USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 822 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 65 GLN : amide:sc= -0.0274 X(o=-0.65,f=-0.96) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.624 USER MOD Set 2.1: A 29 TYR OH : rot 173:sc= 1.21 USER MOD Set 2.2: A 97 THR OG1 : rot 54:sc= 0.664 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0632 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.9! C(o=-1.9!,f=-7.6!) USER MOD Single : A 38 SER OG : rot 84:sc= 0.103 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 53 THR OG1 : rot -15:sc= 1.04 USER MOD Single : A 54 SER OG : rot 180:sc= -0.322 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0924 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 150:sc= -0.0498 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.36) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 85:sc= -2.02! USER MOD Single : A 89 HIS : no HD1:sc= -0.326 K(o=0.31,f=-4.2!) USER MOD Single : A 90 GLN : amide:sc= -0.569 K(o=-0.57,f=-1.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 8.621 -5.633 -8.871 1.00 33.13 N ATOM 64 CA VAL A 7 9.506 -6.606 -8.243 1.00 33.43 C ATOM 65 C VAL A 7 10.916 -6.519 -8.818 1.00 42.13 C ATOM 66 O VAL A 7 11.892 -6.374 -8.079 1.00 21.44 O ATOM 67 CB VAL A 7 8.979 -8.043 -8.422 1.00 14.11 C ATOM 68 CG1 VAL A 7 9.837 -9.029 -7.644 1.00 52.20 C ATOM 69 CG2 VAL A 7 7.524 -8.134 -7.991 1.00 43.03 C ATOM 0 HA VAL A 7 9.534 -6.367 -7.180 1.00 33.43 H new ATOM 0 HB VAL A 7 9.038 -8.303 -9.479 1.00 14.11 H new ATOM 0 HG11 VAL A 7 9.449 -10.038 -7.783 1.00 52.20 H new ATOM 0 HG12 VAL A 7 10.864 -8.982 -8.006 1.00 52.20 H new ATOM 0 HG13 VAL A 7 9.814 -8.774 -6.584 1.00 52.20 H new ATOM 0 HG21 VAL A 7 7.168 -9.156 -8.124 1.00 43.03 H new ATOM 0 HG22 VAL A 7 7.437 -7.854 -6.941 1.00 43.03 H new ATOM 0 HG23 VAL A 7 6.922 -7.458 -8.598 1.00 43.03 H new ATOM 79 N LEU A 8 11.016 -6.607 -10.139 1.00 55.10 N ATOM 80 CA LEU A 8 12.307 -6.537 -10.815 1.00 72.14 C ATOM 81 C LEU A 8 12.484 -5.193 -11.515 1.00 22.23 C ATOM 82 O LEU A 8 11.616 -4.759 -12.274 1.00 64.21 O ATOM 83 CB LEU A 8 12.437 -7.675 -11.828 1.00 11.30 C ATOM 84 CG LEU A 8 12.378 -9.092 -11.258 1.00 41.32 C ATOM 85 CD1 LEU A 8 12.574 -10.120 -12.362 1.00 75.41 C ATOM 86 CD2 LEU A 8 13.424 -9.272 -10.168 1.00 24.44 C ATOM 0 H LEU A 8 10.219 -6.727 -10.764 1.00 55.10 H new ATOM 0 HA LEU A 8 13.089 -6.638 -10.063 1.00 72.14 H new ATOM 0 HB2 LEU A 8 11.643 -7.569 -12.567 1.00 11.30 H new ATOM 0 HB3 LEU A 8 13.383 -7.557 -12.357 1.00 11.30 H new ATOM 0 HG LEU A 8 11.393 -9.245 -10.818 1.00 41.32 H new ATOM 0 HD11 LEU A 8 12.529 -11.123 -11.937 1.00 75.41 H new ATOM 0 HD12 LEU A 8 11.788 -10.006 -13.109 1.00 75.41 H new ATOM 0 HD13 LEU A 8 13.546 -9.968 -12.832 1.00 75.41 H new ATOM 0 HD21 LEU A 8 13.368 -10.287 -9.774 1.00 24.44 H new ATOM 0 HD22 LEU A 8 14.417 -9.099 -10.584 1.00 24.44 H new ATOM 0 HD23 LEU A 8 13.238 -8.559 -9.364 1.00 24.44 H new ATOM 98 N SER A 9 13.611 -4.540 -11.257 1.00 54.21 N ATOM 99 CA SER A 9 13.901 -3.246 -11.862 1.00 41.41 C ATOM 100 C SER A 9 14.270 -3.403 -13.333 1.00 2.42 C ATOM 101 O SER A 9 14.186 -4.496 -13.892 1.00 10.23 O ATOM 102 CB SER A 9 15.038 -2.550 -11.111 1.00 72.10 C ATOM 103 OG SER A 9 16.293 -2.846 -11.699 1.00 31.22 O ATOM 0 H SER A 9 14.339 -4.886 -10.632 1.00 54.21 H new ATOM 0 HA SER A 9 13.002 -2.633 -11.795 1.00 41.41 H new ATOM 0 HB2 SER A 9 14.875 -1.472 -11.116 1.00 72.10 H new ATOM 0 HB3 SER A 9 15.037 -2.867 -10.068 1.00 72.10 H new ATOM 0 HG SER A 9 17.003 -2.388 -11.202 1.00 31.22 H new ATOM 109 N GLY A 10 14.680 -2.302 -13.957 1.00 64.51 N ATOM 110 CA GLY A 10 15.056 -2.338 -15.358 1.00 24.02 C ATOM 111 C GLY A 10 16.189 -3.306 -15.629 1.00 73.25 C ATOM 112 O GLY A 10 16.095 -4.150 -16.519 1.00 14.12 O ATOM 0 H GLY A 10 14.758 -1.385 -13.516 1.00 64.51 H new ATOM 0 HA2 GLY A 10 14.190 -2.621 -15.956 1.00 24.02 H new ATOM 0 HA3 GLY A 10 15.352 -1.339 -15.677 1.00 24.02 H new ATOM 116 N GLY A 11 17.267 -3.183 -14.860 1.00 75.51 N ATOM 117 CA GLY A 11 18.410 -4.061 -15.038 1.00 43.31 C ATOM 118 C GLY A 11 18.075 -5.513 -14.764 1.00 50.13 C ATOM 119 O GLY A 11 18.495 -6.403 -15.501 1.00 74.03 O ATOM 0 H GLY A 11 17.369 -2.491 -14.117 1.00 75.51 H new ATOM 0 HA2 GLY A 11 18.783 -3.964 -16.057 1.00 43.31 H new ATOM 0 HA3 GLY A 11 19.214 -3.745 -14.373 1.00 43.31 H new ATOM 123 N GLU A 12 17.317 -5.752 -13.698 1.00 74.54 N ATOM 124 CA GLU A 12 16.929 -7.108 -13.326 1.00 14.44 C ATOM 125 C GLU A 12 16.001 -7.715 -14.375 1.00 0.10 C ATOM 126 O GLU A 12 16.113 -8.895 -14.711 1.00 21.42 O ATOM 127 CB GLU A 12 16.242 -7.109 -11.959 1.00 4.20 C ATOM 128 CG GLU A 12 16.958 -6.268 -10.916 1.00 12.43 C ATOM 129 CD GLU A 12 16.369 -6.433 -9.529 1.00 41.12 C ATOM 130 OE1 GLU A 12 15.368 -5.751 -9.226 1.00 22.44 O ATOM 131 OE2 GLU A 12 16.910 -7.242 -8.747 1.00 52.23 O1- ATOM 0 H GLU A 12 16.960 -5.025 -13.078 1.00 74.54 H new ATOM 0 HA GLU A 12 17.833 -7.715 -13.270 1.00 14.44 H new ATOM 0 HB2 GLU A 12 15.223 -6.740 -12.074 1.00 4.20 H new ATOM 0 HB3 GLU A 12 16.170 -8.135 -11.599 1.00 4.20 H new ATOM 0 HG2 GLU A 12 18.012 -6.543 -10.894 1.00 12.43 H new ATOM 0 HG3 GLU A 12 16.909 -5.218 -11.205 1.00 12.43 H new ATOM 138 N LEU A 13 15.087 -6.901 -14.889 1.00 65.00 N ATOM 139 CA LEU A 13 14.138 -7.355 -15.899 1.00 15.14 C ATOM 140 C LEU A 13 14.867 -7.950 -17.101 1.00 45.21 C ATOM 141 O LEU A 13 14.496 -9.012 -17.601 1.00 13.12 O ATOM 142 CB LEU A 13 13.248 -6.196 -16.351 1.00 22.14 C ATOM 143 CG LEU A 13 11.973 -6.582 -17.102 1.00 1.24 C ATOM 144 CD1 LEU A 13 11.047 -7.387 -16.204 1.00 33.13 C ATOM 145 CD2 LEU A 13 11.265 -5.341 -17.624 1.00 12.42 C ATOM 0 H LEU A 13 14.983 -5.922 -14.623 1.00 65.00 H new ATOM 0 HA LEU A 13 13.514 -8.130 -15.454 1.00 15.14 H new ATOM 0 HB2 LEU A 13 12.967 -5.616 -15.472 1.00 22.14 H new ATOM 0 HB3 LEU A 13 13.838 -5.539 -16.991 1.00 22.14 H new ATOM 0 HG LEU A 13 12.251 -7.203 -17.954 1.00 1.24 H new ATOM 0 HD11 LEU A 13 10.145 -7.652 -16.756 1.00 33.13 H new ATOM 0 HD12 LEU A 13 11.554 -8.295 -15.879 1.00 33.13 H new ATOM 0 HD13 LEU A 13 10.777 -6.791 -15.332 1.00 33.13 H new ATOM 0 HD21 LEU A 13 10.360 -5.635 -18.156 1.00 12.42 H new ATOM 0 HD22 LEU A 13 11.001 -4.694 -16.788 1.00 12.42 H new ATOM 0 HD23 LEU A 13 11.926 -4.803 -18.303 1.00 12.42 H new ATOM 157 N ASP A 14 15.904 -7.258 -17.558 1.00 14.14 N ATOM 158 CA ASP A 14 16.687 -7.719 -18.700 1.00 24.01 C ATOM 159 C ASP A 14 17.164 -9.152 -18.488 1.00 21.12 C ATOM 160 O ASP A 14 17.004 -10.007 -19.360 1.00 3.12 O ATOM 161 CB ASP A 14 17.886 -6.797 -18.928 1.00 74.11 C ATOM 162 CG ASP A 14 18.040 -6.396 -20.382 1.00 22.12 C ATOM 163 OD1 ASP A 14 17.535 -7.131 -21.257 1.00 45.33 O ATOM 164 OD2 ASP A 14 18.664 -5.347 -20.644 1.00 13.44 O1- ATOM 0 H ASP A 14 16.223 -6.376 -17.156 1.00 14.14 H new ATOM 0 HA ASP A 14 16.047 -7.695 -19.582 1.00 24.01 H new ATOM 0 HB2 ASP A 14 17.773 -5.901 -18.317 1.00 74.11 H new ATOM 0 HB3 ASP A 14 18.795 -7.298 -18.594 1.00 74.11 H new ATOM 169 N LYS A 15 17.751 -9.409 -17.325 1.00 75.23 N ATOM 170 CA LYS A 15 18.253 -10.739 -16.997 1.00 50.32 C ATOM 171 C LYS A 15 17.104 -11.730 -16.839 1.00 14.41 C ATOM 172 O LYS A 15 17.179 -12.861 -17.315 1.00 35.35 O ATOM 173 CB LYS A 15 19.080 -10.692 -15.711 1.00 53.33 C ATOM 174 CG LYS A 15 20.579 -10.751 -15.949 1.00 52.34 C ATOM 175 CD LYS A 15 21.183 -9.359 -16.048 1.00 21.21 C ATOM 176 CE LYS A 15 21.872 -8.958 -14.752 1.00 5.32 C ATOM 177 NZ LYS A 15 20.937 -8.273 -13.817 1.00 74.15 N1+ ATOM 0 H LYS A 15 17.891 -8.713 -16.592 1.00 75.23 H new ATOM 0 HA LYS A 15 18.888 -11.073 -17.818 1.00 50.32 H new ATOM 0 HB2 LYS A 15 18.842 -9.776 -15.170 1.00 53.33 H new ATOM 0 HB3 LYS A 15 18.789 -11.525 -15.071 1.00 53.33 H new ATOM 0 HG2 LYS A 15 21.056 -11.299 -15.136 1.00 52.34 H new ATOM 0 HG3 LYS A 15 20.781 -11.303 -16.867 1.00 52.34 H new ATOM 0 HD2 LYS A 15 21.901 -9.330 -16.867 1.00 21.21 H new ATOM 0 HD3 LYS A 15 20.401 -8.638 -16.284 1.00 21.21 H new ATOM 0 HE2 LYS A 15 22.283 -9.845 -14.270 1.00 5.32 H new ATOM 0 HE3 LYS A 15 22.711 -8.299 -14.975 1.00 5.32 H new ATOM 0 HZ1 LYS A 15 21.444 -8.016 -12.946 1.00 74.15 H new ATOM 0 HZ2 LYS A 15 20.564 -7.413 -14.267 1.00 74.15 H new ATOM 0 HZ3 LYS A 15 20.150 -8.911 -13.584 1.00 74.15 H new ATOM 191 N TRP A 16 16.042 -11.295 -16.170 1.00 42.14 N ATOM 192 CA TRP A 16 14.877 -12.144 -15.951 1.00 41.02 C ATOM 193 C TRP A 16 14.359 -12.708 -17.270 1.00 1.11 C ATOM 194 O TRP A 16 14.186 -13.918 -17.411 1.00 12.25 O ATOM 195 CB TRP A 16 13.769 -11.355 -15.250 1.00 55.03 C ATOM 196 CG TRP A 16 12.493 -12.126 -15.103 1.00 65.30 C ATOM 197 CD1 TRP A 16 11.387 -12.039 -15.898 1.00 10.21 C ATOM 198 CD2 TRP A 16 12.191 -13.099 -14.097 1.00 71.43 C ATOM 199 NE1 TRP A 16 10.415 -12.900 -15.447 1.00 4.35 N ATOM 200 CE2 TRP A 16 10.884 -13.562 -14.344 1.00 75.21 C ATOM 201 CE3 TRP A 16 12.898 -13.626 -13.013 1.00 72.23 C ATOM 202 CZ2 TRP A 16 10.272 -14.526 -13.546 1.00 3.30 C ATOM 203 CZ3 TRP A 16 12.289 -14.581 -12.221 1.00 12.22 C ATOM 204 CH2 TRP A 16 10.987 -15.023 -12.491 1.00 32.32 C ATOM 0 H TRP A 16 15.964 -10.360 -15.770 1.00 42.14 H new ATOM 0 HA TRP A 16 15.179 -12.976 -15.315 1.00 41.02 H new ATOM 0 HB2 TRP A 16 14.118 -11.052 -14.263 1.00 55.03 H new ATOM 0 HB3 TRP A 16 13.571 -10.443 -15.812 1.00 55.03 H new ATOM 0 HD1 TRP A 16 11.290 -11.389 -16.755 1.00 10.21 H new ATOM 0 HE1 TRP A 16 9.494 -13.025 -15.866 1.00 4.35 H new ATOM 0 HE3 TRP A 16 13.903 -13.293 -12.798 1.00 72.23 H new ATOM 0 HZ2 TRP A 16 9.269 -14.869 -13.753 1.00 3.30 H new ATOM 0 HZ3 TRP A 16 12.826 -14.994 -11.380 1.00 12.22 H new ATOM 0 HH2 TRP A 16 10.539 -15.771 -11.854 1.00 32.32 H new ATOM 215 N GLU A 17 14.114 -11.824 -18.231 1.00 43.44 N ATOM 216 CA GLU A 17 13.615 -12.235 -19.538 1.00 12.35 C ATOM 217 C GLU A 17 14.582 -13.205 -20.209 1.00 15.00 C ATOM 218 O GLU A 17 14.184 -14.024 -21.039 1.00 55.24 O ATOM 219 CB GLU A 17 13.397 -11.014 -20.434 1.00 62.44 C ATOM 220 CG GLU A 17 12.167 -10.200 -20.065 1.00 62.44 C ATOM 221 CD GLU A 17 11.784 -9.203 -21.140 1.00 10.30 C ATOM 222 OE1 GLU A 17 12.402 -8.119 -21.192 1.00 40.31 O ATOM 223 OE2 GLU A 17 10.866 -9.506 -21.930 1.00 2.33 O1- ATOM 0 H GLU A 17 14.253 -10.819 -18.129 1.00 43.44 H new ATOM 0 HA GLU A 17 12.662 -12.743 -19.390 1.00 12.35 H new ATOM 0 HB2 GLU A 17 14.277 -10.372 -20.380 1.00 62.44 H new ATOM 0 HB3 GLU A 17 13.307 -11.345 -21.469 1.00 62.44 H new ATOM 0 HG2 GLU A 17 11.330 -10.875 -19.885 1.00 62.44 H new ATOM 0 HG3 GLU A 17 12.354 -9.669 -19.132 1.00 62.44 H new ATOM 230 N LYS A 18 15.857 -13.107 -19.844 1.00 1.34 N ATOM 231 CA LYS A 18 16.884 -13.975 -20.409 1.00 10.15 C ATOM 232 C LYS A 18 16.805 -15.374 -19.807 1.00 3.42 C ATOM 233 O LYS A 18 16.788 -16.371 -20.530 1.00 53.15 O ATOM 234 CB LYS A 18 18.273 -13.381 -20.166 1.00 11.55 C ATOM 235 CG LYS A 18 18.976 -12.937 -21.438 1.00 64.30 C ATOM 236 CD LYS A 18 19.345 -14.122 -22.313 1.00 71.42 C ATOM 237 CE LYS A 18 20.660 -14.751 -21.874 1.00 51.24 C ATOM 238 NZ LYS A 18 21.831 -14.087 -22.512 1.00 20.02 N1+ ATOM 0 H LYS A 18 16.203 -12.435 -19.159 1.00 1.34 H new ATOM 0 HA LYS A 18 16.711 -14.050 -21.483 1.00 10.15 H new ATOM 0 HB2 LYS A 18 18.181 -12.527 -19.495 1.00 11.55 H new ATOM 0 HB3 LYS A 18 18.892 -14.121 -19.658 1.00 11.55 H new ATOM 0 HG2 LYS A 18 18.329 -12.260 -21.995 1.00 64.30 H new ATOM 0 HG3 LYS A 18 19.876 -12.379 -21.181 1.00 64.30 H new ATOM 0 HD2 LYS A 18 18.551 -14.868 -22.271 1.00 71.42 H new ATOM 0 HD3 LYS A 18 19.424 -13.799 -23.351 1.00 71.42 H new ATOM 0 HE2 LYS A 18 20.751 -14.685 -20.790 