USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 983 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 95 SER OG : rot 41:sc= 1.24 USER MOD Set 1.2: A 109 HIS : no HE2:sc= -1.44 K(o=-0.2,f=-2.9!) USER MOD Set 2.1: A 54 ASN : amide:sc= 0.988 K(o=-8.8,f=-16!) USER MOD Set 2.2: A 85 MET CE :methyl -178:sc= -7.79! (180deg=-8!) USER MOD Set 2.3: A 112 MET CE :methyl 159:sc= -1.96! (180deg=-1.26) USER MOD Set 3.1: A 39 THR OG1 : rot 39:sc= 1.16 USER MOD Set 3.2: A 43 GLN :FLIP amide:sc= 1.32! F(o=1.7,f=2.5!) USER MOD Set 4.1: A 9 GLN : amide:sc= -0.55! K(o=0.64!,f=-6.3) USER MOD Set 4.2: A 11 LYS NZ :NH3+ -173:sc= 1.19 (180deg=-0.0435) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 48:sc= 1.26 USER MOD Single : A 21 TYR OH : rot -83:sc= 0.545 USER MOD Single : A 26 CYS SG : rot -76:sc= -1.25 USER MOD Single : A 29 ASN : amide:sc= 0.226 K(o=0.23,f=-4.4!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 57 SER OG : rot 168:sc= 1.83 USER MOD Single : A 58 ASN : amide:sc= -0.257 K(o=-0.26,f=-5.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -2.07! C(o=-3.3!,f=-2.1!) USER MOD Single : A 74 THR OG1 : rot 53:sc= 0.937 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.395 K(o=0.4,f=-3.2!) USER MOD Single : A 100 SER OG : rot 7:sc= 1.25 USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= -2.66! (180deg=-5.36!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.0976 F(o=-2.2!,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -14.121 -1.826 5.198 1.00 74.41 N ATOM 51 CA ILE A 4 -13.920 -3.287 5.034 1.00 21.11 C ATOM 52 C ILE A 4 -13.468 -3.687 3.632 1.00 72.11 C ATOM 53 O ILE A 4 -12.987 -4.802 3.421 1.00 25.12 O ATOM 54 CB ILE A 4 -15.140 -4.155 5.466 1.00 12.10 C ATOM 55 CG1 ILE A 4 -16.223 -4.211 4.381 1.00 52.14 C ATOM 56 CG2 ILE A 4 -15.722 -3.639 6.775 1.00 43.31 C ATOM 57 CD1 ILE A 4 -17.382 -5.120 4.729 1.00 63.20 C ATOM 0 HA ILE A 4 -13.107 -3.503 5.727 1.00 21.11 H new ATOM 0 HB ILE A 4 -14.778 -5.173 5.614 1.00 12.10 H new ATOM 0 HG12 ILE A 4 -16.602 -3.204 4.205 1.00 52.14 H new ATOM 0 HG13 ILE A 4 -15.773 -4.550 3.448 1.00 52.14 H new ATOM 0 HG21 ILE A 4 -16.573 -4.256 7.063 1.00 43.31 H new ATOM 0 HG22 ILE A 4 -14.961 -3.684 7.554 1.00 43.31 H new ATOM 0 HG23 ILE A 4 -16.049 -2.607 6.646 1.00 43.31 H new ATOM 0 HD11 ILE A 4 -18.109 -5.110 3.917 1.00 63.20 H new ATOM 0 HD12 ILE A 4 -17.016 -6.136 4.876 1.00 63.20 H new ATOM 0 HD13 ILE A 4 -17.857 -4.769 5.645 1.00 63.20 H new ATOM 69 N ASP A 5 -13.570 -2.746 2.725 1.00 14.51 N ATOM 70 CA ASP A 5 -13.263 -2.932 1.310 1.00 44.50 C ATOM 71 C ASP A 5 -13.730 -1.686 0.568 1.00 33.12 C ATOM 72 O ASP A 5 -13.040 -0.664 0.570 1.00 54.13 O ATOM 73 CB ASP A 5 -13.957 -4.196 0.762 1.00 52.04 C ATOM 74 CG ASP A 5 -13.688 -4.463 -0.710 1.00 33.14 C ATOM 75 OD1 ASP A 5 -12.651 -5.074 -1.029 1.00 21.04 O ATOM 76 OD2 ASP A 5 -14.546 -4.097 -1.546 1.00 72.33 O ATOM 0 H ASP A 5 -13.877 -1.799 2.948 1.00 14.51 H new ATOM 0 HA ASP A 5 -12.191 -3.072 1.169 1.00 44.50 H new ATOM 0 HB2 ASP A 5 -13.629 -5.058 1.342 1.00 52.04 H new ATOM 0 HB3 ASP A 5 -15.032 -4.101 0.912 1.00 52.04 H new ATOM 81 N ASP A 6 -14.927 -1.768 -0.010 1.00 22.53 N ATOM 82 CA ASP A 6 -15.632 -0.611 -0.562 1.00 60.53 C ATOM 83 C ASP A 6 -14.794 0.128 -1.612 1.00 34.43 C ATOM 84 O ASP A 6 -13.846 -0.420 -2.172 1.00 25.44 O ATOM 85 CB ASP A 6 -16.023 0.338 0.574 1.00 40.12 C ATOM 86 CG ASP A 6 -17.278 1.120 0.257 1.00 75.13 C ATOM 87 OD1 ASP A 6 -18.377 0.611 0.552 1.00 20.31 O ATOM 88 OD2 ASP A 6 -17.170 2.229 -0.293 1.00 5.12 O ATOM 0 H ASP A 6 -15.439 -2.645 -0.109 1.00 22.53 H new ATOM 0 HA ASP A 6 -16.529 -0.972 -1.066 1.00 60.53 H new ATOM 0 HB2 ASP A 6 -16.175 -0.235 1.488 1.00 40.12 H new ATOM 0 HB3 ASP A 6 -15.203 1.031 0.765 1.00 40.12 H new ATOM 93 N TYR A 7 -15.173 1.368 -1.895 1.00 15.11 N ATOM 94 CA TYR A 7 -14.454 2.192 -2.854 1.00 31.00 C ATOM 95 C TYR A 7 -14.719 3.682 -2.611 1.00 0.15 C ATOM 96 O TYR A 7 -15.220 4.390 -3.485 1.00 31.21 O ATOM 97 CB TYR A 7 -14.824 1.799 -4.296 1.00 12.51 C ATOM 98 CG TYR A 7 -16.316 1.643 -4.540 1.00 5.42 C ATOM 99 CD1 TYR A 7 -16.947 0.416 -4.354 1.00 12.02 C ATOM 100 CD2 TYR A 7 -17.092 2.718 -4.958 1.00 32.54 C ATOM 101 CE1 TYR A 7 -18.302 0.270 -4.576 1.00 25.12 C ATOM 102 CE2 TYR A 7 -18.447 2.578 -5.182 1.00 54.24 C ATOM 103 CZ TYR A 7 -19.046 1.353 -4.988 1.00 63.52 C ATOM 104 OH TYR A 7 -20.396 1.212 -5.216 1.00 44.54 O ATOM 0 H TYR A 7 -15.979 1.826 -1.470 1.00 15.11 H new ATOM 0 HA TYR A 7 -13.387 2.015 -2.715 1.00 31.00 H new ATOM 0 HB2 TYR A 7 -14.434 2.555 -4.977 1.00 12.51 H new ATOM 0 HB3 TYR A 7 -14.328 0.861 -4.543 1.00 12.51 H new ATOM 0 HD1 TYR A 7 -16.367 -0.436 -4.031 1.00 12.02 H new ATOM 0 HD2 TYR A 7 -16.626 3.680 -5.110 1.00 32.54 H new ATOM 0 HE1 TYR A 7 -18.776 -0.689 -4.427 1.00 25.12 H new ATOM 0 HE2 TYR A 7 -19.034 3.424 -5.507 1.00 54.24 H new ATOM 0 HH TYR A 7 -20.771 2.072 -5.500 1.00 44.54 H new ATOM 114 N PRO A 8 -14.376 4.195 -1.415 1.00 21.21 N ATOM 115 CA PRO A 8 -14.560 5.607 -1.092 1.00 61.34 C ATOM 116 C PRO A 8 -13.370 6.444 -1.548 1.00 54.12 C ATOM 117 O PRO A 8 -13.267 7.633 -1.243 1.00 62.31 O ATOM 118 CB PRO A 8 -14.671 5.599 0.431 1.00 73.54 C ATOM 119 CG PRO A 8 -13.807 4.464 0.870 1.00 41.44 C ATOM 120 CD PRO A 8 -13.783 3.454 -0.287 1.00 41.32 C ATOM 0 HA PRO A 8 -15.426 6.047 -1.587 1.00 61.34 H new ATOM 0 HB2 PRO A 8 -14.331 6.543 0.857 1.00 73.54 H new ATOM 0 HB3 PRO A 8 -15.703 5.458 0.752 1.00 73.54 H new ATOM 0 HG2 PRO A 8 -12.800 4.811 1.101 1.00 41.44 H new ATOM 0 HG3 PRO A 8 -14.202 4.005 1.776 1.00 41.44 H new ATOM 0 HD2 PRO A 8 -12.767 3.128 -0.512 1.00 41.32 H new ATOM 0 HD3 PRO A 8 -14.359 2.560 -0.049 1.00 41.32 H new ATOM 128 N GLN A 9 -12.475 5.803 -2.287 1.00 24.14 N ATOM 129 CA GLN A 9 -11.266 6.445 -2.768 1.00 55.14 C ATOM 130 C GLN A 9 -11.037 6.141 -4.240 1.00 23.31 C ATOM 131 O GLN A 9 -10.956 4.982 -4.640 1.00 62.40 O ATOM 132 CB GLN A 9 -10.061 5.989 -1.947 1.00 33.53 C ATOM 133 CG GLN A 9 -9.600 7.015 -0.934 1.00 42.21 C ATOM 134 CD GLN A 9 -9.071 8.272 -1.595 1.00 42.12 C ATOM 135 OE1 GLN A 9 -9.812 9.218 -1.850 1.00 22.35 O ATOM 136 NE2 GLN A 9 -7.787 8.276 -1.903 1.00 34.00 N ATOM 0 H GLN A 9 -12.569 4.827 -2.568 1.00 24.14 H new ATOM 0 HA GLN A 9 -11.387 7.522 -2.654 1.00 55.14 H new ATOM 0 HB2 GLN A 9 -10.314 5.065 -1.428 1.00 33.53 H new ATOM 0 HB3 GLN A 9 -9.236 5.760 -2.622 1.00 33.53 H new ATOM 0 HG2 GLN A 9 -10.430 7.274 -0.277 1.00 42.21 H new ATOM 0 HG3 GLN A 9 -8.821 6.580 -0.307 1.00 42.21 H new ATOM 0 HE21 GLN A 9 -7.205 7.470 -1.674 1.00 34.00 H new ATOM 0 HE22 GLN A 9 -7.377 9.085 -2.370 1.00 34.00 H new ATOM 145 N ALA A 10 -10.938 7.195 -5.033 1.00 41.45 N ATOM 146 CA ALA A 10 -10.669 7.081 -6.452 1.00 74.42 C ATOM 147 C ALA A 10 -10.073 8.385 -6.942 1.00 35.35 C ATOM 148 O ALA A 10 -10.791 9.299 -7.347 1.00 51.15 O ATOM 149 CB ALA A 10 -11.935 6.740 -7.223 1.00 45.54 C ATOM 0 H ALA A 10 -11.043 8.156 -4.707 1.00 41.45 H new ATOM 0 HA ALA A 10 -9.961 6.270 -6.621 1.00 74.42 H new ATOM 0 HB1 ALA A 10 -11.704 6.661 -8.285 1.00 45.54 H new ATOM 0 HB2 ALA A 10 -12.334 5.790 -6.866 1.00 45.54 H new ATOM 0 HB3 ALA A 10 -12.676 7.525 -7.071 1.00 45.54 H new ATOM 155 N LYS A 11 -8.761 8.481 -6.845 1.00 54.43 N ATOM 156 CA LYS A 11 -8.056 9.706 -7.174 1.00 11.51 C ATOM 157 C LYS A 11 -6.932 9.415 -8.152 1.00 54.23 C ATOM 158 O LYS A 11 -6.698 8.264 -8.512 1.00 71.34 O ATOM 159 CB LYS A 11 -7.466 10.345 -5.910 1.00 55.33 C ATOM 160 CG LYS A 11 -8.475 10.671 -4.818 1.00 0.51 C ATOM 161 CD LYS A 11 -9.490 11.704 -5.275 1.00 73.32 C ATOM 162 CE LYS A 11 -10.260 12.301 -4.103 1.00 5.42 C ATOM 163 NZ LYS A 11 -10.943 11.268 -3.277 1.00 10.24 N ATOM 0 H LYS A 11 -8.157 7.718 -6.538 1.00 54.43 H new ATOM 0 HA LYS A 11 -8.768 10.396 -7.627 1.00 11.51 H new ATOM 0 HB2 LYS A 11 -6.714 9.672 -5.499 1.00 55.33 H new ATOM 0 HB3 LYS A 11 -6.951 11.263 -6.193 1.00 55.33 H new ATOM 0 HG2 LYS A 11 -8.994 9.760 -4.519 1.00 0.51 H new ATOM 0 HG3 LYS A 11 -7.950 11.042 -3.938 1.00 0.51 H new ATOM 0 HD2 LYS A 11 -8.979 12.500 -5.817 1.00 73.32 H new ATOM 0 HD3 LYS A 11 -10.190 11.242 -5.972 1.00 73.32 H new ATOM 0 HE2 LYS A 11 -9.574 12.868 -3.474 1.00 5.42 H new ATOM 0 HE3 LYS A 11 -11.001 13.005 -4.482 1.00 5.42 H new ATOM 0 HZ1 LYS A 11 -11.546 11.733 -2.568 1.00 10.24 H new ATOM 0 HZ2 LYS A 11 -11.530 10.666 -3.889 1.00 10.24 H new ATOM 0 HZ3 LYS A 11 -10.231 10.682 -2.796 1.00 10.24 H new ATOM 177 N ARG A 12 -6.250 10.468 -8.566 1.00 45.41 N ATOM 178 CA ARG A 12 -5.043 10.350 -9.382 1.00 52.53 C ATOM 179 C ARG A 12 -4.315 11.687 -9.446 1.00 2.21 C ATOM 180 O ARG A 12 -3.125 11.766 -9.166 1.00 44.13 O ATOM 181 CB ARG A 12 -5.343 9.830 -10.798 1.00 25.12 C ATOM 182 CG ARG A 12 -6.526 10.493 -11.483 1.00 64.03 C ATOM 183 CD ARG A 12 -6.616 10.089 -12.946 1.00 22.14 C ATOM 184 NE ARG A 12 -6.510 8.642 -13.130 1.00 43.02 N ATOM 185 CZ ARG A 12 -7.400 7.902 -13.790 1.00 24.53 C ATOM 186 NH1 ARG A 12 -8.480 8.462 -14.326 1.00 54.24 N ATOM 187 NH2 ARG A 12 -7.203 6.598 -13.913 1.00 45.32 N ATOM 0 H ARG A 12 -6.512 11.430 -8.349 1.00 45.41 H new ATOM 0 HA ARG A 12 -4.398 9.614 -8.902 1.00 52.53 H new ATOM 0 HB2 ARG A 12 -4.457 9.971 -11.417 1.00 25.12 H new ATOM 0 HB3 ARG A 12 -5.527 8.757 -10.744 1.00 25.12 H new ATOM 0 HG2 ARG A 12 -7.447 10.217 -10.970 1.00 64.03 H new ATOM 0 HG3 ARG A 12 -6.432 11.576 -11.408 1.00 64.03 H new ATOM 0 HD2 ARG A 12 -7.563 10.437 -13.359 1.00 22.14 H new ATOM 0 HD3 ARG A 12 -5.823 10.583 -13.507 1.00 22.14 H new ATOM 0 HE ARG A 12 -5.702 8.168 -12.727 1.00 43.02 H new ATOM 0 HH11 ARG A 12 -8.633 9.466 -14.234 1.00 54.24 H new ATOM 0 HH12 ARG A 12 -9.156 7.887 -14.829 1.00 54.24 H new ATOM 0 HH21 ARG A 12 -6.374 6.167 -13.504 1.00 45.32 H new ATOM 0 HH22 ARG A 12 -7.880 6.025 -14.417 1.00 45.32 H new ATOM 201 N VAL A 13 -5.040 12.741 -9.798 1.00 70.12 N ATOM 202 CA VAL A 13 -4.461 14.077 -9.862 1.00 23.30 C ATOM 203 C VAL A 13 -4.298 14.697 -8.461 1.00 52.13 C ATOM 204 O VAL A 13 -3.239 15.238 -8.149 1.00 44.03 O ATOM 205 CB VAL A 13 -5.292 15.017 -10.762 1.00 60.10 C ATOM 206 CG1 VAL A 13 -4.653 16.392 -10.839 1.00 61.23 C ATOM 207 CG2 VAL A 13 -5.442 14.422 -12.155 1.00 40.33 C ATOM 0 H VAL A 13 -6.029 12.697 -10.043 1.00 70.12 H new ATOM 0 HA VAL A 13 -3.471 13.964 -10.304 1.00 23.30 H new ATOM 0 HB VAL A 13 -6.283 15.125 -10.321 1.00 60.10 H new ATOM 0 HG11 VAL A 13 -5.255 17.038 -11.478 1.00 61.23 H new ATOM 0 HG12 VAL A 13 -4.595 16.823 -9.839 1.00 61.23 H new ATOM 0 HG13 VAL A 13 -3.649 16.304 -11.255 1.00 61.23 H new ATOM 0 HG21 VAL A 13 -6.030 15.096 -12.777 1.00 40.33 H new ATOM 0 HG22 VAL A 13 -4.457 14.284 -12.600 1.00 40.33 H new ATOM 0 HG23 VAL A 13 -5.947 13.458 -12.087 1.00 40.33 H new ATOM 217 N PRO A 14 -5.327 14.637 -7.589 1.00 31.42 N ATOM 218 CA PRO A 14 -5.214 15.130 -6.209 1.00 44.14 C ATOM 219 C PRO A 14 -4.472 14.146 -5.301 1.00 74.35 C ATOM 220 O PRO A 14 -4.668 14.142 -4.087 1.00 42.55 O ATOM 221 CB PRO A 14 -6.674 15.285 -5.738 1.00 11.32 C ATOM 222 CG PRO A 14 -7.529 14.997 -6.927 1.00 31.52 C ATOM 223 CD PRO A 14 -6.680 14.144 -7.859 1.00 25.11 C ATOM 0 HA PRO A 14 -4.644 16.058 -6.166 1.00 44.14 H new ATOM 0 HB2 PRO A 14 -6.895 14.595 -4.923 1.00 11.32 H new ATOM 0 HB3 PRO A 14 -6.857 16.292 -5.362 1.00 11.32 H new ATOM 0 HG2 PRO A 14 -8.438 14.470 -6.636 1.00 31.52 H new ATOM 0 HG3 PRO A 14 -7.839 15.920 -7.417 1.00 31.52 H new ATOM 0 HD2 PRO A 14 -6.777 13.081 -7.638 1.00 25.11 H new ATOM 0 HD3 PRO A 14 -6.961 14.280 -8.903 1.00 25.11 H new ATOM 231 N GLY A 15 -3.609 13.333 -5.896 1.00 64.32 N ATOM 232 CA GLY A 15 -2.888 12.332 -5.141 1.00 23.41 C ATOM 233 C GLY A 15 -3.725 11.094 -4.909 1.00 72.03 C ATOM 234 O GLY A 15 -4.762 11.150 -4.244 1.00 2.41 O ATOM 0 H GLY A 15 -3.396 13.351 -6.893 1.00 64.32 H new ATOM 0 HA2 GLY A 15 -1.977 12.060 -5.674 1.00 23.41 H new ATOM 0 HA3 GLY A 15 -2.583 12.750 -4.182 1.00 23.41 H new ATOM 238 N LEU A 16 -3.297 9.973 -5.458 1.00 62.20 N ATOM 239 CA LEU A 16 -4.047 8.740 -5.317 1.00 72.25 C ATOM 240 C LEU A 16 -3.516 7.933 -4.146 1.00 62.35 C ATOM 241 O LEU A 16 -2.322 7.935 -3.868 1.00 64.32 O ATOM 242 CB LEU A 16 -3.988 7.922 -6.613 1.00 63.22 C ATOM 243 CG LEU A 16 -4.453 6.463 -6.504 1.00 25.13 C ATOM 244 CD1 LEU A 16 -5.876 6.374 -5.982 1.00 1.22 C ATOM 245 CD2 LEU A 16 -4.333 5.767 -7.849 1.00 73.25 C ATOM 0 H LEU A 16 -2.439 9.891 -6.003 1.00 62.20 H new ATOM 0 HA LEU A 16 -5.090 8.987 -5.120 1.00 72.25 H new ATOM 0 HB2 LEU A 16 -4.598 8.423 -7.365 1.00 63.22 H new ATOM 0 HB3 LEU A 16 -2.961 7.930 -6.979 1.00 63.22 H new ATOM 0 HG LEU A 16 -3.805 5.957 -5.789 1.00 25.13 H new ATOM 0 HD11 LEU A 16 -6.175 5.328 -5.917 1.00 1.22 H new ATOM 0 HD12 LEU A 16 -5.930 6.829 -4.993 1.00 1.22 H new ATOM 0 HD13 LEU A 16 -6.546 6.901 -6.661 1.00 1.22 H new ATOM 0 HD21 LEU A 16 -4.666 4.734 -7.755 1.00 73.25 H new ATOM 0 HD22 LEU A 16 -4.953 6.283 -8.582 1.00 73.25 H new ATOM 0 HD23 LEU A 16 -3.293 5.784 -8.176 1.00 73.25 H new ATOM 257 N VAL A 17 -4.411 7.269 -3.444 1.00 5.13 N ATOM 258 CA VAL A 17 -4.025 6.413 -2.348 1.00 53.42 C ATOM 259 C VAL A 17 -5.073 5.336 -2.107 1.00 51.43 C ATOM 260 O VAL A 17 -6.261 5.628 -1.942 1.00 21.22 O ATOM 261 CB VAL A 17 -3.756 7.216 -1.056 1.00 72.02 C ATOM 262 CG1 VAL A 17 -4.859 8.225 -0.777 1.00 64.22 C ATOM 263 CG2 VAL A 17 -3.586 6.277 0.122 1.00 45.41 C ATOM 0 H VAL A 17 -5.416 7.308 -3.617 1.00 5.13 H new ATOM 0 HA VAL A 17 -3.090 5.928 -2.629 1.00 53.42 H new ATOM 0 HB VAL A 17 -2.831 7.775 -1.202 1.00 72.02 H new ATOM 0 HG11 VAL A 17 -4.631 8.769 0.140 1.00 64.22 H new ATOM 0 HG12 VAL A 17 -4.928 8.927 -1.608 1.00 64.22 H new ATOM 0 HG13 VAL A 17 -5.809 7.703 -0.663 1.00 64.22 H new ATOM 0 HG21 VAL A 17 -3.397 6.857 1.025 1.00 45.41 H new ATOM 0 HG22 VAL A 17 -4.494 5.688 0.252 1.00 45.41 H new ATOM 0 HG23 VAL A 17 -2.744 5.610 -0.063 1.00 45.41 H new ATOM 273 N VAL A 18 -4.623 4.089 -2.126 