USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 577 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 64 THR OG1 : rot 66:sc= 0.773 USER MOD Set 1.2: A 67 SER OG : rot -144:sc= 2.21 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 17 MET CE :methyl 152:sc= -0.147 (180deg=-1.03) USER MOD Single : A 18 HIS : no HE2:sc= -2.66! C(o=-2.7!,f=-8.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -158:sc= -0.106 (180deg=-0.498) USER MOD Single : A 31 THR OG1 : rot -103:sc= 1.2 USER MOD Single : A 34 SER OG : rot -170:sc= -0.476 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 1.08 (180deg=0.87) USER MOD Single : A 38 MET CE :methyl -137:sc= -4.52! (180deg=-9.4!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 50 GLN : amide:sc= -1.34 K(o=-1.3,f=-7.9!) USER MOD Single : A 51 GLN : amide:sc= 0.92 K(o=0.92,f=-0.67) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 66 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.41) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.03 F(o=-2.5,f=-1) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.166! C(o=-0.17!,f=-8.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 7.934 -6.831 0.629 1.00 70.34 N ATOM 66 CA ASP A 5 9.092 -7.618 1.019 1.00 52.01 C ATOM 67 C ASP A 5 8.643 -9.022 1.328 1.00 14.04 C ATOM 68 O ASP A 5 7.439 -9.304 1.332 1.00 34.30 O ATOM 69 CB ASP A 5 9.776 -7.015 2.245 1.00 72.04 C ATOM 70 CG ASP A 5 10.520 -5.747 1.880 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.790 -5.542 0.711 1.00 71.24 O ATOM 72 OD2 ASP A 5 10.804 -4.988 2.767 1.00 63.22 O ATOM 0 HA ASP A 5 9.810 -7.622 0.199 1.00 52.01 H new ATOM 0 HB2 ASP A 5 9.032 -6.797 3.011 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.470 -7.739 2.672 1.00 72.04 H new ATOM 77 N ILE A 6 9.581 -9.893 1.622 1.00 61.21 N ATOM 78 CA ILE A 6 9.240 -11.264 1.925 1.00 73.32 C ATOM 79 C ILE A 6 9.760 -11.662 3.290 1.00 11.45 C ATOM 80 O ILE A 6 10.687 -11.041 3.825 1.00 13.11 O ATOM 81 CB ILE A 6 9.784 -12.205 0.844 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.314 -12.147 0.810 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.250 -11.764 -0.524 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.831 -13.233 -0.128 1.00 10.12 C ATOM 0 H ILE A 6 10.578 -9.679 1.658 1.00 61.21 H new ATOM 0 HA ILE A 6 8.153 -11.348 1.940 1.00 73.32 H new ATOM 0 HB ILE A 6 9.464 -13.222 1.071 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.646 -11.166 0.470 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.719 -12.291 1.812 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.634 -12.430 -1.297 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.161 -11.804 -0.519 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.575 -10.744 -0.730 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.920 -13.199 -0.159 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.508 -14.210 0.233 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.435 -13.067 -1.130 1.00 10.12 H new ATOM 96 N ARG A 7 9.129 -12.664 3.869 1.00 43.32 N ATOM 97 CA ARG A 7 9.486 -13.127 5.198 1.00 44.44 C ATOM 98 C ARG A 7 10.505 -14.236 5.098 1.00 14.40 C ATOM 99 O ARG A 7 10.295 -15.220 4.377 1.00 73.14 O ATOM 100 CB ARG A 7 8.254 -13.666 5.922 1.00 13.53 C ATOM 101 CG ARG A 7 7.182 -12.583 6.015 1.00 74.33 C ATOM 102 CD ARG A 7 5.956 -13.178 6.704 1.00 62.21 C ATOM 103 NE ARG A 7 5.388 -14.238 5.870 1.00 62.41 N ATOM 104 CZ ARG A 7 4.579 -15.170 6.365 1.00 20.20 C ATOM 105 NH1 ARG A 7 4.242 -15.138 7.630 1.00 41.23 N ATOM 106 NH2 ARG A 7 4.135 -16.114 5.591 1.00 33.44 N ATOM 0 H ARG A 7 8.361 -13.177 3.437 1.00 43.32 H new ATOM 0 HA ARG A 7 9.899 -12.285 5.754 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.861 -14.533 5.390 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.529 -14.003 6.922 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.555 -11.727 6.577 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.920 -12.222 5.020 1.00 74.33 H new ATOM 0 HD2 ARG A 7 6.233 -13.578 7.679 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.212 -12.401 6.878 1.00 62.21 H new ATOM 0 HE ARG A 7 5.620 -14.263 4.877 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.600 -14.399 8.235 1.00 41.23 H new ATOM 0 HH12 ARG A 7 3.621 -15.852 8.011 1.00 41.23 H new ATOM 0 HH21 ARG A 7 4.407 -16.138 4.608 1.00 33.44 H new ATOM 0 HH22 ARG A 7 3.514 -16.831 5.966 1.00 33.44 H new ATOM 120 N LEU A 8 11.564 -14.102 5.857 1.00 14.31 N ATOM 121 CA LEU A 8 12.629 -15.080 5.911 1.00 32.33 C ATOM 122 C LEU A 8 12.702 -15.679 7.311 1.00 71.45 C ATOM 123 O LEU A 8 12.818 -14.940 8.303 1.00 32.14 O ATOM 124 CB LEU A 8 13.962 -14.383 5.552 1.00 51.41 C ATOM 125 CG LEU A 8 15.133 -15.383 5.396 1.00 41.23 C ATOM 126 CD1 LEU A 8 15.863 -15.534 6.725 1.00 43.15 C ATOM 127 CD2 LEU A 8 14.651 -16.756 4.911 1.00 70.54 C ATOM 0 H LEU A 8 11.715 -13.298 6.466 1.00 14.31 H new ATOM 0 HA LEU A 8 12.439 -15.884 5.200 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.838 -13.826 4.623 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.209 -13.658 6.327 1.00 51.41 H new ATOM 0 HG LEU A 8 15.812 -14.984 4.643 1.00 41.23 H new ATOM 0 HD11 LEU A 8 16.686 -16.239 6.610 1.00 43.15 H new ATOM 0 HD12 LEU A 8 16.255 -14.566 7.037 1.00 43.15 H new ATOM 0 HD13 LEU A 8 15.170 -15.905 7.480 1.00 43.15 H new ATOM 0 HD21 LEU A 8 15.504 -17.428 4.815 1.00 70.54 H new ATOM 0 HD22 LEU A 8 13.944 -17.168 5.631 1.00 70.54 H new ATOM 0 HD23 LEU A 8 14.162 -16.649 3.943 1.00 70.54 H new ATOM 139 N TRP A 9 12.648 -17.001 7.399 1.00 31.14 N ATOM 140 CA TRP A 9 12.771 -17.679 8.684 1.00 63.14 C ATOM 141 C TRP A 9 14.214 -18.035 8.922 1.00 61.44 C ATOM 142 O TRP A 9 14.882 -18.544 8.019 1.00 73.50 O ATOM 143 CB TRP A 9 11.965 -18.983 8.710 1.00 41.11 C ATOM 144 CG TRP A 9 10.555 -18.776 8.277 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.821 -17.668 8.488 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.703 -19.704 7.571 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.552 -17.869 7.964 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.439 -19.112 7.381 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.910 -20.998 7.083 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.411 -19.785 6.729 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.887 -21.679 6.423 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.635 -21.073 6.245 1.00 21.20 C ATOM 0 H TRP A 9 12.521 -17.623 6.601 1.00 31.14 H new ATOM 0 HA TRP A 9 12.392 -17.003 9.451 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.440 -19.716 8.058 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.978 -19.397 9.718 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.163 -16.771 8.983 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.798 -17.183 8.005 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.870 -21.474 7.218 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.448 -19.314 6.599 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 9.060 -22.677 6.048 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.845 -21.603 5.734 1.00 21.20 H new ATOM 163 N VAL A 10 14.679 -17.862 10.137 1.00 73.13 N ATOM 164 CA VAL A 10 16.023 -18.274 10.470 1.00 21.41 C ATOM 165 C VAL A 10 15.989 -19.209 11.665 1.00 54.12 C ATOM 166 O VAL A 10 15.482 -18.841 12.736 1.00 12.11 O ATOM 167 CB VAL A 10 16.913 -17.057 10.776 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.385 -17.415 10.548 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.527 -15.875 9.880 1.00 2.31 C ATOM 0 H VAL A 10 14.153 -17.443 10.904 1.00 73.13 H new ATOM 0 HA VAL A 10 16.448 -18.796 9.613 1.00 21.41 H new ATOM 0 HB VAL A 10 16.767 -16.774 11.818 1.00 41.13 H new ATOM 0 HG11 VAL A 10 19.008 -16.548 10.767 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.665 -18.238 11.205 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.530 -17.714 9.510 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.165 -15.022 10.108 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.655 -16.154 8.834 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.486 -15.607 10.059 1.00 2.31 H new ATOM 179 N SER A 11 16.587 -20.375 11.514 1.00 71.44 N ATOM 180 CA SER A 11 16.702 -21.304 12.618 1.00 32.15 C ATOM 181 C SER A 11 18.039 -21.095 13.293 1.00 55.14 C ATOM 182 O SER A 11 19.087 -21.272 12.670 1.00 33.30 O ATOM 183 CB SER A 11 16.582 -22.740 12.113 1.00 73.42 C ATOM 184 OG SER A 11 15.500 -22.816 11.190 1.00 53.13 O ATOM 0 H SER A 11 16.999 -20.700 10.639 1.00 71.44 H new ATOM 0 HA SER A 11 15.899 -21.127 13.334 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.510 -23.049 11.632 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.414 -23.420 12.948 1.00 73.42 H new ATOM 0 HG SER A 11 15.416 -23.735 10.859 1.00 53.13 H new ATOM 190 N VAL A 12 18.005 -20.607 14.512 1.00 44.50 N ATOM 191 CA VAL A 12 19.215 -20.268 15.224 1.00 65.33 C ATOM 192 C VAL A 12 19.576 -21.373 16.203 1.00 31.54 C ATOM 193 O VAL A 12 18.815 -21.647 