1.00 51.24 H new ATOM 0 HE3 LYS A 18 20.659 -15.811 -22.129 1.00 51.24 H new ATOM 0 HZ1 LYS A 18 22.708 -14.543 -22.188 1.00 20.02 H new ATOM 0 HZ2 LYS A 18 21.758 -14.172 -23.546 1.00 20.02 H new ATOM 0 HZ3 LYS A 18 21.846 -13.081 -22.248 1.00 20.02 H new ATOM 252 N ILE A 19 16.756 -15.440 -18.481 1.00 21.14 N ATOM 253 CA ILE A 19 16.676 -16.717 -17.783 1.00 32.31 C ATOM 254 C ILE A 19 15.540 -17.573 -18.331 1.00 21.23 C ATOM 255 O ILE A 19 14.464 -17.066 -18.649 1.00 11.41 O ATOM 256 CB ILE A 19 16.471 -16.519 -16.269 1.00 11.24 C ATOM 257 CG1 ILE A 19 17.614 -15.690 -15.681 1.00 45.01 C ATOM 258 CG2 ILE A 19 16.371 -17.865 -15.568 1.00 20.43 C ATOM 259 CD1 ILE A 19 17.147 -14.593 -14.749 1.00 1.44 C ATOM 0 H ILE A 19 16.770 -14.624 -17.869 1.00 21.14 H new ATOM 0 HA ILE A 19 17.625 -17.227 -17.949 1.00 32.31 H new ATOM 0 HB ILE A 19 15.538 -15.979 -16.112 1.00 11.24 H new ATOM 0 HG12 ILE A 19 18.291 -16.351 -15.140 1.00 45.01 H new ATOM 0 HG13 ILE A 19 18.186 -15.245 -16.495 1.00 45.01 H new ATOM 0 HG21 ILE A 19 16.226 -17.709 -14.499 1.00 20.43 H new ATOM 0 HG22 ILE A 19 15.526 -18.423 -15.971 1.00 20.43 H new ATOM 0 HG23 ILE A 19 17.289 -18.429 -15.731 1.00 20.43 H new ATOM 0 HD11 ILE A 19 18.010 -14.046 -14.370 1.00 1.44 H new ATOM 0 HD12 ILE A 19 16.494 -13.909 -15.291 1.00 1.44 H new ATOM 0 HD13 ILE A 19 16.601 -15.033 -13.915 1.00 1.44 H new ATOM 271 N ARG A 20 15.785 -18.876 -18.437 1.00 42.21 N ATOM 272 CA ARG A 20 14.783 -19.803 -18.946 1.00 33.34 C ATOM 273 C ARG A 20 14.186 -20.634 -17.814 1.00 70.30 C ATOM 274 O ARG A 20 14.816 -20.827 -16.773 1.00 22.24 O ATOM 275 CB ARG A 20 15.399 -20.724 -20.001 1.00 30.55 C ATOM 276 CG ARG A 20 15.671 -20.035 -21.327 1.00 1.13 C ATOM 277 CD ARG A 20 16.965 -20.528 -21.956 1.00 63.25 C ATOM 278 NE ARG A 20 16.786 -21.797 -22.655 1.00 11.34 N ATOM 279 CZ ARG A 20 17.682 -22.309 -23.492 1.00 45.41 C ATOM 280 NH1 ARG A 20 18.815 -21.661 -23.732 1.00 23.35 N1+ ATOM 281 NH2 ARG A 20 17.446 -23.469 -24.091 1.00 11.00 N ATOM 0 H ARG A 20 16.669 -19.312 -18.177 1.00 42.21 H new ATOM 0 HA ARG A 20 13.984 -19.220 -19.405 1.00 33.34 H new ATOM 0 HB2 ARG A 20 16.333 -21.131 -19.615 1.00 30.55 H new ATOM 0 HB3 ARG A 20 14.730 -21.567 -20.170 1.00 30.55 H new ATOM 0 HG2 ARG A 20 14.841 -20.217 -22.010 1.00 1.13 H new ATOM 0 HG3 ARG A 20 15.727 -18.957 -21.174 1.00 1.13 H new ATOM 0 HD2 ARG A 20 17.337 -19.779 -22.655 1.00 63.25 H new ATOM 0 HD3 ARG A 20 17.723 -20.645 -21.181 1.00 63.25 H new ATOM 0 HE ARG A 20 15.925 -22.320 -22.492 1.00 11.34 H new ATOM 0 HH11 ARG A 20 18.999 -20.769 -23.274 1.00 23.35 H new ATOM 0 HH12 ARG A 20 19.502 -22.055 -24.375 1.00 23.35 H new ATOM 0 HH21 ARG A 20 16.576 -23.969 -23.909 1.00 11.00 H new ATOM 0 HH22 ARG A 20 18.135 -23.861 -24.733 1.00 11.00 H new ATOM 295 N LEU A 21 12.970 -21.125 -18.025 1.00 42.43 N ATOM 296 CA LEU A 21 12.288 -21.935 -17.022 1.00 74.40 C ATOM 297 C LEU A 21 12.962 -23.295 -16.871 1.00 31.25 C ATOM 298 O LEU A 21 13.279 -23.723 -15.760 1.00 1.31 O ATOM 299 CB LEU A 21 10.818 -22.122 -17.402 1.00 24.21 C ATOM 300 CG LEU A 21 10.047 -20.847 -17.746 1.00 53.20 C ATOM 301 CD1 LEU A 21 9.078 -21.102 -18.890 1.00 42.40 C ATOM 302 CD2 LEU A 21 9.307 -20.324 -16.524 1.00 52.04 C ATOM 0 H LEU A 21 12.436 -20.976 -18.881 1.00 42.43 H new ATOM 0 HA LEU A 21 12.347 -21.412 -16.067 1.00 74.40 H new ATOM 0 HB2 LEU A 21 10.767 -22.795 -18.258 1.00 24.21 H new ATOM 0 HB3 LEU A 21 10.310 -22.618 -16.575 1.00 24.21 H new ATOM 0 HG LEU A 21 10.762 -20.088 -18.064 1.00 53.20 H new ATOM 0 HD11 LEU A 21 8.538 -20.184 -19.121 1.00 42.40 H new ATOM 0 HD12 LEU A 21 9.632 -21.429 -19.770 1.00 42.40 H new ATOM 0 HD13 LEU A 21 8.368 -21.877 -18.600 1.00 42.40 H new ATOM 0 HD21 LEU A 21 8.764 -19.416 -16.788 1.00 52.04 H new ATOM 0 HD22 LEU A 21 8.603 -21.079 -16.174 1.00 52.04 H new ATOM 0 HD23 LEU A 21 10.023 -20.101 -15.733 1.00 52.04 H new ATOM 314 N ARG A 22 13.180 -23.970 -17.995 1.00 31.11 N ATOM 315 CA ARG A 22 13.818 -25.281 -17.988 1.00 72.02 C ATOM 316 C ARG A 22 15.133 -25.251 -18.760 1.00 53.51 C ATOM 317 O ARG A 22 15.359 -24.395 -19.617 1.00 40.01 O ATOM 318 CB ARG A 22 12.884 -26.330 -18.594 1.00 22.24 C ATOM 319 CG ARG A 22 12.229 -27.232 -17.560 1.00 10.01 C ATOM 320 CD ARG A 22 10.740 -26.954 -17.441 1.00 23.14 C ATOM 321 NE ARG A 22 10.137 -27.669 -16.318 1.00 3.02 N ATOM 322 CZ ARG A 22 9.912 -28.978 -16.316 1.00 12.23 C ATOM 323 NH1 ARG A 22 10.237 -29.711 -17.372 1.00 32.05 N1+ ATOM 324 NH2 ARG A 22 9.360 -29.556 -15.257 1.00 50.41 N ATOM 0 H ARG A 22 12.924 -23.631 -18.922 1.00 31.11 H new ATOM 0 HA ARG A 22 14.030 -25.547 -16.953 1.00 72.02 H new ATOM 0 HB2 ARG A 22 12.107 -25.825 -19.167 1.00 22.24 H new ATOM 0 HB3 ARG A 22 13.448 -26.945 -19.295 1.00 22.24 H new ATOM 0 HG2 ARG A 22 12.384 -28.275 -17.835 1.00 10.01 H new ATOM 0 HG3 ARG A 22 12.706 -27.083 -16.591 1.00 10.01 H new ATOM 0 HD2 ARG A 22 10.580 -25.883 -17.317 1.00 23.14 H new ATOM 0 HD3 ARG A 22 10.242 -27.245 -18.366 1.00 23.14 H new ATOM 0 HE ARG A 22 9.875 -27.133 -15.491 1.00 3.02 H new ATOM 0 HH11 ARG A 22 10.661 -29.270 -18.188 1.00 32.05 H new ATOM 0 HH12 ARG A 22 10.063 -30.716 -17.368 1.00 32.05 H new ATOM 0 HH21 ARG A 22 9.108 -28.995 -14.443 1.00 50.41 H new ATOM 0 HH22 ARG A 22 9.188 -30.561 -15.257 1.00 50.41 H new ATOM 338 N PRO A 23 16.024 -26.204 -18.451 1.00 73.12 N ATOM 339 CA PRO A 23 17.332 -26.308 -19.104 1.00 41.21 C ATOM 340 C PRO A 23 17.220 -26.747 -20.560 1.00 31.43 C ATOM 341 O PRO A 23 17.976 -26.291 -21.417 1.00 45.31 O ATOM 342 CB PRO A 23 18.058 -27.373 -18.279 1.00 21.33 C ATOM 343 CG PRO A 23 16.969 -28.198 -17.683 1.00 42.21 C ATOM 344 CD PRO A 23 15.822 -27.256 -17.441 1.00 62.44 C ATOM 0 HA PRO A 23 17.849 -25.349 -19.135 1.00 41.21 H new ATOM 0 HB2 PRO A 23 18.716 -27.977 -18.904 1.00 21.33 H new ATOM 0 HB3 PRO A 23 18.679 -26.920 -17.507 1.00 21.33 H new ATOM 0 HG2 PRO A 23 16.677 -29.004 -18.356 1.00 42.21 H new ATOM 0 HG3 PRO A 23 17.296 -28.662 -16.753 1.00 42.21 H new ATOM 0 HD2 PRO A 23 14.860 -27.754 -17.566 1.00 62.44 H new ATOM 0 HD3 PRO A 23 15.842 -26.851 -16.429 1.00 62.44 H new ATOM 352 N GLY A 24 16.270 -27.637 -20.834 1.00 75.42 N ATOM 353 CA GLY A 24 16.077 -28.123 -22.187 1.00 4.53 C ATOM 354 C GLY A 24 14.765 -27.658 -22.788 1.00 55.10 C ATOM 355 O GLY A 24 13.942 -28.471 -23.204 1.00 24.42 O ATOM 0 H GLY A 24 15.631 -28.030 -20.143 1.00 75.42 H new ATOM 0 HA2 GLY A 24 16.901 -27.782 -22.813 1.00 4.53 H new ATOM 0 HA3 GLY A 24 16.107 -29.213 -22.186 1.00 4.53 H new ATOM 359 N GLY A 25 14.569 -26.343 -22.833 1.00 70.41 N ATOM 360 CA GLY A 25 13.346 -25.794 -23.387 1.00 50.10 C ATOM 361 C GLY A 25 13.608 -24.687 -24.388 1.00 14.53 C ATOM 362 O GLY A 25 14.756 -24.298 -24.610 1.00 62.32 O ATOM 0 H GLY A 25 15.236 -25.649 -22.495 1.00 70.41 H new ATOM 0 HA2 GLY A 25 12.781 -26.590 -23.871 1.00 50.10 H new ATOM 0 HA3 GLY A 25 12.725 -25.409 -22.578 1.00 50.10 H new ATOM 366 N LYS A 26 12.544 -24.179 -25.000 1.00 25.13 N ATOM 367 CA LYS A 26 12.663 -23.111 -25.985 1.00 15.12 C ATOM 368 C LYS A 26 11.847 -21.892 -25.567 1.00 54.44 C ATOM 369 O LYS A 26 11.391 -21.119 -26.410 1.00 43.34 O ATOM 370 CB LYS A 26 12.200 -23.601 -27.359 1.00 24.00 C ATOM 371 CG LYS A 26 12.890 -22.904 -28.518 1.00 44.52 C ATOM 372 CD LYS A 26 11.927 -22.644 -29.665 1.00 64.14 C ATOM 373 CE LYS A 26 12.337 -21.420 -30.470 1.00 74.41 C ATOM 374 NZ LYS A 26 12.276 -21.675 -31.936 1.00 32.22 N1+ ATOM 0 H LYS A 26 11.588 -24.491 -24.831 1.00 25.13 H new ATOM 0 HA LYS A 26 13.712 -22.822 -26.044 1.00 15.12 H new ATOM 0 HB2 LYS A 26 12.380 -24.674 -27.432 1.00 24.00 H new ATOM 0 HB3 LYS A 26 11.124 -23.451 -27.445 1.00 24.00 H new ATOM 0 HG2 LYS A 26 13.313 -21.960 -28.176 1.00 44.52 H new ATOM 0 HG3 LYS A 26 13.720 -23.517 -28.870 1.00 44.52 H new ATOM 0 HD2 LYS A 26 11.893 -23.516 -30.318 1.00 64.14 H new ATOM 0 HD3 LYS A 26 10.921 -22.502 -29.271 1.00 64.14 H new ATOM 0 HE2 LYS A 26 11.683 -20.585 -30.219 1.00 74.41 H new ATOM 0 HE3 LYS A 26 13.350 -21.126 -30.194 1.00 74.41 H new ATOM 0 HZ1 LYS A 26 12.563 -20.817 -32.450 1.00 32.22 H new ATOM 0 HZ2 LYS A 26 12.919 -22.456 -32.180 1.00 32.22 H new ATOM 0 HZ3 LYS A 26 11.304 -21.930 -32.204 1.00 32.22 H new ATOM 388 N LYS A 27 11.668 -21.725 -24.261 1.00 11.01 N ATOM 389 CA LYS A 27 10.910 -20.599 -23.730 1.00 5.31 C ATOM 390 C LYS A 27 11.648 -19.947 -22.565 1.00 55.20 C ATOM 391 O LYS A 27 12.164 -20.633 -21.685 1.00 72.42 O ATOM 392 CB LYS A 27 9.523 -21.060 -23.276 1.00 42.35 C ATOM 393 CG LYS A 27 8.395 -20.555 -24.159 1.00 21.53 C ATOM 394 CD LYS A 27 7.214 -21.512 -24.155 1.00 14.32 C ATOM 395 CE LYS A 27 7.097 -22.258 -25.476 1.00 61.03 C ATOM 396 NZ LYS A 27 6.313 -23.515 -25.334 1.00 22.34 N1+ ATOM 0 H LYS A 27 12.038 -22.356 -23.550 1.00 11.01 H new ATOM 0 HA LYS A 27 10.799 -19.861 -24.525 1.00 5.31 H new ATOM 0 HB2 LYS A 27 9.499 -22.150 -23.258 1.00 42.35 H new ATOM 0 HB3 LYS A 27 9.353 -20.721 -22.254 1.00 42.35 H new ATOM 0 HG2 LYS A 27 8.071 -19.574 -23.812 1.00 21.53 H new ATOM 0 HG3 LYS A 27 8.759 -20.428 -25.179 1.00 21.53 H new ATOM 0 HD2 LYS A 27 7.327 -22.228 -23.341 1.00 14.32 H new ATOM 0 HD3 LYS A 27 6.295 -20.957 -23.967 1.00 14.32 H new ATOM 0 HE2 LYS A 27 6.621 -21.614 -26.216 1.00 61.03 H new ATOM 0 HE3 LYS A 27 8.093 -22.492 -25.851 1.00 61.03 H new ATOM 0 HZ1 LYS A 27 6.256 -23.994 -26.255 1.00 22.34 H new ATOM 0 HZ2 LYS A 27 6.781 -24.140 -24.647 1.00 22.34 H new ATOM 0 HZ3 LYS A 27 5.354 -23.290 -25.001 1.00 22.34 H new ATOM 410 N GLN A 28 11.691 -18.618 -22.567 1.00 34.23 N ATOM 411 CA GLN A 28 12.365 -17.875 -21.508 1.00 15.13 C ATOM 412 C GLN A 28 11.372 -17.421 -20.444 1.00 73.32 C ATOM 413 O GLN A 28 10.185 -17.741 -20.511 1.00 14.34 O ATOM 414 CB GLN A 28 13.095 -16.664 -22.092 1.00 4.51 C ATOM 415 CG GLN A 28 13.888 -16.979 -23.350 1.00 55.31 C ATOM 416 CD GLN A 28 14.512 -15.745 -23.971 1.00 4.44 C ATOM 417 OE1 GLN A 28 13.965 -15.164 -24.909 1.00 3.42 O ATOM 418 NE2 GLN A 28 15.663 -15.337 -23.451 1.00 72.14 N ATOM 0 H GLN A 28 11.268 -18.035 -23.289 1.00 34.23 H new ATOM 0 HA GLN A 28 13.092 -18.538 -21.040 1.00 15.13 H new ATOM 0 HB2 GLN A 28 12.366 -15.885 -22.317 1.00 4.51 H new ATOM 0 HB3 GLN A 28 13.771 -16.260 -21.338 1.00 4.51 H new ATOM 0 HG2 GLN A 28 14.673 -17.697 -23.110 1.00 55.31 H new ATOM 0 HG3 GLN A 28 13.232 -17.456 -24.079 1.00 55.31 H new ATOM 0 HE21 GLN A 28 16.081 -15.848 -22.674 1.00 72.14 H new ATOM 0 HE22 GLN A 28 16.129 -14.512 -23.828 1.00 72.14 H new ATOM 427 N TYR A 29 11.865 -16.675 -19.462 1.00 13.15 N ATOM 428 CA TYR A 29 11.021 -16.180 -18.381 1.00 13.33 C ATOM 429 C TYR A 29 10.319 -14.888 -18.788 1.00 25.53 C ATOM 430 O TYR A 29 10.834 -14.111 -19.591 1.00 75.22 O ATOM 431 CB TYR A 29 11.856 -15.945 -17.121 1.00 2.31 C ATOM 432 CG TYR A 29 11.777 -17.077 -16.123 1.00 24.22 C ATOM 433 CD1 TYR A 29 10.666 -17.231 -15.303 1.00 44.33 C ATOM 434 CD2 TYR A 29 12.814 -17.994 -15.998 1.00 42.24 C ATOM 435 CE1 TYR A 29 10.589 -18.264 -14.388 1.00 53.44 C ATOM 436 CE2 TYR A 29 12.745 -19.031 -15.088 1.00 71.22 C ATOM 437 CZ TYR A 29 11.631 -19.160 -14.285 1.00 33.53 C ATOM 438 OH TYR A 29 11.560 -20.191 -13.377 1.00 65.50 O ATOM 0 H TYR A 29 12.845 -16.400 -19.392 1.00 13.15 H new ATOM 0 HA TYR A 29 10.263 -16.934 -18.170 1.00 13.33 H new ATOM 0 HB2 TYR A 29 12.897 -15.796 -17.408 1.00 2.31 H new ATOM 0 HB3 TYR A 29 11.523 -15.025 -16.641 1.00 2.31 H new ATOM 0 HD1 TYR A 29 9.848 -16.531 -15.382 1.00 44.33 H new ATOM 0 HD2 TYR A 29 13.689 -17.894 -16.623 1.00 42.24 H new ATOM 0 HE1 TYR A 29 9.718 -18.368 -13.758 