOM 0 HB2 ASN A 86 26.209 -11.123 22.853 1.00 53.32 H new ATOM 0 HB3 ASN A 86 26.602 -10.407 24.403 1.00 53.32 H new ATOM 0 HD21 ASN A 86 27.671 -8.316 24.381 1.00 4.31 H new ATOM 0 HD22 ASN A 86 27.738 -7.342 22.909 1.00 4.31 H new ATOM 1391 N THR A 87 30.407 -10.274 23.371 1.00 54.54 N ATOM 1392 CA THR A 87 31.486 -9.498 23.909 1.00 5.51 C ATOM 1393 C THR A 87 31.036 -8.048 23.977 1.00 42.40 C ATOM 1394 O THR A 87 30.541 -7.497 22.990 1.00 24.33 O ATOM 1395 CB THR A 87 32.715 -9.651 23.003 1.00 0.04 C ATOM 1396 OG1 THR A 87 32.585 -10.866 22.265 1.00 73.02 O ATOM 1397 CG2 THR A 87 33.990 -9.720 23.851 1.00 13.21 C ATOM 0 H THR A 87 30.542 -10.586 22.409 1.00 54.54 H new ATOM 0 HA THR A 87 31.755 -9.838 24.909 1.00 5.51 H new ATOM 0 HB THR A 87 32.780 -8.796 22.330 1.00 0.04 H new ATOM 0 HG1 THR A 87 32.172 -10.679 21.396 1.00 73.02 H new ATOM 0 HG21 THR A 87 34.856 -9.829 23.198 1.00 13.21 H new ATOM 0 HG22 THR A 87 34.088 -8.805 24.435 1.00 13.21 H new ATOM 0 HG23 THR A 87 33.934 -10.576 24.524 1.00 13.21 H new ATOM 1405 N SER A 88 31.106 -7.473 25.153 1.00 41.20 N ATOM 1406 CA SER A 88 30.595 -6.133 25.396 1.00 14.24 C ATOM 1407 C SER A 88 31.330 -5.059 24.579 1.00 53.12 C ATOM 1408 O SER A 88 31.365 -3.890 24.973 1.00 13.03 O ATOM 1409 CB SER A 88 30.672 -5.830 26.892 1.00 12.31 C ATOM 1410 OG SER A 88 30.842 -7.061 27.604 1.00 52.20 O ATOM 0 H SER A 88 31.518 -7.916 25.974 1.00 41.20 H new ATOM 0 HA SER A 88 29.557 -6.105 25.066 1.00 14.24 H new ATOM 0 HB2 SER A 88 31.504 -5.157 27.098 1.00 12.31 H new ATOM 0 HB3 SER A 88 29.764 -5.325 27.222 1.00 12.31 H new ATOM 0 HG SER A 88 30.894 -6.878 28.565 1.00 52.20 H new ATOM 1416 N LEU A 89 31.841 -5.435 23.413 1.00 11.45 N ATOM 1417 CA LEU A 89 32.475 -4.478 22.520 1.00 2.42 C ATOM 1418 C LEU A 89 31.430 -3.740 21.701 1.00 41.41 C ATOM 1419 O LEU A 89 31.715 -2.685 21.118 1.00 23.42 O ATOM 1420 CB LEU A 89 33.503 -5.158 21.597 1.00 31.31 C ATOM 1421 CG LEU A 89 32.871 -6.347 20.842 1.00 52.24 C ATOM 1422 CD1 LEU A 89 32.086 -5.842 19.626 1.00 72.30 C ATOM 1423 CD2 LEU A 89 33.981 -7.283 20.364 1.00 73.01 C ATOM 0 H LEU A 89 31.828 -6.394 23.066 1.00 11.45 H new ATOM 0 HA LEU A 89 33.011 -3.757 23.137 1.00 2.42 H new ATOM 0 HB2 LEU A 89 33.889 -4.433 20.881 1.00 31.31 H new ATOM 0 HB3 LEU A 89 34.351 -5.507 22.186 1.00 31.31 H new ATOM 0 HG LEU A 89 32.194 -6.876 21.512 1.00 52.24 H new ATOM 0 HD11 LEU A 89 31.644 -6.689 19.101 1.00 72.30 H new ATOM 0 HD12 LEU A 89 31.296 -5.168 19.957 1.00 72.30 H new ATOM 0 HD13 LEU A 89 32.759 -5.309 18.954 1.00 72.30 H new ATOM 0 HD21 LEU A 89 33.542 -8.125 19.830 1.00 73.01 H new ATOM 0 HD22 LEU A 89 34.652 -6.741 19.698 1.00 73.01 H new ATOM 0 HD23 LEU A 89 34.542 -7.651 21.223 1.00 73.01 H new ATOM 1435 N ASN A 90 30.224 -4.298 21.653 1.00 22.24 N ATOM 1436 CA ASN A 90 29.122 -3.699 20.902 1.00 13.40 C ATOM 1437 C ASN A 90 28.175 -2.961 21.833 1.00 13.42 C ATOM 1438 O ASN A 90 27.889 -1.821 21.570 1.00 53.14 O ATOM 1439 CB ASN A 90 28.344 -4.761 20.094 1.00 14.11 C ATOM 1440 CG ASN A 90 28.179 -6.059 20.883 1.00 13.14 C ATOM 1441 OD1 ASN A 90 27.939 -6.012 22.156 1.00 72.21 O flip ATOM 1442 ND2 ASN A 90 28.269 -7.152 20.313 1.00 54.13 N flip ATOM 1443 OXT ASN A 90 27.749 -3.551 22.799 1.00 13.42 O ATOM 0 H ASN A 90 29.983 -5.168 22.127 1.00 22.24 H new ATOM 0 HA ASN A 90 29.556 -2.987 20.200 1.00 13.40 H new ATOM 0 HB2 ASN A 90 27.362 -4.369 19.828 1.00 14.11 H new ATOM 0 HB3 ASN A 90 28.869 -4.966 19.161 1.00 14.11 H new ATOM 0 HD21 ASN A 90 28.458 -7.191 19.311 1.00 54.13 H new ATOM 0 HD22 ASN A 90 28.154 -8.015 20.844 1.00 54.13 H new TER 1450 ASN A 90