1.00 13.10 N ATOM 274 CA VAL A 18 -5.486 2.954 -1.869 1.00 73.35 C ATOM 275 C VAL A 18 -5.284 2.481 -0.436 1.00 42.34 C ATOM 276 O VAL A 18 -4.171 2.130 -0.038 1.00 24.24 O ATOM 277 CB VAL A 18 -5.206 1.795 -2.846 1.00 14.10 C ATOM 278 CG1 VAL A 18 -6.152 0.631 -2.589 1.00 72.43 C ATOM 279 CG2 VAL A 18 -5.321 2.270 -4.288 1.00 62.52 C ATOM 0 H VAL A 18 -3.653 3.841 -2.320 1.00 13.10 H new ATOM 0 HA VAL A 18 -6.518 3.271 -2.017 1.00 73.35 H new ATOM 0 HB VAL A 18 -4.186 1.448 -2.678 1.00 14.10 H new ATOM 0 HG11 VAL A 18 -5.936 -0.175 -3.290 1.00 72.43 H new ATOM 0 HG12 VAL A 18 -6.017 0.271 -1.569 1.00 72.43 H new ATOM 0 HG13 VAL A 18 -7.182 0.962 -2.723 1.00 72.43 H new ATOM 0 HG21 VAL A 18 -5.120 1.438 -4.962 1.00 62.52 H new ATOM 0 HG22 VAL A 18 -6.328 2.647 -4.468 1.00 62.52 H new ATOM 0 HG23 VAL A 18 -4.598 3.065 -4.468 1.00 62.52 H new ATOM 289 N TYR A 19 -6.355 2.485 0.332 1.00 71.51 N ATOM 290 CA TYR A 19 -6.270 2.194 1.752 1.00 22.41 C ATOM 291 C TYR A 19 -6.515 0.714 2.028 1.00 61.11 C ATOM 292 O TYR A 19 -7.043 -0.011 1.184 1.00 35.44 O ATOM 293 CB TYR A 19 -7.262 3.065 2.541 1.00 12.44 C ATOM 294 CG TYR A 19 -8.717 2.636 2.448 1.00 71.14 C ATOM 295 CD1 TYR A 19 -9.394 2.598 1.232 1.00 3.21 C ATOM 296 CD2 TYR A 19 -9.415 2.264 3.593 1.00 0.31 C ATOM 297 CE1 TYR A 19 -10.716 2.204 1.162 1.00 33.40 C ATOM 298 CE2 TYR A 19 -10.739 1.868 3.528 1.00 73.14 C ATOM 299 CZ TYR A 19 -11.384 1.839 2.311 1.00 41.02 C ATOM 300 OH TYR A 19 -12.700 1.445 2.245 1.00 55.42 O ATOM 0 H TYR A 19 -7.297 2.687 -0.003 1.00 71.51 H new ATOM 0 HA TYR A 19 -5.259 2.432 2.084 1.00 22.41 H new ATOM 0 HB2 TYR A 19 -6.966 3.065 3.590 1.00 12.44 H new ATOM 0 HB3 TYR A 19 -7.180 4.093 2.187 1.00 12.44 H new ATOM 0 HD1 TYR A 19 -8.876 2.882 0.328 1.00 3.21 H new ATOM 0 HD2 TYR A 19 -8.914 2.285 4.550 1.00 0.31 H new ATOM 0 HE1 TYR A 19 -11.225 2.182 0.210 1.00 33.40 H new ATOM 0 HE2 TYR A 19 -11.265 1.583 4.427 1.00 73.14 H new ATOM 0 HH TYR A 19 -12.808 0.784 1.529 1.00 55.42 H new ATOM 310 N ARG A 20 -6.095 0.282 3.211 1.00 0.45 N ATOM 311 CA ARG A 20 -6.301 -1.087 3.686 1.00 10.43 C ATOM 312 C ARG A 20 -7.779 -1.466 3.762 1.00 65.51 C ATOM 313 O ARG A 20 -8.666 -0.635 3.573 1.00 4.31 O ATOM 314 CB ARG A 20 -5.664 -1.261 5.072 1.00 13.32 C ATOM 315 CG ARG A 20 -5.768 -0.029 5.968 1.00 3.44 C ATOM 316 CD ARG A 20 -7.202 0.456 6.151 1.00 32.21 C ATOM 317 NE ARG A 20 -7.934 -0.289 7.175 1.00 45.34 N ATOM 318 CZ ARG A 20 -9.267 -0.364 7.228 1.00 62.32 C ATOM 319 NH1 ARG A 20 -10.007 0.109 6.234 1.00 61.21 N ATOM 320 NH2 ARG A 20 -9.861 -0.933 8.265 1.00 40.21 N ATOM 0 H ARG A 20 -5.597 0.875 3.876 1.00 0.45 H new ATOM 0 HA ARG A 20 -5.826 -1.749 2.962 1.00 10.43 H new ATOM 0 HB2 ARG A 20 -6.139 -2.103 5.575 1.00 13.32 H new ATOM 0 HB3 ARG A 20 -4.612 -1.517 4.946 1.00 13.32 H new ATOM 0 HG2 ARG A 20 -5.341 -0.259 6.944 1.00 3.44 H new ATOM 0 HG3 ARG A 20 -5.170 0.776 5.540 1.00 3.44 H new ATOM 0 HD2 ARG A 20 -7.190 1.513 6.418 1.00 32.21 H new ATOM 0 HD3 ARG A 20 -7.731 0.373 5.202 1.00 32.21 H new ATOM 0 HE ARG A 20 -7.396 -0.779 7.890 1.00 45.34 H new ATOM 0 HH11 ARG A 20 -9.559 0.534 5.422 1.00 61.21 H new ATOM 0 HH12 ARG A 20 -11.024 0.048 6.282 1.00 61.21 H new ATOM 0 HH21 ARG A 20 -9.301 -1.316 9.027 1.00 40.21 H new ATOM 0 HH22 ARG A 20 -10.879 -0.989 8.302 1.00 40.21 H new ATOM 334 N TYR A 21 -8.026 -2.722 4.081 1.00 63.50 N ATOM 335 CA TYR A 21 -9.377 -3.223 4.232 1.00 44.12 C ATOM 336 C TYR A 21 -9.643 -3.514 5.704 1.00 53.15 C ATOM 337 O TYR A 21 -8.721 -3.477 6.520 1.00 11.11 O ATOM 338 CB TYR A 21 -9.565 -4.487 3.387 1.00 53.22 C ATOM 339 CG TYR A 21 -9.004 -4.352 1.988 1.00 41.00 C ATOM 340 CD1 TYR A 21 -9.772 -3.840 0.952 1.00 31.24 C ATOM 341 CD2 TYR A 21 -7.693 -4.722 1.711 1.00 74.43 C ATOM 342 CE1 TYR A 21 -9.250 -3.700 -0.320 1.00 4.31 C ATOM 343 CE2 TYR A 21 -7.166 -4.588 0.444 1.00 31.53 C ATOM 344 CZ TYR A 21 -7.946 -4.077 -0.568 1.00 23.22 C ATOM 345 OH TYR A 21 -7.415 -3.931 -1.832 1.00 53.32 O ATOM 0 H TYR A 21 -7.300 -3.420 4.242 1.00 63.50 H new ATOM 0 HA TYR A 21 -10.088 -2.473 3.885 1.00 44.12 H new ATOM 0 HB2 TYR A 21 -9.082 -5.327 3.887 1.00 53.22 H new ATOM 0 HB3 TYR A 21 -10.628 -4.721 3.325 1.00 53.22 H new ATOM 0 HD1 TYR A 21 -10.794 -3.546 1.143 1.00 31.24 H new ATOM 0 HD2 TYR A 21 -7.076 -5.122 2.502 1.00 74.43 H new ATOM 0 HE1 TYR A 21 -9.859 -3.298 -1.116 1.00 4.31 H new ATOM 0 HE2 TYR A 21 -6.146 -4.883 0.247 1.00 31.53 H new ATOM 0 HH TYR A 21 -7.665 -4.702 -2.383 1.00 53.32 H new ATOM 355 N ASP A 22 -10.888 -3.802 6.045 1.00 31.22 N ATOM 356 CA ASP A 22 -11.254 -4.083 7.433 1.00 34.12 C ATOM 357 C ASP A 22 -11.780 -5.510 7.530 1.00 1.04 C ATOM 358 O ASP A 22 -12.642 -5.837 8.346 1.00 64.20 O ATOM 359 CB ASP A 22 -12.304 -3.076 7.924 1.00 42.11 C ATOM 360 CG ASP A 22 -12.459 -3.056 9.435 1.00 0.03 C ATOM 361 OD1 ASP A 22 -11.538 -2.566 10.125 1.00 44.24 O ATOM 362 OD2 ASP A 22 -13.511 -3.505 9.938 1.00 20.14 O ATOM 0 H ASP A 22 -11.664 -3.849 5.385 1.00 31.22 H new ATOM 0 HA ASP A 22 -10.376 -3.983 8.071 1.00 34.12 H new ATOM 0 HB2 ASP A 22 -12.029 -2.079 7.581 1.00 42.11 H new ATOM 0 HB3 ASP A 22 -13.266 -3.315 7.470 1.00 42.11 H new ATOM 367 N ALA A 23 -11.212 -6.370 6.699 1.00 53.42 N ATOM 368 CA ALA A 23 -11.651 -7.746 6.597 1.00 40.23 C ATOM 369 C ALA A 23 -10.519 -8.622 6.089 1.00 1.32 C ATOM 370 O ALA A 23 -9.837 -8.260 5.137 1.00 1.04 O ATOM 371 CB ALA A 23 -12.843 -7.852 5.663 1.00 43.44 C ATOM 0 H ALA A 23 -10.437 -6.132 6.080 1.00 53.42 H new ATOM 0 HA ALA A 23 -11.948 -8.088 7.588 1.00 40.23 H new ATOM 0 HB1 ALA A 23 -13.162 -8.892 5.596 1.00 43.44 H new ATOM 0 HB2 ALA A 23 -13.662 -7.245 6.049 1.00 43.44 H new ATOM 0 HB3 ALA A 23 -12.562 -7.495 4.672 1.00 43.44 H new ATOM 377 N PRO A 24 -10.289 -9.766 6.743 1.00 73.14 N ATOM 378 CA PRO A 24 -9.247 -10.723 6.344 1.00 4.11 C ATOM 379 C PRO A 24 -9.458 -11.308 4.954 1.00 41.43 C ATOM 380 O PRO A 24 -10.404 -12.062 4.722 1.00 72.20 O ATOM 381 CB PRO A 24 -9.351 -11.835 7.396 1.00 55.40 C ATOM 382 CG PRO A 24 -9.978 -11.172 8.563 1.00 4.14 C ATOM 383 CD PRO A 24 -10.992 -10.211 7.954 1.00 33.20 C ATOM 0 HA PRO A 24 -8.273 -10.236 6.297 1.00 4.11 H new ATOM 0 HB2 PRO A 24 -9.957 -12.667 7.038 1.00 55.40 H new ATOM 0 HB3 PRO A 24 -8.370 -12.239 7.647 1.00 55.40 H new ATOM 0 HG2 PRO A 24 -10.461 -11.896 9.219 1.00 4.14 H new ATOM 0 HG3 PRO A 24 -9.239 -10.642 9.163 1.00 4.14 H new ATOM 0 HD2 PRO A 24 -11.936 -10.705 7.722 1.00 33.20 H new ATOM 0 HD3 PRO A 24 -11.222 -9.381 8.622 1.00 33.20 H new ATOM 391 N LEU A 25 -8.586 -10.938 4.027 1.00 74.10 N ATOM 392 CA LEU A 25 -8.519 -11.623 2.752 1.00 51.12 C ATOM 393 C LEU A 25 -7.176 -12.321 2.610 1.00 33.53 C ATOM 394 O LEU A 25 -6.928 -13.030 1.630 1.00 73.21 O ATOM 395 CB LEU A 25 -8.827 -10.711 1.527 1.00 5.04 C ATOM 396 CG LEU A 25 -8.095 -9.349 1.381 1.00 73.30 C ATOM 397 CD1 LEU A 25 -8.621 -8.323 2.367 1.00 53.20 C ATOM 398 CD2 LEU A 25 -6.584 -9.483 1.509 1.00 10.31 C ATOM 0 H LEU A 25 -7.921 -10.172 4.136 1.00 74.10 H new ATOM 0 HA LEU A 25 -9.315 -12.368 2.752 1.00 51.12 H new ATOM 0 HB2 LEU A 25 -8.619 -11.291 0.628 1.00 5.04 H new ATOM 0 HB3 LEU A 25 -9.898 -10.507 1.534 1.00 5.04 H new ATOM 0 HG LEU A 25 -8.308 -8.997 0.372 1.00 73.30 H new ATOM 0 HD11 LEU A 25 -8.085 -7.383 2.235 1.00 53.20 H new ATOM 0 HD12 LEU A 25 -9.685 -8.162 2.192 1.00 53.20 H new ATOM 0 HD13 LEU A 25 -8.472 -8.686 3.384 1.00 53.20 H new ATOM 0 HD21 LEU A 25 -6.121 -8.502 1.399 1.00 10.31 H new ATOM 0 HD22 LEU A 25 -6.337 -9.893 2.488 1.00 10.31 H new ATOM 0 HD23 LEU A 25 -6.211 -10.149 0.731 1.00 10.31 H new ATOM 410 N CYS A 26 -6.313 -12.112 3.607 1.00 62.32 N ATOM 411 CA CYS A 26 -5.029 -12.803 3.676 1.00 31.31 C ATOM 412 C CYS A 26 -4.174 -12.428 2.465 1.00 64.01 C ATOM 413 O CYS A 26 -3.849 -11.259 2.282 1.00 63.21 O ATOM 414 CB CYS A 26 -5.253 -14.323 3.760 1.00 13.41 C ATOM 415 SG CYS A 26 -3.756 -15.297 4.049 1.00 3.42 S ATOM 0 H CYS A 26 -6.484 -11.467 4.379 1.00 62.32 H new ATOM 0 HA CYS A 26 -4.495 -12.495 4.575 1.00 31.31 H new ATOM 0 HB2 CYS A 26 -5.963 -14.528 4.562 1.00 13.41 H new ATOM 0 HB3 CYS A 26 -5.715 -14.660 2.832 1.00 13.41 H new ATOM 0 HG CYS A 26 -3.069 -15.373 2.948 1.00 3.42 H new ATOM 421 N PHE A 27 -3.809 -13.411 1.650 1.00 52.41 N ATOM 422 CA PHE A 27 -3.143 -13.140 0.382 1.00 12.15 C ATOM 423 C PHE A 27 -3.551 -14.176 -0.658 1.00 2.43 C ATOM 424 O PHE A 27 -2.939 -14.274 -1.721 1.00 75.12 O ATOM 425 CB PHE A 27 -1.616 -13.116 0.545 1.00 42.32 C ATOM 426 CG PHE A 27 -0.984 -14.451 0.822 1.00 21.10 C ATOM 427 CD1 PHE A 27 -1.073 -15.034 2.073 1.00 75.34 C ATOM 428 CD2 PHE A 27 -0.291 -15.121 -0.175 1.00 14.52 C ATOM 429 CE1 PHE A 27 -0.485 -16.257 2.327 1.00 31.12 C ATOM 430 CE2 PHE A 27 0.301 -16.343 0.073 1.00 32.41 C ATOM 431 CZ PHE A 27 0.203 -16.912 1.325 1.00 33.24 C ATOM 0 H PHE A 27 -3.963 -14.401 1.844 1.00 52.41 H new ATOM 0 HA PHE A 27 -3.456 -12.153 0.041 1.00 12.15 H new ATOM 0 HB2 PHE A 27 -1.176 -12.704 -0.363 1.00 42.32 H new ATOM 0 HB3 PHE A 27 -1.364 -12.436 1.359 1.00 42.32 H new ATOM 0 HD1 PHE A 27 -1.609 -14.526 2.861 1.00 75.34 H new ATOM 0 HD2 PHE A 27 -0.213 -14.681 -1.158 1.00 14.52 H new ATOM 0 HE1 PHE A 27 -0.563 -16.701 3.308 1.00 31.12 H new ATOM 0 HE2 PHE A 27 0.840 -16.852 -0.712 1.00 32.41 H new ATOM 0 HZ PHE A 27 0.664 -17.869 1.522 1.00 33.24 H new ATOM 441 N ALA A 28 -4.628 -14.898 -0.357 1.00 4.54 N ATOM 442 CA ALA A 28 -5.086 -16.023 -1.176 1.00 44.12 C ATOM 443 C ALA A 28 -5.146 -15.674 -2.658 1.00 52.24 C ATOM 444 O ALA A 28 -4.489 -16.305 -3.488 1.00 42.21 O ATOM 445 CB ALA A 28 -6.449 -16.491 -0.696 1.00 11.24 C ATOM 0 H ALA A 28 -5.210 -14.721 0.462 1.00 4.54 H new ATOM 0 HA ALA A 28 -4.358 -16.826 -1.062 1.00 44.12 H new ATOM 0 HB1 ALA A 28 -6.783 -17.328 -1.310 1.00 11.24 H new ATOM 0 HB2 ALA A 28 -6.379 -16.809 0.344 1.00 11.24 H new ATOM 0 HB3 ALA A 28 -7.164 -15.673 -0.778 1.00 11.24 H new ATOM 451 N ASN A 29 -5.929 -14.668 -2.986 1.00 44.43 N ATOM 452 CA ASN A 29 -6.050 -14.221 -4.362 1.00 42.11 C ATOM 453 C ASN A 29 -5.448 -12.834 -4.513 1.00 14.34 C ATOM 454 O ASN A 29 -5.589 -12.201 -5.556 1.00 44.14 O ATOM 455 CB ASN A 29 -7.521 -14.198 -4.792 1.00 24.11 C ATOM 456 CG ASN A 29 -8.353 -13.175 -4.032 1.00 21.20 C ATOM 457 OD1 ASN A 29 -8.082 -12.872 -2.868 1.00 13.24 O ATOM 458 ND2 ASN A 29 -9.374 -12.638 -4.683 1.00 73.41 N ATOM 0 H ASN A 29 -6.493 -14.142 -2.319 1.00 44.43 H new ATOM 0 HA ASN A 29 -5.509 -14.919 -5.001 1.00 42.11 H new ATOM 0 HB2 ASN A 29 -7.577 -13.982 -5.859 1.00 24.11 H new ATOM 0 HB3 ASN A 29 -7.951 -15.188 -4.644 1.00 24.11 H new ATOM 0 HD21 ASN A 29 -9.967 -11.948 -4.221 1.00 73.41 H new ATOM 0 HD22 ASN A 29 -9.567 -12.914 -5.646 1.00 73.41 H new ATOM 465 N ALA A 30 -4.731 -12.399 -3.479 1.00 64.44 N ATOM 466 CA ALA A 30 -4.263 -11.018 -3.376 1.00 25.40 C ATOM 467 C ALA A 30 -3.340 -10.633 -4.525 1.00 44.42 C ATOM 468 O ALA A 30 -3.225 -9.458 -4.854 1.00 74.15 O ATOM 469 CB ALA A 30 -3.570 -10.785 -2.045 1.00 64.42 C ATOM 0 H ALA A 30 -4.459 -12.990 -2.693 1.00 64.44 H new ATOM 0 HA ALA A 30 -5.144 -10.379 -3.437 1.00 25.40 H new ATOM 0 HB1 ALA A 30 -3.229 -9.751 -1.988 1.00 64.42 H new ATOM 0 HB2 ALA A 30 -4.268 -10.982 -1.232 1.00 64.42 H new ATOM 0 HB3 ALA A 30 -2.714 -11.454 -1.958 1.00 64.42 H new ATOM 475 N GLU A 31 -2.678 -11.613 -5.121 1.00 3.44 N ATOM 476 CA GLU A 31 -1.816 -11.357 -6.269 1.00 71.54 C ATOM 477 C GLU A 31 -2.624 -10.761 -7.421 1.00 23.34 C ATOM 478 O GLU A 31 -2.458 -9.588 -7.777 1.00 50.45 O ATOM 479 CB GLU A 31 -1.133 -12.646 -6.727 1.00 1.03 C ATOM 480 CG GLU A 31 -0.277 -12.471 -7.973 1.00 43.33 C ATOM 481 CD GLU A 31 0.318 -13.774 -8.466 1.00 40.04 C ATOM 482 OE1 GLU A 31 -0.391 -14.532 -9.160 1.00 0.31 O ATOM 483 OE2 GLU A 31 1.494 -14.045 -8.162 1.00 72.05 O ATOM 0 H GLU A 31 -2.720 -12.590 -4.831 1.00 3.44 H new ATOM 0 HA GLU A 31 -1.051 -10.642 -5.966 1.00 71.54 H new ATOM 0 HB2 GLU A 31 -0.509 -13.024 -5.917 1.00 1.03 H new ATOM 0 HB3 GLU A 31 -1.894 -13.401 -6.922 1.00 1.03 H new ATOM 0 HG2 GLU A 31 -0.883 -12.031 -8.765 1.00 43.33 H new ATOM 0 HG3 GLU A 31 0.528 -11.768 -7.759 1.00 43.33 H new ATOM 490 N ASP A 32 -3.520 -11.567 -7.979 1.00 42.20 N ATOM 491 CA ASP A 32 -4.334 -11.131 -9.104 1.00 74.31 C ATOM 492 C ASP A 32 -5.332 -10.072 -8.666 1.00 14.24 C ATOM 493 O ASP A 32 -5.618 -9.143 -9.409 1.00 34.42 O ATOM 494 CB ASP A 32 -5.067 -12.308 -9.748 1.00 40.24 C ATOM 495 CG ASP A 32 -5.871 -11.875 -10.961 1.00 70.01 C ATOM 496 OD1 ASP A 32 -5.253 -11.519 -11.987 1.00 35.24 O ATOM 497 OD2 ASP A 32 -7.118 -11.884 -10.894 1.00 54.32 O ATOM 0 H ASP A 32 -3.700 -12.523 -7.671 1.00 42.20 H new ATOM 0 HA ASP A 32 -3.664 -10.698 -9.847 1.00 74.31 H new ATOM 0 HB2 ASP A 32 -4.344 -13.069 -10.043 1.00 40.24 H new ATOM 0 HB3 ASP A 32 -5.732 -12.767 -9.016 1.00 40.24 H new ATOM 502 N PHE A 33 -5.837 -10.207 -7.449 1.00 25.43 N ATOM 503 CA PHE A 33 -6.781 -9.244 -6.898 1.00 51.54 C ATOM 504 C PHE A 33 -6.168 -7.844 -6.838 1.00 45.23 C ATOM 505 O PHE A 33 -6.778 -6.873 -7.297 1.00 52.25 O ATOM 506 CB PHE A 33 -7.240 -9.689 -5.503 1.00 52.14 C ATOM 507 CG PHE A 33 -7.865 -8.594 -4.694 1.00 43.24 C ATOM 508 CD1 PHE A 33 -9.025 -7.974 -5.123 1.00 5.34 C ATOM 509 CD2 PHE A 33 -7.281 -8.180 -3.510 1.00 2.13 C ATOM 510 CE1 PHE A 33 -9.591 -6.954 -4.389 1.00 62.13 C ATOM 511 CE2 PHE A 33 -7.846 -7.161 -2.768 1.00 14.42 C ATOM 512 CZ PHE A 33 -9.001 -6.549 -3.211 1.00 61.23 C ATOM 0 H PHE A 33 -5.608 -10.977 -6.821 1.00 25.43 H new ATOM 0 HA PHE A 33 -7.648 -9.203 -7.557 1.00 51.54 H new ATOM 0 HB2 PHE A 33 -7.956 -10.504 -5.609 1.00 52.14 H new ATOM 0 HB3 PHE A 33 -6.383 -10.087 -4.959 1.00 52.14 H new ATOM 0 HD1 PHE A 33 -9.492 -8.293 -6.043 1.00 5.34 H new ATOM 0 HD2 PHE A 33 -6.376 -8.657 -3.163 1.00 2.13 H new ATOM 0 HE1 PHE A 33 -10.494 -6.474 -4.736 1.00 62.13 H new ATOM 0 HE2 PHE A 33 -7.385 -6.844 -1.844 1.00 14.42 H new ATOM 0 HZ PHE A 33 -9.444 -5.751 -2.633 1.00 61.23 H new ATOM 522 N ARG A 34 -4.960 -7.744 -6.288 1.00 62.15 N ATOM 523 CA ARG A 34 -4.302 -6.455 -6.136 1.00 72.04 C ATOM 524 C ARG A 34 -4.048 -5.831 -7.498 1.00 4.54 C ATOM 525 O ARG A 34 -4.350 -4.657 -7.717 1.00 61.20 O ATOM 526 CB ARG A 34 -2.971 -6.596 -5.391 1.00 74.04 C ATOM 527 CG ARG A 34 -2.387 -5.270 -4.939 1.00 32.05 C ATOM 528 CD ARG A 34 -3.045 -4.780 -3.652 1.00 33.21 C ATOM 529 NE ARG A 34 -2.670 -5.597 -2.489 1.00 14.12 N ATOM 530 CZ ARG A 34 -3.214 -5.471 -1.269 1.00 63.24 C ATOM 531 NH1 ARG A 34 -4.214 -4.623 -1.066 1.00 25.02 N ATOM 532 NH2 ARG A 34 -2.761 -6.209 -0.255 1.00 41.25 N ATOM 0 H ARG A 34 -4.421 -8.538 -5.942 1.00 62.15 H new ATOM 0 HA ARG A 34 -4.963 -5.813 -5.554 1.00 72.04 H new ATOM 0 HB2 ARG A 34 -3.117 -7.235 -4.520 1.00 74.04 H new ATOM 0 HB3 ARG A 34 -2.253 -7.099 -6.039 1.00 74.04 H new ATOM 0 HG2 ARG A 34 -1.314 -5.378 -4.782 1.00 32.05 H new ATOM 0 HG3 ARG A 34 -2.521 -4.526 -5.724 1.00 32.05 H new ATOM 0 HD2 ARG A 34 -2.760 -3.743 -3.472 1.00 33.21 H new ATOM 0 HD3 ARG A 34 -4.128 -4.797 -3.771 1.00 33.21 H new ATOM 0 HE ARG A 34 -1.949 -6.307 -2.618 1.00 14.12 H new ATOM 0 HH11 ARG A 34 -4.573 -4.063 -1.839 1.00 25.02 H new ATOM 0 HH12 ARG A 34 -4.624 -4.531 -0.137 1.00 25.02 H new ATOM 0 HH21 ARG A 34 -2.000 -6.871 -0.406 1.00 41.25 H new ATOM 0 HH22 ARG A 34 -3.176 -6.112 0.672 1.00 41.25 H new ATOM 546 N ARG A 35 -3.502 -6.623 -8.417 1.00 44.21 N ATOM 547 CA ARG A 35 -3.187 -6.116 -9.740 1.00 30.41 C ATOM 548 C ARG A 35 -4.464 -5.805 -10.514 1.00 15.04 C ATOM 549 O ARG A 35 -4.536 -4.804 -11.192 1.00 11.33 O ATOM 550 CB ARG A 35 -2.299 -7.089 -10.533 1.00 61.43 C ATOM 551 CG ARG A 35 -2.979 -8.389 -10.924 1.00 43.22 C ATOM 552 CD ARG A 35 -2.132 -9.187 -11.900 1.00 75.21 C ATOM 553 NE ARG A 35 -2.777 -10.440 -12.285 1.00 63.44 N ATOM 554 CZ ARG A 35 -2.195 -11.389 -13.019 1.00 41.42 C ATOM 555 NH1 ARG A 35 -0.979 -11.205 -13.519 1.00 23.23 N ATOM 556 NH2 ARG A 35 -2.846 -12.513 -13.274 1.00 12.33 N ATOM 0 H ARG A 35 -3.273 -7.606 -8.269 1.00 44.21 H new ATOM 0 HA ARG A 35 -2.622 -5.193 -9.608 1.00 30.41 H new ATOM 0 HB2 ARG A 35 -1.952 -6.589 -11.437 1.00 61.43 H new ATOM 0 HB3 ARG A 35 -1.415 -7.321 -9.938 1.00 61.43 H new ATOM 0 HG2 ARG A 35 -3.167 -8.986 -10.031 1.00 43.22 H new ATOM 0 HG3 ARG A 35 -3.948 -8.173 -11.373 1.00 43.22 H new ATOM 0 HD2 ARG A 35 -1.943 -8.588 -12.791 1.00 75.21 H new ATOM 0 HD3 ARG A 35 -1.163 -9.401 -11.449 1.00 75.21 H new ATOM 0 HE ARG A 35 -3.735 -10.599 -11.972 1.00 63.44 H new ATOM 0 HH11 ARG A 35 -0.482 -10.332 -13.343 1.00 23.23 H new ATOM 0 HH12 ARG A 35 -0.542 -11.937 -14.079 1.00 23.23 H new ATOM 0 HH21 ARG A 35 -3.789 -12.650 -12.910 1.00 12.33 H new ATOM 0 HH22 ARG A 35 -2.405 -13.242 -13.835 1.00 12.33 H new ATOM 570 N ARG A 36 -5.480 -6.640 -10.387 1.00 71.33 N ATOM 571 CA ARG A 36 -6.709 -6.431 -11.138 1.00 53.02 C ATOM 572 C ARG A 36 -7.291 -5.055 -10.830 1.00 52.11 C ATOM 573 O ARG A 36 -7.391 -4.201 -11.710 1.00 62.43 O ATOM 574 CB ARG A 36 -7.739 -7.515 -10.814 1.00 63.02 C ATOM 575 CG ARG A 36 -8.365 -8.136 -12.051 1.00 5.22 C ATOM 576 CD ARG A 36 -7.342 -8.938 -12.838 1.00 32.12 C ATOM 577 NE ARG A 36 -7.827 -9.291 -14.170 1.00 51.54 N ATOM 578 CZ ARG A 36 -7.394 -10.339 -14.869 1.00 21.31 C ATOM 579 NH1 ARG A 36 -6.550 -11.209 -14.328 1.00 31.04 N ATOM 580 NH2 ARG A 36 -7.824 -10.521 -16.110 1.00 21.14 N ATOM 0 H ARG A 36 -5.482 -7.459 -9.780 1.00 71.33 H new ATOM 0 HA ARG A 36 -6.469 -6.488 -12.200 1.00 53.02 H new ATOM 0 HB2 ARG A 36 -7.260 -8.298 -10.225 1.00 63.02 H new ATOM 0 HB3 ARG A 36 -8.526 -7.086 -10.193 1.00 63.02 H new ATOM 0 HG2 ARG A 36 -9.192 -8.783 -11.758 1.00 5.22 H new ATOM 0 HG3 ARG A 36 -8.782 -7.352 -12.684 1.00 5.22 H new ATOM 0 HD2 ARG A 36 -6.422 -8.361 -12.929 1.00 32.12 H new ATOM 0 HD3 ARG A 36 -7.095 -9.847 -12.290 1.00 32.12 H new ATOM 0 HE ARG A 36 -8.542 -8.698 -14.591 1.00 51.54 H new ATOM 0 HH11 ARG A 36 -6.228 -11.078 -13.369 1.00 31.04 H new ATOM 0 HH12 ARG A 36 -6.224 -12.008 -14.871 1.00 31.04 H new ATOM 0 HH21 ARG A 36 -8.482 -9.861 -16.524 1.00 21.14 H new ATOM 0 HH22 ARG A 36 -7.497 -11.321 -16.651 1.00 21.14 H new ATOM 594 N ALA A 37 -7.600 -4.830 -9.564 1.00 13.44 N ATOM 595 CA ALA A 37 -8.314 -3.631 -9.155 1.00 73.12 C ATOM 596 C ALA A 37 -7.422 -2.395 -9.209 1.00 22.34 C ATOM 597 O ALA A 37 -7.727 -1.429 -9.910 1.00 40.23 O ATOM 598 CB ALA A 37 -8.887 -3.810 -7.757 1.00 34.25 C ATOM 0 H ALA A 37 -7.367 -5.464 -8.799 1.00 13.44 H new ATOM 0 HA ALA A 37 -9.132 -3.477 -9.859 1.00 73.12 H new ATOM 0 HB1 ALA A 37 -9.419 -2.905 -7.463 1.00 34.25 H new ATOM 0 HB2 ALA A 37 -9.577 -4.654 -7.752 1.00 34.25 H new ATOM 0 HB3 ALA A 37 -8.077 -3.999 -7.053 1.00 34.25 H new ATOM 604 N LEU A 38 -6.311 -2.434 -8.482 1.00 2.13 N ATOM 605 CA LEU A 38 -5.449 -1.265 -8.350 1.00 62.30 C ATOM 606 C LEU A 38 -4.785 -0.908 -9.673 1.00 23.45 C ATOM 607 O LEU A 38 -4.695 0.266 -10.030 1.00 1.04 O ATOM 608 CB LEU A 38 -4.383 -1.481 -7.267 1.00 42.43 C ATOM 609 CG LEU A 38 -4.872 -1.391 -5.813 1.00 44.53 C ATOM 610 CD1 LEU A 38 -5.770 -2.564 -5.453 1.00 54.33 C ATOM 611 CD2 LEU A 38 -3.687 -1.321 -4.865 1.00 2.55 C ATOM 0 H LEU A 38 -5.987 -3.259 -7.977 1.00 2.13 H new ATOM 0 HA LEU A 38 -6.084 -0.431 -8.051 1.00 62.30 H new ATOM 0 HB2 LEU A 38 -3.934 -2.462 -7.418 1.00 42.43 H new ATOM 0 HB3 LEU A 38 -3.593 -0.743 -7.410 1.00 42.43 H new ATOM 0 HG LEU A 38 -5.462 -0.480 -5.714 1.00 44.53 H new ATOM 0 HD11 LEU A 38 -6.097 -2.468 -4.418 1.00 54.33 H new ATOM 0 HD12 LEU A 38 -6.640 -2.571 -6.109 1.00 54.33 H new ATOM 0 HD13 LEU A 38 -5.217 -3.496 -5.574 1.00 54.33 H new ATOM 0 HD21 LEU A 38 -4.046 -1.257 -3.838 1.00 2.55 H new ATOM 0 HD22 LEU A 38 -3.075 -2.216 -4.981 1.00 2.55 H new ATOM 0 HD23 LEU A 38 -3.088 -0.440 -5.095 1.00 2.55 H new ATOM 623 N THR A 39 -4.331 -1.912 -10.409 1.00 13.12 N ATOM 624 CA THR A 39 -3.652 -1.661 -11.673 1.00 51.33 C ATOM 625 C THR A 39 -4.601 -1.060 -12.700 1.00 52.24 C ATOM 626 O THR A 39 -4.244 -0.092 -13.378 1.00 13.15 O ATOM 627 CB THR A 39 -2.996 -2.944 -12.233 1.00 22.42 C ATOM 628 OG1 THR A 39 -1.799 -3.257 -11.512 1.00 23.23 O ATOM 629 CG2 THR A 39 -2.687 -2.831 -13.707 1.00 10.51 C ATOM 0 H THR A 39 -4.418 -2.897 -10.158 1.00 13.12 H new ATOM 0 HA THR A 39 -2.861 -0.939 -11.472 1.00 51.33 H new ATOM 0 HB THR A 39 -3.719 -3.749 -12.104 1.00 22.42 H new ATOM 0 HG1 THR A 39 -1.935 -3.076 -10.558 1.00 23.23 H new ATOM 0 HG21 THR A 39 -2.227 -3.756 -14.054 1.00 10.51 H new ATOM 0 HG22 THR A 39 -3.610 -2.654 -14.260 1.00 10.51 H new ATOM 0 HG23 THR A 39 -2.000 -2.001 -13.872 1.00 10.51 H new ATOM 637 N VAL A 40 -5.818 -1.600 -12.792 1.00 30.52 N ATOM 638 CA VAL A 40 -6.730 -1.172 -13.838 1.00 31.33 C ATOM 639 C VAL A 40 -7.298 0.219 -13.564 1.00 10.31 C ATOM 640 O VAL A 40 -7.644 0.943 -14.500 1.00 74.32 O ATOM 641 CB VAL A 40 -7.879 -2.184 -14.053 1.00 55.54 C ATOM 642 CG1 VAL A 40 -8.986 -2.013 -13.017 1.00 41.11 C ATOM 643 CG2 VAL A 40 -8.435 -2.072 -15.468 1.00 13.24 C ATOM 0 H VAL A 40 -6.183 -2.318 -12.167 1.00 30.52 H new ATOM 0 HA VAL A 40 -6.143 -1.126 -14.755 1.00 31.33 H new ATOM 0 HB VAL A 40 -7.466 -3.184 -13.922 1.00 55.54 H new ATOM 0 HG11 VAL A 40 -9.774 -2.743 -13.203 1.00 41.11 H new ATOM 0 HG12 VAL A 40 -8.577 -2.167 -12.019 1.00 41.11 H new ATOM 0 HG13 VAL A 40 -9.399 -1.007 -13.088 1.00 41.11 H new ATOM 0 HG21 VAL A 40 -9.243 -2.792 -15.600 1.00 13.24 H new ATOM 0 HG22 VAL A 40 -8.818 -1.064 -15.630 1.00 13.24 H new ATOM 0 HG23 VAL A 40 -7.643 -2.279 -16.188 1.00 13.24 H new ATOM 653 N VAL A 41 -7.400 0.607 -12.295 1.00 20.45 N ATOM 654 CA VAL A 41 -7.839 1.954 -11.990 1.00 64.21 C ATOM 655 C VAL A 41 -6.734 2.951 -12.328 1.00 22.02 C ATOM 656 O VAL A 41 -6.946 3.828 -13.167 1.00 73.34 O ATOM 657 CB VAL A 41 -8.343 2.137 -10.531 1.00 14.33 C ATOM 658 CG1 VAL A 41 -9.617 1.342 -10.310 1.00 24.53 C ATOM 659 CG2 VAL A 41 -7.297 1.745 -9.500 1.00 11.11 C ATOM 0 H VAL A 41 -7.190 0.022 -11.486 1.00 20.45 H new ATOM 0 HA VAL A 41 -8.709 2.150 -12.617 1.00 64.21 H new ATOM 0 HB VAL A 41 -8.547 3.199 -10.395 1.00 14.33 H new ATOM 0 HG11 VAL A 41 -9.958 1.480 -9.284 1.00 24.53 H new ATOM 0 HG12 VAL A 41 -10.387 1.690 -10.998 1.00 24.53 H new ATOM 0 HG13 VAL A 41 -9.422 0.285 -10.489 1.00 24.53 H new ATOM 0 HG21 VAL A 41 -7.701 1.892 -8.498 1.00 11.11 H new ATOM 0 HG22 VAL A 41 -7.030 0.697 -9.633 1.00 11.11 H new ATOM 0 HG23 VAL A 41 -6.410 2.365 -9.628 1.00 11.11 H new ATOM 669 N ASP A 42 -5.549 2.779 -11.730 1.00 41.10 N ATOM 670 CA ASP A 42 -4.405 3.643 -12.029 1.00 21.01 C ATOM 671 C ASP A 42 -3.240 3.375 -11.079 1.00 15.32 C ATOM 672 O ASP A 42 -2.894 4.228 -10.264 1.00 31.31 O ATOM 673 CB ASP A 42 -4.789 5.126 -11.929 1.00 35.42 C ATOM 674 CG ASP A 42 -3.960 6.010 -12.837 1.00 33.53 C ATOM 675 OD1 ASP A 42 -3.113 5.479 -13.584 1.00 55.35 O ATOM 676 OD2 ASP A 42 -4.183 7.240 -12.840 1.00 23.04 O ATOM 0 H ASP A 42 -5.359 2.052 -11.040 1.00 41.10 H new ATOM 0 HA ASP A 42 -4.098 3.413 -13.049 1.00 21.01 H new ATOM 0 HB2 ASP A 42 -5.843 5.241 -12.181 1.00 35.42 H new ATOM 0 HB3 ASP A 42 -4.670 5.459 -10.898 1.00 35.42 H new ATOM 681 N GLN A 43 -2.640 2.190 -11.153 1.00 40.04 N ATOM 682 CA GLN A 43 -1.456 1.920 -10.338 1.00 40.00 C ATOM 683 C GLN A 43 -0.256 1.588 -11.217 1.00 1.22 C ATOM 684 O GLN A 43 0.890 1.789 -10.816 1.00 3.32 O ATOM 685 CB GLN A 43 -1.703 0.800 -9.315 1.00 41.14 C ATOM 686 CG GLN A 43 -1.260 -0.588 -9.761 1.00 60.34 C ATOM 687 CD GLN A 43 -1.222 -1.591 -8.617 1.00 14.51 C ATOM 688 OE1 GLN A 43 -1.460 -2.853 -8.924 1.00 44.43 O flip ATOM 689 NE2 GLN A 43 -0.980 -1.236 -7.470 1.00 0.40 N flip ATOM 0 H GLN A 43 -2.942 1.420 -11.750 1.00 40.04 H new ATOM 0 HA GLN A 43 -1.238 2.830 -9.779 1.00 40.00 H new ATOM 0 HB2 GLN A 43 -1.183 1.051 -8.391 1.00 41.14 H new ATOM 0 HB3 GLN A 43 -2.768 0.768 -9.083 1.00 41.14 H new ATOM 0 HG2 GLN A 43 -1.939 -0.950 -10.533 1.00 60.34 H new ATOM 0 HG3 GLN A 43 -0.270 -0.521 -10.212 1.00 60.34 H new ATOM 0 HE21 GLN A 43 -0.801 -0.253 -7.268 1.00 0.40 H new ATOM 0 HE22 GLN A 43 -0.958 -1.924 -6.717 1.00 0.40 H new ATOM 698 N ASP A 44 -0.516 1.094 -12.427 1.00 32.53 N ATOM 699 CA ASP A 44 0.568 0.760 -13.345 1.00 71.31 C ATOM 700 C ASP A 44 0.262 1.197 -14.784 1.00 71.12 C ATOM 701 O ASP A 44 0.084 0.369 -15.676 1.00 55.34 O ATOM 702 CB ASP A 44 0.880 -0.742 -13.289 1.00 34.24 C ATOM 703 CG ASP A 44 2.009 -1.134 -14.224 1.00 10.50 C ATOM 704 OD1 ASP A 44 3.136 -0.623 -14.048 1.00 40.13 O ATOM 705 OD2 ASP A 44 1.769 -1.930 -15.154 1.00 64.23 O ATOM 0 H ASP A 44 -1.453 0.919 -12.789 1.00 32.53 H new ATOM 0 HA ASP A 44 1.449 1.314 -13.021 1.00 71.31 H new ATOM 0 HB2 ASP A 44 1.145 -1.017 -12.268 1.00 34.24 H new ATOM 0 HB3 ASP A 44 -0.016 -1.306 -13.549 1.00 34.24 H new ATOM 710 N PRO A 45 0.134 2.510 -15.027 1.00 64.12 N ATOM 711 CA PRO A 45 0.152 3.064 -16.380 1.00 63.31 C ATOM 712 C PRO A 45 1.566 3.472 -16.788 1.00 45.41 C ATOM 713 O PRO A 45 1.768 4.213 -17.749 1.00 71.22 O ATOM 714 CB PRO A 45 -0.732 4.299 -16.242 1.00 14.52 C ATOM 715 CG PRO A 45 -0.435 4.801 -14.873 1.00 51.35 C ATOM 716 CD PRO A 45 -0.130 3.560 -14.024 1.00 3.24 C ATOM 0 HA PRO A 45 -0.186 2.357 -17.138 1.00 63.31 H new ATOM 0 HB2 PRO A 45 -0.497 5.045 -17.001 1.00 14.52 H new ATOM 0 HB3 PRO A 45 -1.787 4.050 -16.356 1.00 14.52 H new ATOM 0 HG2 PRO A 45 0.414 5.485 -14.884 1.00 51.35 H new ATOM 0 HG3 PRO A 45 -1.283 5.352 -14.467 1.00 51.35 H new ATOM 0 HD2 PRO A 45 0.731 3.720 -13.375 1.00 3.24 H new ATOM 0 HD3 PRO A 45 -0.970 3.298 -13.381 1.00 3.24 H new ATOM 724 N GLY A 46 2.544 2.974 -16.044 1.00 51.03 N ATOM 725 CA GLY A 46 3.916 3.395 -16.233 1.00 71.41 C ATOM 726 C GLY A 46 4.299 4.450 -15.215 1.00 23.24 C ATOM 727 O GLY A 46 4.959 4.151 -14.219 1.00 54.25 O ATOM 0 H GLY A 46 2.409 2.281 -15.308 1.00 51.03 H new ATOM 0 HA2 GLY A 46 4.581 2.536 -16.141 1.00 71.41 H new ATOM 0 HA3 GLY A 46 4.044 3.791 -17.240 1.00 71.41 H new ATOM 731 N GLN A 47 3.858 5.676 -15.455 1.00 14.14 N ATOM 732 CA GLN A 47 4.063 6.762 -14.506 1.00 31.01 C ATOM 733 C GLN A 47 2.733 7.164 -13.882 1.00 73.23 C ATOM 734 O GLN A 47 1.729 7.300 -14.579 1.00 14.55 O ATOM 735 CB GLN A 47 4.710 7.969 -15.185 1.00 72.35 C ATOM 736 CG GLN A 47 6.133 7.716 -15.654 1.00 30.00 C ATOM 737 CD GLN A 47 6.792 8.966 -16.199 1.00 50.22 C ATOM 738 OE1 GLN A 47 6.130 9.840 -16.759 1.00 31.14 O ATOM 739 NE2 GLN A 47 8.102 9.062 -16.031 1.00 34.53 N ATOM 0 H GLN A 47 3.355 5.945 -16.301 1.00 14.14 H new ATOM 0 HA GLN A 47 4.736 6.411 -13.724 1.00 31.01 H new ATOM 0 HB2 GLN A 47 4.102 8.263 -16.040 1.00 72.35 H new ATOM 0 HB3 GLN A 47 4.710 8.809 -14.490 1.00 72.35 H new ATOM 0 HG2 GLN A 47 6.723 7.330 -14.823 1.00 30.00 H new ATOM 0 HG3 GLN A 47 6.127 6.946 -16.425 1.00 30.00 H new ATOM 0 HE21 GLN A 47 8.612 8.314 -15.561 1.00 34.53 H new ATOM 0 HE22 GLN A 47 8.601 9.884 -16.371 1.00 34.53 H new ATOM 748 N VAL A 48 2.733 7.346 -12.571 1.00 3.53 N ATOM 749 CA VAL A 48 1.509 7.626 -11.835 1.00 65.14 C ATOM 750 C VAL A 48 1.844 8.173 -10.448 1.00 71.13 C ATOM 751 O VAL A 48 2.943 7.939 -9.942 1.00 21.42 O ATOM 752 CB VAL A 48 0.651 6.341 -11.716 1.00 3.24 C ATOM 753 CG1 VAL A 48 1.421 5.242 -11.001 1.00 44.13 C ATOM 754 CG2 VAL A 48 -0.679 6.614 -11.023 1.00 10.51 C ATOM 0 H VAL A 48 3.571 7.305 -11.992 1.00 3.53 H new ATOM 0 HA VAL A 48 0.935 8.378 -12.377 1.00 65.14 H new ATOM 0 HB VAL A 48 0.427 6.001 -12.727 1.00 3.24 H new ATOM 0 HG11 VAL A 48 0.799 4.350 -10.929 1.00 44.13 H new ATOM 0 HG12 VAL A 48 2.327 5.009 -11.561 1.00 44.13 H new ATOM 0 HG13 VAL A 48 1.690 5.578 -10.000 1.00 44.13 H new ATOM 0 HG21 VAL A 48 -1.252 5.689 -10.958 1.00 10.51 H new ATOM 0 HG22 VAL A 48 -0.494 6.997 -10.019 1.00 10.51 H new ATOM 0 HG23 VAL A 48 -1.243 7.351 -11.595 1.00 10.51 H new ATOM 764 N GLU A 49 0.915 8.924 -9.862 1.00 73.11 N ATOM 765 CA GLU A 49 1.093 9.481 -8.527 1.00 12.33 C ATOM 766 C