1.00 53.44 H new ATOM 0 HE2 TYR A 29 13.559 -19.737 -15.006 1.00 71.22 H new ATOM 0 HH TYR A 29 12.320 -20.795 -13.508 1.00 65.50 H new ATOM 448 N LYS A 30 9.135 -14.664 -18.225 1.00 20.12 N ATOM 449 CA LYS A 30 8.359 -13.466 -18.525 1.00 74.41 C ATOM 450 C LYS A 30 7.542 -13.030 -17.313 1.00 71.32 C ATOM 451 O LYS A 30 7.408 -13.775 -16.341 1.00 43.51 O ATOM 452 CB LYS A 30 7.430 -13.720 -19.715 1.00 60.34 C ATOM 453 CG LYS A 30 7.487 -12.632 -20.773 1.00 31.02 C ATOM 454 CD LYS A 30 6.347 -12.764 -21.769 1.00 43.10 C ATOM 455 CE LYS A 30 6.499 -11.784 -22.922 1.00 64.03 C ATOM 456 NZ LYS A 30 5.703 -12.198 -24.111 1.00 24.10 N1+ ATOM 0 H LYS A 30 8.692 -15.297 -17.559 1.00 20.12 H new ATOM 0 HA LYS A 30 9.055 -12.666 -18.779 1.00 74.41 H new ATOM 0 HB2 LYS A 30 7.692 -14.674 -20.172 1.00 60.34 H new ATOM 0 HB3 LYS A 30 6.406 -13.810 -19.353 1.00 60.34 H new ATOM 0 HG2 LYS A 30 7.441 -11.654 -20.294 1.00 31.02 H new ATOM 0 HG3 LYS A 30 8.440 -12.685 -21.300 1.00 31.02 H new ATOM 0 HD2 LYS A 30 6.317 -13.782 -22.157 1.00 43.10 H new ATOM 0 HD3 LYS A 30 5.398 -12.588 -21.263 1.00 43.10 H new ATOM 0 HE2 LYS A 30 6.181 -10.792 -22.600 1.00 64.03 H new ATOM 0 HE3 LYS A 30 7.551 -11.708 -23.198 1.00 64.03 H new ATOM 0 HZ1 LYS A 30 5.833 -11.504 -24.875 1.00 24.10 H new ATOM 0 HZ2 LYS A 30 6.023 -13.133 -24.434 1.00 24.10 H new ATOM 0 HZ3 LYS A 30 4.696 -12.246 -23.855 1.00 24.10 H new ATOM 470 N LEU A 31 6.998 -11.820 -17.377 1.00 12.24 N ATOM 471 CA LEU A 31 6.192 -11.285 -16.285 1.00 34.01 C ATOM 472 C LEU A 31 5.062 -12.243 -15.921 1.00 73.21 C ATOM 473 O LEU A 31 4.603 -12.273 -14.779 1.00 23.13 O ATOM 474 CB LEU A 31 5.615 -9.922 -16.672 1.00 64.32 C ATOM 475 CG LEU A 31 5.619 -8.857 -15.575 1.00 45.41 C ATOM 476 CD1 LEU A 31 6.943 -8.109 -15.561 1.00 74.32 C ATOM 477 CD2 LEU A 31 4.461 -7.888 -15.768 1.00 11.34 C ATOM 0 H LEU A 31 7.100 -11.191 -18.173 1.00 12.24 H new ATOM 0 HA LEU A 31 6.837 -11.167 -15.414 1.00 34.01 H new ATOM 0 HB2 LEU A 31 6.178 -9.540 -17.524 1.00 64.32 H new ATOM 0 HB3 LEU A 31 4.588 -10.066 -17.007 1.00 64.32 H new ATOM 0 HG LEU A 31 5.495 -9.354 -14.613 1.00 45.41 H new ATOM 0 HD11 LEU A 31 6.927 -7.355 -14.774 1.00 74.32 H new ATOM 0 HD12 LEU A 31 7.756 -8.811 -15.374 1.00 74.32 H new ATOM 0 HD13 LEU A 31 7.097 -7.624 -16.525 1.00 74.32 H new ATOM 0 HD21 LEU A 31 4.480 -7.137 -14.978 1.00 11.34 H new ATOM 0 HD22 LEU A 31 4.554 -7.398 -16.737 1.00 11.34 H new ATOM 0 HD23 LEU A 31 3.519 -8.434 -15.727 1.00 11.34 H new ATOM 489 N LYS A 32 4.621 -13.027 -16.898 1.00 10.43 N ATOM 490 CA LYS A 32 3.547 -13.990 -16.682 1.00 60.02 C ATOM 491 C LYS A 32 3.847 -14.877 -15.478 1.00 33.13 C ATOM 492 O LYS A 32 2.939 -15.296 -14.761 1.00 20.43 O ATOM 493 CB LYS A 32 3.350 -14.854 -17.930 1.00 64.11 C ATOM 494 CG LYS A 32 2.110 -14.494 -18.728 1.00 2.03 C ATOM 495 CD LYS A 32 2.350 -14.627 -20.223 1.00 1.05 C ATOM 496 CE LYS A 32 1.154 -15.251 -20.926 1.00 23.12 C ATOM 497 NZ LYS A 32 0.176 -14.221 -21.375 1.00 63.51 N1+ ATOM 0 H LYS A 32 4.991 -13.015 -17.848 1.00 10.43 H new ATOM 0 HA LYS A 32 2.630 -13.436 -16.483 1.00 60.02 H new ATOM 0 HB2 LYS A 32 4.226 -14.756 -18.571 1.00 64.11 H new ATOM 0 HB3 LYS A 32 3.289 -15.901 -17.631 1.00 64.11 H new ATOM 0 HG2 LYS A 32 1.285 -15.142 -18.432 1.00 2.03 H new ATOM 0 HG3 LYS A 32 1.811 -13.472 -18.496 1.00 2.03 H new ATOM 0 HD2 LYS A 32 2.552 -13.644 -20.649 1.00 1.05 H new ATOM 0 HD3 LYS A 32 3.236 -15.238 -20.398 1.00 1.05 H new ATOM 0 HE2 LYS A 32 1.497 -15.825 -21.786 1.00 23.12 H new ATOM 0 HE3 LYS A 32 0.661 -15.951 -20.252 1.00 23.12 H new ATOM 0 HZ1 LYS A 32 -0.624 -14.686 -21.849 1.00 63.51 H new ATOM 0 HZ2 LYS A 32 -0.171 -13.689 -20.551 1.00 63.51 H new ATOM 0 HZ3 LYS A 32 0.640 -13.568 -22.038 1.00 63.51 H new ATOM 511 N HIS A 33 5.128 -15.160 -15.261 1.00 54.40 N ATOM 512 CA HIS A 33 5.549 -15.996 -14.142 1.00 13.24 C ATOM 513 C HIS A 33 5.654 -15.174 -12.861 1.00 72.43 C ATOM 514 O HIS A 33 5.365 -15.735 -11.804 1.00 24.24 O ATOM 515 CB HIS A 33 6.893 -16.657 -14.449 1.00 35.14 C ATOM 516 CG HIS A 33 6.950 -17.296 -15.803 1.00 60.40 C ATOM 517 ND1 HIS A 33 7.815 -16.884 -16.794 1.00 44.42 N ATOM 518 CD2 HIS A 33 6.244 -18.326 -16.328 1.00 63.14 C ATOM 519 CE1 HIS A 33 7.637 -17.630 -17.869 1.00 35.55 C ATOM 520 NE2 HIS A 33 6.690 -18.514 -17.612 1.00 42.12 N ATOM 0 H HIS A 33 5.893 -14.822 -15.846 1.00 54.40 H new ATOM 0 HA HIS A 33 4.797 -16.771 -13.996 1.00 13.24 H new ATOM 0 HB2 HIS A 33 7.682 -15.909 -14.376 1.00 35.14 H new ATOM 0 HB3 HIS A 33 7.099 -17.412 -13.691 1.00 35.14 H new ATOM 0 HD2 HIS A 33 5.473 -18.894 -15.829 1.00 63.14 H new ATOM 0 HE1 HIS A 33 8.175 -17.534 -18.801 1.00 35.55 H new ATOM 0 HE2 HIS A 33 6.346 -19.221 -18.262 1.00 42.12 H new ATOM 528 N ILE A 34 6.048 -13.907 -12.923 1.00 40.33 N ATOM 529 CA ILE A 34 6.163 -13.083 -11.726 1.00 3.34 C ATOM 530 C ILE A 34 4.789 -12.763 -11.146 1.00 4.31 C ATOM 531 O ILE A 34 4.612 -12.719 -9.928 1.00 72.10 O ATOM 532 CB ILE A 34 6.903 -11.765 -12.018 1.00 74.25 C ATOM 533 CG1 ILE A 34 8.241 -12.049 -12.707 1.00 41.23 C ATOM 534 CG2 ILE A 34 7.121 -10.983 -10.732 1.00 65.40 C ATOM 535 CD1 ILE A 34 8.986 -10.798 -13.119 1.00 24.41 C ATOM 0 H ILE A 34 6.293 -13.428 -13.790 1.00 40.33 H new ATOM 0 HA ILE A 34 6.737 -13.659 -11.000 1.00 3.34 H new ATOM 0 HB ILE A 34 6.290 -11.162 -12.687 1.00 74.25 H new ATOM 0 HG12 ILE A 34 8.870 -12.632 -12.035 1.00 41.23 H new ATOM 0 HG13 ILE A 34 8.063 -12.663 -13.590 1.00 41.23 H new ATOM 0 HG21 ILE A 34 7.645 -10.054 -10.956 1.00 65.40 H new ATOM 0 HG22 ILE A 34 6.157 -10.755 -10.277 1.00 65.40 H new ATOM 0 HG23 ILE A 34 7.717 -11.579 -10.041 1.00 65.40 H new ATOM 0 HD11 ILE A 34 9.924 -11.075 -13.600 1.00 24.41 H new ATOM 0 HD12 ILE A 34 8.376 -10.224 -13.816 1.00 24.41 H new ATOM 0 HD13 ILE A 34 9.196 -10.192 -12.237 1.00 24.41 H new ATOM 547 N VAL A 35 3.818 -12.540 -12.026 1.00 74.00 N ATOM 548 CA VAL A 35 2.459 -12.226 -11.602 1.00 43.13 C ATOM 549 C VAL A 35 1.763 -13.457 -11.031 1.00 41.30 C ATOM 550 O VAL A 35 1.067 -13.375 -10.019 1.00 23.42 O ATOM 551 CB VAL A 35 1.621 -11.671 -12.768 1.00 14.35 C ATOM 552 CG1 VAL A 35 0.200 -11.375 -12.312 1.00 13.24 C ATOM 553 CG2 VAL A 35 2.273 -10.425 -13.348 1.00 61.42 C ATOM 0 H VAL A 35 3.948 -12.571 -13.037 1.00 74.00 H new ATOM 0 HA VAL A 35 2.538 -11.464 -10.827 1.00 43.13 H new ATOM 0 HB VAL A 35 1.576 -12.428 -13.551 1.00 14.35 H new ATOM 0 HG11 VAL A 35 -0.377 -10.984 -13.150 1.00 13.24 H new ATOM 0 HG12 VAL A 35 -0.264 -12.292 -11.949 1.00 13.24 H new ATOM 0 HG13 VAL A 35 0.221 -10.637 -11.510 1.00 13.24 H new ATOM 0 HG21 VAL A 35 1.667 -10.047 -14.171 1.00 61.42 H new ATOM 0 HG22 VAL A 35 2.351 -9.661 -12.574 1.00 61.42 H new ATOM 0 HG23 VAL A 35 3.269 -10.673 -13.715 1.00 61.42 H new ATOM 563 N TRP A 36 1.957 -14.595 -11.687 1.00 71.43 N ATOM 564 CA TRP A 36 1.349 -15.845 -11.244 1.00 65.12 C ATOM 565 C TRP A 36 1.767 -16.179 -9.817 1.00 63.54 C ATOM 566 O TRP A 36 0.924 -16.415 -8.952 1.00 21.21 O ATOM 567 CB TRP A 36 1.739 -16.987 -12.184 1.00 65.21 C ATOM 568 CG TRP A 36 1.159 -18.310 -11.782 1.00 74.12 C ATOM 569 CD1 TRP A 36 -0.095 -18.774 -12.059 1.00 61.14 C ATOM 570 CD2 TRP A 36 1.813 -19.339 -11.031 1.00 62.34 C ATOM 571 NE1 TRP A 36 -0.261 -20.029 -11.524 1.00 41.34 N ATOM 572 CE2 TRP A 36 0.895 -20.398 -10.889 1.00 34.24 C ATOM 573 CE3 TRP A 36 3.084 -19.470 -10.465 1.00 41.52 C ATOM 574 CZ2 TRP A 36 1.211 -21.569 -10.204 1.00 1.54 C ATOM 575 CZ3 TRP A 36 3.395 -20.632 -9.786 1.00 74.13 C ATOM 576 CH2 TRP A 36 2.463 -21.670 -9.662 1.00 65.11 C ATOM 0 H TRP A 36 2.530 -14.679 -12.527 1.00 71.43 H new ATOM 0 HA TRP A 36 0.266 -15.720 -11.265 1.00 65.12 H new ATOM 0 HB2 TRP A 36 1.409 -16.745 -13.194 1.00 65.21 H new ATOM 0 HB3 TRP A 36 2.826 -17.069 -12.214 1.00 65.21 H new ATOM 0 HD1 TRP A 36 -0.846 -18.234 -12.617 1.00 61.14 H new ATOM 0 HE1 TRP A 36 -1.108 -20.594 -11.589 1.00 41.34 H new ATOM 0 HE3 TRP A 36 3.811 -18.676 -10.557 1.00 41.52 H new ATOM 0 HZ2 TRP A 36 0.493 -22.369 -10.104 1.00 1.54 H new ATOM 0 HZ3 TRP A 36 4.374 -20.742 -9.343 1.00 74.13 H new ATOM 0 HH2 TRP A 36 2.738 -22.568 -9.128 1.00 65.11 H new ATOM 587 N ALA A 37 3.074 -16.197 -9.576 1.00 51.35 N ATOM 588 CA ALA A 37 3.604 -16.499 -8.253 1.00 61.05 C ATOM 589 C ALA A 37 2.986 -15.593 -7.193 1.00 32.10 C ATOM 590 O ALA A 37 2.595 -16.054 -6.120 1.00 12.41 O ATOM 591 CB ALA A 37 5.120 -16.362 -8.247 1.00 24.24 C ATOM 0 H ALA A 37 3.786 -16.006 -10.281 1.00 51.35 H new ATOM 0 HA ALA A 37 3.342 -17.529 -8.011 1.00 61.05 H new ATOM 0 HB1 ALA A 37 5.502 -16.591 -7.252 1.00 24.24 H new ATOM 0 HB2 ALA A 37 5.551 -17.055 -8.969 1.00 24.24 H new ATOM 0 HB3 ALA A 37 5.394 -15.342 -8.515 1.00 24.24 H new ATOM 597 N SER A 38 2.901 -14.303 -7.501 1.00 72.21 N ATOM 598 CA SER A 38 2.334 -13.331 -6.573 1.00 32.52 C ATOM 599 C SER A 38 0.959 -13.781 -6.088 1.00 2.15 C ATOM 600 O SER A 38 0.633 -13.656 -4.907 1.00 1.53 O ATOM 601 CB SER A 38 2.227 -11.959 -7.240 1.00 13.11 C ATOM 602 OG SER A 38 3.492 -11.322 -7.301 1.00 41.12 O ATOM 0 H SER A 38 3.217 -13.906 -8.386 1.00 72.21 H new ATOM 0 HA SER A 38 2.998 -13.258 -5.712 1.00 32.52 H new ATOM 0 HB2 SER A 38 1.824 -12.071 -8.246 1.00 13.11 H new ATOM 0 HB3 SER A 38 1.528 -11.334 -6.684 1.00 13.11 H new ATOM 0 HG SER A 38 3.980 -11.639 -8.089 1.00 41.12 H new ATOM 608 N ARG A 39 0.157 -14.306 -7.009 1.00 25.15 N ATOM 609 CA ARG A 39 -1.184 -14.774 -6.677 1.00 40.23 C ATOM 610 C ARG A 39 -1.123 -15.973 -5.736 1.00 2.23 C ATOM 611 O ARG A 39 -1.722 -15.961 -4.661 1.00 44.05 O ATOM 612 CB ARG A 39 -1.946 -15.148 -7.949 1.00 12.30 C ATOM 613 CG ARG A 39 -2.463 -13.948 -8.726 1.00 54.25 C ATOM 614 CD ARG A 39 -3.636 -14.324 -9.617 1.00 51.24 C ATOM 615 NE ARG A 39 -4.730 -13.362 -9.517 1.00 64.31 N ATOM 616 CZ ARG A 39 -5.772 -13.345 -10.340 1.00 11.03 C ATOM 617 NH1 ARG A 39 -5.862 -14.235 -11.319 1.00 40.24 N1+ ATOM 618 NH2 ARG A 39 -6.728 -12.439 -10.184 1.00 2.55 N ATOM 0 H ARG A 39 0.412 -14.418 -7.990 1.00 25.15 H new ATOM 0 HA ARG A 39 -1.710 -13.964 -6.172 1.00 40.23 H new ATOM 0 HB2 ARG A 39 -1.292 -15.734 -8.595 1.00 12.30 H new ATOM 0 HB3 ARG A 39 -2.788 -15.788 -7.683 1.00 12.30 H new ATOM 0 HG2 ARG A 39 -2.769 -13.167 -8.030 1.00 54.25 H new ATOM 0 HG3 ARG A 39 -1.660 -13.534 -9.336 1.00 54.25 H new ATOM 0 HD2 ARG A 39 -3.300 -14.384 -10.652 1.00 51.24 H new ATOM 0 HD3 ARG A 39 -3.998 -15.314 -9.341 1.00 51.24 H new ATOM 0 HE ARG A 39 -4.692 -12.664 -8.774 1.00 64.31 H new ATOM 0 HH11 ARG A 39 -5.130 -14.935 -11.441 1.00 40.24 H new ATOM 0 HH12 ARG A 39 -6.663 -14.220 -11.950 1.00 40.24 H new ATOM 0 HH21 ARG A 39 -6.663 -11.754 -9.431 1.00 2.55 H new ATOM 0 HH22 ARG A 39 -7.528 -12.427 -10.817 1.00 2.55 H new ATOM 632 N GLU A 40 -0.397 -17.007 -6.149 1.00 51.10 N ATOM 633 CA GLU A 40 -0.260 -18.215 -5.342 1.00 4.45 C ATOM 634 C GLU A 40 0.350 -17.893 -3.981 1.00 31.15 C ATOM 635 O GLU A 40 0.126 -18.609 -3.004 1.00 53.34 O ATOM 636 CB GLU A 40 0.604 -19.246 -6.071 1.00 10.01 C ATOM 637 CG GLU A 40 0.161 -20.681 -5.842 1.00 72.21 C ATOM 638 CD GLU A 40 -0.084 -21.430 -7.138 1.00 32.12 C ATOM 639 OE1 GLU A 40 -1.039 -21.073 -7.859 1.00 73.22 O1- ATOM 640 OE2 GLU A 40 0.681 -22.373 -7.431 1.00 22.21 O ATOM 0 H GLU A 40 0.105 -17.033 -7.037 1.00 51.10 H new ATOM 0 HA GLU A 40 -1.255 -18.632 -5.185 1.00 4.45 H new ATOM 0 HB2 GLU A 40 0.583 -19.034 -7.140 1.00 10.01 H new ATOM 0 HB3 GLU A 40 1.638 -19.137 -5.744 1.00 10.01 H new ATOM 0 HG2 GLU A 40 0.922 -21.204 -5.263 1.00 72.21 H new ATOM 0 HG3 GLU A 40 -0.752 -20.685 -5.246 1.00 72.21 H new ATOM 647 