17.135 1.00 45.10 O ATOM 194 CB VAL A 12 19.008 -18.945 15.989 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.352 -18.400 16.491 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.327 -17.905 15.080 1.00 44.14 C ATOM 0 H VAL A 12 17.146 -20.435 15.034 1.00 44.50 H new ATOM 0 HA VAL A 12 20.028 -20.153 14.507 1.00 65.33 H new ATOM 0 HB VAL A 12 18.366 -19.140 16.848 1.00 22.42 H new ATOM 0 HG11 VAL A 12 20.188 -17.466 17.029 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.813 -19.127 17.159 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.011 -18.219 15.642 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.187 -16.976 15.632 1.00 44.14 H new ATOM 0 HG22 VAL A 12 18.954 -17.718 14.208 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.358 -18.284 14.756 1.00 44.14 H new ATOM 206 N GLU A 13 20.760 -21.952 16.035 1.00 65.32 N ATOM 207 CA GLU A 13 21.255 -22.948 16.973 1.00 15.40 C ATOM 208 C GLU A 13 22.483 -22.459 17.721 1.00 23.23 C ATOM 209 O GLU A 13 23.520 -22.139 17.116 1.00 42.34 O ATOM 210 CB GLU A 13 21.525 -24.295 16.302 1.00 20.03 C ATOM 211 CG GLU A 13 20.189 -24.978 15.983 1.00 1.01 C ATOM 212 CD GLU A 13 20.435 -26.329 15.355 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.218 -26.405 14.441 1.00 34.31 O ATOM 214 OE2 GLU A 13 19.830 -27.278 15.794 1.00 14.21 O ATOM 0 H GLU A 13 21.391 -21.748 15.260 1.00 65.32 H new ATOM 0 HA GLU A 13 20.460 -23.103 17.702 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.100 -24.150 15.388 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.123 -24.928 16.958 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.603 -25.093 16.895 1.00 1.01 H new ATOM 0 HG3 GLU A 13 19.605 -24.354 15.306 1.00 1.01 H new ATOM 221 N ASP A 14 22.357 -22.413 19.034 1.00 22.33 N ATOM 222 CA ASP A 14 23.429 -21.990 19.919 1.00 31.53 C ATOM 223 C ASP A 14 24.365 -23.141 20.212 1.00 2.03 C ATOM 224 O ASP A 14 23.922 -24.256 20.480 1.00 12.43 O ATOM 225 CB ASP A 14 22.846 -21.453 21.231 1.00 1.42 C ATOM 226 CG ASP A 14 23.904 -20.829 22.124 1.00 22.13 C ATOM 227 OD1 ASP A 14 25.067 -20.926 21.817 1.00 34.20 O ATOM 228 OD2 ASP A 14 23.524 -20.261 23.126 1.00 24.52 O ATOM 0 H ASP A 14 21.499 -22.671 19.522 1.00 22.33 H new ATOM 0 HA ASP A 14 23.991 -21.199 19.423 1.00 31.53 H new ATOM 0 HB2 ASP A 14 22.080 -20.711 21.008 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.356 -22.266 21.767 1.00 1.42 H new ATOM 233 N ALA A 15 25.642 -22.837 20.287 1.00 64.23 N ATOM 234 CA ALA A 15 26.645 -23.816 20.677 1.00 62.10 C ATOM 235 C ALA A 15 26.275 -24.385 22.028 1.00 0.30 C ATOM 236 O ALA A 15 26.614 -25.523 22.352 1.00 4.10 O ATOM 237 CB ALA A 15 28.011 -23.146 20.769 1.00 72.21 C ATOM 0 H ALA A 15 26.018 -21.911 20.082 1.00 64.23 H new ATOM 0 HA ALA A 15 26.686 -24.613 19.935 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.759 -23.883 21.061 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.276 -22.725 19.799 1.00 72.21 H new ATOM 0 HB3 ALA A 15 27.976 -22.350 21.513 1.00 72.21 H new ATOM 243 N GLN A 16 25.540 -23.596 22.790 1.00 3.31 N ATOM 244 CA GLN A 16 25.050 -24.012 24.092 1.00 70.51 C ATOM 245 C GLN A 16 23.833 -24.930 23.922 1.00 44.44 C ATOM 246 O GLN A 16 23.159 -25.278 24.895 1.00 43.52 O ATOM 247 CB GLN A 16 24.669 -22.783 24.914 1.00 25.04 C ATOM 248 CG GLN A 16 25.872 -21.833 25.023 1.00 60.51 C ATOM 249 CD GLN A 16 27.002 -22.490 25.800 1.00 52.33 C ATOM 250 OE1 GLN A 16 26.841 -22.800 26.983 1.00 42.31 O ATOM 251 NE2 GLN A 16 28.125 -22.742 25.212 1.00 32.13 N ATOM 0 H GLN A 16 25.266 -22.650 22.525 1.00 3.31 H new ATOM 0 HA GLN A 16 25.835 -24.560 24.614 1.00 70.51 H new ATOM 0 HB2 GLN A 16 23.829 -22.268 24.447 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.343 -23.087 25.909 1.00 25.04 H new ATOM 0 HG2 GLN A 16 26.219 -21.560 24.026 1.00 60.51 H new ATOM 0 HG3 GLN A 16 25.570 -20.910 25.519 1.00 60.51 H new ATOM 0 HE21 GLN A 16 28.257 -22.485 24.234 1.00 32.13 H new ATOM 0 HE22 GLN A 16 28.879 -23.198 25.726 1.00 32.13 H new ATOM 260 N MET A 17 23.548 -25.283 22.666 1.00 5.31 N ATOM 261 CA MET A 17 22.435 -26.156 22.298 1.00 12.12 C ATOM 262 C MET A 17 21.085 -25.483 22.482 1.00 54.32 C ATOM 263 O MET A 17 20.090 -26.135 22.827 1.00 30.13 O ATOM 264 CB MET A 17 22.500 -27.491 23.049 1.00 21.12 C ATOM 265 CG MET A 17 23.719 -28.274 22.561 1.00 2.23 C ATOM 266 SD MET A 17 23.856 -29.820 23.486 1.00 25.23 S ATOM 267 CE MET A 17 22.392 -30.629 22.796 1.00 74.04 C ATOM 0 H MET A 17 24.094 -24.964 21.865 1.00 5.31 H new ATOM 0 HA MET A 17 22.539 -26.365 21.233 1.00 12.12 H new ATOM 0 HB2 MET A 17 22.569 -27.317 24.123 1.00 21.12 H new ATOM 0 HB3 MET A 17 21.590 -28.065 22.877 1.00 21.12 H new ATOM 0 HG2 MET A 17 23.627 -28.483 21.495 1.00 2.23 H new ATOM 0 HG3 MET A 17 24.623 -27.679 22.692 1.00 2.23 H new ATOM 0 HE1 MET A 17 22.530 -31.710 22.816 1.00 74.04 H new ATOM 0 HE2 MET A 17 21.516 -30.364 23.389 1.00 74.04 H new ATOM 0 HE3 MET A 17 22.246 -30.301 21.767 1.00 74.04 H new ATOM 277 N HIS A 18 21.016 -24.222 22.106 1.00 43.51 N ATOM 278 CA HIS A 18 19.753 -23.487 22.099 1.00 22.43 C ATOM 279 C HIS A 18 19.277 -23.364 20.669 1.00 34.12 C ATOM 280 O HIS A 18 20.022 -22.899 19.814 1.00 31.44 O ATOM 281 CB HIS A 18 19.928 -22.073 22.684 1.00 70.50 C ATOM 282 CG HIS A 18 20.486 -22.153 24.076 1.00 40.41 C ATOM 283 ND1 HIS A 18 21.665 -21.511 24.441 1.00 0.13 N ATOM 284 CD2 HIS A 18 20.042 -22.796 25.203 1.00 21.11 C ATOM 285 CE1 HIS A 18 21.881 -21.786 25.744 1.00 21.41 C ATOM 286 NE2 HIS A 18 20.923 -22.569 26.253 1.00 74.45 N ATOM 0 H HIS A 18 21.821 -23.676 21.798 1.00 43.51 H new ATOM 0 HA HIS A 18 19.031 -24.028 22.710 1.00 22.43 H new ATOM 0 HB2 HIS A 18 20.595 -21.489 22.050 1.00 70.50 H new ATOM 0 HB3 HIS A 18 18.968 -21.556 22.698 1.00 70.50 H new ATOM 0 HD1 HIS A 18 22.255 -20.939 23.837 1.00 0.13 H new ATOM 0 HD2 HIS A 18 19.142 -23.390 25.265 1.00 21.11 H new ATOM 0 HE1 HIS A 18 22.725 -21.418 26.308 1.00 21.41 H new ATOM 295 N THR A 19 18.047 -23.763 20.413 1.00 71.41 N ATOM 296 CA THR A 19 17.481 -23.673 19.078 1.00 41.11 C ATOM 297 C THR A 19 16.387 -22.609 19.064 1.00 2.13 C ATOM 298 O THR A 19 15.424 -22.694 19.840 1.00 64.45 O ATOM 299 CB THR A 19 16.901 -25.035 18.675 1.00 2.14 C ATOM 300 OG1 THR A 19 17.863 -26.055 18.951 1.00 11.24 O ATOM 301 CG2 THR A 19 16.573 -25.043 17.176 1.00 20.53 C ATOM 0 H THR A 19 17.417 -24.154 21.113 1.00 71.41 H new ATOM 0 HA THR A 19 18.258 -23.395 18.366 1.00 41.11 H new ATOM 0 HB THR A 19 15.989 -25.219 19.243 1.00 2.14 H new ATOM 0 HG1 THR A 19 17.497 -26.928 18.697 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.162 -26.014 16.899 1.00 20.53 H new ATOM 0 HG22 THR A 19 15.842 -24.264 16.959 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.482 -24.857 16.604 1.00 20.53 H new ATOM 309 N VAL A 20 16.550 -21.600 18.225 1.00 62.44 N ATOM 310 CA VAL A 20 15.591 -20.507 18.146 1.00 2.05 C ATOM 311 C VAL A 20 15.167 -20.264 16.707 1.00 1.51 C ATOM 312 O VAL A 20 16.007 -20.181 15.807 1.00 15.42 O ATOM 313 CB VAL A 20 16.188 -19.216 18.735 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.065 -18.240 19.115 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.040 -19.534 19.973 1.00 52.53 C ATOM 0 H VAL A 20 17.340 -21.514 17.586 1.00 62.44 H new ATOM 0 HA VAL A 20 14.714 -20.790 18.729 1.00 2.05 H new ATOM 0 HB VAL A 20 16.824 -18.754 17.980 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.499 -17.330 19.531 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.483 -17.992 18.228 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.415 -18.704 19.857 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.454 -18.610 20.377 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.418 -20.014 20.729 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.853 -20.204 19.693 1.00 52.53 H new ATOM 325 N THR A 21 13.889 -20.032 16.520 1.00 63.53 N ATOM 326 CA THR A 21 13.364 -19.659 15.222 1.00 44.25 C ATOM 327 C THR A 21 13.095 -18.166 15.224 1.00 12.41 C ATOM 328 O THR A 21 12.399 -17.664 16.115 1.00 11.33 O ATOM 329 CB THR A 21 12.044 -20.396 14.947 1.00 65.22 C ATOM 330 OG1 THR A 21 12.184 -21.780 15.257 1.00 25.54 O ATOM 331 CG2 THR A 21 11.659 -20.240 13.468 1.00 10.42 C ATOM 0 H THR A 21 13.186 -20.095 17.256 1.00 63.53 H new ATOM 0 HA THR A 21 14.088 -19.924 14.451 1.00 44.25 H new ATOM 0 HB THR A 21 11.263 -19.965 15.573 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.338 -22.242 15.081 1.00 25.54 H new ATOM 0 HG21 THR A 21 10.722 -20.764 13.279 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.537 -19.183 13.233 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.444 -20.662 12.841 1.00 10.42 H new ATOM 339 N ILE A 22 13.609 -17.458 14.239 1.00 41.12 N ATOM 340 CA ILE A 22 13.327 -16.041 14.131 1.00 63.41 C ATOM 341 C ILE A 22 12.816 -15.715 12.736 1.00 15.43 C ATOM 342 O ILE A 22 13.144 -16.408 11.764 1.00 50.41 O ATOM 343 CB ILE A 22 14.570 -15.199 14.482 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.693 -15.486 13.491 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.052 -15.556 15.893 1.00 31.40 C ATOM 346 CD1 ILE A 22 16.861 -14.533 13.754 1.00 75.44 C ATOM 0 H ILE A 22 14.216 -17.834 13.511 1.00 41.12 H new ATOM 0 HA ILE A 22 12.549 -15.786 14.851 1.00 63.41 H new ATOM 0 HB ILE A 22 14.303 -14.143 14.435 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.024 -16.520 13.589 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.332 -15.363 12.470 1.00 65.05 H new ATOM 0 HG21 ILE A 22 15.931 -14.960 16.139 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.259 -15.348 16.612 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.309 -16.614 15.933 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.664 -14.738 13.046 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.525 -13.503 13.633 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.227 -14.678 14.770 1.00 75.44 H new ATOM 358 N TRP A 23 11.991 -14.690 12.658 1.00 51.20 N ATOM 359 CA TRP A 23 11.384 -14.270 11.404 1.00 45.54 C ATOM 360 C TRP A 23 11.908 -12.909 11.004 1.00 3.15 C ATOM 361 O TRP A 23 11.787 -11.945 11.773 1.00 71.12 O ATOM 362 CB TRP A 23 9.853 -14.192 11.566 1.00 14.21 C ATOM 363 CG TRP A 23 9.284 -15.568 11.703 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.632 -16.234 10.730 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.305 -16.453 12.856 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.266 -17.476 11.203 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.655 -17.657 12.507 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.824 -16.332 14.154 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.523 -18.704 13.410 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.691 -17.385 15.070 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.042 -18.569 14.697 1.00 12.23 C ATOM 0 H TRP A 23 11.720 -14.122 13.461 1.00 51.20 H new ATOM 0 HA TRP A 23 11.636 -14.997 10.632 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.602 -13.596 12.443 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.413 -13.691 10.704 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.429 -15.856 9.739 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.767 -18.175 10.652 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.328 -15.424 14.449 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.022 -19.615 13.118 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.091 -17.283 16.068 1.00 74.51 H new ATOM 0 HH2 TRP A 23 8.944 -19.377 15.406 1.00 12.23 H new ATOM 382 N LEU A 24 12.425 -12.810 9.791 1.00 44.10 N ATOM 383 CA LEU A 24 12.894 -11.540 9.260 1.00 40.20 C ATOM 384 C LEU A 24 12.134 -11.233 7.976 1.00 52.40 C ATOM 385 O LEU A 24 11.973 -12.112 7.135 1.00 21.24 O ATOM 386 CB LEU A 24 14.403 -11.626 8.952 1.00 70.54 C ATOM 387 CG LEU A 24 15.171 -12.095 10.202 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.654 -12.251 9.870 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.019 -11.072 11.336 1.00 21.54 C ATOM 0 H LEU A 24 12.531 -13.598 9.152 1.00 44.10 H new ATOM 0 HA LEU A 24 12.724 -10.752 9.994 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.575 -12.319 8.128 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.773 -10.652 8.632 1.00 70.54 H new ATOM 0 HG LEU A 24 14.760 -13.053 10.522 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.193 -12.583 10.758 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.774 -12.988 9.076 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.055 -11.293 9.539 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.567 -11.417 12.213 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.418 -10.110 11.014 1.00 21.54 H new ATOM 0 HD23 LEU A 24 13.964 -10.962 11.588 1.00 21.54 H new ATOM 401 N THR A 25 11.721 -9.992 7.790 1.00 32.11 N ATOM 402 CA THR A 25 11.054 -9.610 6.550 1.00 20.03 C ATOM 403 C THR A 25 11.954 -8.681 5.752 1.00 15.11 C ATOM 404 O THR A 25 12.407 -7.651 6.264 1.00 30.42 O ATOM 405 CB THR A 25 9.695 -8.950 6.836 1.00 11.33 C ATOM 406 OG1 THR A 25 8.922 -9.810 7.672 1.00 74.12 O ATOM 407 CG2 THR A 25 8.935 -8.735 5.522 1.00 51.01 C ATOM 0 H THR A 25 11.831 -9.238 8.468 1.00 32.11 H new ATOM 0 HA THR A 25 10.863 -10.507 5.961 1.00 20.03 H new ATOM 0 HB THR A 25 9.860 -7.991 7.328 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.055 -9.392 7.858 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.973 -8.267 5.731 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.518 -8.089 4.866 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.773 -9.696 5.034 1.00 51.01 H new ATOM 415 N VAL A 26 12.270 -9.089 4.533 1.00 24.42 N ATOM 416 CA VAL A 26 13.177 -8.349 3.667 1.00 0.53 C ATOM 417 C VAL A 26 12.829 -8.607 2.209 1.00 14.44 C ATOM 418 O VAL A 26 12.023 -9.483 1.906 1.00 61.52 O ATOM 419 CB VAL A 26 14.636 -8.773 3.932 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.056 -8.360 5.347 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.758 -10.295 3.796 1.00 64.00 C ATOM 0 H VAL A 26 11.904 -9.944 4.115 1.00 24.42 H new ATOM 0 HA VAL A 26 13.072 -7.285 3.881 1.00 0.53 H new ATOM 0 HB VAL A 26 15.285 -8.282 3.206 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.088 -8.664 5.524 1.00 14.20 H new ATOM 0 HG12 VAL A 26 14.974 -7.278 5.450 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.405 -8.844 6.075 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.789 -10.596 3.983 1.00 64.00 H new ATOM 0 HG22 VAL A 26 14.102 -10.779 4.520 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.470 -10.594 2.788 1.00 64.00 H new ATOM 431 N ARG A 27 13.498 -7.916 1.314 1.00 33.21 N ATOM 432 CA ARG A 27 13.332 -8.160 -0.110 1.00 4.21 C ATOM 433 C ARG A 27 14.419 -9.121 -0.588 1.00 3.32 C ATOM 434 O ARG A 27 15.562 -9.024 -0.152 1.00 72.11 O ATOM 435 CB ARG A 27 13.434 -6.845 -0.894 1.00 30.33 C ATOM 436 CG ARG A 27 14.616 -6.017 -0.365 1.00 13.41 C ATOM 437 CD ARG A 27 14.115 -4.955 0.616 1.00 0.42 C ATOM 438 NE ARG A 27 14.120 -3.646 -0.030 1.00 5.44 N ATOM 439 CZ ARG A 27 13.009 -2.931 -0.244 1.00 52.45 C ATOM 440 NH1 ARG A 27 11.836 -3.409 0.081 1.00 55.30 N ATOM 441 NH2 ARG A 27 13.099 -1.760 -0.806 1.00 23.52 N ATOM 0 H ARG A 27 14.164 -7.178 1.543 1.00 33.21 H new ATOM 0 HA ARG A 27 12.348 -8.596 -0.281 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.569 -7.053 -1.955 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.508 -6.279 -0.795 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.335 -6.670 0.129 1.00 13.41 H new ATOM 0 HG3 ARG A 27 15.137 -5.540 -1.195 1.00 13.41 H new ATOM 0 HD2 ARG A 27 13.108 -5.202 0.951 1.00 0.42 H new ATOM 0 HD3 ARG A 27 14.750 -4.936 1.502 1.00 0.42 H new ATOM 0 HE ARG A 27 15.013 -3.258 -0.333 1.00 5.44 H new ATOM 0 HH11 ARG A 27 11.761 -4.335 0.502 1.00 55.30 H new ATOM 0 HH12 ARG A 27 10.996 -2.856 -0.086 1.00 55.30 H new ATOM 0 HH21 ARG A 27 14.011 -1.394 -1.079 1.00 23.52 H new ATOM 0 HH22 ARG A 27 12.257 -1.208 -0.973 1.00 23.52 H new ATOM 455 N PRO A 28 14.132 -9.947 -1.556 1.00 70.42 N ATOM 456 CA PRO A 28 15.163 -10.847 -2.165 1.00 2.44 C ATOM 457 C PRO A 28 16.337 -10.025 -2.694 1.00 10.52 C ATOM 458 O PRO A 28 17.473 -10.514 -2.788 1.00 73.22 O ATOM 459 CB PRO A 28 14.413 -11.525 -3.316 1.00 63.31 C ATOM 460 CG PRO A 28 12.975 -11.455 -2.928 1.00 53.01 C ATOM 461 CD PRO A 28 12.808 -10.133 -2.178 1.00 50.41 C ATOM 0 HA PRO A 28 15.583 -11.561 -1.456 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.593 -11.013 -4.261 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.738 -12.557 -3.446 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.331 -11.490 -3.807 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.699 -12.300 -2.297 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.558 -9.313 -2.852 1.00 50.41 H new ATOM 0 HD3 PRO A 28 12.014 -10.187 -1.433 1.00 50.41 H new ATOM 469 N ASP A 29 16.046 -8.763 -2.992 1.00 21.24 N ATOM 470 CA ASP A 29 17.039 -7.805 -3.453 1.00 42.34 C ATOM 471 C ASP A 29 18.063 -7.527 -2.363 1.00 22.22 C ATOM 472 O ASP A 29 19.170 -7.066 -2.639 1.00 73.13 O ATOM 473 CB ASP A 29 16.367 -6.493 -3.867 1.00 0.01 C ATOM 474 CG ASP A 29 17.379 -5.558 -4.498 1.00 62.22 C ATOM 475 OD1 ASP A 29 17.861 -5.864 -5.571 1.00 43.24 O ATOM 476 OD2 ASP A 29 17.670 -4.545 -3.906 1.00 21.43 O ATOM 0 H ASP A 29 15.105 -8.375 -2.919 1.00 21.24 H new ATOM 0 HA ASP A 29 17.546 -8.236 -4.316 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.561 -6.696 -4.572 1.00 0.01 H new ATOM 0 HB3 ASP A 29 15.916 -6.017 -2.996 1.00 0.01 H new ATOM 481 N MET A 30 17.669 -7.740 -1.119 1.00 31.25 N ATOM 482 CA MET A 30 18.555 -7.471 0.004 1.00 25.12 C ATOM 483 C MET A 30 19.732 -8.422 0.004 1.00 64.13 C ATOM 484 O MET A 30 19.805 -9.354 -0.803 1.00 62.13 O ATOM 485 CB MET A 30 17.807 -7.538 1.345 1.00 2.42 C ATOM 486 CG MET A 30 17.851 -6.175 2.041 1.00 11.34 C ATOM 487 SD MET A 30 19.235 -6.137 3.196 1.00 52.43 S ATOM 488 CE MET A 30 18.493 -7.153 4.499 1.00 61.23 