GLU A 49 0.106 8.843 -7.552 1.00 75.11 C ATOM 767 O GLU A 49 -1.084 9.172 -7.557 1.00 31.30 O ATOM 768 CB GLU A 49 0.893 10.998 -8.549 1.00 65.40 C ATOM 769 CG GLU A 49 1.049 11.655 -7.186 1.00 51.04 C ATOM 770 CD GLU A 49 0.762 13.140 -7.220 1.00 51.51 C ATOM 771 OE1 GLU A 49 -0.426 13.521 -7.193 1.00 35.35 O ATOM 772 OE2 GLU A 49 1.722 13.939 -7.275 1.00 43.35 O ATOM 0 H GLU A 49 0.024 9.162 -10.297 1.00 73.11 H new ATOM 0 HA GLU A 49 2.109 9.265 -8.197 1.00 12.33 H new ATOM 0 HB2 GLU A 49 1.611 11.440 -9.240 1.00 65.40 H new ATOM 0 HB3 GLU A 49 -0.101 11.219 -8.937 1.00 65.40 H new ATOM 0 HG2 GLU A 49 0.376 11.175 -6.476 1.00 51.04 H new ATOM 0 HG3 GLU A 49 2.064 11.493 -6.823 1.00 51.04 H new ATOM 779 N TRP A 50 0.595 7.938 -6.713 1.00 11.10 N ATOM 780 CA TRP A 50 -0.282 7.228 -5.791 1.00 31.22 C ATOM 781 C TRP A 50 0.512 6.574 -4.669 1.00 73.34 C ATOM 782 O TRP A 50 1.739 6.625 -4.658 1.00 5.33 O ATOM 783 CB TRP A 50 -1.113 6.171 -6.536 1.00 14.53 C ATOM 784 CG TRP A 50 -0.364 4.922 -6.893 1.00 74.33 C ATOM 785 CD1 TRP A 50 0.566 4.774 -7.875 1.00 1.30 C ATOM 786 CD2 TRP A 50 -0.505 3.639 -6.275 1.00 33.21 C ATOM 787 NE1 TRP A 50 1.023 3.478 -7.901 1.00 1.12 N ATOM 788 CE2 TRP A 50 0.381 2.763 -6.925 1.00 43.32 C ATOM 789 CE3 TRP A 50 -1.293 3.149 -5.232 1.00 32.03 C ATOM 790 CZ2 TRP A 50 0.503 1.426 -6.566 1.00 14.44 C ATOM 791 CZ3 TRP A 50 -1.170 1.823 -4.874 1.00 11.40 C ATOM 792 CH2 TRP A 50 -0.278 0.975 -5.537 1.00 63.32 C ATOM 0 H TRP A 50 1.580 7.681 -6.652 1.00 11.10 H new ATOM 0 HA TRP A 50 -0.959 7.960 -5.349 1.00 31.22 H new ATOM 0 HB2 TRP A 50 -1.970 5.901 -5.918 1.00 14.53 H new ATOM 0 HB3 TRP A 50 -1.507 6.616 -7.450 1.00 14.53 H new ATOM 0 HD1 TRP A 50 0.897 5.560 -8.537 1.00 1.30 H new ATOM 0 HE1 TRP A 50 1.725 3.109 -8.542 1.00 1.12 H new ATOM 0 HE3 TRP A 50 -1.986 3.796 -4.715 1.00 32.03 H new ATOM 0 HZ2 TRP A 50 1.188 0.768 -7.080 1.00 14.44 H new ATOM 0 HZ3 TRP A 50 -1.773 1.433 -4.068 1.00 11.40 H new ATOM 0 HH2 TRP A 50 -0.204 -0.058 -5.231 1.00 63.32 H new ATOM 803 N PHE A 51 -0.195 5.976 -3.719 1.00 41.32 N ATOM 804 CA PHE A 51 0.447 5.236 -2.649 1.00 14.00 C ATOM 805 C PHE A 51 -0.563 4.378 -1.902 1.00 10.55 C ATOM 806 O PHE A 51 -1.768 4.537 -2.084 1.00 40.42 O ATOM 807 CB PHE A 51 1.170 6.190 -1.695 1.00 12.32 C ATOM 808 CG PHE A 51 0.299 7.121 -0.900 1.00 3.12 C ATOM 809 CD1 PHE A 51 -0.163 8.305 -1.451 1.00 52.13 C ATOM 810 CD2 PHE A 51 -0.013 6.834 0.419 1.00 12.12 C ATOM 811 CE1 PHE A 51 -0.922 9.183 -0.703 1.00 55.51 C ATOM 812 CE2 PHE A 51 -0.777 7.703 1.170 1.00 50.53 C ATOM 813 CZ PHE A 51 -1.231 8.881 0.610 1.00 34.51 C ATOM 0 H PHE A 51 -1.214 5.991 -3.671 1.00 41.32 H new ATOM 0 HA PHE A 51 1.189 4.570 -3.090 1.00 14.00 H new ATOM 0 HB2 PHE A 51 1.761 5.595 -0.998 1.00 12.32 H new ATOM 0 HB3 PHE A 51 1.871 6.789 -2.276 1.00 12.32 H new ATOM 0 HD1 PHE A 51 0.073 8.544 -2.477 1.00 52.13 H new ATOM 0 HD2 PHE A 51 0.346 5.918 0.865 1.00 12.12 H new ATOM 0 HE1 PHE A 51 -1.274 10.104 -1.143 1.00 55.51 H new ATOM 0 HE2 PHE A 51 -1.020 7.463 2.195 1.00 50.53 H new ATOM 0 HZ PHE A 51 -1.826 9.565 1.197 1.00 34.51 H new ATOM 823 N VAL A 52 -0.076 3.445 -1.091 1.00 21.41 N ATOM 824 CA VAL A 52 -0.978 2.615 -0.290 1.00 13.31 C ATOM 825 C VAL A 52 -1.013 3.096 1.155 1.00 14.25 C ATOM 826 O VAL A 52 -0.005 3.563 1.697 1.00 54.10 O ATOM 827 CB VAL A 52 -0.625 1.110 -0.337 1.00 53.21 C ATOM 828 CG1 VAL A 52 -0.543 0.620 -1.772 1.00 31.34 C ATOM 829 CG2 VAL A 52 0.664 0.812 0.404 1.00 35.23 C ATOM 0 H VAL A 52 0.917 3.244 -0.969 1.00 21.41 H new ATOM 0 HA VAL A 52 -1.966 2.724 -0.737 1.00 13.31 H new ATOM 0 HB VAL A 52 -1.427 0.571 0.168 1.00 53.21 H new ATOM 0 HG11 VAL A 52 -0.294 -0.441 -1.780 1.00 31.34 H new ATOM 0 HG12 VAL A 52 -1.504 0.771 -2.263 1.00 31.34 H new ATOM 0 HG13 VAL A 52 0.228 1.178 -2.304 1.00 31.34 H new ATOM 0 HG21 VAL A 52 0.877 -0.255 0.348 1.00 35.23 H new ATOM 0 HG22 VAL A 52 1.482 1.370 -0.051 1.00 35.23 H new ATOM 0 HG23 VAL A 52 0.560 1.107 1.448 1.00 35.23 H new ATOM 839 N LEU A 53 -2.178 2.966 1.774 1.00 22.52 N ATOM 840 CA LEU A 53 -2.434 3.580 3.065 1.00 5.05 C ATOM 841 C LEU A 53 -2.835 2.557 4.120 1.00 3.23 C ATOM 842 O LEU A 53 -3.802 1.815 3.941 1.00 4.11 O ATOM 843 CB LEU A 53 -3.571 4.586 2.915 1.00 4.35 C ATOM 844 CG LEU A 53 -3.756 5.567 4.068 1.00 13.24 C ATOM 845 CD1 LEU A 53 -2.815 6.743 3.906 1.00 63.01 C ATOM 846 CD2 LEU A 53 -5.199 6.038 4.142 1.00 31.20 C ATOM 0 H LEU A 53 -2.965 2.437 1.398 1.00 22.52 H new ATOM 0 HA LEU A 53 -1.512 4.062 3.391 1.00 5.05 H new ATOM 0 HB2 LEU A 53 -3.405 5.157 2.002 1.00 4.35 H new ATOM 0 HB3 LEU A 53 -4.502 4.034 2.781 1.00 4.35 H new ATOM 0 HG LEU A 53 -3.518 5.059 5.002 1.00 13.24 H new ATOM 0 HD11 LEU A 53 -2.955 7.438 4.734 1.00 63.01 H new ATOM 0 HD12 LEU A 53 -1.785 6.387 3.901 1.00 63.01 H new ATOM 0 HD13 LEU A 53 -3.027 7.252 2.966 1.00 63.01 H new ATOM 0 HD21 LEU A 53 -5.311 6.737 4.971 1.00 31.20 H new ATOM 0 HD22 LEU A 53 -5.468 6.534 3.210 1.00 31.20 H new ATOM 0 HD23 LEU A 53 -5.854 5.181 4.299 1.00 31.20 H new ATOM 858 N ASN A 54 -2.094 2.516 5.218 1.00 52.42 N ATOM 859 CA ASN A 54 -2.561 1.814 6.406 1.00 2.11 C ATOM 860 C ASN A 54 -3.586 2.692 7.116 1.00 21.00 C ATOM 861 O ASN A 54 -3.625 3.900 6.892 1.00 22.33 O ATOM 862 CB ASN A 54 -1.414 1.498 7.370 1.00 20.32 C ATOM 863 CG ASN A 54 -0.914 2.727 8.112 1.00 63.02 C ATOM 864 OD1 ASN A 54 -1.392 3.053 9.199 1.00 14.01 O ATOM 865 ND2 ASN A 54 0.051 3.418 7.534 1.00 42.44 N ATOM 0 H ASN A 54 -1.178 2.955 5.312 1.00 52.42 H new ATOM 0 HA ASN A 54 -3.003 0.867 6.095 1.00 2.11 H new ATOM 0 HB2 ASN A 54 -1.747 0.753 8.093 1.00 20.32 H new ATOM 0 HB3 ASN A 54 -0.589 1.055 6.813 1.00 20.32 H new ATOM 0 HD21 ASN A 54 0.424 4.251 7.989 1.00 42.44 H new ATOM 0 HD22 ASN A 54 0.423 3.119 6.633 1.00 42.44 H new ATOM 872 N ALA A 55 -4.399 2.094 7.972 1.00 24.42 N ATOM 873 CA ALA A 55 -5.409 2.843 8.705 1.00 42.22 C ATOM 874 C ALA A 55 -5.977 2.019 9.850 1.00 51.31 C ATOM 875 O ALA A 55 -6.988 1.331 9.696 1.00 12.33 O ATOM 876 CB ALA A 55 -6.527 3.319 7.785 1.00 52.14 C ATOM 0 H ALA A 55 -4.380 1.095 8.177 1.00 24.42 H new ATOM 0 HA ALA A 55 -4.921 3.723 9.124 1.00 42.22 H new ATOM 0 HB1 ALA A 55 -7.264 3.875 8.365 1.00 52.14 H new ATOM 0 HB2 ALA A 55 -6.112 3.965 7.012 1.00 52.14 H new ATOM 0 HB3 ALA A 55 -7.006 2.458 7.319 1.00 52.14 H new ATOM 882 N GLU A 56 -5.267 2.058 10.971 1.00 41.00 N ATOM 883 CA GLU A 56 -5.738 1.522 12.244 1.00 23.52 C ATOM 884 C GLU A 56 -5.806 -0.009 12.261 1.00 74.25 C ATOM 885 O GLU A 56 -4.937 -0.666 12.831 1.00 15.12 O ATOM 886 CB GLU A 56 -7.103 2.121 12.600 1.00 72.11 C ATOM 887 CG GLU A 56 -7.537 1.851 14.029 1.00 35.42 C ATOM 888 CD GLU A 56 -6.558 2.407 15.041 1.00 10.11 C ATOM 889 OE1 GLU A 56 -6.396 3.642 15.098 1.00 40.14 O ATOM 890 OE2 GLU A 56 -5.943 1.612 15.782 1.00 31.45 O ATOM 0 H GLU A 56 -4.335 2.468 11.023 1.00 41.00 H new ATOM 0 HA GLU A 56 -5.005 1.810 12.997 1.00 23.52 H new ATOM 0 HB2 GLU A 56 -7.070 3.198 12.438 1.00 72.11 H new ATOM 0 HB3 GLU A 56 -7.854 1.719 11.920 1.00 72.11 H new ATOM 0 HG2 GLU A 56 -8.520 2.291 14.197 1.00 35.42 H new ATOM 0 HG3 GLU A 56 -7.640 0.776 14.178 1.00 35.42 H new ATOM 897 N SER A 57 -6.814 -0.567 11.607 1.00 54.11 N ATOM 898 CA SER A 57 -7.167 -1.968 11.795 1.00 13.15 C ATOM 899 C SER A 57 -6.649 -2.866 10.671 1.00 33.22 C ATOM 900 O SER A 57 -7.230 -3.919 10.386 1.00 54.05 O ATOM 901 CB SER A 57 -8.686 -2.084 11.924 1.00 35.45 C ATOM 902 OG SER A 57 -9.341 -1.312 10.928 1.00 51.30 O ATOM 0 H SER A 57 -7.404 -0.070 10.939 1.00 54.11 H new ATOM 0 HA SER A 57 -6.684 -2.317 12.708 1.00 13.15 H new ATOM 0 HB2 SER A 57 -8.984 -3.129 11.834 1.00 35.45 H new ATOM 0 HB3 SER A 57 -8.997 -1.748 12.913 1.00 35.45 H new ATOM 0 HG SER A 57 -10.292 -1.547 10.905 1.00 51.30 H new ATOM 908 N ASN A 58 -5.545 -2.478 10.051 1.00 15.01 N ATOM 909 CA ASN A 58 -4.907 -3.330 9.055 1.00 51.43 C ATOM 910 C ASN A 58 -4.063 -4.394 9.755 1.00 33.41 C ATOM 911 O ASN A 58 -2.846 -4.286 9.856 1.00 44.24 O ATOM 912 CB ASN A 58 -4.072 -2.509 8.057 1.00 34.32 C ATOM 913 CG ASN A 58 -3.155 -1.493 8.717 1.00 13.23 C ATOM 914 OD1 ASN A 58 -3.572 -0.369 9.010 1.00 10.54 O ATOM 915 ND2 ASN A 58 -1.905 -1.863 8.928 1.00 51.02 N ATOM 0 H ASN A 58 -5.075 -1.588 10.216 1.00 15.01 H new ATOM 0 HA ASN A 58 -5.683 -3.828 8.473 1.00 51.43 H new ATOM 0 HB2 ASN A 58 -3.471 -3.189 7.454 1.00 34.32 H new ATOM 0 HB3 ASN A 58 -4.745 -1.989 7.376 1.00 34.32 H new ATOM 0 HD21 ASN A 58 -1.244 -1.210 9.348 1.00 51.02 H new ATOM 0 HD22 ASN A 58 -1.601 -2.802 8.671 1.00 51.02 H new ATOM 922 N VAL A 59 -4.742 -5.403 10.282 1.00 54.35 N ATOM 923 CA VAL A 59 -4.088 -6.432 11.080 1.00 21.53 C ATOM 924 C VAL A 59 -4.290 -7.817 10.475 1.00 62.42 C ATOM 925 O VAL A 59 -3.375 -8.384 9.888 1.00 1.14 O ATOM 926 CB VAL A 59 -4.645 -6.444 12.510 1.00 33.41 C ATOM 927 CG1 VAL A 59 -3.914 -7.465 13.370 1.00 51.15 C ATOM 928 CG2 VAL A 59 -4.574 -5.059 13.138 1.00 65.54 C ATOM 0 H VAL A 59 -5.748 -5.532 10.171 1.00 54.35 H new ATOM 0 HA VAL A 59 -3.024 -6.195 11.094 1.00 21.53 H new ATOM 0 HB VAL A 59 -5.694 -6.735 12.456 1.00 33.41 H new ATOM 0 HG11 VAL A 59 -4.327 -7.454 14.379 1.00 51.15 H new ATOM 0 HG12 VAL A 59 -4.036 -8.458 12.939 1.00 51.15 H new ATOM 0 HG13 VAL A 59 -2.854 -7.215 13.410 1.00 51.15 H new ATOM 0 HG21 VAL A 59 -4.975 -5.098 14.151 1.00 65.54 H new ATOM 0 HG22 VAL A 59 -3.536 -4.727 13.171 1.00 65.54 H new ATOM 0 HG23 VAL A 59 -5.160 -4.359 12.542 1.00 65.54 H new ATOM 938 N GLU A 60 -5.504 -8.349 10.599 1.00 72.02 N ATOM 939 CA GLU A 60 -5.782 -9.703 10.144 1.00 63.42 C ATOM 940 C GLU A 60 -6.421 -9.647 8.782 1.00 31.04 C ATOM 941 O GLU A 60 -6.693 -10.665 8.159 1.00 62.41 O ATOM 942 CB GLU A 60 -6.704 -10.431 11.119 1.00 45.21 C ATOM 943 CG GLU A 60 -6.094 -10.649 12.487 1.00 61.44 C ATOM 944 CD GLU A 60 -7.042 -11.350 13.428 1.00 62.01 C ATOM 945 OE1 GLU A 60 -7.837 -10.657 14.098 1.00 61.34 O ATOM 946 OE2 GLU A 60 -7.007 -12.595 13.498 1.00 71.40 O ATOM 0 H GLU A 60 -6.303 -7.865 11.008 1.00 72.02 H new ATOM 0 HA GLU A 60 -4.843 -10.254 10.092 1.00 63.42 H new ATOM 0 HB2 GLU A 60 -7.626 -9.860 11.229 1.00 45.21 H new ATOM 0 HB3 GLU A 60 -6.977 -11.397 10.695 1.00 45.21 H new ATOM 0 HG2 GLU A 60 -5.182 -11.238 12.387 1.00 61.44 H new ATOM 0 HG3 GLU A 60 -5.807 -9.687 12.913 1.00 61.44 H new ATOM 953 N VAL A 61 -6.648 -8.432 8.331 1.00 60.21 N ATOM 954 CA VAL A 61 -7.300 -8.195 7.068 1.00 53.45 C ATOM 955 C VAL A 61 -6.370 -8.576 5.924 1.00 30.43 C ATOM 956 O VAL A 61 -6.776 -9.184 4.929 1.00 22.44 O ATOM 957 CB VAL A 61 -7.724 -6.706 6.962 1.00 3.02 C ATOM 958 CG1 VAL A 61 -8.499 -6.303 8.204 1.00 70.21 C ATOM 959 CG2 VAL A 61 -6.529 -5.781 6.784 1.00 1.25 C ATOM 0 H VAL A 61 -6.385 -7.583 8.832 1.00 60.21 H new ATOM 0 HA VAL A 61 -8.196 -8.813 7.003 1.00 53.45 H new ATOM 0 HB VAL A 61 -8.354 -6.607 6.078 1.00 3.02 H new ATOM 0 HG11 VAL A 61 -8.795 -5.257 8.125 1.00 70.21 H new ATOM 0 HG12 VAL A 61 -9.389 -6.926 8.295 1.00 70.21 H new ATOM 0 HG13 VAL A 61 -7.871 -6.437 9.084 1.00 70.21 H new ATOM 0 HG21 VAL A 61 -6.874 -4.750 6.715 1.00 1.25 H new ATOM 0 HG22 VAL A 61 -5.860 -5.883 7.638 1.00 1.25 H new ATOM 0 HG23 VAL A 61 -5.996 -6.047 5.871 1.00 1.25 H new ATOM 969 N ASP A 62 -5.103 -8.300 6.132 1.00 13.13 N ATOM 970 CA ASP A 62 -4.125 -8.357 5.079 1.00 13.11 C ATOM 971 C ASP A 62 -2.922 -9.155 5.563 1.00 61.04 C ATOM 972 O ASP A 62 -2.116 -8.663 6.350 1.00 64.44 O ATOM 973 CB ASP A 62 -3.751 -6.916 4.719 1.00 54.50 C ATOM 974 CG ASP A 62 -2.883 -6.790 3.476 1.00 3.24 C ATOM 975 OD1 ASP A 62 -1.672 -7.083 3.556 1.00 1.20 O ATOM 976 OD2 ASP A 62 -3.413 -6.380 2.411 1.00 13.13 O ATOM 0 H ASP A 62 -4.724 -8.029 7.040 1.00 13.13 H new ATOM 0 HA ASP A 62 -4.512 -8.855 4.190 1.00 13.11 H new ATOM 0 HB2 ASP A 62 -4.665 -6.341 4.570 1.00 54.50 H new ATOM 0 HB3 ASP A 62 -3.226 -6.467 5.562 1.00 54.50 H new ATOM 981 N LEU A 63 -2.835 -10.406 5.134 1.00 42.23 N ATOM 982 CA LEU A 63 -1.831 -11.320 5.669 1.00 52.14 C ATOM 983 C LEU A 63 -0.811 -11.660 4.600 1.00 21.53 C ATOM 984 O LEU A 63 -1.117 -12.397 3.666 1.00 25.20 O ATOM 985 CB LEU A 63 -2.482 -12.619 6.168 1.00 65.54 C ATOM 986 CG LEU A 63 -3.775 -12.460 6.970 1.00 51.40 C ATOM 987 CD1 LEU A 63 -4.267 -13.811 7.461 1.00 35.33 C ATOM 988 CD2 LEU A 63 -3.579 -11.513 8.135 1.00 15.21 C ATOM 0 H LEU A 63 -3.442 -10.811 4.422 1.00 42.23 H new ATOM 0 HA LEU A 63 -1.339 -10.823 6.505 1.00 52.14 H new ATOM 0 HB2 LEU A 63 -2.689 -13.252 5.305 1.00 65.54 H new ATOM 0 HB3 LEU A 63 -1.758 -13.150 6.786 1.00 65.54 H new ATOM 0 HG LEU A 63 -4.530 -12.033 6.310 1.00 51.40 H new ATOM 0 HD11 LEU A 63 -5.188 -13.678 8.029 1.00 35.33 H new ATOM 0 HD12 LEU A 63 -4.458 -14.461 6.607 1.00 35.33 H new ATOM 0 HD13 LEU A 63 -3.509 -14.264 8.099 1.00 35.33 H new ATOM 0 HD21 LEU A 63 -4.514 -11.418 8.688 1.00 15.21 H new ATOM 0 HD22 LEU A 63 -2.805 -11.904 8.795 1.00 15.21 H new ATOM 0 HD23 LEU A 63 -3.277 -10.534 7.762 1.00 15.21 H new ATOM 1000 N THR A 64 0.391 -11.103 4.722 1.00 61.51 N ATOM 1001 CA THR A 64 1.449 -11.325 3.737 1.00 4.24 C ATOM 1002 C THR A 64 1.057 -10.707 2.384 1.00 14.01 C ATOM 1003 O THR A 64 1.768 -10.816 1.376 1.00 23.00 O ATOM 1004 CB THR A 64 1.749 -12.836 3.588 1.00 51.22 C ATOM 1005 OG1 THR A 64 1.858 -13.430 4.893 1.00 2.42 O ATOM 1006 CG2 THR A 64 3.044 -13.077 2.823 1.00 4.23 C ATOM 0 H THR A 64 0.658 -10.493 5.495 1.00 61.51 H new ATOM 0 HA THR A 64 2.358 -10.835 4.087 1.00 4.24 H new ATOM 0 HB THR A 64 0.931 -13.289 3.028 1.00 51.22 H new ATOM 0 HG1 THR A 64 2.046 -14.387 4.802 1.00 2.42 H new ATOM 0 HG21 THR A 64 3.222 -14.149 2.738 1.00 4.23 H new ATOM 0 HG22 THR A 64 2.964 -12.642 1.827 1.00 4.23 H new ATOM 0 HG23 THR A 64 3.873 -12.613 3.356 1.00 4.23 H new ATOM 1014 N ALA A 65 -0.068 -10.011 2.370 1.00 32.44 N ATOM 1015 CA ALA A 65 -0.506 -9.336 1.174 1.00 33.00 C ATOM 1016 C ALA A 65 0.325 -8.081 0.972 1.00 