N LEU A 41 1.123 -16.814 -3.926 1.00 23.33 N ATOM 648 CA LEU A 41 1.767 -16.397 -2.686 1.00 62.32 C ATOM 649 C LEU A 41 0.735 -15.912 -1.672 1.00 53.42 C ATOM 650 O LEU A 41 0.605 -16.476 -0.586 1.00 11.31 O ATOM 651 CB LEU A 41 2.785 -15.289 -2.964 1.00 32.50 C ATOM 652 CG LEU A 41 4.209 -15.751 -3.278 1.00 63.23 C ATOM 653 CD1 LEU A 41 5.095 -14.558 -3.604 1.00 34.33 C ATOM 654 CD2 LEU A 41 4.783 -16.542 -2.111 1.00 4.53 C ATOM 0 H LEU A 41 1.319 -16.212 -4.726 1.00 23.33 H new ATOM 0 HA LEU A 41 2.284 -17.260 -2.266 1.00 62.32 H new ATOM 0 HB2 LEU A 41 2.424 -14.693 -3.802 1.00 32.50 H new ATOM 0 HB3 LEU A 41 2.821 -14.630 -2.097 1.00 32.50 H new ATOM 0 HG LEU A 41 4.176 -16.403 -4.151 1.00 63.23 H new ATOM 0 HD11 LEU A 41 6.105 -14.904 -3.825 1.00 34.33 H new ATOM 0 HD12 LEU A 41 4.694 -14.033 -4.471 1.00 34.33 H new ATOM 0 HD13 LEU A 41 5.122 -13.881 -2.750 1.00 34.33 H new ATOM 0 HD21 LEU A 41 5.796 -16.863 -2.352 1.00 4.53 H new ATOM 0 HD22 LEU A 41 4.803 -15.914 -1.221 1.00 4.53 H new ATOM 0 HD23 LEU A 41 4.161 -17.417 -1.923 1.00 4.53 H new ATOM 666 N GLU A 42 0.003 -14.864 -2.037 1.00 3.13 N ATOM 667 CA GLU A 42 -1.020 -14.306 -1.159 1.00 54.54 C ATOM 668 C GLU A 42 -1.986 -15.388 -0.690 1.00 13.35 C ATOM 669 O GLU A 42 -2.554 -15.300 0.398 1.00 71.24 O ATOM 670 CB GLU A 42 -1.789 -13.196 -1.878 1.00 4.20 C ATOM 671 CG GLU A 42 -1.631 -11.829 -1.234 1.00 53.20 C ATOM 672 CD GLU A 42 -1.899 -10.693 -2.203 1.00 64.42 C ATOM 673 OE1 GLU A 42 -1.975 -10.958 -3.421 1.00 62.31 O ATOM 674 OE2 GLU A 42 -2.033 -9.540 -1.743 1.00 55.41 O1- ATOM 0 H GLU A 42 0.099 -14.385 -2.932 1.00 3.13 H new ATOM 0 HA GLU A 42 -0.522 -13.887 -0.285 1.00 54.54 H new ATOM 0 HB2 GLU A 42 -1.450 -13.142 -2.912 1.00 4.20 H new ATOM 0 HB3 GLU A 42 -2.847 -13.456 -1.903 1.00 4.20 H new ATOM 0 HG2 GLU A 42 -2.314 -11.749 -0.388 1.00 53.20 H new ATOM 0 HG3 GLU A 42 -0.620 -11.733 -0.838 1.00 53.20 H new ATOM 681 N ARG A 43 -2.168 -16.410 -1.520 1.00 21.10 N ATOM 682 CA ARG A 43 -3.068 -17.510 -1.192 1.00 30.12 C ATOM 683 C ARG A 43 -2.592 -18.248 0.057 1.00 12.42 C ATOM 684 O ARG A 43 -3.398 -18.755 0.836 1.00 1.21 O ATOM 685 CB ARG A 43 -3.165 -18.485 -2.367 1.00 70.02 C ATOM 686 CG ARG A 43 -4.502 -19.205 -2.451 1.00 75.10 C ATOM 687 CD ARG A 43 -4.373 -20.533 -3.181 1.00 12.50 C ATOM 688 NE ARG A 43 -4.657 -20.403 -4.609 1.00 71.35 N ATOM 689 CZ ARG A 43 -5.875 -20.203 -5.100 1.00 72.04 C ATOM 690 NH1 ARG A 43 -6.916 -20.110 -4.284 1.00 35.13 N1+ ATOM 691 NH2 ARG A 43 -6.052 -20.095 -6.411 1.00 42.13 N ATOM 0 H ARG A 43 -1.705 -16.499 -2.424 1.00 21.10 H new ATOM 0 HA ARG A 43 -4.055 -17.092 -0.993 1.00 30.12 H new ATOM 0 HB2 ARG A 43 -2.996 -17.940 -3.296 1.00 70.02 H new ATOM 0 HB3 ARG A 43 -2.368 -19.224 -2.282 1.00 70.02 H new ATOM 0 HG2 ARG A 43 -4.888 -19.377 -1.446 1.00 75.10 H new ATOM 0 HG3 ARG A 43 -5.225 -18.573 -2.967 1.00 75.10 H new ATOM 0 HD2 ARG A 43 -3.365 -20.924 -3.046 1.00 12.50 H new ATOM 0 HD3 ARG A 43 -5.058 -21.257 -2.740 1.00 12.50 H new ATOM 0 HE ARG A 43 -3.878 -20.469 -5.264 1.00 71.35 H new ATOM 0 HH11 ARG A 43 -6.783 -20.192 -3.276 1.00 35.13 H new ATOM 0 HH12 ARG A 43 -7.850 -19.956 -4.664 1.00 35.13 H new ATOM 0 HH21 ARG A 43 -5.253 -20.166 -7.041 1.00 42.13 H new ATOM 0 HH22 ARG A 43 -6.987 -19.941 -6.788 1.00 42.13 H new ATOM 705 N PHE A 44 -1.277 -18.304 0.239 1.00 51.42 N ATOM 706 CA PHE A 44 -0.693 -18.980 1.391 1.00 43.41 C ATOM 707 C PHE A 44 -0.389 -17.986 2.508 1.00 72.32 C ATOM 708 O PHE A 44 0.520 -18.198 3.311 1.00 50.04 O ATOM 709 CB PHE A 44 0.586 -19.714 0.984 1.00 21.41 C ATOM 710 CG PHE A 44 0.366 -20.760 -0.071 1.00 14.25 C ATOM 711 CD1 PHE A 44 -0.583 -21.754 0.106 1.00 54.24 C ATOM 712 CD2 PHE A 44 1.110 -20.750 -1.241 1.00 65.32 C ATOM 713 CE1 PHE A 44 -0.788 -22.718 -0.864 1.00 41.24 C ATOM 714 CE2 PHE A 44 0.909 -21.711 -2.214 1.00 41.13 C ATOM 715 CZ PHE A 44 -0.040 -22.696 -2.025 1.00 33.00 C ATOM 0 H PHE A 44 -0.596 -17.889 -0.397 1.00 51.42 H new ATOM 0 HA PHE A 44 -1.418 -19.705 1.761 1.00 43.41 H new ATOM 0 HB2 PHE A 44 1.312 -18.988 0.618 1.00 21.41 H new ATOM 0 HB3 PHE A 44 1.022 -20.184 1.865 1.00 21.41 H new ATOM 0 HD1 PHE A 44 -1.170 -21.776 1.012 1.00 54.24 H new ATOM 0 HD2 PHE A 44 1.855 -19.983 -1.394 1.00 65.32 H new ATOM 0 HE1 PHE A 44 -1.532 -23.487 -0.714 1.00 41.24 H new ATOM 0 HE2 PHE A 44 1.494 -21.691 -3.122 1.00 41.13 H new ATOM 0 HZ PHE A 44 -0.197 -23.448 -2.784 1.00 33.00 H new ATOM 725 N ALA A 45 -1.155 -16.901 2.552 1.00 34.33 N ATOM 726 CA ALA A 45 -0.968 -15.875 3.571 1.00 25.44 C ATOM 727 C ALA A 45 0.395 -15.206 3.433 1.00 31.53 C ATOM 728 O ALA A 45 0.933 -14.667 4.400 1.00 1.03 O ATOM 729 CB ALA A 45 -1.127 -16.477 4.960 1.00 52.33 C ATOM 0 H ALA A 45 -1.911 -16.710 1.894 1.00 34.33 H new ATOM 0 HA ALA A 45 -1.733 -15.111 3.429 1.00 25.44 H new ATOM 0 HB1 ALA A 45 -0.985 -15.700 5.712 1.00 52.33 H new ATOM 0 HB2 ALA A 45 -2.126 -16.901 5.061 1.00 52.33 H new ATOM 0 HB3 ALA A 45 -0.384 -17.261 5.104 1.00 52.33 H new ATOM 735 N VAL A 46 0.949 -15.245 2.226 1.00 10.22 N ATOM 736 CA VAL A 46 2.250 -14.642 1.962 1.00 34.03 C ATOM 737 C VAL A 46 2.139 -13.524 0.931 1.00 25.34 C ATOM 738 O VAL A 46 1.806 -13.766 -0.228 1.00 72.31 O ATOM 739 CB VAL A 46 3.263 -15.689 1.460 1.00 23.32 C ATOM 740 CG1 VAL A 46 4.602 -15.034 1.156 1.00 3.45 C ATOM 741 CG2 VAL A 46 3.426 -16.804 2.482 1.00 64.30 C ATOM 0 H VAL A 46 0.517 -15.688 1.415 1.00 10.22 H new ATOM 0 HA VAL A 46 2.604 -14.228 2.906 1.00 34.03 H new ATOM 0 HB VAL A 46 2.881 -16.125 0.537 1.00 23.32 H new ATOM 0 HG11 VAL A 46 5.304 -15.789 0.803 1.00 3.45 H new ATOM 0 HG12 VAL A 46 4.469 -14.274 0.386 1.00 3.45 H new ATOM 0 HG13 VAL A 46 4.993 -14.569 2.061 1.00 3.45 H new ATOM 0 HG21 VAL A 46 4.145 -17.535 2.112 1.00 64.30 H new ATOM 0 HG22 VAL A 46 3.785 -16.386 3.422 1.00 64.30 H new ATOM 0 HG23 VAL A 46 2.465 -17.291 2.645 1.00 64.30 H new ATOM 751 N ASN A 47 2.419 -12.299 1.363 1.00 3.31 N ATOM 752 CA ASN A 47 2.350 -11.142 0.478 1.00 14.34 C ATOM 753 C ASN A 47 3.325 -11.291 -0.688 1.00 2.22 C ATOM 754 O ASN A 47 4.427 -11.819 -0.544 1.00 3.35 O ATOM 755 CB ASN A 47 2.658 -9.860 1.253 1.00 71.44 C ATOM 756 CG ASN A 47 1.401 -9.119 1.668 1.00 32.33 C ATOM 757 OD1 ASN A 47 0.915 -8.248 0.947 1.00 71.23 O ATOM 758 ND2 ASN A 47 0.870 -9.464 2.835 1.00 20.41 N ATOM 0 H ASN A 47 2.696 -12.082 2.320 1.00 3.31 H new ATOM 0 HA ASN A 47 1.338 -11.082 0.078 1.00 14.34 H new ATOM 0 HB2 ASN A 47 3.241 -10.106 2.140 1.00 71.44 H new ATOM 0 HB3 ASN A 47 3.276 -9.206 0.637 1.00 71.44 H new ATOM 0 HD21 ASN A 47 0.024 -9.001 3.167 1.00 20.41 H new ATOM 0 HD22 ASN A 47 1.308 -10.192 3.399 1.00 20.41 H new ATOM 765 N PRO A 48 2.908 -10.813 -1.870 1.00 54.14 N ATOM 766 CA PRO A 48 3.730 -10.880 -3.083 1.00 4.40 C ATOM 767 C PRO A 48 4.935 -9.948 -3.020 1.00 21.32 C ATOM 768 O PRO A 48 5.882 -10.089 -3.793 1.00 45.33 O ATOM 769 CB PRO A 48 2.768 -10.435 -4.187 1.00 42.45 C ATOM 770 CG PRO A 48 1.758 -9.587 -3.492 1.00 53.24 C ATOM 771 CD PRO A 48 1.606 -10.170 -2.115 1.00 75.32 C ATOM 0 HA PRO A 48 4.148 -11.875 -3.237 1.00 4.40 H new ATOM 0 HB2 PRO A 48 3.289 -9.874 -4.963 1.00 42.45 H new ATOM 0 HB3 PRO A 48 2.299 -11.291 -4.672 1.00 42.45 H new ATOM 0 HG2 PRO A 48 2.087 -8.549 -3.442 1.00 53.24 H new ATOM 0 HG3 PRO A 48 0.808 -9.595 -4.026 1.00 53.24 H new ATOM 0 HD2 PRO A 48 1.393 -9.400 -1.374 1.00 75.32 H new ATOM 0 HD3 PRO A 48 0.788 -10.889 -2.071 1.00 75.32 H new ATOM 779 N GLY A 49 4.894 -8.996 -2.092 1.00 44.12 N ATOM 780 CA GLY A 49 5.988 -8.055 -1.945 1.00 74.42 C ATOM 781 C GLY A 49 7.288 -8.734 -1.557 1.00 20.33 C ATOM 782 O GLY A 49 8.373 -8.232 -1.854 1.00 5.12 O ATOM 0 H GLY A 49 4.122 -8.860 -1.439 1.00 44.12 H new ATOM 0 HA2 GLY A 49 6.128 -7.516 -2.882 1.00 74.42 H new ATOM 0 HA3 GLY A 49 5.728 -7.315 -1.188 1.00 74.42 H new ATOM 786 N LEU A 50 7.179 -9.877 -0.889 1.00 75.10 N ATOM 787 CA LEU A 50 8.354 -10.626 -0.458 1.00 54.42 C ATOM 788 C LEU A 50 9.257 -10.953 -1.643 1.00 15.34 C ATOM 789 O LEU A 50 10.465 -11.133 -1.487 1.00 42.23 O ATOM 790 CB LEU A 50 7.932 -11.916 0.247 1.00 3.21 C ATOM 791 CG LEU A 50 7.168 -11.744 1.560 1.00 3.22 C ATOM 792 CD1 LEU A 50 6.916 -13.094 2.212 1.00 24.51 C ATOM 793 CD2 LEU A 50 7.930 -10.826 2.505 1.00 25.10 C ATOM 0 H LEU A 50 6.289 -10.305 -0.634 1.00 75.10 H new ATOM 0 HA LEU A 50 8.913 -10.004 0.241 1.00 54.42 H new ATOM 0 HB2 LEU A 50 7.312 -12.495 -0.438 1.00 3.21 H new ATOM 0 HB3 LEU A 50 8.826 -12.508 0.445 1.00 3.21 H new ATOM 0 HG LEU A 50 6.204 -11.285 1.340 1.00 3.22 H new ATOM 0 HD11 LEU A 50 6.371 -12.951 3.145 1.00 24.51 H new ATOM 0 HD12 LEU A 50 6.327 -13.718 1.540 1.00 24.51 H new ATOM 0 HD13 LEU A 50 7.869 -13.582 2.419 1.00 24.51 H new ATOM 0 HD21 LEU A 50 7.371 -10.715 3.434 1.00 25.10 H new ATOM 0 HD22 LEU A 50 8.909 -11.256 2.719 1.00 25.10 H new ATOM 0 HD23 LEU A 50 8.057 -9.849 2.039 1.00 25.10 H new ATOM 805 N LEU A 51 8.663 -11.028 -2.830 1.00 60.15 N ATOM 806 CA LEU A 51 9.414 -11.331 -4.043 1.00 22.12 C ATOM 807 C LEU A 51 10.240 -10.129 -4.487 1.00 12.51 C ATOM 808 O LEU A 51 11.277 -10.281 -5.133 1.00 3.45 O ATOM 809 CB LEU A 51 8.460 -11.751 -5.164 1.00 73.41 C ATOM 810 CG LEU A 51 7.640 -13.016 -4.907 1.00 53.01 C ATOM 811 CD1 LEU A 51 6.724 -13.306 -6.086 1.00 11.32 C ATOM 812 CD2 LEU A 51 8.556 -14.201 -4.637 1.00 10.02 C ATOM 0 H LEU A 51 7.664 -10.883 -2.978 1.00 60.15 H new ATOM 0 HA LEU A 51 10.094 -12.154 -3.824 1.00 22.12 H new ATOM 0 HB2 LEU A 51 7.771 -10.928 -5.356 1.00 73.41 H new ATOM 0 HB3 LEU A 51 9.042 -11.898 -6.074 1.00 73.41 H new ATOM 0 HG LEU A 51 7.022 -12.852 -4.024 1.00 53.01 H new ATOM 0 HD11 LEU A 51 6.148 -14.210 -5.886 1.00 11.32 H new ATOM 0 HD12 LEU A 51 6.044 -12.467 -6.233 1.00 11.32 H new ATOM 0 HD13 LEU A 51 7.323 -13.449 -6.985 1.00 11.32 H new ATOM 0 HD21 LEU A 51 7.955 -15.092 -4.456 1.00 10.02 H new ATOM 0 HD22 LEU A 51 9.200 -14.367 -5.500 1.00 10.02 H new ATOM 0 HD23 LEU A 51 9.170 -13.994 -3.761 1.00 10.02 H new ATOM 824 N GLU A 52 9.774 -8.934 -4.135 1.00 30.53 N ATOM 825 CA GLU A 52 10.472 -7.706 -4.497 1.00 10.14 C ATOM 826 C GLU A 52 11.697 -7.495 -3.611 1.00 45.50 C ATOM 827 O GLU A 52 12.481 -6.570 -3.826 1.00 40.13 O ATOM 828 CB GLU A 52 9.530 -6.505 -4.380 1.00 34.52 C ATOM 829 CG GLU A 52 10.137 -5.206 -4.881 1.00 53.34 C ATOM 830 CD GLU A 52 9.091 -4.146 -5.168 1.00 52.40 C ATOM 831 OE1 GLU A 52 8.058 -4.484 -5.783 1.00 14.32 O ATOM 832 OE2 GLU A 52 9.304 -2.979 -4.778 1.00 74.30 O1- ATOM 0 H GLU A 52 8.917 -8.791 -3.600 1.00 30.53 H new ATOM 0 HA GLU A 52 10.805 -7.798 -5.531 1.00 10.14 H new ATOM 0 HB2 GLU A 52 8.619 -6.712 -4.942 1.00 34.52 H new ATOM 0 HB3 GLU A 52 9.239 -6.382 -3.337 1.00 34.52 H new ATOM 0 HG2 GLU A 52 10.839 -4.827 -4.138 1.00 53.34 H new ATOM 0 HG3 GLU A 52 10.708 -5.402 -5.788 1.00 53.34 H new ATOM 839 N THR A 53 11.854 -8.359 -2.613 1.00 0.53 N ATOM 840 CA THR A 53 12.981 -8.267 -1.695 1.00 73.45 C ATOM 841 C THR A 53 13.711 -9.602 -1.584 1.00 5.33 C ATOM 842 O THR A 53 13.093 -10.640 -1.351 1.00 24.15 O ATOM 843 CB THR A 53 12.526 -7.826 -0.290 1.00 20.14 C ATOM 844 OG1 THR A 53 11.840 -8.901 0.363 1.00 33.21 O ATOM 845 CG2 THR A 53 11.614 -6.612 -0.374 1.00 63.35 C ATOM 0 H THR A 53 11.215 -9.130 -2.420 1.00 0.53 H new ATOM 0 HA THR A 53 13.660 -7.517 -2.102 1.00 73.45 H new ATOM 0 HB THR A 53 13.411 -7.557 0.287 1.00 20.14 H new ATOM 0 HG1 THR A 53 11.606 -9.588 -0.296 1.00 33.21 H new ATOM 0 HG21 THR A 53 11.305 -6.319 0.629 1.00 63.35 H new ATOM 0 HG22 THR A 53 12.149 -5.787 -0.845 1.00 63.35 H new ATOM 0 HG23 THR A 53 10.733 -6.859 -0.967 