C ATOM 0 H MET A 30 16.749 -8.096 -0.861 1.00 31.25 H new ATOM 0 HA MET A 30 18.931 -6.455 -0.116 1.00 25.12 H new ATOM 0 HB2 MET A 30 16.772 -7.837 1.178 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.259 -8.296 1.985 1.00 2.42 H new ATOM 0 HG2 MET A 30 17.957 -5.380 1.302 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.916 -5.994 2.571 1.00 11.34 H new ATOM 0 HE1 MET A 30 18.989 -6.948 5.447 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.433 -6.916 4.586 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.610 -8.208 4.249 1.00 61.23 H new ATOM 498 N THR A 31 20.662 -8.148 0.884 1.00 12.23 N ATOM 499 CA THR A 31 21.885 -8.903 1.003 1.00 31.41 C ATOM 500 C THR A 31 21.940 -9.626 2.356 1.00 44.04 C ATOM 501 O THR A 31 21.470 -9.099 3.374 1.00 12.01 O ATOM 502 CB THR A 31 23.071 -7.938 0.810 1.00 25.42 C ATOM 503 OG1 THR A 31 23.349 -7.779 -0.582 1.00 20.13 O ATOM 504 CG2 THR A 31 24.306 -8.434 1.519 1.00 40.23 C ATOM 0 H THR A 31 20.589 -7.379 1.551 1.00 12.23 H new ATOM 0 HA THR A 31 21.934 -9.676 0.236 1.00 31.41 H new ATOM 0 HB THR A 31 22.793 -6.977 1.242 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.140 -8.306 -0.820 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.123 -7.730 1.362 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.102 -8.522 2.586 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.586 -9.410 1.122 1.00 40.23 H new ATOM 512 N VAL A 32 22.513 -10.832 2.363 1.00 60.15 N ATOM 513 CA VAL A 32 22.602 -11.626 3.587 1.00 10.31 C ATOM 514 C VAL A 32 23.408 -10.871 4.634 1.00 54.12 C ATOM 515 O VAL A 32 23.001 -10.770 5.780 1.00 54.33 O ATOM 516 CB VAL A 32 23.251 -12.994 3.301 1.00 44.23 C ATOM 517 CG1 VAL A 32 23.409 -13.795 4.602 1.00 71.12 C ATOM 518 CG2 VAL A 32 22.383 -13.784 2.323 1.00 24.05 C ATOM 0 H VAL A 32 22.919 -11.276 1.540 1.00 60.15 H new ATOM 0 HA VAL A 32 21.595 -11.798 3.966 1.00 10.31 H new ATOM 0 HB VAL A 32 24.236 -12.826 2.865 1.00 44.23 H new ATOM 0 HG11 VAL A 32 23.869 -14.759 4.382 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.041 -13.241 5.296 1.00 71.12 H new ATOM 0 HG13 VAL A 32 22.429 -13.955 5.052 1.00 71.12 H new ATOM 0 HG21 VAL A 32 22.846 -14.750 2.124 1.00 24.05 H new ATOM 0 HG22 VAL A 32 21.395 -13.938 2.756 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.288 -13.228 1.390 1.00 24.05 H new ATOM 528 N ALA A 33 24.525 -10.299 4.221 1.00 53.45 N ATOM 529 CA ALA A 33 25.351 -9.523 5.129 1.00 55.04 C ATOM 530 C ALA A 33 24.508 -8.449 5.797 1.00 52.23 C ATOM 531 O ALA A 33 24.484 -8.338 7.021 1.00 54.14 O ATOM 532 CB ALA A 33 26.516 -8.887 4.371 1.00 50.32 C ATOM 0 H ALA A 33 24.880 -10.357 3.267 1.00 53.45 H new ATOM 0 HA ALA A 33 25.757 -10.184 5.895 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.128 -8.308 5.063 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.124 -9.669 3.916 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.128 -8.230 3.593 1.00 50.32 H new ATOM 538 N SER A 34 23.717 -7.754 5.001 1.00 20.42 N ATOM 539 CA SER A 34 22.787 -6.775 5.528 1.00 42.23 C ATOM 540 C SER A 34 21.795 -7.464 6.457 1.00 51.41 C ATOM 541 O SER A 34 21.474 -6.959 7.529 1.00 74.05 O ATOM 542 CB SER A 34 22.040 -6.107 4.380 1.00 22.13 C ATOM 543 OG SER A 34 22.940 -5.887 3.292 1.00 22.31 O ATOM 0 H SER A 34 23.701 -7.850 3.986 1.00 20.42 H new ATOM 0 HA SER A 34 23.337 -6.017 6.086 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.209 -6.735 4.058 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.614 -5.160 4.711 1.00 22.13 H new ATOM 0 HG SER A 34 22.508 -5.320 2.619 1.00 22.31 H new ATOM 549 N LEU A 35 21.333 -8.636 6.038 1.00 42.51 N ATOM 550 CA LEU A 35 20.407 -9.437 6.838 1.00 60.21 C ATOM 551 C LEU A 35 21.077 -9.864 8.144 1.00 12.50 C ATOM 552 O LEU A 35 20.509 -9.715 9.230 1.00 51.11 O ATOM 553 CB LEU A 35 19.950 -10.666 6.033 1.00 20.44 C ATOM 554 CG LEU A 35 18.983 -11.521 6.853 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.771 -10.688 7.262 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.516 -12.703 6.003 1.00 72.44 C ATOM 0 H LEU A 35 21.585 -9.057 5.144 1.00 42.51 H new ATOM 0 HA LEU A 35 19.531 -8.837 7.082 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.466 -10.344 5.111 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.817 -11.262 5.746 1.00 20.44 H new ATOM 0 HG LEU A 35 19.490 -11.881 7.748 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.087 -11.304 7.846 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.099 -9.840 7.863 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.261 -10.325 6.370 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.826 -13.317 6.582 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.011 -12.333 5.111 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.377 -13.303 5.710 1.00 72.44 H new ATOM 568 N LYS A 36 22.317 -10.303 8.029 1.00 34.21 N ATOM 569 CA LYS A 36 23.119 -10.693 9.182 1.00 44.21 C ATOM 570 C LYS A 36 23.277 -9.505 10.108 1.00 31.00 C ATOM 571 O LYS A 36 23.246 -9.646 11.340 1.00 33.33 O ATOM 572 CB LYS A 36 24.509 -11.118 8.691 1.00 43.15 C ATOM 573 CG LYS A 36 24.446 -12.475 7.977 1.00 4.03 C ATOM 574 CD LYS A 36 25.773 -12.736 7.245 1.00 65.42 C ATOM 575 CE LYS A 36 26.964 -12.716 8.216 1.00 65.21 C ATOM 576 NZ LYS A 36 28.229 -12.878 7.448 1.00 35.45 N ATOM 0 H LYS A 36 22.799 -10.400 7.136 1.00 34.21 H new ATOM 0 HA LYS A 36 22.632 -11.513 9.710 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.906 -10.363 8.012 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.195 -11.179 9.536 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.256 -13.269 8.699 1.00 4.03 H new ATOM 0 HG3 LYS A 36 23.619 -12.485 7.267 1.00 4.03 H new ATOM 0 HD2 LYS A 36 25.728 -13.702 6.742 1.00 65.42 H new ATOM 0 HD3 LYS A 36 25.919 -11.981 6.473 1.00 65.42 H new ATOM 0 HE2 LYS A 36 26.980 -11.778 8.771 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.864 -13.518 8.948 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 29.033 -12.916 8.107 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 28.191 -13.760 6.898 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 28.349 -12.072 6.802 1.00 35.45 H new ATOM 590 N ASP A 37 23.493 -8.352 9.519 1.00 21.40 N ATOM 591 CA ASP A 37 23.695 -7.131 10.276 1.00 31.33 C ATOM 592 C ASP A 37 22.474 -6.800 11.131 1.00 3.04 C ATOM 593 O ASP A 37 22.605 -6.505 12.323 1.00 73.14 O ATOM 594 CB ASP A 37 23.988 -5.977 9.319 1.00 1.34 C ATOM 595 CG ASP A 37 24.436 -4.751 10.082 1.00 74.31 C ATOM 596 OD1 ASP A 37 25.464 -4.818 10.731 1.00 52.50 O ATOM 597 OD2 ASP A 37 23.759 -3.751 9.994 1.00 11.04 O ATOM 0 H ASP A 37 23.534 -8.230 8.507 1.00 21.40 H new ATOM 0 HA ASP A 37 24.543 -7.279 10.944 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.761 -6.273 8.610 1.00 1.34 H new ATOM 0 HB3 ASP A 37 23.096 -5.744 8.738 1.00 1.34 H new ATOM 602 N MET A 38 21.279 -6.890 10.538 1.00 34.44 N ATOM 603 CA MET A 38 20.047 -6.556 11.266 1.00 41.13 C ATOM 604 C MET A 38 19.880 -7.478 12.441 1.00 34.34 C ATOM 605 O MET A 38 19.408 -7.079 13.499 1.00 71.22 O ATOM 606 CB MET A 38 18.795 -6.692 10.398 1.00 41.21 C ATOM 607 CG MET A 38 19.122 -6.561 8.922 1.00 23.15 C ATOM 608 SD MET A 38 17.575 -6.433 7.980 1.00 32.15 S ATOM 609 CE MET A 38 16.789 -7.968 8.569 1.00 74.35 C ATOM 0 H MET A 38 21.137 -7.186 9.572 1.00 34.44 H new ATOM 0 HA MET A 38 20.149 -5.517 11.580 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.326 -7.659 10.583 1.00 41.21 H new ATOM 0 HB3 MET A 38 18.071 -5.928 10.680 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.741 -5.680 8.751 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.697 -7.424 8.586 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.325 -8.485 7.729 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.543 -8.613 9.020 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.028 -7.726 9.311 1.00 74.35 H new ATOM 619 N VAL A 39 20.209 -8.729 12.230 1.00 14.41 N ATOM 620 CA VAL A 39 20.010 -9.735 13.244 1.00 25.32 C ATOM 621 C VAL A 39 20.739 -9.308 14.499 1.00 51.44 C ATOM 622 O VAL A 39 20.188 -9.352 15.595 1.00 21.33 O ATOM 623 CB VAL A 39 20.520 -11.095 12.753 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.306 -12.170 13.830 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.770 -11.488 11.479 1.00 65.31 C ATOM 0 H VAL A 39 20.617 -9.076 11.362 1.00 14.41 H new ATOM 0 HA VAL A 39 18.947 -9.839 13.460 1.00 25.32 H new ATOM 0 HB VAL A 39 21.587 -11.018 12.544 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.674 -13.129 13.465 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.849 -11.893 14.733 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.243 -12.251 14.057 1.00 41.14 H new ATOM 0 HG21 VAL A 39 20.131 -12.455 11.128 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.703 -11.554 11.691 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.941 -10.735 10.709 1.00 65.31 H new ATOM 635 N PHE A 40 21.934 -8.788 14.320 1.00 3.12 N ATOM 636 CA PHE A 40 22.670 -8.226 15.430 1.00 33.42 C ATOM 637 C PHE A 40 21.890 -7.076 16.037 1.00 2.10 C ATOM 638 O PHE A 40 21.737 -6.992 17.253 1.00 42.22 O ATOM 639 CB PHE A 40 24.045 -7.742 14.964 1.00 31.43 C ATOM 640 CG PHE A 40 24.749 -7.022 16.093 1.00 13.33 C ATOM 641 CD1 PHE A 40 25.167 -7.725 17.224 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.983 -5.646 16.002 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.820 -7.059 18.261 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.638 -4.979 17.041 1.00 33.14 C ATOM 645 CZ PHE A 40 26.059 -5.686 18.168 1.00 34.32 C ATOM 0 H PHE A 40 22.414 -8.743 13.421 1.00 3.12 H new ATOM 0 HA PHE A 40 22.811 -8.998 16.186 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.645 -8.589 14.632 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.935 -7.075 14.109 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.984 -8.787 17.296 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.658 -5.099 15.129 1.00 43.21 H new ATOM 0 HE1 PHE A 40 26.141 -7.605 19.136 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.818 -3.916 16.972 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.570 -5.171 18.968 1.00 34.32 H new ATOM 655 N LEU A 41 21.380 -6.203 15.184 1.00 22.50 N ATOM 656 CA LEU A 41 20.637 -5.045 15.658 1.00 60.20 C ATOM 657 C LEU A 41 19.412 -5.531 16.396 1.00 62.30 C ATOM 658 O LEU A 41 18.998 -4.963 17.418 1.00 2.04 O ATOM 659 CB LEU A 41 20.122 -4.249 14.448 1.00 64.43 C ATOM 660 CG LEU A 41 21.285 -3.792 13.577 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.752 -3.050 12.349 1.00 15.13 C ATOM 662 CD2 LEU A 41 22.218 -2.892 14.372 1.00 2.24 C ATOM 0 H LEU A 41 21.465 -6.271 14.170 1.00 22.50 H new ATOM 0 HA LEU A 41 21.282 -4.436 16.292 1.00 60.20 H new ATOM 0 HB2 LEU A 41 19.441 -4.867 13.862 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.554 -3.384 14.789 1.00 64.43 H new ATOM 0 HG LEU A 41 21.846 -4.667 13.248 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.588 -2.725 11.729 1.00 15.13 H new ATOM 0 HD12 LEU A 41 20.110 -3.715 11.772 1.00 15.13 H new ATOM 0 HD13 LEU A 41 20.179 -2.180 12.670 1.00 15.13 H new ATOM 0 HD21 LEU A 41 23.044 -2.573 13.737 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.670 -2.017 14.721 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.610 -3.440 15.229 1.00 2.24 H new ATOM 674 N ASP A 42 18.767 -6.500 15.789 1.00 3.40 N ATOM 675 CA ASP A 42 17.492 -7.005 16.273 1.00 20.53 C ATOM 676 C ASP A 42 17.635 -7.937 17.471 1.00 55.41 C ATOM 677 O ASP A 42 16.831 -7.872 18.409 1.00 3.34 O ATOM 678 CB ASP A 42 16.729 -7.705 15.147 1.00 22.22 C ATOM 679 CG ASP A 42 15.258 -7.781 15.487 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.648 -6.741 15.604 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.753 -8.863 15.617 1.00 72.43 O ATOM 0 H ASP A 42 19.106 -6.964 14.946 1.00 3.40 H new ATOM 0 HA ASP A 42 16.925 -6.138 16.613 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.867 -7.163 14.212 1.00 22.22 H new ATOM 0 HB3 ASP A 42 17.128 -8.708 14.995 1.00 22.22 H new ATOM 686 N TYR A 43 18.588 -8.872 17.400 1.00 32.23 N ATOM 687 CA TYR A 43 18.726 -9.899 18.446 1.00 3.43 C ATOM 688 C TYR A 43 19.999 -9.742 19.266 1.00 54.44 C ATOM 689 O TYR A 43 20.203 -10.471 20.234 1.00 52.22 O ATOM 690 CB TYR A 43 18.696 -11.296 17.814 1.00 12.45 C ATOM 691 CG TYR A 43 17.413 -11.447 17.040 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.224 -11.785 17.699 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.412 -11.231 15.662 1.00 13.44 C ATOM 694 CE1 TYR A 43 15.036 -11.905 16.971 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.228 -11.342 14.941 1.00 50.22 C ATOM 696 CZ TYR A 43 15.042 -11.678 15.592 1.00 33.42 C ATOM 697 OH TYR A 43 13.877 -11.768 14.875 1.00 11.32 O ATOM 0 H TYR A 43 19.268 -8.942 16.643 1.00 32.23 H new ATOM 0 HA TYR A 43 17.884 -9.771 19.126 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.553 -11.431 17.155 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.764 -12.062 18.586 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.225 -11.952 18.766 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.331 -10.977 15.155 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.118 -12.172 17.472 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.227 -11.168 13.875 1.00 50.22 H new ATOM 0 HH TYR A 43 14.059 -11.580 13.931 1.00 11.32 H new ATOM 707 N GLY A 44 20.871 -8.833 18.868 1.00 13.32 N ATOM 708 CA GLY A 44 22.131 -8.646 19.580 1.00 51.52 C ATOM 709 C GLY A 44 23.070 -9.802 19.309 1.00 41.34 C ATOM 710 O GLY A 44 24.022 -10.023 20.043 1.00 41.15 O ATOM 0 H GLY A 44 20.737 -8.217 18.066 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.596 -7.711 19.268 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.942 -8.566 20.651 1.00 51.52 H new ATOM 714 N PHE A 45 22.798 -10.542 18.245 1.00 73.22 N ATOM 715 CA PHE A 45 23.635 -11.679 17.874 1.00 0.40 C ATOM 716 C PHE A 45 24.920 -11.182 17.223 1.00 12.32 C ATOM 717 O PHE A 45 24.882 -10.655 16.104 1.00 44.25 O ATOM 718 CB PHE A 45 22.878 -12.608 16.911 1.00 13.01 C ATOM 719 CG PHE A 45 21.765 -13.350 17.644 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.433 -13.025 18.976 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.067 -14.374 16.985 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.414 -13.720 19.632 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.049 -15.067 17.650 1.00 74.25 C ATOM 724 CZ PHE A 45 19.721 -14.739 18.969 1.00 11.12 C ATOM 0 H PHE A 45 22.007 -10.378 17.623 1.00 73.22 H new ATOM 0 HA PHE A 45 23.885 -12.242 18.773 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.456 -12.026 16.092 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.570 -13.325 16.469 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.967 -12.239 19.489 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.315 -14.627 15.965 1.00 43.54 H new ATOM 0 HE1 PHE A 45 20.161 -13.471 20.652 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.515 -15.857 17.143 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.932 -15.273 19.477 1.00 11.12 H new ATOM 734 N PRO A 46 26.030 -11.218 17.939 1.00 33.44 N ATOM 735 CA PRO A 46 27.313 -10.631 17.454 1.00 1.25 C ATOM 736 C PRO A 46 27.791 -11.295 16.170 1.00 72.23 C ATOM 737 O PRO A 46 27.465 -12.456 15.903 1.00 63.41 O ATOM 738 CB PRO A 46 28.292 -10.886 18.610 1.00 45.41 C ATOM 739 CG PRO A 46 27.700 -12.039 19.352 1.00 3.22 C ATOM 740 CD PRO A 46 26.191 -11.838 19.271 1.00 61.54 C ATOM 0 HA PRO A 46 27.216 -9.574 17.205 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.290 -11.122 18.241 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.388 -10.009 19.250 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.995 -12.988 18.904 1.00 3.22 H new ATOM 0 HG3 PRO A 46 28.039 -12.056 20.388 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.650 -12.781 19.349 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.823 -11.192 20.068 1.00 61.54 H new ATOM 748 N PRO A 47 28.563 -10.598 15.386 1.00 24.43 N ATOM 749 CA PRO A 47 29.056 -11.118 14.076 1.00 3.35 C ATOM 750 C PRO A 47 29.865 -12.390 14.227 1.00 32.23 C ATOM 751 O PRO A 47 29.811 -13.276 13.376 1.00 60.40 O ATOM 752 CB PRO A 47 29.920 -9.976 13.532 1.00 22.12 C ATOM 753 CG PRO A 47 30.270 -9.152 14.730 1.00 61.03 C ATOM 754 CD PRO A 47 29.064 -9.237 15.655 1.00 72.21 C ATOM 0 HA PRO A 47 28.236 -11.390 13.412 1.00 3.35 H new ATOM 0 HB2 PRO A 47 30.815 -10.358 13.040 1.00 22.12 H new ATOM 0 HB3 PRO A 47 29.377 -9.387 12.793 1.00 22.12 H new ATOM 0 HG2 PRO A 47 31.166 -9.533 15.219 1.00 61.03 H new ATOM 0 HG3 PRO A 47 30.475 -8.119 14.448 1.00 61.03 H new ATOM 0 HD2 PRO A 47 29.342 -9.104 16.701 1.00 72.21 H new ATOM 0 HD3 PRO A 47 28.319 -8.475 15.424 1.00 72.21 H new ATOM 762 N VAL A 48 30.555 -12.513 15.336 1.00 2.22 N ATOM 763 CA VAL A 48 31.311 -13.715 15.600 1.00 3.34 C ATOM 764 C VAL A 48 30.357 -14.907 15.635 1.00 13.44 C ATOM 765 O VAL A 48 30.562 -15.913 14.942 1.00 24.32 O ATOM 766 CB VAL A 48 32.058 -13.565 16.948 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.072 -13.232 18.068 1.00 44.54 C ATOM 768 CG2 VAL A 48 32.805 -14.854 17.298 1.00 41.53 C ATOM 0 H VAL A 48 30.609 -11.802 16.065 1.00 2.22 H new ATOM 0 HA VAL A 48 32.048 -13.879 14.814 1.00 3.34 H new ATOM 0 HB VAL A 48 32.778 -12.753 16.846 1.00 51.11 H new ATOM 0 HG11 VAL A 48 31.612 -13.130 19.009 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.563 -12.296 17.838 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.338 -14.033 18.156 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.323 -14.728 18.249 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.094 -15.676 17.379 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.531 -15.078 16.516 1.00 41.53 H new ATOM 778 N LEU A 49 29.275 -14.743 16.389 1.00 54.44 N ATOM 779 CA LEU A 49 28.228 -15.746 16.475 1.00 52.43 C ATOM 780 C LEU A 49 27.402 -15.788 15.207 1.00 2.01 C ATOM 781 O LEU A 49 