53.11 C ATOM 1017 O ALA A 65 0.289 -7.475 -0.098 1.00 60.14 O ATOM 1018 CB ALA A 65 -1.988 -9.022 1.231 1.00 74.51 C ATOM 0 H ALA A 65 -0.688 -9.903 3.173 1.00 32.44 H new ATOM 0 HA ALA A 65 -0.359 -9.995 0.318 1.00 33.00 H new ATOM 0 HB1 ALA A 65 -2.288 -8.513 0.315 1.00 74.51 H new ATOM 0 HB2 ALA A 65 -2.553 -9.949 1.333 1.00 74.51 H new ATOM 0 HB3 ALA A 65 -2.191 -8.378 2.087 1.00 74.51 H new ATOM 1024 N LEU A 66 1.076 -7.697 2.008 1.00 34.12 N ATOM 1025 CA LEU A 66 2.110 -6.691 1.840 1.00 62.41 C ATOM 1026 C LEU A 66 3.221 -7.238 0.968 1.00 60.24 C ATOM 1027 O LEU A 66 3.806 -6.510 0.199 1.00 32.11 O ATOM 1028 CB LEU A 66 2.687 -6.106 3.155 1.00 52.51 C ATOM 1029 CG LEU A 66 2.975 -7.028 4.373 1.00 73.50 C ATOM 1030 CD1 LEU A 66 1.697 -7.364 5.133 1.00 13.32 C ATOM 1031 CD2 LEU A 66 3.702 -8.305 3.978 1.00 72.13 C ATOM 0 H LEU A 66 0.985 -8.065 2.955 1.00 34.12 H new ATOM 0 HA LEU A 66 1.619 -5.847 1.356 1.00 62.41 H new ATOM 0 HB2 LEU A 66 3.623 -5.608 2.901 1.00 52.51 H new ATOM 0 HB3 LEU A 66 1.996 -5.334 3.493 1.00 52.51 H new ATOM 0 HG LEU A 66 3.635 -6.464 5.032 1.00 73.50 H new ATOM 0 HD11 LEU A 66 1.935 -8.010 5.978 1.00 13.32 H new ATOM 0 HD12 LEU A 66 1.238 -6.445 5.497 1.00 13.32 H new ATOM 0 HD13 LEU A 66 1.003 -7.878 4.468 1.00 13.32 H new ATOM 0 HD21 LEU A 66 3.878 -8.913 4.866 1.00 72.13 H new ATOM 0 HD22 LEU A 66 3.093 -8.866 3.269 1.00 72.13 H new ATOM 0 HD23 LEU A 66 4.656 -8.052 3.516 1.00 72.13 H new ATOM 1043 N ASP A 67 3.486 -8.532 1.062 1.00 50.52 N ATOM 1044 CA ASP A 67 4.462 -9.161 0.188 1.00 32.45 C ATOM 1045 C ASP A 67 3.981 -9.025 -1.234 1.00 4.33 C ATOM 1046 O ASP A 67 4.727 -8.608 -2.123 1.00 45.53 O ATOM 1047 CB ASP A 67 4.645 -10.634 0.548 1.00 44.42 C ATOM 1048 CG ASP A 67 5.565 -11.361 -0.411 1.00 5.20 C ATOM 1049 OD1 ASP A 67 6.788 -11.133 -0.356 1.00 54.02 O ATOM 1050 OD2 ASP A 67 5.071 -12.184 -1.211 1.00 71.43 O ATOM 0 H ASP A 67 3.042 -9.163 1.730 1.00 50.52 H new ATOM 0 HA ASP A 67 5.429 -8.671 0.306 1.00 32.45 H new ATOM 0 HB2 ASP A 67 5.047 -10.709 1.558 1.00 44.42 H new ATOM 0 HB3 ASP A 67 3.672 -11.126 0.555 1.00 44.42 H new ATOM 1055 N ALA A 68 2.707 -9.337 -1.428 1.00 25.55 N ATOM 1056 CA ALA A 68 2.073 -9.176 -2.729 1.00 3.22 C ATOM 1057 C ALA A 68 2.139 -7.722 -3.204 1.00 73.14 C ATOM 1058 O ALA A 68 2.674 -7.431 -4.283 1.00 21.12 O ATOM 1059 CB ALA A 68 0.631 -9.651 -2.675 1.00 14.23 C ATOM 0 H ALA A 68 2.092 -9.703 -0.701 1.00 25.55 H new ATOM 0 HA ALA A 68 2.619 -9.787 -3.447 1.00 3.22 H new ATOM 0 HB1 ALA A 68 0.169 -9.525 -3.654 1.00 14.23 H new ATOM 0 HB2 ALA A 68 0.605 -10.704 -2.395 1.00 14.23 H new ATOM 0 HB3 ALA A 68 0.082 -9.065 -1.937 1.00 14.23 H new ATOM 1065 N LEU A 69 1.622 -6.802 -2.389 1.00 30.40 N ATOM 1066 CA LEU A 69 1.525 -5.409 -2.800 1.00 14.34 C ATOM 1067 C LEU A 69 2.903 -4.774 -2.939 1.00 51.04 C ATOM 1068 O LEU A 69 3.150 -4.083 -3.913 1.00 23.51 O ATOM 1069 CB LEU A 69 0.610 -4.593 -1.859 1.00 33.44 C ATOM 1070 CG LEU A 69 1.112 -4.334 -0.430 1.00 0.33 C ATOM 1071 CD1 LEU A 69 1.978 -3.079 -0.366 1.00 65.33 C ATOM 1072 CD2 LEU A 69 -0.065 -4.204 0.524 1.00 23.35 C ATOM 0 H LEU A 69 1.269 -6.997 -1.452 1.00 30.40 H new ATOM 0 HA LEU A 69 1.058 -5.394 -3.785 1.00 14.34 H new ATOM 0 HB2 LEU A 69 0.420 -3.628 -2.329 1.00 33.44 H new ATOM 0 HB3 LEU A 69 -0.348 -5.109 -1.791 1.00 33.44 H new ATOM 0 HG LEU A 69 1.725 -5.184 -0.130 1.00 0.33 H new ATOM 0 HD11 LEU A 69 2.318 -2.923 0.658 1.00 65.33 H new ATOM 0 HD12 LEU A 69 2.841 -3.199 -1.020 1.00 65.33 H new ATOM 0 HD13 LEU A 69 1.394 -2.217 -0.690 1.00 65.33 H new ATOM 0 HD21 LEU A 69 0.303 -4.021 1.533 1.00 23.35 H new ATOM 0 HD22 LEU A 69 -0.696 -3.372 0.212 1.00 23.35 H new ATOM 0 HD23 LEU A 69 -0.647 -5.126 0.512 1.00 23.35 H new ATOM 1084 N ASP A 70 3.802 -5.031 -1.991 1.00 54.34 N ATOM 1085 CA ASP A 70 5.138 -4.438 -2.028 1.00 24.35 C ATOM 1086 C ASP A 70 5.843 -4.802 -3.307 1.00 14.43 C ATOM 1087 O ASP A 70 6.217 -3.924 -4.064 1.00 43.00 O ATOM 1088 CB ASP A 70 6.017 -4.875 -0.852 1.00 63.35 C ATOM 1089 CG ASP A 70 5.698 -4.153 0.448 1.00 10.33 C ATOM 1090 OD1 ASP A 70 5.426 -2.933 0.410 1.00 11.03 O ATOM 1091 OD2 ASP A 70 5.759 -4.791 1.517 1.00 12.01 O ATOM 0 H ASP A 70 3.632 -5.642 -1.192 1.00 54.34 H new ATOM 0 HA ASP A 70 4.989 -3.360 -1.962 1.00 24.35 H new ATOM 0 HB2 ASP A 70 5.899 -5.948 -0.700 1.00 63.35 H new ATOM 0 HB3 ASP A 70 7.063 -4.702 -1.107 1.00 63.35 H new ATOM 1096 N GLN A 71 5.998 -6.099 -3.559 1.00 42.42 N ATOM 1097 CA GLN A 71 6.715 -6.568 -4.739 1.00 73.14 C ATOM 1098 C GLN A 71 6.169 -5.882 -5.994 1.00 73.24 C ATOM 1099 O GLN A 71 6.937 -5.384 -6.821 1.00 42.22 O ATOM 1100 CB GLN A 71 6.629 -8.100 -4.835 1.00 43.42 C ATOM 1101 CG GLN A 71 5.803 -8.638 -5.998 1.00 13.03 C ATOM 1102 CD GLN A 71 5.030 -9.893 -5.640 1.00 62.40 C ATOM 1103 OE1 GLN A 71 4.504 -9.943 -4.429 1.00 2.25 O flip ATOM 1104 NE2 GLN A 71 4.869 -10.794 -6.462 1.00 60.33 N flip ATOM 0 H GLN A 71 5.637 -6.843 -2.962 1.00 42.42 H new ATOM 0 HA GLN A 71 7.769 -6.304 -4.654 1.00 73.14 H new ATOM 0 HB2 GLN A 71 7.640 -8.499 -4.915 1.00 43.42 H new ATOM 0 HB3 GLN A 71 6.208 -8.482 -3.905 1.00 43.42 H new ATOM 0 HG2 GLN A 71 5.105 -7.869 -6.328 1.00 13.03 H new ATOM 0 HG3 GLN A 71 6.463 -8.851 -6.839 1.00 13.03 H new ATOM 0 HE21 GLN A 71 5.290 -10.721 -7.388 1.00 60.33 H new ATOM 0 HE22 GLN A 71 4.314 -11.614 -6.218 1.00 60.33 H new ATOM 1113 N LEU A 72 4.841 -5.799 -6.094 1.00 65.31 N ATOM 1114 CA LEU A 72 4.211 -5.113 -7.212 1.00 33.02 C ATOM 1115 C LEU A 72 4.517 -3.620 -7.190 1.00 52.44 C ATOM 1116 O LEU A 72 5.242 -3.114 -8.038 1.00 63.23 O ATOM 1117 CB LEU A 72 2.695 -5.332 -7.201 1.00 34.50 C ATOM 1118 CG LEU A 72 2.233 -6.728 -7.615 1.00 51.30 C ATOM 1119 CD1 LEU A 72 0.726 -6.855 -7.468 1.00 33.53 C ATOM 1120 CD2 LEU A 72 2.651 -7.015 -9.050 1.00 53.33 C ATOM 0 H LEU A 72 4.189 -6.197 -5.417 1.00 65.31 H new ATOM 0 HA LEU A 72 4.624 -5.536 -8.128 1.00 33.02 H new ATOM 0 HB2 LEU A 72 2.322 -5.127 -6.197 1.00 34.50 H new ATOM 0 HB3 LEU A 72 2.234 -4.603 -7.867 1.00 34.50 H new ATOM 0 HG LEU A 72 2.706 -7.459 -6.959 1.00 51.30 H new ATOM 0 HD11 LEU A 72 0.414 -7.856 -7.767 1.00 33.53 H new ATOM 0 HD12 LEU A 72 0.446 -6.683 -6.429 1.00 33.53 H new ATOM 0 HD13 LEU A 72 0.235 -6.117 -8.103 1.00 33.53 H new ATOM 0 HD21 LEU A 72 2.316 -8.013 -9.334 1.00 53.33 H new ATOM 0 HD22 LEU A 72 2.200 -6.278 -9.715 1.00 53.33 H new ATOM 0 HD23 LEU A 72 3.737 -6.960 -9.131 1.00 53.33 H new ATOM 1132 N ARG A 73 4.006 -2.922 -6.191 1.00 45.21 N ATOM 1133 CA ARG A 73 4.049 -1.470 -6.194 1.00 10.41 C ATOM 1134 C ARG A 73 5.416 -0.920 -5.771 1.00 4.11 C ATOM 1135 O ARG A 73 5.557 0.281 -5.616 1.00 22.41 O ATOM 1136 CB ARG A 73 2.908 -0.879 -5.340 1.00 31.12 C ATOM 1137 CG ARG A 73 2.965 -1.219 -3.859 1.00 42.44 C ATOM 1138 CD ARG A 73 3.786 -0.211 -3.081 1.00 52.43 C ATOM 1139 NE ARG A 73 4.634 -0.854 -2.086 1.00 64.21 N ATOM 1140 CZ ARG A 73 5.932 -0.601 -1.968 1.00 34.22 C ATOM 1141 NH1 ARG A 73 6.519 0.234 -2.804 1.00 42.43 N ATOM 1142 NH2 ARG A 73 6.643 -1.198 -1.033 1.00 34.10 N ATOM 0 H ARG A 73 3.559 -3.334 -5.372 1.00 45.21 H new ATOM 0 HA ARG A 73 3.897 -1.150 -7.225 1.00 10.41 H new ATOM 0 HB2 ARG A 73 2.919 0.206 -5.448 1.00 31.12 H new ATOM 0 HB3 ARG A 73 1.957 -1.230 -5.741 1.00 31.12 H new ATOM 0 HG2 ARG A 73 1.953 -1.253 -3.455 1.00 42.44 H new ATOM 0 HG3 ARG A 73 3.393 -2.213 -3.731 1.00 42.44 H new ATOM 0 HD2 ARG A 73 4.406 0.362 -3.771 1.00 52.43 H new ATOM 0 HD3 ARG A 73 3.120 0.497 -2.588 1.00 52.43 H new ATOM 0 HE ARG A 73 4.211 -1.530 -1.450 1.00 64.21 H new ATOM 0 HH11 ARG A 73 5.976 0.685 -3.540 1.00 42.43 H new ATOM 0 HH12 ARG A 73 7.516 0.429 -2.714 1.00 42.43 H new ATOM 0 HH21 ARG A 73 6.196 -1.858 -0.396 1.00 34.10 H new ATOM 0 HH22 ARG A 73 7.640 -1.000 -0.946 1.00 34.10 H new ATOM 1156 N THR A 74 6.416 -1.786 -5.579 1.00 23.41 N ATOM 1157 CA THR A 74 7.801 -1.330 -5.411 1.00 11.52 C ATOM 1158 C THR A 74 8.510 -1.417 -6.757 1.00 43.45 C ATOM 1159 O THR A 74 9.297 -0.536 -7.123 1.00 45.42 O ATOM 1160 CB THR A 74 8.597 -2.133 -4.342 1.00 72.24 C ATOM 1161 OG1 THR A 74 9.771 -1.409 -3.961 1.00 61.33 O ATOM 1162 CG2 THR A 74 9.024 -3.503 -4.859 1.00 41.22 C ATOM 0 H THR A 74 6.295 -2.798 -5.536 1.00 23.41 H new ATOM 0 HA THR A 74 7.762 -0.302 -5.050 1.00 11.52 H new ATOM 0 HB THR A 74 7.935 -2.272 -3.488 1.00 72.24 H new ATOM 0 HG1 THR A 74 9.522 -0.500 -3.692 1.00 61.33 H new ATOM 0 HG21 THR A 74 9.577 -4.029 -4.081 1.00 41.22 H new ATOM 0 HG22 THR A 74 8.141 -4.081 -5.131 1.00 41.22 H new ATOM 0 HG23 THR A 74 9.660 -3.379 -5.735 1.00 41.22 H new ATOM 1170 N GLU A 75 8.196 -2.478 -7.503 1.00 71.10 N ATOM 1171 CA GLU A 75 8.599 -2.592 -8.889 1.00 50.15 C ATOM 1172 C GLU A 75 8.068 -1.378 -9.639 1.00 1.12 C ATOM 1173 O GLU A 75 8.720 -0.829 -10.523 1.00 22.32 O ATOM 1174 CB GLU A 75 8.023 -3.890 -9.469 1.00 44.34 C ATOM 1175 CG GLU A 75 8.312 -4.114 -10.947 1.00 32.03 C ATOM 1176 CD GLU A 75 9.785 -4.310 -11.240 1.00 63.04 C ATOM 1177 OE1 GLU A 75 10.329 -5.376 -10.890 1.00 34.42 O ATOM 1178 OE2 GLU A 75 10.406 -3.402 -11.819 1.00 63.33 O ATOM 0 H GLU A 75 7.658 -3.273 -7.158 1.00 71.10 H new ATOM 0 HA GLU A 75 9.684 -2.624 -8.983 1.00 50.15 H new ATOM 0 HB2 GLU A 75 8.422 -4.732 -8.904 1.00 44.34 H new ATOM 0 HB3 GLU A 75 6.943 -3.890 -9.321 1.00 44.34 H new ATOM 0 HG2 GLU A 75 7.760 -4.988 -11.291 1.00 32.03 H new ATOM 0 HG3 GLU A 75 7.945 -3.260 -11.517 1.00 32.03 H new ATOM 1185 N LEU A 76 6.883 -0.956 -9.222 1.00 5.44 N ATOM 1186 CA LEU A 76 6.215 0.211 -9.776 1.00 61.35 C ATOM 1187 C LEU A 76 6.706 1.504 -9.108 1.00 60.41 C ATOM 1188 O LEU A 76 6.852 2.531 -9.773 1.00 4.11 O ATOM 1189 CB LEU A 76 4.698 0.075 -9.575 1.00 61.44 C ATOM 1190 CG LEU A 76 3.938 -0.853 -10.548 1.00 44.41 C ATOM 1191 CD1 LEU A 76 4.652 -2.180 -10.765 1.00 61.50 C ATOM 1192 CD2 LEU A 76 2.538 -1.114 -10.015 1.00 13.53 C ATOM 0 H LEU A 76 6.354 -1.419 -8.483 1.00 5.44 H new ATOM 0 HA LEU A 76 6.449 0.266 -10.839 1.00 61.35 H new ATOM 0 HB2 LEU A 76 4.522 -0.282 -8.560 1.00 61.44 H new ATOM 0 HB3 LEU A 76 4.258 1.070 -9.643 1.00 61.44 H new ATOM 0 HG LEU A 76 3.892 -0.345 -11.511 1.00 44.41 H new ATOM 0 HD11 LEU A 76 4.076 -2.794 -11.457 1.00 61.50 H new ATOM 0 HD12 LEU A 76 5.642 -1.996 -11.181 1.00 61.50 H new ATOM 0 HD13 LEU A 76 4.750 -2.701 -9.812 1.00 61.50 H new ATOM 0 HD21 LEU A 76 2.003 -1.769 -10.703 1.00 13.53 H new ATOM 0 HD22 LEU A 76 2.604 -1.591 -9.037 1.00 13.53 H new ATOM 0 HD23 LEU A 76 2.002 -0.169 -9.923 1.00 13.53 H new ATOM 1204 N LEU A 77 6.964 1.440 -7.795 1.00 11.02 N ATOM 1205 CA LEU A 77 7.304 2.631 -6.996 1.00 74.12 C ATOM 1206 C LEU A 77 8.555 3.322 -7.496 1.00 14.34 C ATOM 1207 O LEU A 77 8.551 4.526 -7.748 1.00 71.42 O ATOM 1208 CB LEU A 77 7.501 2.269 -5.517 1.00 12.13 C ATOM 1209 CG LEU A 77 7.762 3.451 -4.573 1.00 35.53 C ATOM 1210 CD1 LEU A 77 7.133 3.197 -3.215 1.00 11.45 C ATOM 1211 CD2 LEU A 77 9.254 3.703 -4.401 1.00 54.43 C ATOM 0 H LEU A 77 6.944 0.572 -7.259 1.00 11.02 H new ATOM 0 HA LEU A 77 6.462 3.315 -7.102 1.00 74.12 H new ATOM 0 HB2 LEU A 77 6.614 1.739 -5.170 1.00 12.13 H new ATOM 0 HB3 LEU A 77 8.337 1.574 -5.440 1.00 12.13 H new ATOM 0 HG LEU A 77 7.309 4.335 -5.023 1.00 35.53 H new ATOM 0 HD11 LEU A 77 7.328 4.045 -2.559 1.00 11.45 H new ATOM 0 HD12 LEU A 77 6.057 3.068 -3.331 1.00 11.45 H new ATOM 0 HD13 LEU A 77 7.562 2.295 -2.779 1.00 11.45 H new ATOM 0 HD21 LEU A 77 9.405 4.546 -3.727 1.00 54.43 H new ATOM 0 HD22 LEU A 77 9.727 2.815 -3.983 1.00 54.43 H new ATOM 0 HD23 LEU A 77 9.699 3.929 -5.370 1.00 54.43 H new ATOM 1223 N ARG A 78 9.616 2.549 -7.647 1.00 43.12 N ATOM 1224 CA ARG A 78 10.939 3.091 -7.917 1.00 51.33 C ATOM 1225 C ARG A 78 11.058 3.600 -9.363 1.00 54.14 C ATOM 1226 O ARG A 78 12.156 3.722 -9.904 1.00 11.12 O ATOM 1227 CB ARG A 78 11.984 2.009 -7.616 1.00 45.22 C ATOM 1228 CG ARG A 78 12.099 0.940 -8.690 1.00 71.13 C ATOM 1229 CD ARG A 78 12.836 -0.288 -8.182 1.00 41.02 C ATOM 1230 NE ARG A 78 13.603 -0.945 -9.241 1.00 62.24 N ATOM 1231 CZ ARG A 78 13.067 -1.721 -10.178 1.00 11.54 C ATOM 1232 NH1 ARG A 78 11.758 -1.926 -10.203 1.00 24.40 N ATOM 1233 NH2 ARG A 78 13.846 -2.282 -11.089 1.00 1.04 N ATOM 0 H ARG A 78 9.587 1.531 -7.586 1.00 43.12 H new ATOM 0 HA ARG A 78 11.113 3.953 -7.272 1.00 51.33 H new ATOM 0 HB2 ARG A 78 12.956 2.484 -7.486 1.00 45.22 H new ATOM 0 HB3 ARG A 78 11.734 1.531 -6.669 1.00 45.22 H new ATOM 0 HG2 ARG A 78 11.103 0.653 -9.027 1.00 71.13 H new ATOM 0 HG3 ARG A 78 12.623 1.347 -9.555 1.00 71.13 H new ATOM 0 HD2 ARG A 78 13.508 0.001 -7.374 1.00 41.02 H new ATOM 0 HD3 ARG A 78 12.119 -0.994 -7.763 1.00 41.02 H new ATOM 0 HE ARG A 78 14.612 -0.798 -9.262 1.00 62.24 H new ATOM 0 HH11 ARG A 78 11.160 -1.488 -9.503 1.00 24.40 H new ATOM 0 HH12 ARG A 78 11.349 -2.522 -10.923 1.00 24.40 H new ATOM 0 HH21 ARG A 78 14.853 -2.118 -11.070 1.00 1.04 H new ATOM 0 HH22 ARG A 78 13.440 -2.878 -11.810 1.00 1.04 H new ATOM 1247 N ARG A 79 9.920 3.920 -9.970 1.00 43.31 N ATOM 1248 CA ARG A 79 9.888 4.402 -11.344 1.00 72.23 C ATOM 1249 C ARG A 79 9.230 5.781 -11.428 1.00 13.12 C ATOM 1250 O ARG A 79 9.247 6.418 -12.479 1.00 2.40 O ATOM 1251 CB ARG A 79 9.117 3.419 -12.232 1.00 45.11 C ATOM 1252 CG ARG A 79 9.526 1.969 -12.047 1.00 50.14 C ATOM 1253 CD ARG A 79 8.673 1.037 -12.894 1.00 5.43 C ATOM 1254 NE ARG A 79 7.247 1.350 -12.780 1.00 51.32 N ATOM 1255 CZ ARG A 79 6.268 0.576 -13.254 1.00 23.54 C ATOM 1256 NH1 ARG A 79 6.548 -0.582 -13.836 1.00 3.33 N ATOM 1257 NH2 ARG A 79 5.003 0.963 -13.136 1.00 12.42 N ATOM 0 H ARG A 79 9.003 3.853 -9.528 1.00 43.31 H new ATOM 0 HA ARG A 79 10.917 4.482 -11.693 1.00 72.23 H new ATOM 0 HB2 ARG A 79 8.052 3.515 -12.023 1.00 45.11 H new ATOM 0 HB3 ARG A 79 9.263 3.697 -13.276 1.00 45.11 H new ATOM 0 HG2 ARG A 79 10.575 1.849 -12.316 1.00 50.14 H new ATOM 0 HG3 ARG A 79 9.433 1.695 -10.996 1.00 50.14 H new ATOM 0 HD2 ARG A 79 8.979 1.112 -13.937 1.00 