1.00 63.35 H new ATOM 853 N SER A 54 15.028 -9.566 -1.751 1.00 53.45 N ATOM 854 CA SER A 54 15.842 -10.773 -1.674 1.00 53.00 C ATOM 855 C SER A 54 15.621 -11.492 -0.347 1.00 70.23 C ATOM 856 O SER A 54 15.797 -12.706 -0.251 1.00 64.41 O ATOM 857 CB SER A 54 17.323 -10.427 -1.838 1.00 51.33 C ATOM 858 OG SER A 54 17.492 -9.067 -2.200 1.00 53.11 O ATOM 0 H SER A 54 15.555 -8.714 -1.941 1.00 53.45 H new ATOM 0 HA SER A 54 15.540 -11.437 -2.484 1.00 53.00 H new ATOM 0 HB2 SER A 54 17.852 -10.627 -0.906 1.00 51.33 H new ATOM 0 HB3 SER A 54 17.767 -11.067 -2.600 1.00 51.33 H new ATOM 0 HG SER A 54 18.447 -8.871 -2.297 1.00 53.11 H new ATOM 864 N GLU A 55 15.235 -10.733 0.674 1.00 32.11 N ATOM 865 CA GLU A 55 14.991 -11.298 1.996 1.00 14.22 C ATOM 866 C GLU A 55 13.657 -12.039 2.033 1.00 52.53 C ATOM 867 O GLU A 55 13.572 -13.161 2.529 1.00 33.41 O ATOM 868 CB GLU A 55 15.004 -10.195 3.057 1.00 34.33 C ATOM 869 CG GLU A 55 15.505 -10.662 4.414 1.00 14.43 C ATOM 870 CD GLU A 55 15.803 -9.509 5.352 1.00 73.31 C ATOM 871 OE1 GLU A 55 16.840 -8.840 5.162 1.00 34.33 O1- ATOM 872 OE2 GLU A 55 14.998 -9.276 6.278 1.00 25.34 O ATOM 0 H GLU A 55 15.085 -9.726 0.611 1.00 32.11 H new ATOM 0 HA GLU A 55 15.788 -12.009 2.212 1.00 14.22 H new ATOM 0 HB2 GLU A 55 15.633 -9.375 2.709 1.00 34.33 H new ATOM 0 HB3 GLU A 55 13.995 -9.798 3.169 1.00 34.33 H new ATOM 0 HG2 GLU A 55 14.758 -11.312 4.869 1.00 14.43 H new ATOM 0 HG3 GLU A 55 16.407 -11.258 4.279 1.00 14.43 H new ATOM 879 N GLY A 56 12.618 -11.401 1.504 1.00 65.23 N ATOM 880 CA GLY A 56 11.301 -12.013 1.488 1.00 51.33 C ATOM 881 C GLY A 56 11.298 -13.362 0.797 1.00 52.14 C ATOM 882 O GLY A 56 10.688 -14.314 1.284 1.00 74.30 O ATOM 0 H GLY A 56 12.664 -10.472 1.086 1.00 65.23 H new ATOM 0 HA2 GLY A 56 10.946 -12.132 2.512 1.00 51.33 H new ATOM 0 HA3 GLY A 56 10.601 -11.348 0.983 1.00 51.33 H new ATOM 886 N CYS A 57 11.980 -13.444 -0.340 1.00 14.25 N ATOM 887 CA CYS A 57 12.052 -14.687 -1.100 1.00 1.35 C ATOM 888 C CYS A 57 12.566 -15.829 -0.229 1.00 1.41 C ATOM 889 O CYS A 57 12.047 -16.944 -0.280 1.00 41.34 O ATOM 890 CB CYS A 57 12.958 -14.512 -2.319 1.00 34.03 C ATOM 891 SG CYS A 57 12.073 -14.460 -3.896 1.00 73.23 S ATOM 0 H CYS A 57 12.491 -12.665 -0.756 1.00 14.25 H new ATOM 0 HA CYS A 57 11.046 -14.936 -1.437 1.00 1.35 H new ATOM 0 HB2 CYS A 57 13.529 -13.591 -2.205 1.00 34.03 H new ATOM 0 HB3 CYS A 57 13.677 -15.331 -2.345 1.00 34.03 H new ATOM 0 HG CYS A 57 12.924 -14.307 -4.867 1.00 73.23 H new ATOM 897 N ARG A 58 13.590 -15.542 0.569 1.00 14.50 N ATOM 898 CA ARG A 58 14.176 -16.545 1.449 1.00 35.02 C ATOM 899 C ARG A 58 13.103 -17.215 2.302 1.00 34.02 C ATOM 900 O ARG A 58 13.072 -18.438 2.429 1.00 35.31 O ATOM 901 CB ARG A 58 15.235 -15.907 2.351 1.00 21.12 C ATOM 902 CG ARG A 58 16.113 -16.919 3.070 1.00 40.31 C ATOM 903 CD ARG A 58 17.460 -17.075 2.380 1.00 25.41 C ATOM 904 NE ARG A 58 18.445 -16.122 2.882 1.00 31.11 N ATOM 905 CZ ARG A 58 19.082 -16.263 4.039 1.00 62.24 C ATOM 906 NH1 ARG A 58 18.837 -17.313 4.810 1.00 61.42 N1+ ATOM 907 NH2 ARG A 58 19.965 -15.352 4.427 1.00 74.41 N ATOM 0 H ARG A 58 14.030 -14.624 0.624 1.00 14.50 H new ATOM 0 HA ARG A 58 14.648 -17.306 0.827 1.00 35.02 H new ATOM 0 HB2 ARG A 58 15.867 -15.253 1.749 1.00 21.12 H new ATOM 0 HB3 ARG A 58 14.739 -15.278 3.091 1.00 21.12 H new ATOM 0 HG2 ARG A 58 16.266 -16.602 4.102 1.00 40.31 H new ATOM 0 HG3 ARG A 58 15.606 -17.883 3.104 1.00 40.31 H new ATOM 0 HD2 ARG A 58 17.829 -18.090 2.529 1.00 25.41 H new ATOM 0 HD3 ARG A 58 17.336 -16.936 1.306 1.00 25.41 H new ATOM 0 HE ARG A 58 18.656 -15.302 2.313 1.00 31.11 H new ATOM 0 HH11 ARG A 58 18.158 -18.015 4.515 1.00 61.42 H new ATOM 0 HH12 ARG A 58 19.327 -17.419 5.698 1.00 61.42 H new ATOM 0 HH21 ARG A 58 20.155 -14.542 3.837 1.00 74.41 H new ATOM 0 HH22 ARG A 58 20.454 -15.461 5.316 1.00 74.41 H new ATOM 921 N GLN A 59 12.224 -16.404 2.883 1.00 53.54 N ATOM 922 CA GLN A 59 11.150 -16.919 3.724 1.00 53.13 C ATOM 923 C GLN A 59 10.204 -17.802 2.919 1.00 13.14 C ATOM 924 O GLN A 59 9.604 -18.735 3.454 1.00 73.21 O ATOM 925 CB GLN A 59 10.373 -15.764 4.358 1.00 71.01 C ATOM 926 CG GLN A 59 10.854 -15.401 5.754 1.00 1.32 C ATOM 927 CD GLN A 59 9.722 -15.322 6.759 1.00 44.24 C ATOM 928 OE1 GLN A 59 9.653 -16.116 7.697 1.00 73.34 O ATOM 929 NE2 GLN A 59 8.827 -14.360 6.568 1.00 3.44 N ATOM 0 H GLN A 59 12.235 -15.389 2.787 1.00 53.54 H new ATOM 0 HA GLN A 59 11.598 -17.523 4.513 1.00 53.13 H new ATOM 0 HB2 GLN A 59 10.453 -14.887 3.716 1.00 71.01 H new ATOM 0 HB3 GLN A 59 9.317 -16.030 4.404 1.00 71.01 H new ATOM 0 HG2 GLN A 59 11.580 -16.142 6.088 1.00 1.32 H new ATOM 0 HG3 GLN A 59 11.371 -14.442 5.718 1.00 1.32 H new ATOM 0 HE21 GLN A 59 8.923 -13.724 5.777 1.00 3.44 H new ATOM 0 HE22 GLN A 59 8.043 -14.257 7.213 1.00 3.44 H new ATOM 938 N ILE A 60 10.076 -17.503 1.630 1.00 25.13 N ATOM 939 CA ILE A 60 9.203 -18.271 0.752 1.00 13.10 C ATOM 940 C ILE A 60 9.828 -19.616 0.395 1.00 64.12 C ATOM 941 O ILE A 60 9.139 -20.637 0.335 1.00 42.34 O ATOM 942 CB ILE A 60 8.892 -17.502 -0.547 1.00 61.24 C ATOM 943 CG1 ILE A 60 8.325 -16.118 -0.221 1.00 31.34 C ATOM 944 CG2 ILE A 60 7.919 -18.291 -1.409 1.00 12.21 C ATOM 945 CD1 ILE A 60 8.203 -15.217 -1.430 1.00 3.20 C ATOM 0 H ILE A 60 10.566 -16.735 1.171 1.00 25.13 H new ATOM 0 HA ILE A 60 8.274 -18.437 1.298 1.00 13.10 H new ATOM 0 HB ILE A 60 9.818 -17.372 -1.107 1.00 61.24 H new ATOM 0 HG12 ILE A 60 7.342 -16.235 0.236 1.00 31.34 H new ATOM 0 HG13 ILE A 60 8.965 -15.637 0.518 1.00 31.34 H new ATOM 0 HG21 ILE A 60 7.709 -17.735 -2.323 1.00 12.21 H new ATOM 0 HG22 ILE A 60 8.358 -19.255 -1.664 1.00 12.21 H new ATOM 0 HG23 ILE A 60 6.991 -18.449 -0.859 1.00 12.21 H new ATOM 0 HD11 ILE A 60 7.795 -14.253 -1.126 1.00 3.20 H new ATOM 0 HD12 ILE A 60 9.187 -15.070 -1.875 1.00 3.20 H new ATOM 0 HD13 ILE A 60 7.539 -15.678 -2.162 1.00 3.20 H new ATOM 957 N LEU A 61 11.135 -19.612 0.161 1.00 41.14 N ATOM 958 CA LEU A 61 11.854 -20.832 -0.188 1.00 54.21 C ATOM 959 C LEU A 61 12.060 -21.712 1.041 1.00 33.25 C ATOM 960 O LEU A 61 12.145 -22.935 0.933 1.00 44.11 O ATOM 961 CB LEU A 61 13.206 -20.488 -0.816 1.00 31.43 C ATOM 962 CG LEU A 61 13.157 -19.690 -2.119 1.00 40.34 C ATOM 963 CD1 LEU A 61 14.256 -18.639 -2.143 1.00 43.32 C ATOM 964 CD2 LEU A 61 13.279 -20.618 -3.318 1.00 12.54 C ATOM 0 H LEU A 61 11.719 -18.777 0.207 1.00 41.14 H new ATOM 0 HA LEU A 61 11.254 -21.384 -0.911 1.00 54.21 H new ATOM 0 HB2 LEU A 61 13.789 -19.922 -0.089 1.00 31.43 H new ATOM 0 HB3 LEU A 61 13.744 -21.417 -1.002 1.00 31.43 H new ATOM 0 HG LEU A 61 12.194 -19.182 -2.175 1.00 40.34 H new ATOM 0 HD11 LEU A 61 14.205 -18.081 -3.078 1.00 43.32 H new ATOM 0 HD12 LEU A 61 14.124 -17.955 -1.305 1.00 43.32 H new ATOM 0 HD13 LEU A 61 15.228 -19.127 -2.064 1.00 43.32 H new ATOM 0 HD21 LEU A 61 13.242 -20.032 -4.237 1.00 12.54 H new ATOM 0 HD22 LEU A 61 14.226 -21.155 -3.268 1.00 12.54 H new ATOM 0 HD23 LEU A 61 12.456 -21.333 -3.310 1.00 12.54 H new ATOM 976 N GLY A 62 12.139 -21.082 2.209 1.00 53.42 N ATOM 977 CA GLY A 62 12.333 -21.823 3.441 1.00 51.22 C ATOM 978 C GLY A 62 11.128 -22.668 3.804 1.00 62.11 C ATOM 979 O GLY A 62 11.270 -23.743 4.386 1.00 62.22 O ATOM 0 H GLY A 62 12.072 -20.071 2.324 1.00 53.42 H new ATOM 0 HA2 GLY A 62 13.207 -22.466 3.341 1.00 51.22 H new ATOM 0 HA3 GLY A 62 12.542 -21.125 4.252 1.00 51.22 H new ATOM 983 N GLN A 63 9.940 -22.181 3.460 1.00 61.32 N ATOM 984 CA GLN A 63 8.706 -22.899 3.757 1.00 2.23 C ATOM 985 C GLN A 63 8.397 -23.922 2.669 1.00 54.32 C ATOM 986 O GLN A 63 7.734 -24.930 2.920 1.00 72.25 O ATOM 987 CB GLN A 63 7.541 -21.917 3.895 1.00 61.34 C ATOM 988 CG GLN A 63 7.157 -21.629 5.338 1.00 33.10 C ATOM 989 CD GLN A 63 5.695 -21.259 5.490 1.00 34.41 C ATOM 990 OE1 GLN A 63 4.839 -22.125 5.674 1.00 35.33 O ATOM 991 NE2 GLN A 63 5.400 -19.967 5.415 1.00 4.11 N ATOM 0 H GLN A 63 9.806 -21.293 2.976 1.00 61.32 H new ATOM 0 HA GLN A 63 8.841 -23.428 4.701 1.00 2.23 H new ATOM 0 HB2 GLN A 63 7.806 -20.980 3.404 1.00 61.34 H new ATOM 0 HB3 GLN A 63 6.674 -22.318 3.370 1.00 61.34 H new ATOM 0 HG2 GLN A 63 7.371 -22.506 5.949 1.00 33.10 H new ATOM 0 HG3 GLN A 63 7.775 -20.816 5.719 1.00 33.10 H new ATOM 0 HE21 GLN A 63 6.141 -19.283 5.261 1.00 4.11 H new ATOM 0 HE22 GLN A 63 4.433 -19.658 5.511 1.00 4.11 H new ATOM 1000 N LEU A 64 8.881 -23.658 1.461 1.00 1.43 N ATOM 1001 CA LEU A 64 8.656 -24.556 0.333 1.00 23.20 C ATOM 1002 C LEU A 64 9.706 -25.661 0.299 1.00 72.03 C ATOM 1003 O LEU A 64 9.461 -26.747 -0.225 1.00 41.11 O ATOM 1004 CB LEU A 64 8.679 -23.772 -0.980 1.00 14.43 C ATOM 1005 CG LEU A 64 7.466 -22.882 -1.254 1.00 74.01 C ATOM 1006 CD1 LEU A 64 7.631 -22.146 -2.574 1.00 42.13 C ATOM 1007 CD2 LEU A 64 6.188 -23.708 -1.258 1.00 33.21 C ATOM 0 H LEU A 64 9.432 -22.829 1.237 1.00 1.43 H new ATOM 0 HA LEU A 64 7.676 -25.017 0.456 1.00 23.20 H new ATOM 0 HB2 LEU A 64 9.572 -23.147 -0.991 1.00 14.43 H new ATOM 0 HB3 LEU A 64 8.776 -24.482 -1.802 1.00 14.43 H new ATOM 0 HG LEU A 64 7.395 -22.143 -0.456 1.00 74.01 H new ATOM 0 HD11 LEU A 64 6.758 -21.518 -2.752 1.00 42.13 H new ATOM 0 HD12 LEU A 64 8.524 -21.523 -2.534 1.00 42.13 H new ATOM 0 HD13 LEU A 64 7.729 -22.869 -3.384 1.00 42.13 H new ATOM 0 HD21 LEU A 64 5.335 -23.058 -1.455 1.00 33.21 H new ATOM 0 HD22 LEU A 64 6.250 -24.470 -2.035 1.00 33.21 H new ATOM 0 HD23 LEU A 64 6.062 -24.188 -0.288 1.00 33.21 H new ATOM 1019 N GLN A 65 10.876 -25.375 0.862 1.00 70.30 N ATOM 1020 CA GLN A 65 11.964 -26.346 0.898 1.00 5.25 C ATOM 1021 C GLN A 65 11.487 -27.677 1.470 1.00 43.03 C ATOM 1022 O GLN A 65 11.515 -28.712 0.805 1.00 65.35 O ATOM 1023 CB GLN A 65 13.129 -25.807 1.729 1.00 32.43 C ATOM 1024 CG GLN A 65 14.270 -25.254 0.889 1.00 65.42 C ATOM 1025 CD GLN A 65 15.306 -26.307 0.547 1.00 21.34 C ATOM 1026 OE1 GLN A 65 14.985 -27.344 -0.035 1.00 50.22 O ATOM 1027 NE2 GLN A 65 16.557 -26.046 0.907 1.00 20.43 N ATOM 0 H GLN A 65 11.095 -24.480 1.299 1.00 70.30 H new ATOM 0 HA GLN A 65 12.303 -26.512 -0.124 1.00 5.25 H new ATOM 0 HB2 GLN A 65 12.761 -25.022 2.389 1.00 32.43 H new ATOM 0 HB3 GLN A 65 13.511 -26.605 2.365 1.00 32.43 H new ATOM 0 HG2 GLN A 65 13.867 -24.833 -0.032 1.00 65.42 H new ATOM 0 HG3 GLN A 65 14.751 -24.438 1.428 1.00 65.42 H new ATOM 0 HE21 GLN A 65 16.778 -25.174 1.388 1.00 20.43 H new ATOM 0 HE22 GLN A 65 17.297 -26.718 0.703 1.00 20.43 H new ATOM 1036 N PRO A 66 11.039 -27.650 2.735 1.00 34.41 N ATOM 1037 CA PRO A 66 10.548 -28.847 3.425 1.00 52.21 C ATOM 1038 C PRO A 66 9.219 -29.337 2.861 1.00 72.13 C ATOM 1039 O PRO A 66 8.820 -30.479 3.089 1.00 74.34 O ATOM 1040 CB PRO A 66 10.374 -28.376 4.871 1.00 43.31 C ATOM 1041 CG PRO A 66 10.162 -26.905 4.767 1.00 15.41 C ATOM 1042 CD PRO A 66 10.977 -26.451 3.587 1.00 34.41 C ATOM 0 HA PRO A 66 11.231 -29.690 3.316 1.00 52.21 H new ATOM 0 HB2 PRO A 66 9.525 -28.866 5.347 1.00 43.31 H new ATOM 0 HB3 PRO A 66 11.254 -28.608 5.472 1.00 43.31 H new ATOM 0 HG2 PRO A 66 9.107 -26.672 4.625 1.00 15.41 H new ATOM 0 HG3 PRO A 66 10.480 -26.399 5.679 1.00 15.41 H new ATOM 0 HD2 PRO A 66 10.506 -25.615 3.071 1.00 34.41 H new ATOM 0 HD3 PRO A 66 11.971 -26.120 3.888 1.00 34.41 H new ATOM 1050 N SER A 67 8.538 -28.467 2.123 1.00 30.41 N ATOM 1051 CA SER A 67 7.251 -28.811 1.529 1.00 11.34 C ATOM 1052 C SER A 67 7.444 -29.592 0.232 1.00 25.14 C ATOM 1053 O SER A 67 6.587 -30.385 -0.162 1.00 21.44 O ATOM 1054 CB SER A 67 6.436 -27.546 1.258 1.00 44.33 C ATOM 1055 OG SER A 67 5.046 -27.820 1.278 1.00 25.24 O ATOM 0 H SER A 67 8.855 -27.519 1.922 1.00 30.41 H new ATOM 0 HA SER A 67 6.709 -29.440 