26.890 -16.833 14.834 1.00 62.52 O ATOM 782 CB LEU A 49 27.327 -15.499 17.685 1.00 62.41 C ATOM 783 CG LEU A 49 28.143 -15.638 18.978 1.00 55.31 C ATOM 784 CD1 LEU A 49 27.259 -15.338 20.191 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.702 -17.055 19.094 1.00 21.42 C ATOM 0 H LEU A 49 29.103 -13.912 16.955 1.00 54.44 H new ATOM 0 HA LEU A 49 28.714 -16.714 16.599 1.00 52.43 H new ATOM 0 HB2 LEU A 49 26.889 -14.503 17.626 1.00 62.41 H new ATOM 0 HB3 LEU A 49 26.502 -16.211 17.687 1.00 62.41 H new ATOM 0 HG LEU A 49 28.968 -14.926 18.949 1.00 55.31 H new ATOM 0 HD11 LEU A 49 27.847 -15.439 21.103 1.00 45.40 H new ATOM 0 HD12 LEU A 49 26.874 -14.321 20.118 1.00 45.40 H new ATOM 0 HD13 LEU A 49 26.426 -16.040 20.216 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.279 -17.144 20.014 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.880 -17.770 19.111 1.00 21.42 H new ATOM 0 HD23 LEU A 49 29.346 -17.263 18.240 1.00 21.42 H new ATOM 797 N GLN A 50 27.173 -14.617 14.635 1.00 62.55 N ATOM 798 CA GLN A 50 26.302 -14.470 13.476 1.00 24.52 C ATOM 799 C GLN A 50 26.785 -15.322 12.303 1.00 43.40 C ATOM 800 O GLN A 50 27.123 -14.794 11.238 1.00 65.42 O ATOM 801 CB GLN A 50 26.239 -12.991 13.061 1.00 53.50 C ATOM 802 CG GLN A 50 25.125 -12.761 12.027 1.00 42.03 C ATOM 803 CD GLN A 50 23.774 -12.646 12.712 1.00 24.14 C ATOM 804 OE1 GLN A 50 22.828 -13.336 12.332 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.621 -11.821 13.709 1.00 23.53 N ATOM 0 H GLN A 50 27.584 -13.742 14.959 1.00 62.55 H new ATOM 0 HA GLN A 50 25.306 -14.816 13.752 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.061 -12.370 13.939 1.00 53.50 H new ATOM 0 HB3 GLN A 50 27.198 -12.685 12.643 1.00 53.50 H new ATOM 0 HG2 GLN A 50 25.330 -11.853 11.460 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.108 -13.585 11.314 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.405 -11.250 14.023 1.00 23.53 H new ATOM 0 HE22 GLN A 50 22.717 -11.747 14.175 1.00 23.53 H new ATOM 814 N GLN A 51 26.767 -16.633 12.475 1.00 50.00 N ATOM 815 CA GLN A 51 27.132 -17.537 11.403 1.00 5.12 C ATOM 816 C GLN A 51 25.870 -18.087 10.763 1.00 24.14 C ATOM 817 O GLN A 51 25.057 -18.749 11.425 1.00 52.33 O ATOM 818 CB GLN A 51 28.006 -18.683 11.924 1.00 32.34 C ATOM 819 CG GLN A 51 29.217 -18.112 12.677 1.00 40.52 C ATOM 820 CD GLN A 51 29.990 -17.148 11.786 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.234 -17.446 10.611 1.00 2.14 O ATOM 822 NE2 GLN A 51 30.391 -16.012 12.268 1.00 64.45 N ATOM 0 H GLN A 51 26.503 -17.093 13.347 1.00 50.00 H new ATOM 0 HA GLN A 51 27.711 -16.988 10.660 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.424 -19.325 12.586 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.342 -19.303 11.093 1.00 32.34 H new ATOM 0 HG2 GLN A 51 28.883 -17.597 13.578 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.870 -18.924 12.998 1.00 40.52 H new ATOM 0 HE21 GLN A 51 30.188 -15.769 13.238 1.00 64.45 H new ATOM 0 HE22 GLN A 51 30.909 -15.362 11.677 1.00 64.45 H new ATOM 831 N TRP A 52 25.675 -17.742 9.507 1.00 42.04 N ATOM 832 CA TRP A 52 24.476 -18.110 8.782 1.00 31.04 C ATOM 833 C TRP A 52 24.748 -19.290 7.885 1.00 72.42 C ATOM 834 O TRP A 52 25.731 -19.290 7.136 1.00 1.43 O ATOM 835 CB TRP A 52 24.019 -16.925 7.920 1.00 75.43 C ATOM 836 CG TRP A 52 23.135 -16.030 8.715 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.500 -15.368 9.834 1.00 33.04 C ATOM 838 CD2 TRP A 52 21.751 -15.681 8.466 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.420 -14.640 10.293 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.315 -14.802 9.480 1.00 62.02 C ATOM 841 CE3 TRP A 52 20.839 -16.044 7.464 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.015 -14.301 9.499 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.533 -15.542 7.479 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.122 -14.672 8.496 1.00 64.43 C ATOM 0 H TRP A 52 26.343 -17.199 8.960 1.00 42.04 H new ATOM 0 HA TRP A 52 23.700 -18.376 9.499 1.00 31.04 H new ATOM 0 HB2 TRP A 52 24.886 -16.369 7.562 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.487 -17.288 7.041 1.00 75.43 H new ATOM 0 HD1 TRP A 52 24.476 -15.402 10.294 1.00 33.04 H new ATOM 0 HE1 TRP A 52 22.436 -14.055 11.129 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.147 -16.715 6.676 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 19.702 -13.630 10.285 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.839 -15.827 6.702 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.112 -14.288 8.503 1.00 64.43 H new ATOM 855 N VAL A 53 23.847 -20.244 7.886 1.00 64.50 N ATOM 856 CA VAL A 53 23.952 -21.374 6.993 1.00 13.22 C ATOM 857 C VAL A 53 22.758 -21.364 6.051 1.00 24.40 C ATOM 858 O VAL A 53 21.605 -21.389 6.491 1.00 52.11 O ATOM 859 CB VAL A 53 23.976 -22.690 7.799 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.682 -23.792 7.005 1.00 70.32 C ATOM 861 CG2 VAL A 53 24.689 -22.479 9.143 1.00 70.32 C ATOM 0 H VAL A 53 23.031 -20.260 8.497 1.00 64.50 H new ATOM 0 HA VAL A 53 24.877 -21.304 6.421 1.00 13.22 H new ATOM 0 HB VAL A 53 22.947 -22.996 7.987 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.690 -24.713 7.588 1.00 70.32 H new ATOM 0 HG12 VAL A 53 24.153 -23.961 6.067 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.707 -23.488 6.793 1.00 70.32 H new ATOM 0 HG21 VAL A 53 24.698 -23.415 9.701 1.00 70.32 H new ATOM 0 HG22 VAL A 53 25.714 -22.153 8.964 1.00 70.32 H new ATOM 0 HG23 VAL A 53 24.162 -21.719 9.719 1.00 70.32 H new ATOM 871 N ILE A 54 23.041 -21.340 4.766 1.00 31.32 N ATOM 872 CA ILE A 54 22.015 -21.399 3.741 1.00 2.42 C ATOM 873 C ILE A 54 22.483 -22.362 2.659 1.00 55.44 C ATOM 874 O ILE A 54 23.634 -22.285 2.220 1.00 64.42 O ATOM 875 CB ILE A 54 21.735 -19.987 3.156 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.233 -19.060 4.272 1.00 70.55 C ATOM 877 CG2 ILE A 54 20.658 -20.071 2.075 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.186 -17.621 3.754 1.00 33.44 C ATOM 0 H ILE A 54 23.991 -21.279 4.399 1.00 31.32 H new ATOM 0 HA ILE A 54 21.078 -21.755 4.169 1.00 2.42 H new ATOM 0 HB ILE A 54 22.658 -19.597 2.727 1.00 61.22 H new ATOM 0 HG12 ILE A 54 20.242 -19.372 4.601 1.00 70.55 H new ATOM 0 HG13 ILE A 54 21.892 -19.125 5.138 1.00 70.55 H new ATOM 0 HG21 ILE A 54 20.469 -19.076 1.671 1.00 73.52 H new ATOM 0 HG22 ILE A 54 20.996 -20.729 1.275 1.00 73.52 H new ATOM 0 HG23 ILE A 54 19.739 -20.468 2.507 1.00 73.52 H new ATOM 0 HD11 ILE A 54 20.830 -16.961 4.545 1.00 33.44 H new ATOM 0 HD12 ILE A 54 22.185 -17.312 3.446 1.00 33.44 H new ATOM 0 HD13 ILE A 54 20.510 -17.563 2.901 1.00 33.44 H new ATOM 991 N ASP A 61 28.100 -13.294 1.961 1.00 5.24 N ATOM 992 CA ASP A 61 26.907 -12.809 2.620 1.00 62.30 C ATOM 993 C ASP A 61 26.487 -11.532 1.930 1.00 23.25 C ATOM 994 O ASP A 61 25.365 -11.062 2.080 1.00 41.02 O ATOM 995 CB ASP A 61 27.139 -12.567 4.124 1.00 4.03 C ATOM 996 CG ASP A 61 28.315 -11.638 4.391 1.00 13.24 C ATOM 997 OD1 ASP A 61 29.063 -11.356 3.472 1.00 33.05 O ATOM 998 OD2 ASP A 61 28.455 -11.219 5.525 1.00 24.14 O ATOM 0 HA ASP A 61 26.121 -13.561 2.548 1.00 62.30 H new ATOM 0 HB2 ASP A 61 26.237 -12.141 4.563 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.315 -13.522 4.619 1.00 4.03 H new ATOM 1003 N GLN A 62 27.412 -11.008 1.139 1.00 12.52 N ATOM 1004 CA GLN A 62 27.215 -9.811 0.349 1.00 34.33 C ATOM 1005 C GLN A 62 26.207 -10.077 -0.769 1.00 44.45 C ATOM 1006 O GLN A 62 25.431 -9.185 -1.147 1.00 1.43 O ATOM 1007 CB GLN A 62 28.558 -9.407 -0.256 1.00 0.02 C ATOM 1008 CG GLN A 62 29.520 -9.033 0.873 1.00 25.23 C ATOM 1009 CD GLN A 62 30.916 -8.810 0.320 1.00 11.12 C ATOM 1010 OE1 GLN A 62 31.095 -8.078 -0.660 1.00 1.45 O ATOM 1011 NE2 GLN A 62 31.920 -9.414 0.870 1.00 15.21 N ATOM 0 H GLN A 62 28.340 -11.416 1.029 1.00 12.52 H new ATOM 0 HA GLN A 62 26.828 -9.011 0.981 1.00 34.33 H new ATOM 0 HB2 GLN A 62 28.968 -10.228 -0.844 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.427 -8.564 -0.934 1.00 0.02 H new ATOM 0 HG2 GLN A 62 29.171 -8.130 1.374 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.540 -9.825 1.621 1.00 25.23 H new ATOM 0 HE21 GLN A 62 31.771 -10.018 1.679 1.00 15.21 H new ATOM 0 HE22 GLN A 62 32.860 -9.286 0.495 1.00 15.21 H new ATOM 1020 N GLU A 63 26.217 -11.304 -1.299 1.00 4.31 N ATOM 1021 CA GLU A 63 25.275 -11.669 -2.359 1.00 63.23 C ATOM 1022 C GLU A 63 23.834 -11.411 -1.942 1.00 22.23 C ATOM 1023 O GLU A 63 23.499 -11.431 -0.750 1.00 10.12 O ATOM 1024 CB GLU A 63 25.448 -13.133 -2.798 1.00 4.24 C ATOM 1025 CG GLU A 63 26.401 -13.202 -4.000 1.00 13.54 C ATOM 1026 CD GLU A 63 25.757 -12.561 -5.234 1.00 55.25 C ATOM 1027 OE1 GLU A 63 24.541 -12.459 -5.271 1.00 51.42 O ATOM 1028 OE2 GLU A 63 26.485 -12.168 -6.123 1.00 33.23 O ATOM 0 H GLU A 63 26.855 -12.049 -1.017 1.00 4.31 H new ATOM 0 HA GLU A 63 25.504 -11.031 -3.212 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.843 -13.726 -1.973 