5.43 H new ATOM 0 HD3 ARG A 79 8.845 0.006 -12.585 1.00 5.43 H new ATOM 0 HE ARG A 79 6.985 2.215 -12.308 1.00 51.32 H new ATOM 0 HH11 ARG A 79 7.517 -0.887 -13.924 1.00 3.33 H new ATOM 0 HH12 ARG A 79 5.794 -1.168 -14.196 1.00 3.33 H new ATOM 0 HH21 ARG A 79 4.781 1.850 -12.684 1.00 12.42 H new ATOM 0 HH22 ARG A 79 4.253 0.373 -13.497 1.00 12.42 H new ATOM 1271 N GLY A 80 8.638 6.239 -10.324 1.00 41.34 N ATOM 1272 CA GLY A 80 7.934 7.510 -10.350 1.00 14.02 C ATOM 1273 C GLY A 80 7.489 7.973 -8.975 1.00 31.21 C ATOM 1274 O GLY A 80 8.084 7.601 -7.962 1.00 30.53 O ATOM 0 H GLY A 80 8.634 5.759 -9.424 1.00 41.34 H new ATOM 0 HA2 GLY A 80 8.582 8.268 -10.790 1.00 14.02 H new ATOM 0 HA3 GLY A 80 7.061 7.422 -10.997 1.00 14.02 H new ATOM 1278 N ILE A 81 6.426 8.774 -8.944 1.00 1.43 N ATOM 1279 CA ILE A 81 5.932 9.353 -7.700 1.00 63.30 C ATOM 1280 C ILE A 81 4.844 8.467 -7.073 1.00 54.22 C ATOM 1281 O ILE A 81 3.640 8.656 -7.259 1.00 22.22 O ATOM 1282 CB ILE A 81 5.433 10.809 -7.911 1.00 0.44 C ATOM 1283 CG1 ILE A 81 4.798 11.373 -6.633 1.00 71.03 C ATOM 1284 CG2 ILE A 81 4.465 10.895 -9.080 1.00 31.34 C ATOM 1285 CD1 ILE A 81 5.775 11.532 -5.486 1.00 3.20 C ATOM 0 H ILE A 81 5.889 9.037 -9.771 1.00 1.43 H new ATOM 0 HA ILE A 81 6.765 9.397 -6.999 1.00 63.30 H new ATOM 0 HB ILE A 81 6.303 11.421 -8.149 1.00 0.44 H new ATOM 0 HG12 ILE A 81 4.353 12.343 -6.856 1.00 71.03 H new ATOM 0 HG13 ILE A 81 3.988 10.715 -6.320 1.00 71.03 H new ATOM 0 HG21 ILE A 81 4.133 11.926 -9.203 1.00 31.34 H new ATOM 0 HG22 ILE A 81 4.964 10.564 -9.991 1.00 31.34 H new ATOM 0 HG23 ILE A 81 3.603 10.257 -8.886 1.00 31.34 H new ATOM 0 HD11 ILE A 81 5.254 11.935 -4.618 1.00 3.20 H new ATOM 0 HD12 ILE A 81 6.202 10.561 -5.234 1.00 3.20 H new ATOM 0 HD13 ILE A 81 6.573 12.214 -5.780 1.00 3.20 H new ATOM 1297 N VAL A 82 5.301 7.471 -6.352 1.00 75.05 N ATOM 1298 CA VAL A 82 4.427 6.536 -5.673 1.00 72.51 C ATOM 1299 C VAL A 82 5.136 6.015 -4.438 1.00 44.12 C ATOM 1300 O VAL A 82 6.359 5.906 -4.444 1.00 30.31 O ATOM 1301 CB VAL A 82 4.007 5.371 -6.616 1.00 43.02 C ATOM 1302 CG1 VAL A 82 5.149 4.981 -7.540 1.00 2.21 C ATOM 1303 CG2 VAL A 82 3.536 4.155 -5.830 1.00 25.23 C ATOM 0 H VAL A 82 6.294 7.283 -6.217 1.00 75.05 H new ATOM 0 HA VAL A 82 3.511 7.047 -5.376 1.00 72.51 H new ATOM 0 HB VAL A 82 3.173 5.731 -7.218 1.00 43.02 H new ATOM 0 HG11 VAL A 82 4.830 4.165 -8.189 1.00 2.21 H new ATOM 0 HG12 VAL A 82 5.433 5.839 -8.149 1.00 2.21 H new ATOM 0 HG13 VAL A 82 6.004 4.659 -6.946 1.00 2.21 H new ATOM 0 HG21 VAL A 82 3.251 3.362 -6.522 1.00 25.23 H new ATOM 0 HG22 VAL A 82 4.342 3.803 -5.187 1.00 25.23 H new ATOM 0 HG23 VAL A 82 2.677 4.428 -5.218 1.00 25.23 H new ATOM 1313 N PHE A 83 4.389 5.755 -3.367 1.00 72.34 N ATOM 1314 CA PHE A 83 4.982 5.258 -2.128 1.00 41.22 C ATOM 1315 C PHE A 83 4.039 4.306 -1.391 1.00 61.24 C ATOM 1316 O PHE A 83 3.014 3.865 -1.925 1.00 41.13 O ATOM 1317 CB PHE A 83 5.371 6.416 -1.198 1.00 12.10 C ATOM 1318 CG PHE A 83 6.487 7.282 -1.717 1.00 12.12 C ATOM 1319 CD1 PHE A 83 7.804 6.864 -1.624 1.00 45.42 C ATOM 1320 CD2 PHE A 83 6.218 8.512 -2.295 1.00 61.33 C ATOM 1321 CE1 PHE A 83 8.833 7.653 -2.102 1.00 32.21 C ATOM 1322 CE2 PHE A 83 7.243 9.307 -2.776 1.00 41.43 C ATOM 1323 CZ PHE A 83 8.551 8.877 -2.678 1.00 71.40 C ATOM 0 H PHE A 83 3.377 5.879 -3.332 1.00 72.34 H new ATOM 0 HA PHE A 83 5.880 4.707 -2.408 1.00 41.22 H new ATOM 0 HB2 PHE A 83 4.493 7.039 -1.027 1.00 12.10 H new ATOM 0 HB3 PHE A 83 5.664 6.007 -0.231 1.00 12.10 H new ATOM 0 HD1 PHE A 83 8.030 5.909 -1.172 1.00 45.42 H new ATOM 0 HD2 PHE A 83 5.196 8.854 -2.371 1.00 61.33 H new ATOM 0 HE1 PHE A 83 9.855 7.314 -2.026 1.00 32.21 H new ATOM 0 HE2 PHE A 83 7.020 10.262 -3.227 1.00 41.43 H new ATOM 0 HZ PHE A 83 9.353 9.497 -3.051 1.00 71.40 H new ATOM 1333 N ALA A 84 4.407 3.977 -0.165 1.00 71.30 N ATOM 1334 CA ALA A 84 3.593 3.127 0.687 1.00 10.24 C ATOM 1335 C ALA A 84 3.874 3.442 2.143 1.00 43.53 C ATOM 1336 O ALA A 84 5.002 3.777 2.500 1.00 75.52 O ATOM 1337 CB ALA A 84 3.875 1.663 0.400 1.00 33.20 C ATOM 0 H ALA A 84 5.276 4.290 0.267 1.00 71.30 H new ATOM 0 HA ALA A 84 2.541 3.321 0.478 1.00 10.24 H new ATOM 0 HB1 ALA A 84 3.257 1.040 1.047 1.00 33.20 H new ATOM 0 HB2 ALA A 84 3.643 1.445 -0.643 1.00 33.20 H new ATOM 0 HB3 ALA A 84 4.927 1.451 0.590 1.00 33.20 H new ATOM 1343 N MET A 85 2.856 3.348 2.981 1.00 44.52 N ATOM 1344 CA MET A 85 3.023 3.647 4.393 1.00 73.05 C ATOM 1345 C MET A 85 2.246 2.686 5.278 1.00 23.40 C ATOM 1346 O MET A 85 1.029 2.523 5.136 1.00 31.31 O ATOM 1347 CB MET A 85 2.611 5.082 4.699 1.00 54.45 C ATOM 1348 CG MET A 85 1.439 5.571 3.865 1.00 52.03 C ATOM 1349 SD MET A 85 0.789 7.148 4.440 1.00 43.22 S ATOM 1350 CE MET A 85 -0.114 6.601 5.877 1.00 4.41 C ATOM 0 H MET A 85 1.912 3.069 2.712 1.00 44.52 H new ATOM 0 HA MET A 85 4.083 3.525 4.616 1.00 73.05 H new ATOM 0 HB2 MET A 85 2.352 5.159 5.755 1.00 54.45 H new ATOM 0 HB3 MET A 85 3.464 5.739 4.532 1.00 54.45 H new ATOM 0 HG2 MET A 85 1.753 5.669 2.826 1.00 52.03 H new ATOM 0 HG3 MET A 85 0.645 4.825 3.889 1.00 52.03 H new ATOM 0 HE1 MET A 85 -0.613 7.453 6.339 1.00 4.41 H new ATOM 0 HE2 MET A 85 -0.858 5.862 5.580 1.00 4.41 H new ATOM 0 HE3 MET A 85 0.576 6.154 6.592 1.00 4.41 H new ATOM 1360 N ALA A 86 2.967 2.085 6.209 1.00 54.12 N ATOM 1361 CA ALA A 86 2.404 1.145 7.161 1.00 72.02 C ATOM 1362 C ALA A 86 2.489 1.712 8.579 1.00 30.32 C ATOM 1363 O ALA A 86 2.749 2.911 8.762 1.00 20.44 O ATOM 1364 CB ALA A 86 3.139 -0.183 7.059 1.00 11.34 C ATOM 0 H ALA A 86 3.969 2.238 6.326 1.00 54.12 H new ATOM 0 HA ALA A 86 1.352 0.980 6.929 1.00 72.02 H new ATOM 0 HB1 ALA A 86 2.716 -0.889 7.774 1.00 11.34 H new ATOM 0 HB2 ALA A 86 3.033 -0.581 6.050 1.00 11.34 H new ATOM 0 HB3 ALA A 86 4.196 -0.032 7.280 1.00 11.34 H new ATOM 1370 N ARG A 87 2.250 0.866 9.575 1.00 70.35 N ATOM 1371 CA ARG A 87 2.289 1.294 10.969 1.00 41.42 C ATOM 1372 C ARG A 87 2.786 0.178 11.881 1.00 53.42 C ATOM 1373 O ARG A 87 3.131 -0.901 11.415 1.00 74.42 O ATOM 1374 CB ARG A 87 0.898 1.732 11.430 1.00 4.51 C ATOM 1375 CG ARG A 87 -0.175 0.670 11.235 1.00 71.12 C ATOM 1376 CD ARG A 87 -1.436 1.002 12.012 1.00 12.52 C ATOM 1377 NE ARG A 87 -1.889 2.370 11.766 1.00 2.10 N ATOM 1378 CZ ARG A 87 -2.613 3.078 12.631 1.00 21.24 C ATOM 1379 NH1 ARG A 87 -3.018 2.522 13.763 1.00 22.25 N ATOM 1380 NH2 ARG A 87 -2.941 4.335 12.357 1.00 51.54 N ATOM 0 H ARG A 87 2.027 -0.121 9.443 1.00 70.35 H new ATOM 0 HA ARG A 87 2.982 2.133 11.033 1.00 41.42 H new ATOM 0 HB2 ARG A 87 0.943 2.001 12.485 1.00 4.51 H new ATOM 0 HB3 ARG A 87 0.610 2.631 10.884 1.00 4.51 H new ATOM 0 HG2 ARG A 87 -0.413 0.582 10.175 1.00 71.12 H new ATOM 0 HG3 ARG A 87 0.208 -0.298 11.557 1.00 71.12 H new ATOM 0 HD2 ARG A 87 -2.226 0.304 11.736 1.00 12.52 H new ATOM 0 HD3 ARG A 87 -1.251 0.868 13.078 1.00 12.52 H new ATOM 0 HE ARG A 87 -1.636 2.808 10.880 1.00 2.10 H new ATOM 0 HH11 ARG A 87 -2.775 1.553 13.971 1.00 22.25 H new ATOM 0 HH12 ARG A 87 -3.573 3.063 14.427 1.00 22.25 H new ATOM 0 HH21 ARG A 87 -2.638 4.762 11.481 1.00 51.54 H new ATOM 0 HH22 ARG A 87 -3.496 4.874 13.022 1.00 51.54 H new ATOM 1394 N VAL A 88 2.830 0.487 13.181 1.00 62.24 N ATOM 1395 CA VAL A 88 3.089 -0.481 14.265 1.00 13.52 C ATOM 1396 C VAL A 88 4.296 -1.399 14.017 1.00 53.02 C ATOM 1397 O VAL A 88 5.110 -1.162 13.133 1.00 41.13 O ATOM 1398 CB VAL A 88 1.835 -1.338 14.590 1.00 73.01 C ATOM 1399 CG1 VAL A 88 0.641 -0.444 14.888 1.00 55.14 C ATOM 1400 CG2 VAL A 88 1.504 -2.318 13.473 1.00 61.11 C ATOM 0 H VAL A 88 2.684 1.437 13.522 1.00 62.24 H new ATOM 0 HA VAL A 88 3.337 0.139 15.127 1.00 13.52 H new ATOM 0 HB VAL A 88 2.067 -1.927 15.477 1.00 73.01 H new ATOM 0 HG11 VAL A 88 -0.229 -1.061 15.113 1.00 55.14 H new ATOM 0 HG12 VAL A 88 0.867 0.191 15.744 1.00 55.14 H new ATOM 0 HG13 VAL A 88 0.428 0.180 14.020 1.00 55.14 H new ATOM 0 HG21 VAL A 88 0.620 -2.895 13.745 1.00 61.11 H new ATOM 0 HG22 VAL A 88 1.309 -1.768 12.552 1.00 61.11 H new ATOM 0 HG23 VAL A 88 2.346 -2.994 13.321 1.00 61.11 H new ATOM 1410 N LYS A 89 4.409 -2.432 14.846 1.00 15.32 N ATOM 1411 CA LYS A 89 5.532 -3.368 14.798 1.00 12.40 C ATOM 1412 C LYS A 89 5.315 -4.455 13.744 1.00 35.01 C ATOM 1413 O LYS A 89 6.256 -4.918 13.102 1.00 31.22 O ATOM 1414 CB LYS A 89 5.684 -4.025 16.173 1.00 14.52 C ATOM 1415 CG LYS A 89 4.382 -4.642 16.659 1.00 73.01 C ATOM 1416 CD LYS A 89 4.519 -5.332 17.998 1.00 31.02 C ATOM 1417 CE LYS A 89 3.169 -5.859 18.462 1.00 32.43 C ATOM 1418 NZ LYS A 89 3.270 -6.605 19.743 1.00 1.14 N ATOM 0 H LYS A 89 3.725 -2.646 15.572 1.00 15.32 H new ATOM 0 HA LYS A 89 6.431 -2.813 14.530 1.00 12.40 H new ATOM 0 HB2 LYS A 89 6.453 -4.795 16.123 1.00 14.52 H new ATOM 0 HB3 LYS A 89 6.024 -3.282 16.894 1.00 14.52 H new ATOM 0 HG2 LYS A 89 3.623 -3.863 16.734 1.00 73.01 H new ATOM 0 HG3 LYS A 89 4.029 -5.361 15.920 1.00 73.01 H new ATOM 0 HD2 LYS A 89 5.230 -6.154 17.920 1.00 31.02 H new ATOM 0 HD3 LYS A 89 4.917 -4.635 18.735 1.00 31.02 H new ATOM 0 HE2 LYS A 89 2.477 -5.026 18.582 1.00 32.43 H new ATOM 0 HE3 LYS A 89 2.752 -6.512 17.695 1.00 32.43 H new ATOM 0 HZ1 LYS A 89 2.328 -6.946 20.022 1.00 1.14 H new ATOM 0 HZ2 LYS A 89 3.910 -7.416 19.623 1.00 1.14 H new ATOM 0 HZ3 LYS A 89 3.643 -5.976 20.482 1.00 1.14 H new ATOM 1432 N GLN A 90 4.067 -4.855 13.584 1.00 4.45 N ATOM 1433 CA GLN A 90 3.702 -5.974 12.721 1.00 14.34 C ATOM 1434 C GLN A 90 3.961 -5.668 11.246 1.00 14.24 C ATOM 1435 O GLN A 90 4.674 -6.416 10.559 1.00 71.22 O ATOM 1436 CB GLN A 90 2.227 -6.294 12.953 1.00 72.20 C ATOM 1437 CG GLN A 90 1.552 -7.017 11.805 1.00 34.22 C ATOM 1438 CD GLN A 90 0.063 -6.785 11.827 1.00 63.51 C ATOM 1439 OE1 GLN A 90 -0.701 -7.585 12.368 1.00 34.32 O ATOM 1440 NE2 GLN A 90 -0.345 -5.642 11.308 1.00 14.20 N ATOM 0 H GLN A 90 3.272 -4.415 14.048 1.00 4.45 H new ATOM 0 HA GLN A 90 4.322 -6.834 12.973 1.00 14.34 H new ATOM 0 HB2 GLN A 90 2.138 -6.904 13.852 1.00 72.20 H new ATOM 0 HB3 GLN A 90 1.692 -5.364 13.144 1.00 72.20 H new ATOM 0 HG2 GLN A 90 1.965 -6.670 10.858 1.00 34.22 H new ATOM 0 HG3 GLN A 90 1.759 -8.085 11.870 1.00 34.22 H new ATOM 0 HE21 GLN A 90 0.327 -5.012 10.870 1.00 14.20 H new ATOM 0 HE22 GLN A 90 -1.332 -5.389 11.345 1.00 14.20 H new ATOM 1449 N ASP A 91 3.376 -4.569 10.780 1.00 14.42 N ATOM 1450 CA ASP A 91 3.464 -4.170 9.379 1.00 64.21 C ATOM 1451 C ASP A 91 4.907 -4.140 8.923 1.00 2.22 C ATOM 1452 O ASP A 91 5.278 -4.811 7.960 1.00 63.04 O ATOM 1453 CB ASP A 91 2.863 -2.781 9.163 1.00 73.14 C ATOM 1454 CG ASP A 91 1.431 -2.629 9.642 1.00 21.41 C ATOM 1455 OD1 ASP A 91 0.958 -3.471 10.433 1.00 24.24 O ATOM 1456 OD2 ASP A 91 0.787 -1.630 9.248 1.00 13.05 O ATOM 0 H ASP A 91 2.830 -3.932 11.360 1.00 14.42 H new ATOM 0 HA ASP A 91 2.904 -4.904 8.799 1.00 64.21 H new ATOM 0 HB2 ASP A 91 3.484 -2.047 9.677 1.00 73.14 H new ATOM 0 HB3 ASP A 91 2.903 -2.544 8.100 1.00 73.14 H new ATOM 1461 N LEU A 92 5.721 -3.371 9.641 1.00 13.32 N ATOM 1462 CA LEU A 92 7.118 -3.190 9.280 1.00 22.14 C ATOM 1463 C LEU A 92 7.844 -4.527 9.206 1.00 4.20 C ATOM 1464 O LEU A 92 8.719 -4.713 8.371 1.00 42.30 O ATOM 1465 CB LEU A 92 7.821 -2.235 10.264 1.00 52.55 C ATOM 1466 CG LEU A 92 7.915 -2.692 11.729 1.00 61.31 C ATOM 1467 CD1 LEU A 92 9.098 -3.624 11.950 1.00 13.31 C ATOM 1468 CD2 LEU A 92 8.018 -1.497 12.657 1.00 5.31 C ATOM 0 H LEU A 92 5.433 -2.863 10.478 1.00 13.32 H new ATOM 0 HA LEU A 92 7.151 -2.738 8.289 1.00 22.14 H new ATOM 0 HB2 LEU A 92 8.832 -2.056 9.899 1.00 52.55 H new ATOM 0 HB3 LEU A 92 7.299 -1.278 10.240 1.00 52.55 H new ATOM 0 HG LEU A 92 7.002 -3.243 11.957 1.00 61.31 H new ATOM 0 HD11 LEU A 92 9.132 -3.926 12.997 1.00 13.31 H new ATOM 0 HD12 LEU A 92 8.988 -4.507 11.321 1.00 13.31 H new ATOM 0 HD13 LEU A 92 10.022 -3.107 11.691 1.00 13.31 H new ATOM 0 HD21 LEU A 92 8.083 -1.842 13.689 1.00 5.31 H new ATOM 0 HD22 LEU A 92 8.909 -0.920 12.410 1.00 5.31 H new ATOM 0 HD23 LEU A 92 7.135 -0.868 12.540 1.00 5.31 H new ATOM 1480 N ARG A 93 7.459 -5.469 10.056 1.00 32.41 N ATOM 1481 CA ARG A 93 8.153 -6.741 10.120 1.00 2.31 C ATOM 1482 C ARG A 93 7.964 -7.543 8.847 1.00 2.03 C ATOM 1483 O ARG A 93 8.935 -7.834 8.153 1.00 33.54 O ATOM 1484 CB ARG A 93 7.724 -7.551 11.344 1.00 2.54 C ATOM 1485 CG ARG A 93 8.453 -7.131 12.604 1.00 21.52 C ATOM 1486 CD ARG A 93 8.094 -7.996 13.796 1.00 10.41 C ATOM 1487 NE ARG A 93 9.008 -7.758 14.912 1.00 33.44 N ATOM 1488 CZ ARG A 93 8.856 -8.262 16.134 1.00 22.33 C ATOM 1489 NH1 ARG A 93 7.793 -8.995 16.435 1.00 31.22 N ATOM 1490 NH2 ARG A 93 9.772 -8.013 17.061 1.00 22.21 N ATOM 0 H ARG A 93 6.677 -5.375 10.704 1.00 32.41 H new ATOM 0 HA ARG A 93 9.216 -6.523 10.220 1.00 2.31 H new ATOM 0 HB2 ARG A 93 6.651 -7.435 11.494 1.00 2.54 H new ATOM 0 HB3 ARG A 93 7.908 -8.609 11.158 1.00 2.54 H new ATOM 0 HG2 ARG A 93 9.528 -7.182 12.432 1.00 21.52 H new ATOM 0 HG3 ARG A 93 8.215 -6.091 12.828 1.00 21.52 H new ATOM 0 HD2 ARG A 93 7.071 -7.785 14.108 1.00 10.41 H new ATOM 0 HD3 ARG A 93 8.129 -9.047 13.510 1.00 10.41 H new ATOM 0 HE ARG A 93 9.819 -7.164 14.742 1.00 33.44 H new ATOM 0 HH11 ARG A 93 7.082 -9.177 15.727 1.00 31.22 H new ATOM 0 HH12 ARG A 93 7.686 -9.377 17.375 1.00 31.22 H new ATOM 0 HH21 ARG A 93 10.584 -7.439 16.834 1.00 22.21 H new ATOM 0 HH22 ARG A 93 9.664 -8.395 18.000 1.00 22.21 H new ATOM 1504 N GLU A 94 6.730 -7.878 8.505 1.00 61.41 N ATOM 1505 CA GLU A 94 6.520 -8.754 7.359 1.00 62.31 C ATOM 1506 C GLU A 94 6.589 -7.999 6.031 1.00 53.32 C ATOM 1507 O GLU A 94 6.974 -8.576 5.016 1.00 24.24 O ATOM 1508 CB GLU A 94 5.221 -9.558 7.489 1.00 31.40 C ATOM 1509 CG GLU A 94 3.972 -8.741 7.750 1.00 23.33 C ATOM 1510 CD GLU A 94 2.775 -9.637 8.010 1.00 70.35 C ATOM 1511 OE1 GLU A 94 2.557 -10.016 9.181 1.00 44.45 O ATOM 1512 OE2 GLU A 94 2.072 -9.994 7.040 1.00 34.14 O ATOM 0 H GLU A 94 5.884 -7.570 8.984 1.00 61.41 H new ATOM 0 HA GLU A 94 7.344 -9.468 7.356 1.00 62.31 H new ATOM 0 HB2 GLU A 94 5.075 -10.130 6.573 1.00 31.40 H new ATOM 0 HB3 GLU A 94 5.339 -10.278 8.299 1.00 31.40 H new ATOM 0 HG2 GLU A 94 4.134 -8.088 8.608 1.00 23.33 H new ATOM 0 HG3 GLU A 94 3.769 -8.098 6.894 1.00 23.33 H new ATOM 1519 N SER A 95 6.250 -6.712 6.033 1.00 34.44 N ATOM 1520 CA SER A 95 6.336 -5.907 4.812 1.00 13.35 C ATOM 1521 C SER A 95 7.796 -5.710 4.402 1.00 51.14 C ATOM 1522 O SER A 95 8.159 -5.859 3.234 1.00 11.22 O ATOM 1523 CB SER A 95 5.648 -4.551 5.019 1.00 55.01 C ATOM 1524 OG SER A 95 5.763 -3.723 3.874 1.00 22.14 O ATOM 0 H SER A 95 5.917 -6.207 6.854 1.00 34.44 H new ATOM 0 HA SER A 95 5.823 -6.437 4.010 1.00 13.35 H new ATOM 0 HB2 SER A 95 4.594 -4.709 5.249 1.00 55.01 H new ATOM 0 HB3 SER A 95 6.090 -4.047 5.878 1.00 55.01 H new ATOM 0 HG SER A 95 5.635 -4.262 3.066 1.00 22.14 H new ATOM 1530 N LEU A 96 8.638 -5.396 5.375 1.00 74.01 N ATOM 1531 CA LEU A 96 10.055 -5.189 5.117 1.00 23.22 C ATOM 1532 C LEU A 96 10.745 -6.508 4.795 1.00 41.21 C ATOM 1533 O LEU A 96 11.634 -6.555 3.944 1.00 63.51 O ATOM 1534 CB LEU A 96 10.718 -4.527 6.321 1.00 15.30 C ATOM 1535 CG LEU A 96 10.787 -2.995 6.288 1.00 11.15 C ATOM 1536 CD1 LEU A 96 11.607 -2.528 5.102 1.00 72.40 C ATOM 1537 CD2 LEU A 96 9.394 -2.384 6.245 1.00 53.11 C ATOM 0 H LEU A 96 8.365 -5.279 6.351 1.00 74.01 H new ATOM 0 HA LEU A 96 10.154 -4.532 4.253 1.00 23.22 H new ATOM 0 HB2 LEU A 96 10.179 -4.828 7.219 1.00 15.30 H new ATOM 0 HB3 LEU A 96 11.732 -4.915 6.412 1.00 15.30 H new ATOM 0 HG LEU A 96 11.274 -2.660 7.204 1.00 11.15 H new ATOM 0 HD11 LEU A 96 11.646 -1.439 5.093 1.00 72.40 H new ATOM 0 HD12 LEU A 96 12.618 -2.927 5.179 1.00 72.40 H new ATOM 0 HD13 LEU A 96 11.147 -2.882 4.179 1.00 72.40 H new ATOM 0 HD21 LEU A 96 9.474 -1.297 6.222 1.00 53.11 H new ATOM 0 HD22 LEU A 96 8.873 -2.728 5.352 1.00 53.11 H new ATOM 0 HD23 LEU A 96 8.836 -2.688 7.130 1.00 53.11 H new ATOM 1549 N ARG A 97 10.325 -7.574 5.467 1.00 71.11 N ATOM 1550 CA ARG A 97 10.883 -8.899 5.224 1.00 41.23 C ATOM 1551 C ARG A 97 10.382 -9.471 3.903 1.00 20.45 C ATOM 1552 O ARG A 97 10.933 -10.443 3.391 1.00 35.50 O ATOM 1553 CB ARG A 97 10.542 -9.849 6.375 1.00 61.14 C ATOM 1554 CG ARG A 97 11.345 -9.586 7.640 1.00 35.03 C ATOM 1555 CD ARG A 97 12.823 -9.882 7.437 1.00 14.00 C ATOM 1556 NE ARG A 97 13.064 -11.302 7.184 1.00 61.32 N ATOM 1557 CZ ARG A 97 14.116 -11.970 7.649 1.00 72.22 C ATOM 1558 NH1 ARG A 97 15.062 -11.334 8.328 1.00 61.14 N ATOM 1559 NH2 ARG A 97 14.234 -13.272 7.422 1.00 13.30 N ATOM 0 H ARG A 97 9.600 -7.547 6.184 1.00 71.11 H new ATOM 0 HA ARG A 97 11.967 -8.798 5.164 1.00 41.23 H new ATOM 0 HB2 ARG A 97 9.480 -9.762 6.604 1.00 61.14 H new ATOM 0 HB3 ARG A 97 10.715 -10.875 6.051 1.00 61.14 H new ATOM 0 HG2 ARG A 97 11.220 -8.546 7.941 1.00 35.03 H new ATOM 0 HG3 ARG A 97 10.958 -10.202 8.452 1.00 35.03 H new ATOM 0 HD2 ARG A 97 13.199 -9.295 6.599 1.00 14.00 H new ATOM 0 HD3 ARG A 97 13.380 -9.571 8.320 1.00 14.00 H new ATOM 0 HE ARG A 97 12.385 -11.810 6.617 1.00 61.32 H new ATOM 0 HH11 ARG A 97 14.983 -10.331 8.494 1.00 61.14 H new ATOM 0 HH12 ARG A 97 15.868 -11.848 8.684 1.00 61.14 H new ATOM 0 HH21 ARG A 97 13.517 -13.764 6.889 1.00 13.30 H new ATOM 0 HH22 ARG A 97 15.042 -13.781 7.780 1.00 13.30 H new ATOM 1573 N ALA A 98 9.328 -8.874 3.368 1.00 51.04 N ATOM 1574 CA ALA A 98 8.820 -9.251 2.060 1.00 23.33 C ATOM 1575 C ALA A 98 9.698 -8.670 0.958 1.00 55.42 C ATOM 1576 O ALA A 98 10.395 -9.402 0.254 1.00 72.21 O ATOM 1577 CB ALA A 98 7.385 -8.778 1.901 1.00 3.13 C ATOM 0 H ALA A 98 8.807 -8.124 3.822 1.00 51.04 H new ATOM 0 HA ALA A 98 8.841 -10.338 1.977 1.00 23.33 H new ATOM 0 HB1 ALA A 98 7.014 -9.066 0.917 1.00 3.13 H new ATOM 0 HB2 ALA A 98 6.764 -9.235 2.671 1.00 3.13 H new ATOM 0 HB3 ALA A 98 7.346 -7.693 2.000 1.00 3.13 H new ATOM 1583 N ALA A 99 9.676 -7.346 0.833 1.00 12.55 N ATOM 1584 CA ALA A 99 10.447 -6.655 -0.196 1.00 21.10 C ATOM 1585 C ALA A 99 11.951 -6.788 0.059 1.00 24.31 C ATOM 1586 O ALA A 99 12.660 -7.446 -0.700 1.00 60.20 O ATOM 1587 CB ALA A 99 10.038 -5.188 -0.261 1.00 42.34 C ATOM 0 H ALA A 99 9.130 -6.728 1.434 1.00 12.55 H new ATOM 0 HA ALA A 99 10.232 -7.121 -1.157 1.00 21.10 H new ATOM 0 HB1 ALA A 99 10.619 -4.682 -1.032 1.00 42.34 H new ATOM 0 HB2 ALA A 99 8.977 -5.116 -0.501 1.00 42.34 H new ATOM 0 HB3 ALA A 99 10.225 -4.715 0.703 1.00 42.34 H new ATOM 1593 N SER A 100 12.421 -6.141 1.129 1.00 54.42 N ATOM 1594 CA SER A 100 13.817 -6.233 1.581 1.00 22.13 C ATOM 1595 C SER A 100 14.828 -5.561 0.633 1.00 1.33 C ATOM 1596 O SER A 100 15.969 -5.326 1.032 1.00 4.24 O ATOM 1597 CB SER A 100 14.210 -7.695 1.812 1.00 2.42 C ATOM 1598 OG SER A 100 13.421 -8.281 2.837 1.00 34.34 O ATOM 0 H SER A 100 11.843 -5.535 1.711 1.00 54.42 H new ATOM 0 HA SER A 100 13.861 -5.679 2.519 1.00 22.13 H new ATOM 0 HB2 SER A 100 14.087 -8.258 0.887 1.00 2.42 H new ATOM 0 HB3 SER A 100 15.264 -7.753 2.082 1.00 2.42 H new ATOM 0 HG SER A 100 12.717 -7.654 3.107 1.00 34.34 H new ATOM 1604 N LEU A 101 14.426 -5.225 -0.590 1.00 75.42 N ATOM 1605 CA LEU A 101 15.357 -4.652 -1.572 1.00 22.23 C ATOM 1606 C LEU A 101 15.639 -3.163 -1.296 1.00 40.52 C ATOM 1607 O LEU A 101 15.737 -2.344 -2.216 1.00 14.32 O ATOM 1608 CB LEU A 101 14.836 -4.853 -3.010 1.00 21.22 C ATOM 1609 CG LEU A 101 13.648 -3.984 -3.454 1.00 73.45 C ATOM 1610 CD1 LEU A 101 13.463 -4.078 -4.959 1.00 0.34 C ATOM 1611 CD2 LEU A 101 12.363 -4.393 -2.754 1.00 1.44 C ATOM 0 H LEU A 101 13.470 -5.336 -0.928 1.00 75.42 H new ATOM 0 HA LEU A 101 16.301 -5.187 -1.470 1.00 22.23 H new ATOM 0 HB2 LEU A 101 15.662 -4.672 -3.697 1.00 21.22 H new ATOM 0 HB3 LEU A 101 14.551 -5.899 -3.123 1.00 21.22 H new ATOM 0 HG LEU A 101 13.872 -2.954 -3.177 1.00 73.45 H new ATOM 0 HD11 LEU A 101 12.619 -3.458 -5.261 1.00 0.34 H new ATOM 0 HD12 LEU A 101 14.367 -3.729 -5.459 1.00 0.34 H new ATOM 0 HD13 LEU A 101 13.271 -5.114 -5.238 1.00 0.34 H new ATOM 0 HD21 LEU A 101 11.546 -3.757 -3.093 1.00 1.44 H new ATOM 0 HD22 LEU A 101 12.135 -5.433 -2.990 1.00 1.44 H new ATOM 0 HD23 LEU A 101 12.485 -4.284 -1.676 1.00 1.44 H new ATOM 1623 N LEU A 102 15.840 -2.837 -0.023 1.00 2.33 N ATOM 1624 CA LEU A 102 16.084 -1.460 0.402 1.00 10.41 C ATOM 1625 C LEU A 102 17.389 -0.928 -0.166 1.00 64.32 C ATOM 1626 O LEU A 102 17.621 0.277 -0.185 1.00 51.23 O ATOM 1627 CB LEU A 102 16.114 -1.370 1.927 1.00 32.35 C ATOM 1628 CG LEU A 102 14.816 -1.772 2.621 1.00 62.10 C ATOM 1629 CD1 LEU A 102 14.983 -1.697 4.129 1.00 45.53 C ATOM 1630 CD2 LEU A 102 13.666 -0.886 2.162 1.00 4.15 C ATOM 0 H LEU A 102 15.839 -3.514 0.740 1.00 2.33 H new ATOM 0 HA LEU A 102 15.267 -0.848 0.019 1.00 10.41 H new ATOM 0 HB2 LEU A 102 16.919 -2.005 2.298 1.00 32.35 H new ATOM 0 HB3 LEU A 102 16.359 -0.347 2.211 1.00 32.35 H new ATOM 0 HG LEU A 102 14.580 -2.801 2.349 1.00 62.10 H new ATOM 0 HD11 LEU A 102 14.050 -1.986 4.613 1.00 45.53 H new ATOM 0 HD12 LEU A 102 15.779 -2.373 4.441 1.00 45.53 H new ATOM 0 HD13 LEU A 102 15.240 -0.677 4.416 1.00 45.53 H new ATOM 0 HD21 LEU A 102 12.749 -1.188 2.668 1.00 4.15 H new ATOM 0 HD22 LEU A 102 13.888 0.153 2.404 1.00 4.15 H new ATOM 0 HD23 LEU A 102 13.536 -0.988 1.085 1.00 4.15 H new ATOM 1642 N ASP A 103 18.216 -1.835 -0.664 1.00 22.23 N ATOM 1643 CA ASP A 103 19.517 -1.480 -1.211 1.00 30.43 C ATOM 1644 C ASP A 103 19.375 -0.916 -2.625 1.00 41.12 C ATOM 1645 O ASP A 103 20.290 -1.029 -3.443 1.00 14.41 O ATOM 1646 CB ASP A 103 20.425 -2.713 -1.233 1.00 31.13 C ATOM 1647 CG ASP A 103 20.458 -3.452 0.091 1.00 62.53 C ATOM 1648 OD1 ASP A 103 21.024 -2.921 1.067 1.00 32.12 O ATOM 1649 OD2 ASP A 103 19.901 -4.568 0.159 1.00 21.31 O ATOM 0 H ASP A 103 18.006 -2.832 -0.700 1.00 22.23 H new ATOM 0 HA ASP A 103 19.961 -0.713 -0.576 1.00 30.43 H new ATOM 0 HB2 ASP A 103 20.085 -3.393 -2.014 1.00 31.13 H new ATOM 0 HB3 ASP A 103 21.437 -2.407 -1.496 1.00 31.13 H new ATOM 1654 N LYS A 104 18.224 -0.309 -2.910 1.00 71.21 N ATOM 1655 CA LYS A 104 17.966 0.292 -4.215 1.00 23.10 C ATOM 1656 C LYS A 104 16.681 1.116 -4.209 1.00 43.23 C ATOM 1657 O LYS A 104 16.619 2.167 -4.840 1.00 2.23 O ATOM 1658 CB LYS A 104 17.918 -0.775 -5.315 1.00 11.14 C ATOM 1659 CG LYS A 104 16.918 -1.886 -5.060 1.00 4.03 C ATOM 1660 CD LYS A 104 17.292 -3.165 -5.794 1.00 2.24 C ATOM 1661 CE LYS A 104 18.529 -3.823 -5.188 1.00 52.23 C ATOM 1662 NZ LYS A 104 19.793 -3.101 -5.510 1.00 52.04 N ATOM 0 H LYS A 104 17.452 -0.221 -2.249 1.00 71.21 H new ATOM 0 HA LYS A 104 18.794 0.967 -4.430 1.00 23.10 H new ATOM 0 HB2 LYS A 104 17.675 -0.293 -6.262 1.00 11.14 H new ATOM 0 HB3 LYS A 104 18.910 -1.213 -5.425 1.00 11.14 H new ATOM 0 HG2 LYS A 104 16.861 -2.085 -3.990 1.00 4.03 H new ATOM 0 HG3 LYS A 104 15.927 -1.562 -5.377 1.00 4.03 H new ATOM 0 HD2 LYS A 104 16.455 -3.862 -5.759 1.00 2.24 H new ATOM 0 HD3 LYS A 104 17.477 -2.941 -6.845 1.00 2.24 H new ATOM 0 HE2 LYS A 104 18.412 -3.874 -4.105 1.00 52.23 H new ATOM 0 HE3 LYS A 104 18.601 -4.849 -5.549 1.00 52.23 H new ATOM 0 HZ1 LYS A 104 20.568 -3.787 -5.611 1.00 52.04 H new ATOM 0 HZ2 LYS A 104 19.676 -2.577 -6.401 1.00 52.04 H new ATOM 0 HZ3 LYS A 104 20.017 -2.435 -4.743 1.00 52.04 H new ATOM 1676 N ILE A 105 15.648 0.646 -3.510 1.00 75.20 N ATOM 1677 CA ILE A 105 14.425 1.443 -3.394 1.00 52.14 C ATOM 1678 C ILE A 105 14.492 2.378 -2.194 1.00 73.02 C ATOM 1679 O ILE A 105 13.856 3.431 -2.189 1.00 3.20 O ATOM 1680 CB ILE A 105 13.125 0.587 -3.353 1.00 53.15 C ATOM 1681 CG1 ILE A 105 13.290 -0.690 -2.529 1.00 52.55 C ATOM 1682 CG2 ILE A 105 12.683 0.237 -4.760 1.00 41.21 C ATOM 1683 CD1 ILE A 105 13.180 -0.490 -1.042 1.00 20.03 C ATOM 0 H ILE A 105 15.629 -0.253 -3.029 1.00 75.20 H new ATOM 0 HA ILE A 105 14.370 2.038 -4.306 1.00 52.14 H new ATOM 0 HB ILE A 105 12.361 1.193 -2.866 1.00 53.15 H new ATOM 0 HG12 ILE A 105 12.535 -1.410 -2.843 1.00 52.55 H new ATOM 0 HG13 ILE A 105 14.262 -1.129 -2.753 1.00 52.55 H new ATOM 0 HG21 ILE A 105 11.773 -0.362 -4.717 1.00 41.21 H new ATOM 0 HG22 ILE A 105 12.489 1.153 -5.319 1.00 41.21 H new ATOM 0 HG23 ILE A 105 13.469 -0.332 -5.257 1.00 41.21 H new ATOM 0 HD11 ILE A 105 13.309 -1.447 -0.536 1.00 20.03 H new ATOM 0 HD12 ILE A 105 13.952 0.204 -0.710 1.00 20.03 H new ATOM 0 HD13 ILE A 105 12.198 -0.082 -0.801 1.00 20.03 H new ATOM 1695 N GLY A 106 15.295 1.995 -1.198 1.00 73.41 N ATOM 1696 CA GLY A 106 15.518 2.828 -0.023 1.00 40.42 C ATOM 1697 C GLY A 106 14.237 3.328 0.622 1.00 32.10 C ATOM 1698 O GLY A 106 13.522 2.563 1.273 1.00 62.23 O ATOM 0 H GLY A 106 15.801 1.110 -1.186 1.00 73.41 H new ATOM 0 HA2 GLY A 106 16.087 2.259 0.712 1.00 40.42 H new ATOM 0 HA3 GLY A 106 16.130 3.684 -0.306 1.00 40.42 H new ATOM 1702 N GLU A 107 13.958 4.617 0.442 1.00 3.31 N ATOM 1703 CA GLU A 107 12.738 5.233 0.957 1.00 23.44 C ATOM 1704 C GLU A 107 11.544 4.835 0.097 1.00 53.10 C ATOM 1705 O GLU A 107 10.956 5.651 -0.608 1.00 4.25 O ATOM 1706 CB GLU A 107 12.901 6.754 0.992 1.00 54.51 C ATOM 1707 CG GLU A 107 13.942 7.217 1.998 1.00 61.40 C ATOM 1708 CD GLU A 107 14.463 8.609 1.710 1.00 70.21 C ATOM 1709 OE1 GLU A 107 13.773 9.595 2.045 1.00 24.25 O ATOM 1710 OE2 GLU A 107 15.581 8.725 1.165 1.00 51.41 O ATOM 0 H GLU A 107 14.568 5.261 -0.062 1.00 3.31 H new ATOM 0 HA GLU A 107 12.558 4.880 1.972 1.00 23.44 H new ATOM 0 HB2 GLU A 107 13.181 7.107 -0.001 1.00 54.51 H new ATOM 0 HB3 GLU A 107 11.942 7.211 1.234 1.00 54.51 H new ATOM 0 HG2 GLU A 107 13.508 7.197 2.998 1.00 61.40 H new ATOM 0 HG3 GLU A 107 14.776 6.515 1.999 1.00 61.40 H new ATOM 1717 N ASP A 108 11.230 3.557 0.147 1.00 61.45 N ATOM 1718 CA ASP A 108 10.162 2.968 -0.647 1.00 25.22 C ATOM 1719 C ASP A 108 8.859 2.931 0.140 1.00 51.01 C ATOM 1720 O ASP A 108 7.895 3.621 -0.187 1.00 73.34 O ATOM 1721 CB ASP A 108 10.595 1.560 -1.057 1.00 51.42 C ATOM 1722 CG ASP A 108 9.464 0.669 -1.521 1.00 63.22 C ATOM 1723 OD1 ASP A 108 9.063 0.762 -2.694 1.00 62.52 O ATOM 1724 OD2 ASP A 108 8.992 -0.155 -0.709 1.00 25.12 O ATOM 0 H ASP A 108 11.713 2.887 0.746 1.00 61.45 H new ATOM 0 HA ASP A 108 9.982 3.573 -1.536 1.00 25.22 H new ATOM 0 HB2 ASP A 108 11.332 1.638 -1.857 1.00 51.42 H new ATOM 0 HB3 ASP A 108 11.092 1.085 -0.211 1.00 51.42 H new ATOM 1729 N HIS A 109 8.843 2.141 1.197 1.00 73.20 N ATOM 1730 CA HIS A 109 7.663 2.034 2.033 1.00 61.12 C ATOM 1731 C HIS A 109 7.997 2.381 3.478 1.00 14.11 C ATOM 1732 O HIS A 109 8.861 1.765 4.102 1.00 21.30 O ATOM 1733 CB HIS A 109 6.995 0.647 1.901 1.00 33.12 C ATOM 1734 CG HIS A 109 7.865 -0.547 2.180 1.00 40.15 C ATOM 1735 ND1 HIS A 109 7.374 -1.838 2.186 1.00 61.23 N ATOM 1736 CD2 HIS A 109 9.192 -0.657 2.437 1.00 41.23 C ATOM 1737 CE1 HIS A 109 8.353 -2.679 2.441 1.00 41.21 C ATOM 1738 NE2 HIS A 109 9.469 -1.991 2.599 1.00 31.13 N ATOM 0 H HIS A 109 9.631 1.566 1.496 1.00 73.20 H new ATOM 0 HA HIS A 109 6.930 2.761 1.683 1.00 61.12 H new ATOM 0 HB2 HIS A 109 6.142 0.613 2.579 1.00 33.12 H new ATOM 0 HB3 HIS A 109 6.601 0.553 0.889 1.00 33.12 H new ATOM 0 HD1 HIS A 109 6.402 -2.099 2.019 1.00 61.23 H new ATOM 0 HD2 HIS A 109 9.900 0.156 2.502 1.00 41.23 H new ATOM 0 HE1 HIS A 109 8.260 -3.753 2.510 1.00 41.21 H new ATOM 1747 N ILE A 110 7.317 3.394 3.988 1.00 4.33 N ATOM 1748 CA ILE A 110 7.603 3.948 5.303 1.00 32.10 C ATOM 1749 C ILE A 110 6.374 3.844 6.199 1.00 1.44 C ATOM 1750 O ILE A 110 5.530 2.973 6.000 1.00 73.35 O ATOM 1751 CB ILE A 110 8.054 5.433 5.217 1.00 43.03 C ATOM 1752 CG1 ILE A 110 6.957 6.315 4.582 1.00 32.33 C ATOM 1753 CG2 ILE A 110 9.359 5.546 4.438 1.00 14.53 C ATOM 1754 CD1 ILE A 110 6.965 6.334 3.065 1.00 3.14 C ATOM 0 H ILE A 110 6.549 3.857 3.502 1.00 4.33 H new ATOM 0 HA ILE A 110 8.421 3.367 5.729 1.00 32.10 H new ATOM 0 HB ILE A 110 8.223 5.796 6.231 1.00 43.03 H new ATOM 0 HG12 ILE A 110 5.983 5.964 4.923 1.00 32.33 H new ATOM 0 HG13 ILE A 110 7.073 7.336 4.946 1.00 32.33 H new ATOM 0 HG21 ILE A 110 9.662 6.592 4.386 1.00 14.53 H new ATOM 0 HG22 ILE A 110 10.134 4.968 4.941 1.00 14.53 H new ATOM 0 HG23 ILE A 110 9.215 5.159 