2.235 1.00 11.34 H new ATOM 0 HB2 SER A 67 6.672 -26.791 2.008 1.00 44.33 H new ATOM 0 HB3 SER A 67 6.714 -27.131 0.289 1.00 44.33 H new ATOM 0 HG SER A 67 4.560 -27.025 1.581 1.00 25.24 H new ATOM 1061 N LEU A 68 8.573 -29.362 -0.428 1.00 1.32 N ATOM 1062 CA LEU A 68 8.880 -30.043 -1.681 1.00 4.23 C ATOM 1063 C LEU A 68 8.738 -31.554 -1.528 1.00 34.23 C ATOM 1064 O LEU A 68 8.401 -32.255 -2.482 1.00 21.12 O ATOM 1065 CB LEU A 68 10.297 -29.696 -2.139 1.00 23.11 C ATOM 1066 CG LEU A 68 10.481 -28.313 -2.764 1.00 43.32 C ATOM 1067 CD1 LEU A 68 11.865 -27.766 -2.452 1.00 21.21 C ATOM 1068 CD2 LEU A 68 10.255 -28.372 -4.268 1.00 74.34 C ATOM 0 H LEU A 68 9.292 -28.709 -0.116 1.00 1.32 H new ATOM 0 HA LEU A 68 8.169 -29.704 -2.434 1.00 4.23 H new ATOM 0 HB2 LEU A 68 10.964 -29.777 -1.281 1.00 23.11 H new ATOM 0 HB3 LEU A 68 10.617 -30.445 -2.863 1.00 23.11 H new ATOM 0 HG LEU A 68 9.741 -27.639 -2.332 1.00 43.32 H new ATOM 0 HD11 LEU A 68 11.978 -26.781 -2.905 1.00 21.21 H new ATOM 0 HD12 LEU A 68 11.989 -27.685 -1.372 1.00 21.21 H new ATOM 0 HD13 LEU A 68 12.622 -28.439 -2.855 1.00 21.21 H new ATOM 0 HD21 LEU A 68 10.390 -27.378 -4.695 1.00 74.34 H new ATOM 0 HD22 LEU A 68 10.971 -29.061 -4.717 1.00 74.34 H new ATOM 0 HD23 LEU A 68 9.242 -28.719 -4.470 1.00 74.34 H new ATOM 1080 N GLN A 69 8.995 -32.049 -0.321 1.00 64.11 N ATOM 1081 CA GLN A 69 8.895 -33.477 -0.043 1.00 43.51 C ATOM 1082 C GLN A 69 7.528 -34.016 -0.455 1.00 75.53 C ATOM 1083 O GLN A 69 7.432 -35.033 -1.143 1.00 74.32 O ATOM 1084 CB GLN A 69 9.137 -33.747 1.442 1.00 21.31 C ATOM 1085 CG GLN A 69 9.985 -34.981 1.706 1.00 5.40 C ATOM 1086 CD GLN A 69 10.370 -35.123 3.165 1.00 23.45 C ATOM 1087 OE1 GLN A 69 9.510 -35.139 4.047 1.00 64.44 O ATOM 1088 NE2 GLN A 69 11.666 -35.229 3.428 1.00 53.02 N ATOM 0 H GLN A 69 9.274 -31.482 0.480 1.00 64.11 H new ATOM 0 HA GLN A 69 9.659 -33.990 -0.627 1.00 43.51 H new ATOM 0 HB2 GLN A 69 9.625 -32.879 1.886 1.00 21.31 H new ATOM 0 HB3 GLN A 69 8.176 -33.863 1.943 1.00 21.31 H new ATOM 0 HG2 GLN A 69 9.436 -35.869 1.391 1.00 5.40 H new ATOM 0 HG3 GLN A 69 10.889 -34.933 1.099 1.00 5.40 H new ATOM 0 HE21 GLN A 69 12.344 -35.211 2.666 1.00 53.02 H new ATOM 0 HE22 GLN A 69 11.984 -35.329 4.392 1.00 53.02 H new ATOM 1097 N THR A 70 6.474 -33.329 -0.029 1.00 3.02 N ATOM 1098 CA THR A 70 5.113 -33.739 -0.352 1.00 21.21 C ATOM 1099 C THR A 70 4.336 -32.602 -1.006 1.00 62.42 C ATOM 1100 O THR A 70 3.163 -32.385 -0.704 1.00 73.24 O ATOM 1101 CB THR A 70 4.355 -34.209 0.905 1.00 4.31 C ATOM 1102 OG1 THR A 70 5.284 -34.622 1.912 1.00 15.40 O ATOM 1103 CG2 THR A 70 3.415 -35.357 0.572 1.00 73.03 C ATOM 0 H THR A 70 6.536 -32.485 0.541 1.00 3.02 H new ATOM 0 HA THR A 70 5.191 -34.571 -1.052 1.00 21.21 H new ATOM 0 HB THR A 70 3.764 -33.373 1.279 1.00 4.31 H new ATOM 0 HG1 THR A 70 4.794 -34.917 2.708 1.00 15.40 H new ATOM 0 HG21 THR A 70 2.891 -35.672 1.475 1.00 73.03 H new ATOM 0 HG22 THR A 70 2.690 -35.029 -0.173 1.00 73.03 H new ATOM 0 HG23 THR A 70 3.989 -36.194 0.175 1.00 73.03 H new ATOM 1111 N GLY A 71 4.997 -31.880 -1.905 1.00 42.45 N ATOM 1112 CA GLY A 71 4.352 -30.774 -2.587 1.00 42.51 C ATOM 1113 C GLY A 71 3.604 -31.217 -3.830 1.00 45.12 C ATOM 1114 O GLY A 71 3.717 -32.367 -4.254 1.00 52.24 O ATOM 0 H GLY A 71 5.968 -32.041 -2.173 1.00 42.45 H new ATOM 0 HA2 GLY A 71 3.658 -30.285 -1.904 1.00 42.51 H new ATOM 0 HA3 GLY A 71 5.103 -30.033 -2.863 1.00 42.51 H new ATOM 1118 N SER A 72 2.834 -30.303 -4.412 1.00 54.11 N ATOM 1119 CA SER A 72 2.060 -30.607 -5.610 1.00 4.21 C ATOM 1120 C SER A 72 2.585 -29.824 -6.810 1.00 61.41 C ATOM 1121 O SER A 72 3.582 -29.109 -6.709 1.00 2.33 O ATOM 1122 CB SER A 72 0.582 -30.283 -5.383 1.00 20.30 C ATOM 1123 OG SER A 72 0.389 -28.893 -5.190 1.00 2.41 O ATOM 0 H SER A 72 2.730 -29.346 -4.074 1.00 54.11 H new ATOM 0 HA SER A 72 2.164 -31.672 -5.819 1.00 4.21 H new ATOM 0 HB2 SER A 72 -0.003 -30.619 -6.239 1.00 20.30 H new ATOM 0 HB3 SER A 72 0.216 -30.828 -4.513 1.00 20.30 H new ATOM 0 HG SER A 72 -0.564 -28.712 -5.049 1.00 2.41 H new ATOM 1129 N GLU A 73 1.907 -29.967 -7.944 1.00 52.43 N ATOM 1130 CA GLU A 73 2.306 -29.275 -9.165 1.00 62.54 C ATOM 1131 C GLU A 73 2.465 -27.778 -8.913 1.00 0.41 C ATOM 1132 O GLU A 73 3.379 -27.144 -9.438 1.00 52.00 O ATOM 1133 CB GLU A 73 1.275 -29.510 -10.271 1.00 33.00 C ATOM 1134 CG GLU A 73 1.867 -29.476 -11.671 1.00 62.33 C ATOM 1135 CD GLU A 73 1.062 -28.615 -12.623 1.00 45.44 C ATOM 1136 OE1 GLU A 73 -0.121 -28.938 -12.859 1.00 61.21 O ATOM 1137 OE2 GLU A 73 1.614 -27.617 -13.133 1.00 64.04 O1- ATOM 0 H GLU A 73 1.080 -30.555 -8.043 1.00 52.43 H new ATOM 0 HA GLU A 73 3.268 -29.678 -9.483 1.00 62.54 H new ATOM 0 HB2 GLU A 73 0.797 -30.476 -10.111 1.00 33.00 H new ATOM 0 HB3 GLU A 73 0.495 -28.752 -10.197 1.00 33.00 H new ATOM 0 HG2 GLU A 73 2.888 -29.098 -11.621 1.00 62.33 H new ATOM 0 HG3 GLU A 73 1.922 -30.492 -12.063 1.00 62.33 H new ATOM 1144 N GLU A 74 1.567 -27.221 -8.107 1.00 64.12 N ATOM 1145 CA GLU A 74 1.608 -25.798 -7.787 1.00 4.04 C ATOM 1146 C GLU A 74 2.831 -25.466 -6.939 1.00 42.14 C ATOM 1147 O GLU A 74 3.528 -24.482 -7.193 1.00 75.41 O ATOM 1148 CB GLU A 74 0.333 -25.382 -7.049 1.00 61.41 C ATOM 1149 CG GLU A 74 -0.808 -24.994 -7.974 1.00 50.13 C ATOM 1150 CD GLU A 74 -1.510 -26.197 -8.571 1.00 23.22 C ATOM 1151 OE1 GLU A 74 -2.162 -26.942 -7.809 1.00 2.01 O ATOM 1152 OE2 GLU A 74 -1.409 -26.395 -9.800 1.00 4.13 O1- ATOM 0 H GLU A 74 0.803 -27.732 -7.664 1.00 64.12 H new ATOM 0 HA GLU A 74 1.675 -25.243 -8.723 1.00 4.04 H new ATOM 0 HB2 GLU A 74 0.008 -26.204 -6.411 1.00 61.41 H new ATOM 0 HB3 GLU A 74 0.561 -24.541 -6.394 1.00 61.41 H new ATOM 0 HG2 GLU A 74 -1.531 -24.394 -7.421 1.00 50.13 H new ATOM 0 HG3 GLU A 74 -0.422 -24.367 -8.778 1.00 50.13 H new ATOM 1159 N LEU A 75 3.086 -26.291 -5.930 1.00 34.24 N ATOM 1160 CA LEU A 75 4.226 -26.085 -5.043 1.00 30.20 C ATOM 1161 C LEU A 75 5.540 -26.196 -5.809 1.00 41.54 C ATOM 1162 O LEU A 75 6.531 -25.556 -5.457 1.00 75.34 O ATOM 1163 CB LEU A 75 4.201 -27.105 -3.902 1.00 3.25 C ATOM 1164 CG LEU A 75 4.790 -26.639 -2.571 1.00 2.22 C ATOM 1165 CD1 LEU A 75 3.735 -26.682 -1.476 1.00 33.13 C ATOM 1166 CD2 LEU A 75 5.991 -27.491 -2.192 1.00 71.42 C ATOM 0 H LEU A 75 2.519 -27.109 -5.705 1.00 34.24 H new ATOM 0 HA LEU A 75 4.153 -25.080 -4.627 1.00 30.20 H new ATOM 0 HB2 LEU A 75 3.167 -27.406 -3.733 1.00 3.25 H new ATOM 0 HB3 LEU A 75 4.743 -27.994 -4.225 1.00 3.25 H new ATOM 0 HG LEU A 75 5.124 -25.608 -2.684 1.00 2.22 H new ATOM 0 HD11 LEU A 75 4.173 -26.347 -0.536 1.00 33.13 H new ATOM 0 HD12 LEU A 75 2.906 -26.027 -1.744 1.00 33.13 H new ATOM 0 HD13 LEU A 75 3.370 -27.703 -1.363 1.00 33.13 H new ATOM 0 HD21 LEU A 75 6.397 -27.145 -1.242 1.00 71.42 H new ATOM 0 HD22 LEU A 75 5.683 -28.532 -2.097 1.00 71.42 H new ATOM 0 HD23 LEU A 75 6.755 -27.408 -2.965 1.00 71.42 H new ATOM 1178 N ARG A 76 5.540 -27.009 -6.860 1.00 21.43 N ATOM 1179 CA ARG A 76 6.731 -27.202 -7.678 1.00 72.53 C ATOM 1180 C ARG A 76 7.032 -25.955 -8.502 1.00 52.42 C ATOM 1181 O ARG A 76 8.141 -25.422 -8.458 1.00 54.51 O ATOM 1182 CB ARG A 76 6.551 -28.407 -8.603 1.00 33.33 C ATOM 1183 CG ARG A 76 6.820 -29.741 -7.926 1.00 44.11 C ATOM 1184 CD ARG A 76 6.845 -30.882 -8.931 1.00 4.43 C ATOM 1185 NE ARG A 76 8.188 -31.425 -9.108 1.00 34.23 N ATOM 1186 CZ ARG A 76 8.792 -32.200 -8.213 1.00 13.14 C ATOM 1187 NH1 ARG A 76 8.174 -32.521 -7.086 1.00 71.14 N1+ ATOM 1188 NH2 ARG A 76 10.016 -32.656 -8.447 1.00 71.31 N ATOM 0 H ARG A 76 4.728 -27.545 -7.165 1.00 21.43 H new ATOM 0 HA ARG A 76 7.573 -27.388 -7.011 1.00 72.53 H new ATOM 0 HB2 ARG A 76 5.533 -28.406 -8.993 1.00 33.33 H new ATOM 0 HB3 ARG A 76 7.220 -28.301 -9.457 1.00 33.33 H new ATOM 0 HG2 ARG A 76 7.774 -29.697 -7.400 1.00 44.11 H new ATOM 0 HG3 ARG A 76 6.051 -29.931 -7.177 1.00 44.11 H new ATOM 0 HD2 ARG A 76 6.175 -31.674 -8.597 1.00 4.43 H new ATOM 0 HD3 ARG A 76 6.467 -30.528 -9.890 1.00 4.43 H new ATOM 0 HE ARG A 76 8.691 -31.197 -9.966 1.00 34.23 H new ATOM 0 HH11 ARG A 76 7.233 -32.173 -6.904 1.00 71.14 H new ATOM 0 HH12 ARG A 76 8.640 -33.116 -6.401 1.00 71.14 H new ATOM 0 HH21 ARG A 76 10.494 -32.412 -9.314 1.00 71.31 H new ATOM 0 HH22 ARG A 76 10.479 -33.251 -7.760 1.00 71.31 H new ATOM 1202 N SER A 77 6.039 -25.494 -9.255 1.00 45.12 N ATOM 1203 CA SER A 77 6.198 -24.312 -10.093 1.00 41.14 C ATOM 1204 C SER A 77 6.700 -23.127 -9.271 1.00 15.25 C ATOM 1205 O SER A 77 7.533 -22.345 -9.733 1.00 5.23 O ATOM 1206 CB SER A 77 4.872 -23.955 -10.765 1.00 45.51 C ATOM 1207 OG SER A 77 4.710 -24.662 -11.982 1.00 30.24 O ATOM 0 H SER A 77 5.114 -25.922 -9.302 1.00 45.12 H new ATOM 0 HA SER A 77 6.937 -24.539 -10.862 1.00 41.14 H new ATOM 0 HB2 SER A 77 4.046 -24.188 -10.093 1.00 45.51 H new ATOM 0 HB3 SER A 77 4.835 -22.883 -10.956 1.00 45.51 H new ATOM 0 HG SER A 77 3.854 -24.417 -12.391 1.00 30.24 H new ATOM 1213 N LEU A 78 6.189 -23.003 -8.052 1.00 51.43 N ATOM 1214 CA LEU A 78 6.585 -21.914 -7.165 1.00 1.41 C ATOM 1215 C LEU A 78 8.088 -21.939 -6.909 1.00 70.55 C ATOM 1216 O LEU A 78 8.791 -20.967 -7.184 1.00 15.04 O ATOM 1217 CB LEU A 78 5.827 -22.011 -5.839 1.00 52.55 C ATOM 1218 CG LEU A 78 4.672 -21.025 -5.653 1.00 35.34 C ATOM 1219 CD1 LEU A 78 5.166 -19.592 -5.780 1.00 21.53 C ATOM 1220 CD2 LEU A 78 3.568 -21.303 -6.662 1.00 62.03 C ATOM 0 H LEU A 78 5.500 -23.642 -7.655 1.00 51.43 H new ATOM 0 HA LEU A 78 6.335 -20.971 -7.652 1.00 1.41 H new ATOM 0 HB2 LEU A 78 5.434 -23.023 -5.741 1.00 52.55 H new ATOM 0 HB3 LEU A 78 6.538 -21.865 -5.026 1.00 52.55 H new ATOM 0 HG LEU A 78 4.264 -21.158 -4.651 1.00 35.34 H new ATOM 0 HD11 LEU A 78 4.330 -18.906 -5.645 1.00 21.53 H new ATOM 0 HD12 LEU A 78 5.921 -19.399 -5.018 1.00 21.53 H new ATOM 0 HD13 LEU A 78 5.601 -19.443 -6.768 1.00 21.53 H new ATOM 0 HD21 LEU A 78 2.754 -20.593 -6.516 1.00 62.03 H new ATOM 0 HD22 LEU A 78 3.964 -21.199 -7.672 1.00 62.03 H new ATOM 0 HD23 LEU A 78 3.194 -22.317 -6.522 1.00 62.03 H new ATOM 1232 N TYR A 79 8.574 -23.057 -6.381 1.00 12.24 N ATOM 1233 CA TYR A 79 9.994 -23.209 -6.088 1.00 34.43 C ATOM 1234 C TYR A 79 10.842 -22.880 -7.312 1.00 53.02 C ATOM 1235 O TYR A 79 11.971 -22.407 -7.190 1.00 62.20 O ATOM 1236 CB TYR A 79 10.288 -24.635 -5.618 1.00 75.22 C ATOM 1237 CG TYR A 79 11.482 -24.734 -4.695 1.00 75.40 C ATOM 1238 CD1 TYR A 79 11.468 -24.133 -3.442 1.00 3.25 C ATOM 1239 CD2 TYR A 79 12.625 -25.427 -5.075 1.00 3.11 C ATOM 1240 CE1 TYR A 79 12.555 -24.220 -2.596 1.00 71.23 C ATOM 1241 CE2 TYR A 79 13.717 -25.520 -4.234 1.00 13.15 C ATOM 1242 CZ TYR A 79 13.678 -24.915 -2.995 1.00 5.44 C ATOM 1243 OH TYR A 79 14.764 -25.004 -2.156 1.00 14.21 O ATOM 0 H TYR A 79 8.006 -23.871 -6.147 1.00 12.24 H new ATOM 0 HA TYR A 79 10.252 -22.510 -5.292 1.00 34.43 H new ATOM 0 HB2 TYR A 79 9.410 -25.028 -5.106 1.00 75.22 H new ATOM 0 HB3 TYR A 79 10.459 -25.268 -6.489 1.00 75.22 H new ATOM 0 HD1 TYR A 79 10.591 -23.588 -3.125 1.00 3.25 H new ATOM 0 HD2 TYR A 79 12.660 -25.901 -6.045 1.00 3.11 H new ATOM 0 HE1 TYR A 79 12.527 -23.746 -1.626 1.00 71.23 H new ATOM 0 HE2 TYR A 79 14.597 -26.064 -4.545 1.00 13.15 H new ATOM 0 HH TYR A 79 15.470 -25.529 -2.589 1.00 14.21 H new ATOM 1253 N ASN A 80 10.288 -23.134 -8.493 1.00 41.10 N ATOM 1254 CA ASN A 80 10.992 -22.864 -9.742 1.00 61.11 C ATOM 1255 C ASN A 80 11.132 -21.363 -9.974 1.00 21.11 C ATOM 1256 O ASN A 80 12.243 -20.836 -10.058 1.00 21.43 O ATOM 1257 CB ASN A 80 10.253 -23.507 -10.917 1.00 53.22 C ATOM 1258 CG ASN A 80 10.953 -24.750 -11.431 1.00 72.22 C ATOM 1259 OD1 ASN A 80 11.351 -24.815 -12.594 1.00 21.33 O ATOM 1260 ND2 