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.481 -13.560 -3.063 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.333 -12.690 -3.762 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.653 -14.241 -4.212 1.00 13.54 H new ATOM 1035 N THR A 64 22.998 -11.156 -2.929 1.00 35.12 N ATOM 1036 CA THR A 64 21.599 -10.863 -2.698 1.00 71.14 C ATOM 1037 C THR A 64 20.876 -12.046 -2.081 1.00 54.02 C ATOM 1038 O THR A 64 21.233 -13.202 -2.314 1.00 2.04 O ATOM 1039 CB THR A 64 20.918 -10.461 -4.012 1.00 71.33 C ATOM 1040 OG1 THR A 64 21.708 -10.895 -5.123 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.729 -8.946 -4.079 1.00 70.13 C ATOM 0 H THR A 64 23.270 -11.146 -3.912 1.00 35.12 H new ATOM 0 HA THR A 64 21.546 -10.032 -1.994 1.00 71.14 H new ATOM 0 HB THR A 64 19.939 -10.939 -4.053 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.730 -11.874 -5.146 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.244 -8.681 -5.019 1.00 70.13 H new ATOM 0 HG22 THR A 64 20.107 -8.620 -3.245 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.701 -8.455 -4.021 1.00 70.13 H new ATOM 1049 N LEU A 65 19.816 -11.755 -1.353 1.00 11.25 N ATOM 1050 CA LEU A 65 19.012 -12.793 -0.754 1.00 22.02 C ATOM 1051 C LEU A 65 18.420 -13.653 -1.859 1.00 11.33 C ATOM 1052 O LEU A 65 18.447 -14.884 -1.792 1.00 62.22 O ATOM 1053 CB LEU A 65 17.893 -12.174 0.093 1.00 34.52 C ATOM 1054 CG LEU A 65 18.488 -11.413 1.287 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.364 -10.744 2.067 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.244 -12.371 2.208 1.00 30.03 C ATOM 0 H LEU A 65 19.494 -10.806 -1.164 1.00 11.25 H new ATOM 0 HA LEU A 65 19.633 -13.408 -0.103 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.297 -11.496 -0.518 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.222 -12.956 0.449 1.00 34.52 H new ATOM 0 HG LEU A 65 19.183 -10.660 0.915 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.782 -10.203 2.916 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.835 -10.047 1.417 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.669 -11.503 2.427 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.659 -11.816 3.049 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.560 -13.134 2.580 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.052 -12.847 1.653 1.00 30.03 H new ATOM 1068 N HIS A 66 17.987 -12.998 -2.927 1.00 73.23 N ATOM 1069 CA HIS A 66 17.457 -13.702 -4.092 1.00 34.14 C ATOM 1070 C HIS A 66 18.493 -14.679 -4.634 1.00 10.32 C ATOM 1071 O HIS A 66 18.161 -15.806 -5.008 1.00 1.13 O ATOM 1072 CB HIS A 66 17.050 -12.715 -5.191 1.00 25.42 C ATOM 1073 CG HIS A 66 16.346 -13.465 -6.290 1.00 52.33 C ATOM 1074 ND1 HIS A 66 17.034 -14.014 -7.361 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.020 -13.775 -6.495 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.128 -14.617 -8.151 1.00 44.55 C ATOM 1077 NE2 HIS A 66 14.889 -14.503 -7.672 1.00 53.54 N ATOM 0 H HIS A 66 17.991 -11.982 -3.013 1.00 73.23 H new ATOM 0 HA HIS A 66 16.571 -14.255 -3.778 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.395 -11.945 -4.782 1.00 25.42 H new ATOM 0 HB3 HIS A 66 17.930 -12.208 -5.586 1.00 25.42 H new ATOM 0 HD2 HIS A 66 14.207 -13.495 -5.842 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.375 -15.133 -9.067 1.00 44.55 H new ATOM 0 HE2 HIS A 66 14.030 -14.871 -8.081 1.00 53.54 H new ATOM 1086 N SER A 67 19.754 -14.271 -4.623 1.00 14.51 N ATOM 1087 CA SER A 67 20.830 -15.141 -5.079 1.00 21.22 C ATOM 1088 C SER A 67 20.782 -16.453 -4.311 1.00 5.04 C ATOM 1089 O SER A 67 21.089 -17.520 -4.850 1.00 31.30 O ATOM 1090 CB SER A 67 22.186 -14.465 -4.871 1.00 53.23 C ATOM 1091 OG SER A 67 22.163 -13.159 -5.449 1.00 52.30 O ATOM 0 H SER A 67 20.056 -13.350 -4.306 1.00 14.51 H new ATOM 0 HA SER A 67 20.700 -15.338 -6.143 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.411 -14.399 -3.807 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.975 -15.062 -5.328 1.00 53.23 H new ATOM 0 HG SER A 67 23.039 -12.958 -5.839 1.00 52.30 H new ATOM 1097 N HIS A 68 20.365 -16.374 -3.062 1.00 71.23 N ATOM 1098 CA HIS A 68 20.256 -17.544 -2.215 1.00 44.15 C ATOM 1099 C HIS A 68 18.926 -18.251 -2.436 1.00 51.40 C ATOM 1100 O HIS A 68 18.632 -19.265 -1.812 1.00 71.43 O ATOM 1101 CB HIS A 68 20.482 -17.168 -0.757 1.00 24.14 C ATOM 1102 CG HIS A 68 21.813 -16.474 -0.678 1.00 33.13 C ATOM 1103 ND1 HIS A 68 22.155 -15.184 -0.370 1.00 40.22 N flip ATOM 1104 CD2 HIS A 68 23.002 -17.121 -0.988 1.00 74.41 C flip ATOM 1105 CE1 HIS A 68 23.533 -15.017 -0.485 1.00 31.20 C flip ATOM 1106 NE2 HIS A 68 23.997 -16.215 -0.859 1.00 62.11 N flip ATOM 0 H HIS A 68 20.094 -15.502 -2.609 1.00 71.23 H new ATOM 0 HA HIS A 68 21.037 -18.253 -2.489 1.00 44.15 H new ATOM 0 HB2 HIS A 68 19.686 -16.515 -0.400 1.00 24.14 H new ATOM 0 HB3 HIS A 68 20.473 -18.056 -0.125 1.00 24.14 H new ATOM 0 HD2 HIS A 68 23.111 -18.156 -1.278 1.00 74.41 H new ATOM 0 HE1 HIS A 68 24.103 -14.116 -0.310 1.00 31.20 H new ATOM 0 HE2 HIS A 68 24.982 -16.420 -1.026 1.00 62.11 H new ATOM 1115 N GLY A 69 18.186 -17.775 -3.420 1.00 24.31 N ATOM 1116 CA GLY A 69 16.983 -18.448 -3.865 1.00 1.43 C ATOM 1117 C GLY A 69 15.781 -18.144 -3.008 1.00 24.22 C ATOM 1118 O GLY A 69 14.716 -18.744 -3.210 1.00 54.34 O ATOM 0 H GLY A 69 18.401 -16.918 -3.929 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.771 -18.157 -4.894 1.00 1.43 H new ATOM 0 HA3 GLY A 69 17.156 -19.524 -3.868 1.00 1.43 H new ATOM 1122 N VAL A 70 15.883 -17.168 -2.115 1.00 14.11 N ATOM 1123 CA VAL A 70 14.707 -16.807 -1.350 1.00 2.23 C ATOM 1124 C VAL A 70 13.799 -15.954 -2.237 1.00 63.41 C ATOM 1125 O VAL A 70 13.867 -14.724 -2.253 1.00 21.42 O ATOM 1126 CB VAL A 70 15.120 -16.075 -0.051 1.00 22.03 C ATOM 1127 CG1 VAL A 70 15.932 -14.819 -0.372 1.00 73.22 C ATOM 1128 CG2 VAL A 70 13.884 -15.698 0.778 1.00 4.51 C ATOM 0 H VAL A 70 16.729 -16.636 -1.911 1.00 14.11 H new ATOM 0 HA VAL A 70 14.155 -17.696 -1.045 1.00 2.23 H new ATOM 0 HB VAL A 70 15.740 -16.755 0.533 1.00 22.03 H new ATOM 0 HG11 VAL A 70 16.212 -14.320 0.556 1.00 73.22 H new ATOM 0 HG12 VAL A 70 16.832 -15.098 -0.920 1.00 73.22 H new ATOM 0 HG13 VAL A 70 15.331 -14.143 -0.981 1.00 73.22 H new ATOM 0 HG21 VAL A 70 14.198 -15.184 1.687 1.00 4.51 H new ATOM 0 HG22 VAL A 70 13.241 -15.040 0.193 1.00 4.51 H new ATOM 0 HG23 VAL A 70 13.334 -16.601 1.043 1.00 4.51 H new ATOM 1138 N ARG A 71 13.037 -16.647 -3.056 1.00 60.24 N ATOM 1139 CA ARG A 71 12.161 -16.037 -4.044 1.00 5.14 C ATOM 1140 C ARG A 71 10.954 -15.375 -3.392 1.00 73.44 C ATOM 1141 O ARG A 71 10.483 -14.332 -3.843 1.00 42.30 O ATOM 1142 CB ARG A 71 11.734 -17.107 -5.048 1.00 72.31 C ATOM 1143 CG ARG A 71 12.947 -17.481 -5.921 1.00 42.42 C ATOM 1144 CD ARG A 71 12.636 -18.744 -6.727 1.00 13.23 C ATOM 1145 NE ARG A 71 12.606 -19.894 -5.821 1.00 43.00 N ATOM 1146 CZ ARG A 71 12.206 -21.102 -6.208 1.00 42.14 C ATOM 1147 NH1 ARG A 71 11.790 -21.298 -7.426 1.00 15.55 N ATOM 1148 NH2 ARG A 71 12.234 -22.088 -5.355 1.00 31.11 N ATOM 0 H ARG A 71 13.005 -17.667 -3.057 1.00 60.24 H new ATOM 0 HA ARG A 71 12.703 -15.247 -4.564 1.00 5.14 H new ATOM 0 HB2 ARG A 71 11.360 -17.987 -4.525 1.00 72.31 H new ATOM 0 HB3 ARG A 71 10.920 -16.736 -5.671 1.00 72.31 H new ATOM 0 HG2 ARG A 71 13.189 -16.659 -6.595 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.822 -17.646 -5.292 1.00 42.42 H new ATOM 0 HD2 ARG A 71 11.677 -18.640 -7.235 1.00 13.23 H new ATOM 0 HD3 ARG A 71 13.391 -18.893 -7.499 1.00 13.23 H new ATOM 0 HE ARG A 71 12.904 -19.763 -4.854 1.00 43.00 H new ATOM 0 HH11 ARG A 71 11.770 -20.523 -8.089 1.00 15.55 H new ATOM 0 HH12 ARG A 71 11.484 -22.227 -7.717 1.00 15.55 H new ATOM 0 HH21 ARG A 71 12.560 -21.929 -4.402 1.00 31.11 H new ATOM 0 HH22 ARG A 71 11.930 -23.019 -5.641 1.00 31.11 H new ATOM 1162 N GLN A 72 10.408 -16.040 -2.391 1.00 22.33 N ATOM 1163 CA GLN A 72 9.206 -15.576 -1.703 1.00 11.22 C ATOM 1164 C GLN A 72 9.321 -15.765 -0.215 1.00 63.41 C ATOM 1165 O GLN A 72 10.187 -16.509 0.266 1.00 54.20 O ATOM 1166 CB GLN A 72 7.982 -16.343 -2.191 1.00 72.22 C ATOM 1167 CG GLN A 72 7.641 -15.926 -3.610 1.00 11.44 C ATOM 1168 CD GLN A 72 6.513 -16.789 -4.120 1.00 64.24 C ATOM 1169 OE1 GLN A 72 5.340 -16.455 -3.947 1.00 55.53 O ATOM 1170 NE2 GLN A 72 6.788 -17.901 -4.703 1.00 55.43 N ATOM 0 H GLN A 72 10.781 -16.917 -2.028 1.00 22.33 H new ATOM 0 HA GLN A 72 9.098 -14.514 -1.925 1.00 11.22 H new ATOM 0 HB2 GLN A 72 8.176 -17.415 -2.155 1.00 72.22 H new ATOM 0 HB3 GLN A 72 7.135 -16.150 -1.533 1.00 72.22 H new ATOM 0 HG2 GLN A 72 7.351 -14.875 -3.634 1.00 11.44 H new ATOM 0 HG3 GLN A 72 8.515 -16.030 -4.253 1.00 11.44 H new ATOM 0 HE21 GLN A 72 7.760 -18.176 -4.845 1.00 55.43 H new ATOM 0 HE22 GLN A 72 6.034 -18.509 -5.023 1.00 55.43 H new ATOM 1179 N ASN A 73 8.362 -15.198 0.498 1.00 71.53 N ATOM 1180 CA ASN A 73 8.258 -15.386 1.931 1.00 20.42 C ATOM 1181 C ASN A 73 8.032 -16.850 2.230 1.00 52.02 C ATOM 1182 O ASN A 73 7.516 -17.589 1.386 1.00 