3.429 1.00 14.53 H new ATOM 0 HD11 ILE A 110 6.162 6.978 2.705 1.00 3.14 H new ATOM 0 HD12 ILE A 110 7.923 6.716 2.711 1.00 3.14 H new ATOM 0 HD13 ILE A 110 6.816 5.322 2.688 1.00 3.14 H new ATOM 1766 N PHE A 111 6.281 4.722 7.188 1.00 33.12 N ATOM 1767 CA PHE A 111 5.142 4.743 8.086 1.00 65.12 C ATOM 1768 C PHE A 111 4.182 5.858 7.724 1.00 51.43 C ATOM 1769 O PHE A 111 4.445 6.648 6.818 1.00 25.14 O ATOM 1770 CB PHE A 111 5.603 4.898 9.533 1.00 43.21 C ATOM 1771 CG PHE A 111 5.913 3.589 10.190 1.00 11.54 C ATOM 1772 CD1 PHE A 111 6.605 2.608 9.504 1.00 32.23 C ATOM 1773 CD2 PHE A 111 5.493 3.333 11.483 1.00 23.11 C ATOM 1774 CE1 PHE A 111 6.882 1.396 10.095 1.00 12.53 C ATOM 1775 CE2 PHE A 111 5.765 2.122 12.082 1.00 35.45 C ATOM 1776 CZ PHE A 111 6.458 1.151 11.387 1.00 51.22 C ATOM 0 H PHE A 111 6.986 5.431 7.387 1.00 33.12 H new ATOM 0 HA PHE A 111 4.618 3.793 7.982 1.00 65.12 H new ATOM 0 HB2 PHE A 111 6.490 5.531 9.560 1.00 43.21 H new ATOM 0 HB3 PHE A 111 4.828 5.410 10.103 1.00 43.21 H new ATOM 0 HD1 PHE A 111 6.932 2.795 8.492 1.00 32.23 H new ATOM 0 HD2 PHE A 111 4.947 4.089 12.028 1.00 23.11 H new ATOM 0 HE1 PHE A 111 7.428 0.640 9.551 1.00 12.53 H new ATOM 0 HE2 PHE A 111 5.437 1.933 13.093 1.00 35.45 H new ATOM 0 HZ PHE A 111 6.669 0.200 11.853 1.00 51.22 H new ATOM 1786 N MET A 112 3.062 5.889 8.432 1.00 23.21 N ATOM 1787 CA MET A 112 2.041 6.917 8.250 1.00 53.11 C ATOM 1788 C MET A 112 2.638 8.325 8.271 1.00 33.02 C ATOM 1789 O MET A 112 3.121 8.784 9.305 1.00 72.13 O ATOM 1790 CB MET A 112 0.974 6.777 9.339 1.00 63.04 C ATOM 1791 CG MET A 112 -0.074 7.880 9.337 1.00 52.53 C ATOM 1792 SD MET A 112 -1.677 7.292 9.906 1.00 73.21 S ATOM 1793 CE MET A 112 -2.049 6.139 8.590 1.00 13.30 C ATOM 0 H MET A 112 2.833 5.202 9.150 1.00 23.21 H new ATOM 0 HA MET A 112 1.588 6.773 7.269 1.00 53.11 H new ATOM 0 HB2 MET A 112 0.473 5.816 9.219 1.00 63.04 H new ATOM 0 HB3 MET A 112 1.465 6.761 10.312 1.00 63.04 H new ATOM 0 HG2 MET A 112 0.260 8.697 9.976 1.00 52.53 H new ATOM 0 HG3 MET A 112 -0.173 8.283 8.329 1.00 52.53 H new ATOM 0 HE1 MET A 112 -2.792 5.420 8.935 1.00 13.30 H new ATOM 0 HE2 MET A 112 -2.442 6.682 7.731 1.00 13.30 H new ATOM 0 HE3 MET A 112 -1.140 5.611 8.301 1.00 13.30 H new ATOM 1803 N THR A 113 2.601 8.997 7.118 1.00 43.35 N ATOM 1804 CA THR A 113 3.142 10.347 7.007 1.00 63.12 C ATOM 1805 C THR A 113 2.832 10.984 5.640 1.00 51.01 C ATOM 1806 O THR A 113 2.737 12.208 5.534 1.00 4.43 O ATOM 1807 CB THR A 113 4.673 10.355 7.259 1.00 61.10 C ATOM 1808 OG1 THR A 113 5.128 11.686 7.513 1.00 42.15 O ATOM 1809 CG2 THR A 113 5.441 9.778 6.077 1.00 2.41 C ATOM 0 H THR A 113 2.204 8.628 6.254 1.00 43.35 H new ATOM 0 HA THR A 113 2.652 10.946 7.775 1.00 63.12 H new ATOM 0 HB THR A 113 4.861 9.728 8.131 1.00 61.10 H new ATOM 0 HG1 THR A 113 6.095 11.676 7.672 1.00 42.15 H new ATOM 0 HG21 THR A 113 6.509 9.801 6.291 1.00 2.41 H new ATOM 0 HG22 THR A 113 5.127 8.748 5.907 1.00 2.41 H new ATOM 0 HG23 THR A 113 5.237 10.372 5.186 1.00 2.41 H new ATOM 1817 N LEU A 114 2.646 10.159 4.598 1.00 31.24 N ATOM 1818 CA LEU A 114 2.447 10.667 3.231 1.00 53.21 C ATOM 1819 C LEU A 114 1.334 11.719 3.100 1.00 73.11 C ATOM 1820 O LEU A 114 1.535 12.704 2.393 1.00 71.21 O ATOM 1821 CB LEU A 114 2.197 9.538 2.224 1.00 71.12 C ATOM 1822 CG LEU A 114 3.445 8.901 1.634 1.00 24.35 C ATOM 1823 CD1 LEU A 114 3.991 7.836 2.563 1.00 71.32 C ATOM 1824 CD2 LEU A 114 3.135 8.326 0.264 1.00 71.43 C ATOM 0 H LEU A 114 2.629 9.142 4.675 1.00 31.24 H new ATOM 0 HA LEU A 114 3.388 11.164 2.997 1.00 53.21 H new ATOM 0 HB2 LEU A 114 1.610 8.761 2.714 1.00 71.12 H new ATOM 0 HB3 LEU A 114 1.590 9.930 1.408 1.00 71.12 H new ATOM 0 HG LEU A 114 4.213 9.666 1.520 1.00 24.35 H new ATOM 0 HD11 LEU A 114 4.884 7.392 2.123 1.00 71.32 H new ATOM 0 HD12 LEU A 114 4.245 8.286 3.523 1.00 71.32 H new ATOM 0 HD13 LEU A 114 3.238 7.063 2.713 1.00 71.32 H new ATOM 0 HD21 LEU A 114 4.034 7.872 -0.152 1.00 71.43 H new ATOM 0 HD22 LEU A 114 2.355 7.570 0.355 1.00 71.43 H new ATOM 0 HD23 LEU A 114 2.793 9.123 -0.396 1.00 71.43 H new ATOM 1836 N PRO A 115 0.145 11.534 3.735 1.00 51.50 N ATOM 1837 CA PRO A 115 -0.943 12.529 3.685 1.00 42.25 C ATOM 1838 C PRO A 115 -0.455 13.964 3.889 1.00 11.15 C ATOM 1839 O PRO A 115 -1.016 14.906 3.333 1.00 52.14 O ATOM 1840 CB PRO A 115 -1.860 12.108 4.833 1.00 12.31 C ATOM 1841 CG PRO A 115 -1.706 10.632 4.906 1.00 13.12 C ATOM 1842 CD PRO A 115 -0.258 10.339 4.507 1.00 41.32 C ATOM 0 HA PRO A 115 -1.428 12.541 2.709 1.00 42.25 H new ATOM 0 HB2 PRO A 115 -1.569 12.585 5.769 1.00 12.31 H new ATOM 0 HB3 PRO A 115 -2.895 12.391 4.639 1.00 12.31 H new ATOM 0 HG2 PRO A 115 -1.915 10.267 5.912 1.00 13.12 H new ATOM 0 HG3 PRO A 115 -2.404 10.133 4.234 1.00 13.12 H new ATOM 0 HD2 PRO A 115 0.376 10.195 5.382 1.00 41.32 H new ATOM 0 HD3 PRO A 115 -0.184 9.432 3.907 1.00 41.32 H new ATOM 1850 N THR A 116 0.587 14.126 4.690 1.00 63.25 N ATOM 1851 CA THR A 116 1.196 15.428 4.887 1.00 44.21 C ATOM 1852 C THR A 116 2.498 15.544 4.087 1.00 75.14 C ATOM 1853 O THR A 116 2.768 16.575 3.466 1.00 5.31 O ATOM 1854 CB THR A 116 1.475 15.683 6.381 1.00 33.24 C ATOM 1855 OG1 THR A 116 0.282 15.459 7.146 1.00 44.03 O ATOM 1856 CG2 THR A 116 1.965 17.107 6.608 1.00 11.12 C ATOM 0 H THR A 116 1.027 13.370 5.214 1.00 63.25 H new ATOM 0 HA THR A 116 0.495 16.182 4.529 1.00 44.21 H new ATOM 0 HB THR A 116 2.253 14.992 6.705 1.00 33.24 H new ATOM 0 HG1 THR A 116 0.467 15.621 8.095 1.00 44.03 H new ATOM 0 HG21 THR A 116 2.155 17.262 7.670 1.00 11.12 H new ATOM 0 HG22 THR A 116 2.886 17.269 6.048 1.00 11.12 H new ATOM 0 HG23 THR A 116 1.206 17.812 6.269 1.00 11.12 H new ATOM 1864 N ALA A 117 3.277 14.462 4.081 1.00 70.42 N ATOM 1865 CA ALA A 117 4.595 14.446 3.451 1.00 25.15 C ATOM 1866 C ALA A 117 4.533 14.729 1.951 1.00 31.24 C ATOM 1867 O ALA A 117 4.909 15.811 1.510 1.00 30.43 O ATOM 1868 CB ALA A 117 5.285 13.114 3.706 1.00 24.35 C ATOM 0 H ALA A 117 3.012 13.576 4.511 1.00 70.42 H new ATOM 0 HA ALA A 117 5.174 15.250 3.905 1.00 25.15 H new ATOM 0 HB1 ALA A 117 6.266 13.116 3.231 1.00 24.35 H new ATOM 0 HB2 ALA A 117 5.402 12.964 4.779 1.00 24.35 H new ATOM 0 HB3 ALA A 117 4.682 12.307 3.291 1.00 24.35 H new ATOM 1874 N VAL A 118 4.045 13.766 1.168 1.00 14.14 N ATOM 1875 CA VAL A 118 4.055 13.900 -0.288 1.00 71.34 C ATOM 1876 C VAL A 118 3.176 15.058 -0.735 1.00 42.03 C ATOM 1877 O VAL A 118 3.403 15.645 -1.795 1.00 23.21 O ATOM 1878 CB VAL A 118 3.625 12.602 -1.009 1.00 13.23 C ATOM 1879 CG1 VAL A 118 4.589 11.472 -0.684 1.00 52.15 C ATOM 1880 CG2 VAL A 118 2.197 12.217 -0.649 1.00 1.41 C ATOM 0 H VAL A 118 3.642 12.895 1.513 1.00 14.14 H new ATOM 0 HA VAL A 118 5.088 14.104 -0.570 1.00 71.34 H new ATOM 0 HB VAL A 118 3.655 12.785 -2.083 1.00 13.23 H new ATOM 0 HG11 VAL A 118 4.273 10.565 -1.199 1.00 52.15 H new ATOM 0 HG12 VAL A 118 5.592 11.744 -1.011 1.00 52.15 H new ATOM 0 HG13 VAL A 118 4.594 11.296 0.392 1.00 52.15 H new ATOM 0 HG21 VAL A 118 1.924 11.300 -1.172 1.00 1.41 H new ATOM 0 HG22 VAL A 118 2.124 12.057 0.427 1.00 1.41 H new ATOM 0 HG23 VAL A 118 1.519 13.018 -0.944 1.00 1.41 H new ATOM 1890 N GLN A 119 2.192 15.392 0.097 1.00 13.44 N ATOM 1891 CA GLN A 119 1.354 16.556 -0.131 1.00 32.25 C ATOM 1892 C GLN A 119 2.223 17.799 -0.269 1.00 12.32 C ATOM 1893 O GLN A 119 2.097 18.555 -1.224 1.00 44.45 O ATOM 1894 CB GLN A 119 0.381 16.744 1.032 1.00 71.44 C ATOM 1895 CG GLN A 119 -0.487 17.984 0.905 1.00 4.42 C ATOM 1896 CD GLN A 119 -1.279 18.295 2.166 1.00 52.24 C ATOM 1897 OE1 GLN A 119 -0.713 17.997 3.328 1.00 65.10 O flip ATOM 1898 NE2 GLN A 119 -2.385 18.827 2.094 1.00 35.21 N flip ATOM 0 H GLN A 119 1.958 14.866 0.939 1.00 13.44 H new ATOM 0 HA GLN A 119 0.787 16.403 -1.049 1.00 32.25 H new ATOM 0 HB2 GLN A 119 -0.262 15.867 1.102 1.00 71.44 H new ATOM 0 HB3 GLN A 119 0.946 16.800 1.962 1.00 71.44 H new ATOM 0 HG2 GLN A 119 0.145 18.838 0.661 1.00 4.42 H new ATOM 0 HG3 GLN A 119 -1.179 17.851 0.073 1.00 4.42 H new ATOM 0 HE21 GLN A 119 -2.789 19.042 1.182 1.00 35.21 H new ATOM 0 HE22 GLN A 119 -2.898 19.054 2.946 1.00 35.21 H new ATOM 1907 N ALA A 120 3.117 17.988 0.690 1.00 34.01 N ATOM 1908 CA ALA A 120 3.997 19.143 0.694 1.00 64.14 C ATOM 1909 C ALA A 120 5.182 18.940 -0.245 1.00 53.33 C ATOM 1910 O ALA A 120 5.751 19.905 -0.749 1.00 21.23 O ATOM 1911 CB ALA A 120 4.483 19.428 2.105 1.00 61.13 C ATOM 0 H ALA A 120 3.251 17.353 1.477 1.00 34.01 H new ATOM 0 HA ALA A 120 3.429 20.001 0.335 1.00 64.14 H new ATOM 0 HB1 ALA A 120 5.142 20.296 2.094 1.00 61.13 H new ATOM 0 HB2 ALA A 120 3.628 19.629 2.751 1.00 61.13 H new ATOM 0 HB3 ALA A 120 5.028 18.563 2.484 1.00 61.13 H new ATOM 1917 N PHE A 121 5.544 17.684 -0.483 1.00 4.13 N ATOM 1918 CA PHE A 121 6.700 17.362 -1.317 1.00 44.41 C ATOM 1919 C PHE A 121 6.544 17.877 -2.742 1.00 65.14 C ATOM 1920 O PHE A 121 7.378 18.646 -3.216 1.00 32.41 O ATOM 1921 CB PHE A 121 6.961 15.854 -1.333 1.00 74.43 C ATOM 1922 CG PHE A 121 7.588 15.334 -0.069 1.00 1.52 C ATOM 1923 CD1 PHE A 121 8.170 16.203 0.842 1.00 13.20 C ATOM 1924 CD2 PHE A 121 7.603 13.975 0.203 1.00 12.34 C ATOM 1925 CE1 PHE A 121 8.752 15.726 1.999 1.00 21.12 C ATOM 1926 CE2 PHE A 121 8.187 13.492 1.359 1.00 60.25 C ATOM 1927 CZ PHE A 121 8.764 14.369 2.257 1.00 73.24 C ATOM 0 H PHE A 121 5.054 16.871 -0.111 1.00 4.13 H new ATOM 0 HA PHE A 121 7.557 17.868 -0.872 1.00 44.41 H new ATOM 0 HB2 PHE A 121 6.018 15.333 -1.501 1.00 74.43 H new ATOM 0 HB3 PHE A 121 7.611 15.616 -2.175 1.00 74.43 H new ATOM 0 HD1 PHE A 121 8.168 17.265 0.644 1.00 13.20 H new ATOM 0 HD2 PHE A 121 7.153 13.286 -0.496 1.00 12.34 H new ATOM 0 HE1 PHE A 121 9.198 16.414 2.702 1.00 21.12 H new ATOM 0 HE2 PHE A 121 8.192 12.431 1.560 1.00 60.25 H new ATOM 0 HZ PHE A 121 9.224 13.994 3.159 1.00 73.24 H new ATOM 1937 N ARG A 122 5.479 17.474 -3.429 1.00 31.42 N ATOM 1938 CA ARG A 122 5.310 17.865 -4.829 1.00 12.30 C ATOM 1939 C ARG A 122 4.479 19.139 -4.957 1.00 0.53 C ATOM 1940 O ARG A 122 3.969 19.465 -6.028 1.00 60.03 O ATOM 1941 CB ARG A 122 4.714 16.711 -5.655 1.00 20.34 C ATOM 1942 CG ARG A 122 3.367 16.177 -5.174 1.00 73.41 C ATOM 1943 CD ARG A 122 2.204 17.033 -5.651 1.00 11.23 C ATOM 1944 NE ARG A 122 1.032 16.223 -5.963 1.00 1.10 N ATOM 1945 CZ ARG A 122 -0.223 16.646 -5.863 1.00 12.25 C ATOM 1946 NH1 ARG A 122 -0.488 17.880 -5.444 1.00 10.41 N ATOM 1947 NH2 ARG A 122 -1.211 15.830 -6.195 1.00 33.15 N ATOM 0 H ARG A 122 4.733 16.889 -3.051 1.00 31.42 H new ATOM 0 HA ARG A 122 6.297 18.085 -5.236 1.00 12.30 H new ATOM 0 HB2 ARG A 122 4.603 17.047 -6.686 1.00 20.34 H new ATOM 0 HB3 ARG A 122 5.428 15.888 -5.663 1.00 20.34 H new ATOM 0 HG2 ARG A 122 3.235 15.156 -5.532 1.00 73.41 H new ATOM 0 HG3 ARG A 122 3.363 16.136 -4.085 1.00 73.41 H new ATOM 0 HD2 ARG A 122 1.949 17.762 -4.882 1.00 11.23 H new ATOM 0 HD3 ARG A 122 2.504 17.595 -6.535 1.00 11.23 H new ATOM 0 HE ARG A 122 1.187 15.266 -6.280 1.00 1.10 H new ATOM 0 HH11 ARG A 122 0.275 18.510 -5.197 1.00 10.41 H new ATOM 0 HH12 ARG A 122 -1.455 18.197 -5.370 1.00 10.41 H new ATOM 0 HH21 ARG A 122 -1.005 14.887 -6.524 1.00 33.15 H new ATOM 0 HH22 ARG A 122 -2.179 16.145 -6.122 1.00 33.15 H new ATOM 1961 N ARG A 123 4.378 19.860 -3.859 1.00 33.23 N ATOM 1962 CA ARG A 123 3.631 21.108 -3.811 1.00 51.15 C ATOM 1963 C ARG A 123 4.550 22.254 -3.402 1.00 62.15 C ATOM 1964 O ARG A 123 4.522 23.325 -4.002 1.00 11.43 O ATOM 1965 CB ARG A 123 2.475 20.957 -2.824 1.00 60.34 C ATOM 1966 CG ARG A 123 1.978 22.247 -2.200 1.00 2.45 C ATOM 1967 CD ARG A 123 1.721 22.032 -0.720 1.00 34.43 C ATOM 1968 NE ARG A 123 1.122 23.194 -0.066 1.00 5.44 N ATOM 1969 CZ ARG A 123 1.597 23.742 1.054 1.00 55.23 C ATOM 1970 NH1 ARG A 123 2.780 23.374 1.527 1.00 24.31 N ATOM 1971 NH2 ARG A 123 0.911 24.689 1.680 1.00 42.24 N ATOM 0 H ARG A 123 4.810 19.600 -2.972 1.00 33.23 H new ATOM 0 HA ARG A 123 3.229 21.337 -4.798 1.00 51.15 H new ATOM 0 HB2 ARG A 123 1.642 20.477 -3.338 1.00 60.34 H new ATOM 0 HB3 ARG A 123 2.787 20.284 -2.025 1.00 60.34 H new ATOM 0 HG2 ARG A 123 2.715 23.038 -2.340 1.00 2.45 H new ATOM 0 HG3 ARG A 123 1.063 22.573 -2.695 1.00 2.45 H new ATOM 0 HD2 ARG A 123 1.063 21.172 -0.593 1.00 34.43 H new ATOM 0 HD3 ARG A 123 2.662 21.789 -0.226 1.00 34.43 H new ATOM 0 HE ARG A 123 0.293 23.610 -0.490 1.00 5.44 H new ATOM 0 HH11 ARG A 123 3.330 22.670 1.034 1.00 24.31 H new ATOM 0 HH12 ARG A 123 3.140 23.795 2.383 1.00 24.31 H new ATOM 0 HH21 ARG A 123 0.015 25.002 1.306 1.00 42.24 H new ATOM 0 HH22 ARG A 123 1.279 25.104 2.536 1.00 42.24 H new ATOM 1985 N ARG A 124 5.381 21.986 -2.395 1.00 73.22 N ATOM 1986 CA ARG A 124 6.294 22.972 -1.827 1.00 13.51 C ATOM 1987 C ARG A 124 5.524 24.150 -1.251 1.00 32.13 C ATOM 1988 O ARG A 124 5.063 24.050 -0.095 1.00 61.31 O ATOM 1989 CB ARG A 124 7.319 23.461 -2.861 1.00 63.12 C ATOM 1990 CG ARG A 124 8.204 22.360 -3.429 1.00 4.40 C ATOM 1991 CD ARG A 124 8.750 21.441 -2.343 1.00 61.23 C ATOM 1992 NE ARG A 124 9.318 22.177 -1.214 1.00 1.32 N ATOM 1993 CZ ARG A 124 9.862 21.595 -0.147 1.00 73.21 C ATOM 1994 NH1 ARG A 124 10.023 20.277 -0.115 1.00 71.34 N ATOM 1995 NH2 ARG A 124 10.266 22.333 0.877 1.00 55.15 N ATOM 0 H ARG A 124 5.438 21.071 -1.948 1.00 73.22 H new ATOM 0 HA ARG A 124 6.841 22.481 -1.022 1.00 13.51 H new ATOM 0 HB2 ARG A 124 6.789 23.945 -3.681 1.00 63.12 H new ATOM 0 HB3 ARG A 124 7.952 24.219 -2.399 1.00 63.12 H new ATOM 0 HG2 ARG A 124 7.633 21.771 -4.147 1.00 4.40 H new ATOM 0 HG3 ARG A 124 9.035 22.809 -3.974 1.00 4.40 H new ATOM 0 HD2 ARG A 124 7.950 20.794 -1.984 1.00 61.23 H new ATOM 0 HD3 ARG A 124 9.515 20.794 -2.771 1.00 61.23 H new ATOM 0 HE ARG A 124 9.296 23.196 -1.246 1.00 1.32 H new ATOM 0 HH11 ARG A 124 9.730 19.708 -0.909 1.00 71.34 H new ATOM 0 HH12 ARG A 124 10.440 19.834 0.704 1.00 71.34 H new ATOM 0 HH21 ARG A 124 10.160 23.347 0.848 1.00 55.15 H new ATOM 0 HH22 ARG A 124 10.683 21.887 1.694 1.00 55.15 H new