ASN A 80 11.108 -25.743 -10.563 1.00 11.23 N ATOM 0 H ASN A 80 9.354 -23.526 -8.612 1.00 41.10 H new ATOM 0 HA ASN A 80 11.990 -23.296 -9.669 1.00 61.11 H new ATOM 0 HB2 ASN A 80 9.240 -23.766 -10.608 1.00 53.22 H new ATOM 0 HB3 ASN A 80 10.164 -22.783 -11.727 1.00 53.22 H new ATOM 0 HD21 ASN A 80 11.573 -26.604 -10.851 1.00 11.23 H new ATOM 0 HD22 ASN A 80 10.762 -25.645 -9.609 1.00 11.23 H new ATOM 1267 N THR A 81 9.998 -20.677 -10.076 1.00 41.21 N ATOM 1268 CA THR A 81 9.993 -19.237 -10.299 1.00 54.50 C ATOM 1269 C THR A 81 10.712 -18.503 -9.172 1.00 31.32 C ATOM 1270 O THR A 81 11.609 -17.696 -9.418 1.00 72.54 O ATOM 1271 CB THR A 81 8.558 -18.691 -10.418 1.00 61.13 C ATOM 1272 OG1 THR A 81 7.862 -19.367 -11.470 1.00 20.24 O ATOM 1273 CG2 THR A 81 8.569 -17.194 -10.690 1.00 33.23 C ATOM 0 H THR A 81 9.071 -21.096 -10.008 1.00 41.21 H new ATOM 0 HA THR A 81 10.519 -19.062 -11.237 1.00 54.50 H new ATOM 0 HB THR A 81 8.046 -18.868 -9.472 1.00 61.13 H new ATOM 0 HG1 THR A 81 6.950 -19.015 -11.538 1.00 20.24 H new ATOM 0 HG21 THR A 81 7.544 -16.831 -10.770 1.00 33.23 H new ATOM 0 HG22 THR A 81 9.073 -16.679 -9.872 1.00 33.23 H new ATOM 0 HG23 THR A 81 9.097 -16.998 -11.623 1.00 33.23 H new ATOM 1281 N ILE A 82 10.314 -18.790 -7.937 1.00 33.05 N ATOM 1282 CA ILE A 82 10.922 -18.159 -6.773 1.00 35.32 C ATOM 1283 C ILE A 82 12.441 -18.297 -6.803 1.00 12.40 C ATOM 1284 O ILE A 82 13.166 -17.369 -6.446 1.00 2.43 O ATOM 1285 CB ILE A 82 10.390 -18.765 -5.462 1.00 23.33 C ATOM 1286 CG1 ILE A 82 8.869 -18.614 -5.385 1.00 44.20 C ATOM 1287 CG2 ILE A 82 11.054 -18.104 -4.264 1.00 53.25 C ATOM 1288 CD1 ILE A 82 8.220 -19.536 -4.376 1.00 52.40 C ATOM 0 H ILE A 82 9.573 -19.456 -7.717 1.00 33.05 H new ATOM 0 HA ILE A 82 10.654 -17.103 -6.811 1.00 35.32 H new ATOM 0 HB ILE A 82 10.633 -19.828 -5.446 1.00 23.33 H new ATOM 0 HG12 ILE A 82 8.627 -17.582 -5.130 1.00 44.20 H new ATOM 0 HG13 ILE A 82 8.443 -18.808 -6.369 1.00 44.20 H new ATOM 0 HG21 ILE A 82 10.667 -18.544 -3.345 1.00 53.25 H new ATOM 0 HG22 ILE A 82 12.132 -18.258 -4.314 1.00 53.25 H new ATOM 0 HG23 ILE A 82 10.840 -17.035 -4.273 1.00 53.25 H new ATOM 0 HD11 ILE A 82 7.142 -19.374 -4.376 1.00 52.40 H new ATOM 0 HD12 ILE A 82 8.431 -20.572 -4.641 1.00 52.40 H new ATOM 0 HD13 ILE A 82 8.618 -19.327 -3.383 1.00 52.40 H new ATOM 1300 N ALA A 83 12.916 -19.461 -7.235 1.00 2.13 N ATOM 1301 CA ALA A 83 14.347 -19.719 -7.316 1.00 55.34 C ATOM 1302 C ALA A 83 15.036 -18.710 -8.229 1.00 54.35 C ATOM 1303 O ALA A 83 15.964 -18.013 -7.814 1.00 25.44 O ATOM 1304 CB ALA A 83 14.601 -21.136 -7.808 1.00 71.33 C ATOM 0 H ALA A 83 12.329 -20.240 -7.534 1.00 2.13 H new ATOM 0 HA ALA A 83 14.767 -19.612 -6.316 1.00 55.34 H new ATOM 0 HB1 ALA A 83 15.675 -21.315 -7.864 1.00 71.33 H new ATOM 0 HB2 ALA A 83 14.150 -21.848 -7.116 1.00 71.33 H new ATOM 0 HB3 ALA A 83 14.160 -21.262 -8.797 1.00 71.33 H new ATOM 1310 N VAL A 84 14.579 -18.636 -9.475 1.00 44.12 N ATOM 1311 CA VAL A 84 15.151 -17.710 -10.446 1.00 22.33 C ATOM 1312 C VAL A 84 15.048 -16.269 -9.959 1.00 20.14 C ATOM 1313 O VAL A 84 15.959 -15.467 -10.163 1.00 54.12 O ATOM 1314 CB VAL A 84 14.451 -17.830 -11.814 1.00 61.24 C ATOM 1315 CG1 VAL A 84 15.074 -16.871 -12.817 1.00 31.42 C ATOM 1316 CG2 VAL A 84 14.516 -19.263 -12.321 1.00 51.15 C ATOM 0 H VAL A 84 13.814 -19.206 -9.836 1.00 44.12 H new ATOM 0 HA VAL A 84 16.202 -17.977 -10.558 1.00 22.33 H new ATOM 0 HB VAL A 84 13.402 -17.560 -11.692 1.00 61.24 H new ATOM 0 HG11 VAL A 84 14.568 -16.969 -13.777 1.00 31.42 H new ATOM 0 HG12 VAL A 84 14.970 -15.848 -12.455 1.00 31.42 H new ATOM 0 HG13 VAL A 84 16.131 -17.108 -12.938 1.00 31.42 H new ATOM 0 HG21 VAL A 84 14.017 -19.330 -13.288 1.00 51.15 H new ATOM 0 HG22 VAL A 84 15.558 -19.564 -12.429 1.00 51.15 H new ATOM 0 HG23 VAL A 84 14.019 -19.923 -11.610 1.00 51.15 H new ATOM 1326 N LEU A 85 13.932 -15.947 -9.314 1.00 21.43 N ATOM 1327 CA LEU A 85 13.709 -14.601 -8.796 1.00 32.00 C ATOM 1328 C LEU A 85 14.739 -14.252 -7.726 1.00 23.30 C ATOM 1329 O LEU A 85 15.473 -13.273 -7.853 1.00 71.25 O ATOM 1330 CB LEU A 85 12.297 -14.483 -8.220 1.00 53.54 C ATOM 1331 CG LEU A 85 11.586 -13.151 -8.458 1.00 4.21 C ATOM 1332 CD1 LEU A 85 10.253 -13.375 -9.157 1.00 51.34 C ATOM 1333 CD2 LEU A 85 11.382 -12.412 -7.143 1.00 2.44 C ATOM 0 H LEU A 85 13.168 -16.599 -9.137 1.00 21.43 H new ATOM 0 HA LEU A 85 13.818 -13.897 -9.621 1.00 32.00 H new ATOM 0 HB2 LEU A 85 11.685 -15.280 -8.644 1.00 53.54 H new ATOM 0 HB3 LEU A 85 12.348 -14.658 -7.145 1.00 53.54 H new ATOM 0 HG LEU A 85 12.214 -12.537 -9.104 1.00 4.21 H new ATOM 0 HD11 LEU A 85 9.761 -12.416 -9.318 1.00 51.34 H new ATOM 0 HD12 LEU A 85 10.423 -13.862 -10.117 1.00 51.34 H new ATOM 0 HD13 LEU A 85 9.619 -14.008 -8.537 1.00 51.34 H new ATOM 0 HD21 LEU A 85 10.874 -11.466 -7.332 1.00 2.44 H new ATOM 0 HD22 LEU A 85 10.775 -13.022 -6.473 1.00 2.44 H new ATOM 0 HD23 LEU A 85 12.350 -12.218 -6.681 1.00 2.44 H new ATOM 1345 N TYR A 86 14.787 -15.061 -6.673 1.00 53.02 N ATOM 1346 CA TYR A 86 15.726 -14.838 -5.581 1.00 73.23 C ATOM 1347 C TYR A 86 17.150 -14.686 -6.108 1.00 43.32 C ATOM 1348 O TYR A 86 17.892 -13.802 -5.676 1.00 62.30 O ATOM 1349 CB TYR A 86 15.662 -15.994 -4.581 1.00 52.14 C ATOM 1350 CG TYR A 86 16.726 -15.927 -3.509 1.00 63.32 C ATOM 1351 CD1 TYR A 86 16.523 -15.195 -2.345 1.00 25.44 C ATOM 1352 CD2 TYR A 86 17.934 -16.596 -3.659 1.00 60.23 C ATOM 1353 CE1 TYR A 86 17.492 -15.131 -1.364 1.00 44.15 C ATOM 1354 CE2 TYR A 86 18.910 -16.539 -2.681 1.00 43.32 C ATOM 1355 CZ TYR A 86 18.684 -15.805 -1.536 1.00 44.51 C ATOM 1356 OH TYR A 86 19.652 -15.743 -0.559 1.00 1.24 O ATOM 0 H TYR A 86 14.187 -15.877 -6.553 1.00 53.02 H new ATOM 0 HA TYR A 86 15.444 -13.914 -5.077 1.00 73.23 H new ATOM 0 HB2 TYR A 86 14.680 -15.999 -4.107 1.00 52.14 H new ATOM 0 HB3 TYR A 86 15.761 -16.936 -5.121 1.00 52.14 H new ATOM 0 HD1 TYR A 86 15.591 -14.667 -2.206 1.00 25.44 H new ATOM 0 HD2 TYR A 86 18.114 -17.171 -4.555 1.00 60.23 H new ATOM 0 HE1 TYR A 86 17.318 -14.556 -0.466 1.00 44.15 H new ATOM 0 HE2 TYR A 86 19.843 -17.066 -2.813 1.00 43.32 H new ATOM 0 HH TYR A 86 20.429 -16.273 -0.834 1.00 1.24 H new ATOM 1366 N CYS A 87 17.522 -15.551 -7.045 1.00 63.35 N ATOM 1367 CA CYS A 87 18.857 -15.514 -7.632 1.00 11.10 C ATOM 1368 C CYS A 87 19.149 -14.142 -8.231 1.00 51.21 C ATOM 1369 O CYS A 87 20.238 -13.595 -8.057 1.00 31.13 O ATOM 1370 CB CYS A 87 18.993 -16.593 -8.707 1.00 41.15 C ATOM 1371 SG CYS A 87 19.404 -18.230 -8.060 1.00 12.25 S ATOM 0 H CYS A 87 16.919 -16.286 -7.414 1.00 63.35 H new ATOM 0 HA CYS A 87 19.581 -15.706 -6.841 1.00 11.10 H new ATOM 0 HB2 CYS A 87 18.057 -16.658 -9.262 1.00 41.15 H new ATOM 0 HB3 CYS A 87 19.764 -16.290 -9.416 1.00 41.15 H new ATOM 0 HG CYS A 87 18.315 -18.838 -7.695 1.00 12.25 H new ATOM 1377 N VAL A 88 18.169 -13.590 -8.940 1.00 21.53 N ATOM 1378 CA VAL A 88 18.320 -12.283 -9.566 1.00 54.43 C ATOM 1379 C VAL A 88 18.652 -11.213 -8.532 1.00 22.11 C ATOM 1380 O VAL A 88 19.501 -10.351 -8.763 1.00 23.35 O ATOM 1381 CB VAL A 88 17.043 -11.871 -10.323 1.00 33.23 C ATOM 1382 CG1 VAL A 88 17.223 -10.508 -10.974 1.00 71.35 C ATOM 1383 CG2 VAL A 88 16.677 -12.922 -11.360 1.00 54.43 C ATOM 0 H VAL A 88 17.261 -14.029 -9.095 1.00 21.53 H new ATOM 0 HA VAL A 88 19.143 -12.366 -10.276 1.00 54.43 H new ATOM 0 HB VAL A 88 16.225 -11.799 -9.607 1.00 33.23 H new ATOM 0 HG11 VAL A 88 16.311 -10.234 -11.504 1.00 71.35 H new ATOM 0 HG12 VAL A 88 17.434 -9.763 -10.207 1.00 71.35 H new ATOM 0 HG13 VAL A 88 18.054 -10.548 -11.679 1.00 71.35 H new ATOM 0 HG21 VAL A 88 15.773 -12.615 -11.885 1.00 54.43 H new ATOM 0 HG22 VAL A 88 17.493 -13.028 -12.074 1.00 54.43 H new ATOM 0 HG23 VAL A 88 16.502 -13.877 -10.864 1.00 54.43 H new ATOM 1393 N HIS A 89 17.976 -11.274 -7.389 1.00 50.14 N ATOM 1394 CA HIS A 89 18.199 -10.311 -6.316 1.00 41.21 C ATOM 1395 C HIS A 89 19.534 -10.570 -5.622 1.00 0.31 C ATOM 1396 O HIS A 89 20.017 -9.648 -4.965 1.00 14.14 O ATOM 1397 CB HIS A 89 17.061 -10.377 -5.296 1.00 2.54 C ATOM 1398 CG HIS A 89 15.761 -9.840 -5.814 1.00 55.41 C ATOM 1399 ND1 HIS A 89 15.683 -8.835 -6.755 1.00 54.03 N ATOM 1400 CD2 HIS A 89 14.484 -10.174 -5.517 1.00 35.24 C ATOM 1401 CE1 HIS A 89 14.415 -8.574 -7.013 1.00 15.34 C ATOM 1402 NE2 HIS A 89 13.666 -9.374 -6.276 1.00 71.33 N ATOM 0 H HIS A 89 17.269 -11.980 -7.182 1.00 50.14 H new ATOM 0 HA HIS A 89 18.225 -9.314 -6.757 1.00 41.21 H new ATOM 0 HB2 HIS A 89 16.920 -11.413 -4.988 1.00 2.54 H new ATOM 0 HB3 HIS A 89 17.348 -9.816 -4.407 1.00 2.54 H new ATOM 0 HD2 HIS A 89 14.167 -10.930 -4.814 1.00 35.24 H new ATOM 0 HE1 HIS A 89 14.052 -7.832 -7.709 1.00 15.34 H new ATOM 0 HE2 HIS A 89 12.646 -9.394 -6.271 1.00 71.33 H new ATOM 1411 N GLN A 90 20.119 -11.757 -5.747 1.00 70.45 N ATOM 1412 CA GLN A 90 21.393 -12.050 -5.102 1.00 53.42 C ATOM 1413 C GLN A 90 22.550 -11.881 -6.081 1.00 53.14 C ATOM 1414 O GLN A 90 23.601 -12.504 -5.928 1.00 53.23 O ATOM 1415 CB GLN A 90 21.389 -13.473 -4.540 1.00 53.05 C ATOM 1416 CG GLN A 90 20.630 -13.607 -3.231 1.00 25.23 C ATOM 1417 CD GLN A 90 21.137 -12.659 -2.162 1.00 30.10 C ATOM 1418 OE1 GLN A 90 20.746 -11.493 -2.114 1.00 64.33 O ATOM 1419 NE2 GLN A 90 22.014 -13.157 -1.296 1.00 51.41 N ATOM 0 H GLN A 90 19.732 -12.530 -6.288 1.00 70.45 H new ATOM 0 HA GLN A 90 21.528 -11.344 -4.283 1.00 53.42 H new ATOM 0 HB2 GLN A 90 20.948 -14.144 -5.277 1.00 53.05 H new ATOM 0 HB3 GLN A 90 22.418 -13.798 -4.389 1.00 53.05 H new ATOM 0 HG2 GLN A 90 19.572 -13.416 -3.408 1.00 25.23 H new ATOM 0 HG3 GLN A 90 20.713 -14.632 -2.871 1.00 25.23 H new ATOM 0 HE21 GLN A 90 22.311 -14.130 -1.373 1.00 51.41 H new ATOM 0 HE22 GLN A 90 22.390 -12.566 -0.554 1.00 51.41 H new ATOM 1428 N ARG A 91 22.350 -11.036 -7.087 1.00 44.34 N ATOM 1429 CA ARG A 91 23.376 -10.785 -8.092 1.00 32.45 C ATOM 1430 C ARG A 91 23.813 -12.088 -8.758 1.00 51.04 C ATOM 1431 O ARG A 91 24.936 -12.198 -9.249 1.00 73.21 O ATOM 1432 CB ARG A 91 24.585 -10.094 -7.457 1.00 21.54 C ATOM 1433 CG ARG A 91 25.347 -9.198 -8.418 1.00 14.41 C ATOM 1434 CD ARG A 91 26.204 -8.185 -7.674 1.00 31.31 C ATOM 1435 NE ARG A 91 27.630 -8.418 -7.880 1.00 55.32 N ATOM 1436 CZ ARG A 91 28.573 -7.540 -7.555 1.00 74.44 C ATOM 1437 NH1 ARG A 91 28.242 -6.378 -7.011 1.00 42.34 N1+ ATOM 1438 NH2 ARG A 91 29.851 -7.825 -7.773 1.00 34.22 N ATOM 0 H ARG A 91 21.486 -10.513 -7.228 1.00 44.34 H new ATOM 0 HA ARG A 91 22.952 -10.131 -8.854 1.00 32.45 H new ATOM 0 HB2 ARG A 91 24.248 -9.499 -6.608 1.00 21.54 H new ATOM 0 HB3 ARG A 91 25.263 -10.853 -7.066 1.00 21.54 H new ATOM 0 HG2 ARG A 91 25.980 -9.808 -9.062 1.00 14.41 H new ATOM 0 HG3 ARG A 91 24.643 -8.675 -9.066 1.00 14.41 H new ATOM 0 HD2 ARG A 91 25.949 -7.179 -8.009 1.00 31.31 H new ATOM 0 HD3 ARG A 91 25.979 -8.233 -6.609 1.00 31.31 H new ATOM 0 HE ARG A 91 27.919 -9.303 -8.296 1.00 55.32 H new ATOM 0 HH11 ARG A 91 27.261 -6.156 -6.841 1.00 42.34 H new ATOM 0 HH12 ARG A 91 28.968 -5.706 -6.763 1.00 42.34 H new ATOM 0 HH21 ARG A 91 30.110 -8.719 -8.190 1.00 34.22 H new ATOM 0 HH22 ARG A 91 30.574 -7.150 -7.523 1.00 34.22 H new ATOM 1452 N ILE A 92 22.918 -13.070 -8.769 1.00 53.44 N ATOM 1453 CA ILE A 92 23.212 -14.362 -9.375 1.00 23.31 C ATOM 1454 C ILE A 92 22.709 -14.422 -10.813 1.00 53.24 C ATOM 1455 O ILE A 92 21.529 -14.193 -11.080 1.00 33.42 O ATOM 1456 CB ILE A 92 22.578 -15.516 -8.573 1.00 41.42 C ATOM 1457 CG1 ILE A 92 22.922 -15.383 -7.088 1.00 25.14 C ATOM 1458 CG2 ILE A 92 23.050 -16.858 -9.114 1.00 2.41 C ATOM 1459 CD1 ILE A 92 22.295 -16.455 -6.225 1.00 11.44 C ATOM 0 H ILE A 92 21.984 -12.995 -8.365 