44.32 O ATOM 1183 CB ASN A 73 7.101 -14.546 2.510 1.00 43.42 C ATOM 1184 CG ASN A 73 5.790 -15.330 2.506 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.395 -15.882 3.540 1.00 70.33 O ATOM 1186 ND2 ASN A 73 5.094 -15.409 1.419 1.00 55.51 N ATOM 0 H ASN A 73 7.639 -14.598 0.101 1.00 71.53 H new ATOM 0 HA ASN A 73 9.186 -15.056 2.397 1.00 20.42 H new ATOM 0 HB2 ASN A 73 7.343 -14.243 3.529 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.983 -13.633 1.926 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.216 -15.928 1.412 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.423 -14.952 0.568 1.00 55.51 H new ATOM 1193 N GLY A 74 8.412 -17.275 3.411 1.00 42.33 N ATOM 1194 CA GLY A 74 8.248 -18.660 3.794 1.00 72.21 C ATOM 1195 C GLY A 74 9.533 -19.439 3.593 1.00 53.51 C ATOM 1196 O GLY A 74 9.578 -20.652 3.810 1.00 53.41 O ATOM 0 H GLY A 74 8.837 -16.683 4.125 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.944 -18.718 4.839 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.450 -19.111 3.205 1.00 72.21 H new ATOM 1200 N ASP A 75 10.596 -18.743 3.209 1.00 74.32 N ATOM 1201 CA ASP A 75 11.890 -19.388 3.062 1.00 40.23 C ATOM 1202 C ASP A 75 12.562 -19.474 4.413 1.00 33.23 C ATOM 1203 O ASP A 75 12.226 -18.709 5.329 1.00 22.31 O ATOM 1204 CB ASP A 75 12.786 -18.646 2.075 1.00 54.44 C ATOM 1205 CG ASP A 75 13.697 -19.630 1.376 1.00 32.10 C ATOM 1206 OD1 ASP A 75 14.565 -20.169 2.020 1.00 41.44 O ATOM 1207 OD2 ASP A 75 13.499 -19.856 0.203 1.00 43.04 O ATOM 0 H ASP A 75 10.587 -17.745 2.997 1.00 74.32 H new ATOM 0 HA ASP A 75 11.728 -20.389 2.663 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.177 -18.116 1.343 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.378 -17.896 2.599 1.00 54.44 H new ATOM 1212 N SER A 76 13.499 -20.386 4.547 1.00 54.11 N ATOM 1213 CA SER A 76 14.186 -20.571 5.814 1.00 54.23 C ATOM 1214 C SER A 76 15.701 -20.526 5.653 1.00 1.51 C ATOM 1215 O SER A 76 16.251 -21.031 4.663 1.00 74.44 O ATOM 1216 CB SER A 76 13.761 -21.897 6.458 1.00 52.41 C ATOM 1217 OG SER A 76 13.306 -22.804 5.442 1.00 21.32 O ATOM 0 H SER A 76 13.805 -21.010 3.801 1.00 54.11 H new ATOM 0 HA SER A 76 13.901 -19.745 6.465 1.00 54.23 H new ATOM 0 HB2 SER A 76 14.599 -22.334 7.001 1.00 52.41 H new ATOM 0 HB3 SER A 76 12.968 -21.722 7.185 1.00 52.41 H new ATOM 0 HG SER A 76 13.037 -23.651 5.856 1.00 21.32 H new ATOM 1223 N ALA A 77 16.373 -20.017 6.672 1.00 33.13 N ATOM 1224 CA ALA A 77 17.830 -19.982 6.720 1.00 74.42 C ATOM 1225 C ALA A 77 18.287 -20.499 8.067 1.00 71.15 C ATOM 1226 O ALA A 77 17.468 -20.666 8.982 1.00 14.41 O ATOM 1227 CB ALA A 77 18.335 -18.552 6.515 1.00 5.24 C ATOM 0 H ALA A 77 15.924 -19.614 7.494 1.00 33.13 H new ATOM 0 HA ALA A 77 18.234 -20.608 5.924 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.424 -18.542 6.553 1.00 5.24 H new ATOM 0 HB2 ALA A 77 18.003 -18.184 5.544 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.938 -17.910 7.301 1.00 5.24 H new ATOM 1233 N TYR A 78 19.564 -20.799 8.196 1.00 12.02 N ATOM 1234 CA TYR A 78 20.051 -21.373 9.436 1.00 11.21 C ATOM 1235 C TYR A 78 21.066 -20.474 10.107 1.00 11.53 C ATOM 1236 O TYR A 78 22.083 -20.125 9.510 1.00 70.42 O ATOM 1237 CB TYR A 78 20.666 -22.751 9.183 1.00 33.45 C ATOM 1238 CG TYR A 78 20.146 -23.709 10.216 1.00 43.33 C ATOM 1239 CD1 TYR A 78 20.504 -23.549 11.554 1.00 61.00 C ATOM 1240 CD2 TYR A 78 19.294 -24.747 9.836 1.00 21.22 C ATOM 1241 CE1 TYR A 78 20.012 -24.424 12.511 1.00 1.34 C ATOM 1242 CE2 TYR A 78 18.800 -25.623 10.798 1.00 41.13 C ATOM 1243 CZ TYR A 78 19.158 -25.461 12.135 1.00 43.02 C ATOM 1244 OH TYR A 78 18.665 -26.324 13.084 1.00 40.42 O ATOM 0 H TYR A 78 20.271 -20.659 7.474 1.00 12.02 H new ATOM 0 HA TYR A 78 19.196 -21.477 10.105 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.412 -23.100 8.182 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.753 -22.694 9.234 1.00 33.45 H new ATOM 0 HD1 TYR A 78 21.164 -22.745 11.845 1.00 61.00 H new ATOM 0 HD2 TYR A 78 19.019 -24.870 8.799 1.00 21.22 H new ATOM 0 HE1 TYR A 78 20.290 -24.303 13.547 1.00 1.34 H new ATOM 0 HE2 TYR A 78 18.140 -26.427 10.509 1.00 41.13 H new ATOM 0 HH TYR A 78 18.085 -26.987 12.654 1.00 40.42 H new ATOM 1254 N LEU A 79 20.850 -20.214 11.381 1.00 25.24 N ATOM 1255 CA LEU A 79 21.811 -19.495 12.198 1.00 53.21 C ATOM 1256 C LEU A 79 22.507 -20.448 13.141 1.00 53.55 C ATOM 1257 O LEU A 79 21.860 -21.174 13.903 1.00 62.25 O ATOM 1258 CB LEU A 79 21.136 -18.368 12.989 1.00 53.33 C ATOM 1259 CG LEU A 79 21.524 -17.014 12.390 1.00 44.43 C ATOM 1260 CD1 LEU A 79 20.628 -15.916 12.971 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.990 -16.710 12.741 1.00 71.21 C ATOM 0 H LEU A 79 20.005 -20.494 11.880 1.00 25.24 H new ATOM 0 HA LEU A 79 22.549 -19.045 11.534 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.053 -18.491 12.964 1.00 53.33 H new ATOM 0 HB3 LEU A 79 21.438 -18.414 14.035 1.00 53.33 H new ATOM 0 HG LEU A 79 21.400 -17.046 11.308 1.00 44.43 H new ATOM 0 HD11 LEU A 79 20.907 -14.954 12.542 1.00 75.51 H new ATOM 0 HD12 LEU A 79 19.587 -16.131 12.732 1.00 75.51 H new ATOM 0 HD13 LEU A 79 20.751 -15.880 14.053 1.00 75.51 H new ATOM 0 HD21 LEU A 79 23.273 -15.747 12.317 1.00 71.21 H new ATOM 0 HD22 LEU A 79 23.106 -16.678 13.824 1.00 71.21 H new ATOM 0 HD23 LEU A 79 23.632 -17.490 12.330 1.00 71.21 H new ATOM 1273 N TYR A 80 23.817 -20.419 13.123 1.00 5.12 N ATOM 1274 CA TYR A 80 24.604 -21.250 14.011 1.00 41.02 C ATOM 1275 C TYR A 80 25.440 -20.352 14.893 1.00 42.44 C ATOM 1276 O TYR A 80 26.226 -19.558 14.387 1.00 55.24 O ATOM 1277 CB TYR A 80 25.518 -22.159 13.183 1.00 20.13 C ATOM 1278 CG TYR A 80 26.272 -23.090 14.099 1.00 72.33 C ATOM 1279 CD1 TYR A 80 27.461 -22.663 14.691 1.00 32.42 C ATOM 1280 CD2 TYR A 80 25.773 -24.369 14.365 1.00 60.13 C ATOM 1281 CE1 TYR A 80 28.158 -23.517 15.553 1.00 4.45 C ATOM 1282 CE2 TYR A 80 26.465 -25.222 15.224 1.00 34.21 C ATOM 1283 CZ TYR A 80 27.657 -24.798 15.818 1.00 1.20 C ATOM 1284 OH TYR A 80 28.335 -25.640 16.674 1.00 2.11 O ATOM 0 H TYR A 80 24.366 -19.826 12.501 1.00 5.12 H new ATOM 0 HA TYR A 80 23.950 -21.869 14.625 1.00 41.02 H new ATOM 0 HB2 TYR A 80 24.927 -22.734 12.470 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.218 -21.557 12.604 1.00 20.13 H new ATOM 0 HD1 TYR A 80 27.843 -21.674 14.484 1.00 32.42 H new ATOM 0 HD2 TYR A 80 24.852 -24.696 13.905 1.00 60.13 H new ATOM 0 HE1 TYR A 80 29.079 -23.190 16.012 1.00 4.45 H new ATOM 0 HE2 TYR A 80 26.080 -26.210 15.430 1.00 34.21 H new ATOM 0 HH TYR A 80 27.851 -26.489 16.749 1.00 2.11 H new ATOM 1294 N LEU A 81 25.265 -20.448 16.202 1.00 0.03 N ATOM 1295 CA LEU A 81 26.008 -19.575 17.100 1.00 31.14 C ATOM 1296 C LEU A 81 27.078 -20.359 17.831 1.00 52.43 C ATOM 1297 O LEU A 81 26.818 -21.436 18.376 1.00 25.33 O ATOM 1298 CB LEU A 81 25.074 -18.893 18.108 1.00 11.44 C ATOM 1299 CG LEU A 81 23.883 -18.252 17.376 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.956 -17.568 18.380 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.349 -17.232 16.333 1.00 62.13 C ATOM 0 H LEU A 81 24.632 -21.104 16.659 1.00 0.03 H new ATOM 0 HA LEU A 81 26.483 -18.801 16.498 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.715 -19.623 18.834 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.621 -18.132 18.665 1.00 11.44 H new ATOM 0 HG LEU A 81 23.344 -19.047 16.860 1.00 63.32 H new ATOM 0 HD11 LEU A 81 22.116 -17.117 17.851 1.00 74.33 H new ATOM 0 HD12 LEU A 81 22.584 -18.305 19.092 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.506 -16.793 18.914 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.482 -16.799 15.835 1.00 62.13 H new ATOM 0 HD22 LEU A 81 24.917 -16.442 16.825 1.00 62.13 H new ATOM 0 HD23 LEU A 81 24.980 -17.728 15.596 1.00 62.13 H new ATOM 1313 N LEU A 82 28.276 -19.824 17.822 1.00 41.20 N ATOM 1314 CA LEU A 82 29.425 -20.459 18.470 1.00 33.24 C ATOM 1315 C LEU A 82 29.289 -20.388 19.986 1.00 52.35 C ATOM 1316 O LEU A 82 28.341 -19.796 20.511 1.00 61.23 O ATOM 1317 CB LEU A 82 30.754 -19.796 18.025 1.00 34.41 C ATOM 1318 CG LEU A 82 31.126 -20.180 16.569 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.700 -21.598 16.522 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.906 -20.088 15.644 1.00 74.54 C ATOM 0 H LEU A 82 28.493 -18.937 17.368 1.00 41.20 H new ATOM 0 HA LEU A 82 29.444 -21.505 18.164 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.665 -18.713 18.104 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.556 -20.100 18.698 1.00 34.41 H new ATOM 0 HG LEU A 82 31.880 -19.474 16.221 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.956 -21.853 15.494 1.00 4.22 H new ATOM 0 HD12 LEU A 82 32.595 -21.649 17.142 1.00 4.22 H new ATOM 0 HD13 LEU A 82 30.958 -22.303 16.897 1.00 4.22 H new ATOM 0 HD21 LEU A 82 30.197 -20.363 14.630 1.00 74.54 H new ATOM 0 HD22 LEU A 82 29.130 -20.768 15.996 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.523 -19.068 15.648 1.00 74.54 H new