1.00 53.44 H new ATOM 0 HA ILE A 92 24.296 -14.476 -9.367 1.00 23.31 H new ATOM 0 HB ILE A 92 21.495 -15.463 -8.682 1.00 41.42 H new ATOM 0 HG12 ILE A 92 24.005 -15.420 -6.969 1.00 25.14 H new ATOM 0 HG13 ILE A 92 22.595 -14.405 -6.734 1.00 25.14 H new ATOM 0 HG21 ILE A 92 22.594 -17.663 -8.538 1.00 2.41 H new ATOM 0 HG22 ILE A 92 22.759 -16.951 -10.160 1.00 2.41 H new ATOM 0 HG23 ILE A 92 24.135 -16.922 -9.032 1.00 2.41 H new ATOM 0 HD11 ILE A 92 22.581 -16.299 -5.185 1.00 11.44 H new ATOM 0 HD12 ILE A 92 21.210 -16.405 -6.314 1.00 11.44 H new ATOM 0 HD13 ILE A 92 22.641 -17.435 -6.553 1.00 11.44 H new ATOM 1471 N ASP A 93 23.613 -14.732 -11.736 1.00 21.14 N ATOM 1472 CA ASP A 93 23.262 -14.825 -13.148 1.00 1.15 C ATOM 1473 C ASP A 93 23.251 -16.278 -13.612 1.00 71.22 C ATOM 1474 O ASP A 93 24.299 -16.918 -13.708 1.00 2.32 O ATOM 1475 CB ASP A 93 24.246 -14.015 -13.995 1.00 5.12 C ATOM 1476 CG ASP A 93 24.007 -12.521 -13.889 1.00 64.34 C ATOM 1477 OD1 ASP A 93 24.426 -11.925 -12.873 1.00 43.20 O ATOM 1478 OD2 ASP A 93 23.404 -11.949 -14.819 1.00 72.12 O1- ATOM 0 H ASP A 93 24.594 -14.923 -11.532 1.00 21.14 H new ATOM 0 HA ASP A 93 22.260 -14.414 -13.275 1.00 1.15 H new ATOM 0 HB2 ASP A 93 25.264 -14.241 -13.679 1.00 5.12 H new ATOM 0 HB3 ASP A 93 24.161 -14.321 -15.038 1.00 5.12 H new ATOM 1483 N VAL A 94 22.060 -16.794 -13.895 1.00 32.14 N ATOM 1484 CA VAL A 94 21.911 -18.173 -14.348 1.00 54.42 C ATOM 1485 C VAL A 94 21.251 -18.233 -15.720 1.00 3.05 C ATOM 1486 O VAL A 94 20.641 -17.262 -16.171 1.00 21.35 O ATOM 1487 CB VAL A 94 21.081 -19.004 -13.353 1.00 61.43 C ATOM 1488 CG1 VAL A 94 21.700 -18.952 -11.965 1.00 45.34 C ATOM 1489 CG2 VAL A 94 19.641 -18.515 -13.322 1.00 51.43 C ATOM 0 H VAL A 94 21.183 -16.278 -13.819 1.00 32.14 H new ATOM 0 HA VAL A 94 22.914 -18.595 -14.413 1.00 54.42 H new ATOM 0 HB VAL A 94 21.082 -20.042 -13.685 1.00 61.43 H new ATOM 0 HG11 VAL A 94 21.099 -19.545 -11.276 1.00 45.34 H new ATOM 0 HG12 VAL A 94 22.712 -19.355 -12.003 1.00 45.34 H new ATOM 0 HG13 VAL A 94 21.733 -17.919 -11.620 1.00 45.34 H new ATOM 0 HG21 VAL A 94 19.069 -19.114 -12.613 1.00 51.43 H new ATOM 0 HG22 VAL A 94 19.618 -17.469 -13.015 1.00 51.43 H new ATOM 0 HG23 VAL A 94 19.203 -18.611 -14.315 1.00 51.43 H new ATOM 1499 N LYS A 95 21.374 -19.379 -16.381 1.00 34.31 N ATOM 1500 CA LYS A 95 20.788 -19.568 -17.703 1.00 64.52 C ATOM 1501 C LYS A 95 19.382 -20.151 -17.595 1.00 63.32 C ATOM 1502 O LYS A 95 18.479 -19.758 -18.334 1.00 73.40 O ATOM 1503 CB LYS A 95 21.669 -20.490 -18.548 1.00 21.42 C ATOM 1504 CG LYS A 95 22.507 -19.754 -19.578 1.00 0.10 C ATOM 1505 CD LYS A 95 23.897 -20.353 -19.698 1.00 55.50 C ATOM 1506 CE LYS A 95 24.731 -19.624 -20.741 1.00 45.51 C ATOM 1507 NZ LYS A 95 24.341 -20.003 -22.127 1.00 53.34 N1+ ATOM 0 H LYS A 95 21.875 -20.192 -16.022 1.00 34.31 H new ATOM 0 HA LYS A 95 20.724 -18.594 -18.187 1.00 64.52 H new ATOM 0 HB2 LYS A 95 22.330 -21.052 -17.888 1.00 21.42 H new ATOM 0 HB3 LYS A 95 21.036 -21.216 -19.058 1.00 21.42 H new ATOM 0 HG2 LYS A 95 22.009 -19.791 -20.547 1.00 0.10 H new ATOM 0 HG3 LYS A 95 22.586 -18.703 -19.300 1.00 0.10 H new ATOM 0 HD2 LYS A 95 24.399 -20.306 -18.732 1.00 55.50 H new ATOM 0 HD3 LYS A 95 23.818 -21.407 -19.965 1.00 55.50 H new ATOM 0 HE2 LYS A 95 24.614 -18.548 -20.612 1.00 45.51 H new ATOM 0 HE3 LYS A 95 25.786 -19.851 -20.586 1.00 45.51 H new ATOM 0 HZ1 LYS A 95 24.932 -19.485 -22.808 1.00 53.34 H new ATOM 0 HZ2 LYS A 95 24.477 -21.026 -22.258 1.00 53.34 H new ATOM 0 HZ3 LYS A 95 23.341 -19.763 -22.284 1.00 53.34 H new ATOM 1521 N ASP A 96 19.203 -21.087 -16.669 1.00 13.41 N ATOM 1522 CA ASP A 96 17.906 -21.721 -16.464 1.00 62.03 C ATOM 1523 C ASP A 96 17.589 -21.839 -14.976 1.00 53.30 C ATOM 1524 O ASP A 96 18.372 -21.412 -14.127 1.00 33.33 O ATOM 1525 CB ASP A 96 17.883 -23.105 -17.114 1.00 25.13 C ATOM 1526 CG ASP A 96 19.121 -23.917 -16.792 1.00 63.40 C ATOM 1527 OD1 ASP A 96 19.400 -24.123 -15.592 1.00 41.10 O ATOM 1528 OD2 ASP A 96 19.810 -24.349 -17.740 1.00 65.10 O1- ATOM 0 H ASP A 96 19.940 -21.423 -16.049 1.00 13.41 H new ATOM 0 HA ASP A 96 17.145 -21.096 -16.931 1.00 62.03 H new ATOM 0 HB2 ASP A 96 16.999 -23.647 -16.777 1.00 25.13 H new ATOM 0 HB3 ASP A 96 17.796 -22.994 -18.195 1.00 25.13 H new ATOM 1533 N THR A 97 16.433 -22.420 -14.667 1.00 54.02 N ATOM 1534 CA THR A 97 16.011 -22.592 -13.282 1.00 21.10 C ATOM 1535 C THR A 97 16.708 -23.786 -12.639 1.00 14.33 C ATOM 1536 O THR A 97 16.960 -23.796 -11.435 1.00 74.25 O ATOM 1537 CB THR A 97 14.486 -22.785 -13.180 1.00 15.10 C ATOM 1538 OG1 THR A 97 13.811 -21.722 -13.862 1.00 51.14 O ATOM 1539 CG2 THR A 97 14.042 -22.824 -11.726 1.00 34.53 C ATOM 0 H THR A 97 15.773 -22.779 -15.357 1.00 54.02 H new ATOM 0 HA THR A 97 16.291 -21.683 -12.750 1.00 21.10 H new ATOM 0 HB THR A 97 14.230 -23.736 -13.647 1.00 15.10 H new ATOM 0 HG1 THR A 97 14.151 -21.654 -14.779 1.00 51.14 H new ATOM 0 HG21 THR A 97 12.962 -22.961 -11.679 1.00 34.53 H new ATOM 0 HG22 THR A 97 14.535 -23.652 -11.217 1.00 34.53 H new ATOM 0 HG23 THR A 97 14.310 -21.887 -11.238 1.00 34.53 H new ATOM 1547 N LYS A 98 17.017 -24.792 -13.451 1.00 64.11 N ATOM 1548 CA LYS A 98 17.686 -25.991 -12.963 1.00 71.13 C ATOM 1549 C LYS A 98 18.998 -25.638 -12.269 1.00 43.31 C ATOM 1550 O LYS A 98 19.344 -26.222 -11.243 1.00 35.34 O ATOM 1551 CB LYS A 98 17.952 -26.958 -14.119 1.00 74.33 C ATOM 1552 CG LYS A 98 17.694 -28.413 -13.766 1.00 13.44 C ATOM 1553 CD LYS A 98 18.854 -29.302 -14.182 1.00 1.23 C ATOM 1554 CE LYS A 98 18.798 -30.652 -13.485 1.00 34.35 C ATOM 1555 NZ LYS A 98 18.500 -31.757 -14.438 1.00 2.13 N1+ ATOM 0 H LYS A 98 16.814 -24.800 -14.451 1.00 64.11 H new ATOM 0 HA LYS A 98 17.030 -26.473 -12.238 1.00 71.13 H new ATOM 0 HB2 LYS A 98 17.323 -26.681 -14.965 1.00 74.33 H new ATOM 0 HB3 LYS A 98 18.987 -26.849 -14.442 1.00 74.33 H new ATOM 0 HG2 LYS A 98 17.531 -28.504 -12.692 1.00 13.44 H new ATOM 0 HG3 LYS A 98 16.781 -28.751 -14.257 1.00 13.44 H new ATOM 0 HD2 LYS A 98 18.833 -29.448 -15.262 1.00 1.23 H new ATOM 0 HD3 LYS A 98 19.796 -28.808 -13.945 1.00 1.23 H new ATOM 0 HE2 LYS A 98 19.750 -30.845 -12.991 1.00 34.35 H new ATOM 0 HE3 LYS A 98 18.035 -30.628 -12.707 1.00 34.35 H new ATOM 0 HZ1 LYS A 98 18.470 -32.660 -13.924 1.00 2.13 H new ATOM 0 HZ2 LYS A 98 17.579 -31.586 -14.891 1.00 2.13 H new ATOM 0 HZ3 LYS A 98 19.242 -31.797 -15.166 1.00 2.13 H new ATOM 1569 N GLU A 99 19.722 -24.677 -12.835 1.00 74.11 N ATOM 1570 CA GLU A 99 20.995 -24.247 -12.269 1.00 62.11 C ATOM 1571 C GLU A 99 20.775 -23.373 -11.037 1.00 71.11 C ATOM 1572 O GLU A 99 21.393 -23.585 -9.995 1.00 71.12 O ATOM 1573 CB GLU A 99 21.809 -23.480 -13.313 1.00 55.52 C ATOM 1574 CG GLU A 99 22.720 -24.366 -14.146 1.00 32.42 C ATOM 1575 CD GLU A 99 24.111 -23.784 -14.309 1.00 41.14 C ATOM 1576 OE1 GLU A 99 24.867 -23.767 -13.315 1.00 22.33 O ATOM 1577 OE2 GLU A 99 24.443 -23.345 -15.430 1.00 71.41 O1- ATOM 0 H GLU A 99 19.449 -24.182 -13.684 1.00 74.11 H new ATOM 0 HA GLU A 99 21.549 -25.136 -11.968 1.00 62.11 H new ATOM 0 HB2 GLU A 99 21.126 -22.950 -13.977 1.00 55.52 H new ATOM 0 HB3 GLU A 99 22.412 -22.725 -12.808 1.00 55.52 H new ATOM 0 HG2 GLU A 99 22.794 -25.347 -13.677 1.00 32.42 H new ATOM 0 HG3 GLU A 99 22.275 -24.515 -15.130 1.00 32.42 H new ATOM 1584 N ALA A 100 19.891 -22.390 -11.167 1.00 64.32 N ATOM 1585 CA ALA A 100 19.587 -21.485 -10.066 1.00 64.44 C ATOM 1586 C ALA A 100 19.147 -22.257 -8.826 1.00 72.33 C ATOM 1587 O ALA A 100 19.309 -21.787 -7.699 1.00 43.43 O ATOM 1588 CB ALA A 100 18.512 -20.491 -10.479 1.00 13.21 C ATOM 0 H ALA A 100 19.372 -22.200 -12.025 1.00 64.32 H new ATOM 0 HA ALA A 100 20.496 -20.937 -9.818 1.00 64.44 H new ATOM 0 HB1 ALA A 100 18.296 -19.822 -9.646 1.00 13.21 H new ATOM 0 HB2 ALA A 100 18.863 -19.908 -11.331 1.00 13.21 H new ATOM 0 HB3 ALA A 100 17.606 -21.029 -10.756 1.00 13.21 H new ATOM 1594 N LEU A 101 18.591 -23.444 -9.041 1.00 24.24 N ATOM 1595 CA LEU A 101 18.126 -24.282 -7.940 1.00 41.23 C ATOM 1596 C LEU A 101 19.291 -25.019 -7.287 1.00 51.22 C ATOM 1597 O LEU A 101 19.389 -25.084 -6.062 1.00 4.12 O ATOM 1598 CB LEU A 101 17.088 -25.287 -8.441 1.00 33.25 C ATOM 1599 CG LEU A 101 15.987 -25.666 -7.451 1.00 64.22 C ATOM 1600 CD1 LEU A 101 16.585 -26.303 -6.205 1.00 11.31 C ATOM 1601 CD2 LEU A 101 15.158 -24.445 -7.081 1.00 15.41 C ATOM 0 H LEU A 101 18.451 -23.848 -9.967 1.00 24.24 H new ATOM 0 HA LEU A 101 17.665 -23.635 -7.193 1.00 41.23 H new ATOM 0 HB2 LEU A 101 16.619 -24.878 -9.336 1.00 33.25 H new ATOM 0 HB3 LEU A 101 17.608 -26.197 -8.741 1.00 33.25 H new ATOM 0 HG LEU A 101 15.332 -26.394 -7.928 1.00 64.22 H new ATOM 0 HD11 LEU A 101 15.786 -26.566 -5.512 1.00 11.31 H new ATOM 0 HD12 LEU A 101 17.134 -27.202 -6.484 1.00 11.31 H new ATOM 0 HD13 LEU A 101 17.264 -25.597 -5.726 1.00 11.31 H new ATOM 0 HD21 LEU A 101 14.379 -24.734 -6.375 1.00 15.41 H new ATOM 0 HD22 LEU A 101 15.801 -23.693 -6.623 1.00 15.41 H new ATOM 0 HD23 LEU A 101 14.699 -24.031 -7.979 1.00 15.41 H new ATOM 1613 N ASP A 102 20.172 -25.570 -8.114 1.00 53.34 N ATOM 1614 CA ASP A 102 21.334 -26.299 -7.618 1.00 23.31 C ATOM 1615 C ASP A 102 22.228 -25.391 -6.779 1.00 33.15 C ATOM 1616 O ASP A 102 22.845 -25.834 -5.810 1.00 45.13 O ATOM 1617 CB ASP A 102 22.131 -26.886 -8.783 1.00 2.05 C ATOM 1618 CG ASP A 102 23.232 -27.821 -8.320 1.00 23.10 C ATOM 1619 OD1 ASP A 102 22.946 -28.706 -7.487 1.00 3.15 O1- ATOM 1620 OD2 ASP A 102 24.379 -27.666 -8.789 1.00 11.32 O ATOM 0 H ASP A 102 20.104 -25.526 -9.131 1.00 53.34 H new ATOM 0 HA ASP A 102 20.978 -27.113 -6.986 1.00 23.31 H new ATOM 0 HB2 ASP A 102 21.455 -27.426 -9.446 1.00 2.05 H new ATOM 0 HB3 ASP A 102 22.568 -26.075 -9.365 1.00 2.05 H new ATOM 1625 N LYS A 103 22.296 -24.121 -7.160 1.00 1.33 N ATOM 1626 CA LYS A 103 23.114 -23.149 -6.444 1.00 1.24 C ATOM 1627 C LYS A 103 22.608 -22.957 -5.018 1.00 73.10 C ATOM 1628 O LYS A 103 23.395 -22.916 -4.072 1.00 43.14 O ATOM 1629 CB LYS A 103 23.112 -21.808 -7.183 1.00 74.44 C ATOM 1630 CG LYS A 103 24.443 -21.471 -7.833 1.00 44.33 C ATOM 1631 CD LYS A 103 25.341 -20.687 -6.892 1.00 45.22 C ATOM 1632 CE LYS A 103 26.349 -19.843 -7.657 1.00 74.23 C ATOM 1633 NZ LYS A 103 26.809 -18.671 -6.862 1.00 53.04 N1+ ATOM 0 H LYS A 103 21.794 -23.740 -7.962 1.00 1.33 H new ATOM 0 HA LYS A 103 24.134 -23.531 -6.400 1.00 1.24 H new ATOM 0 HB2 LYS A 103 22.337 -21.826 -7.949 1.00 74.44 H new ATOM 0 HB3 LYS A 103 22.849 -21.016 -6.482 1.00 74.44 H new ATOM 0 HG2 LYS A 103 24.945 -22.391 -8.134 1.00 44.33 H new ATOM 0 HG3 LYS A 103 24.270 -20.891 -8.739 1.00 44.33 H new ATOM 0 HD2 LYS A 103 24.732 -20.042 -6.259 1.00 45.22 H new ATOM 0 HD3 LYS A 103 25.868 -21.376 -6.232 1.00 45.22 H new ATOM 0 HE2 LYS A 103 27.207 -20.458 -7.927 1.00 74.23 H new ATOM 0 HE3 LYS A 103 25.900 -19.497 -8.588 1.00 74.23 H new ATOM 0 HZ1 LYS A 103 27.495 -18.122 -7.418 1.00 53.04 H new ATOM 0 HZ2 LYS A 103 25.994 -18.070 -6.626 1.00 53.04 H new ATOM 0 HZ3 LYS A 103 27.260 -19.002 -5.985 1.00 53.04 H new ATOM 1647 N ILE A 104 21.293 -22.841 -4.872 1.00 55.40 N ATOM 1648 CA ILE A 104 20.684 -22.656 -3.561 1.00 23.22 C ATOM 1649 C ILE A 104 20.809 -23.917 -2.714 1.00 74.33 C ATOM 1650 O ILE A 104 20.883 -23.848 -1.488 1.00 35.20 O ATOM 1651 CB ILE A 104 19.196 -22.277 -3.680 1.00 10.54 C ATOM 1652 CG1 ILE A 104 19.038 -20.995 -4.499 1.00 43.50 C ATOM 1653 CG2 ILE A 104 18.580 -22.109 -2.299 1.00 70.32 C ATOM 1654 CD1 ILE A 104 17.615 -20.729 -4.938 1.00 41.40 C ATOM 0 H ILE A 104 20.629 -22.872 -5.645 1.00 55.40 H new ATOM 0 HA ILE A 104 21.221 -21.841 -3.076 1.00 23.22 H new ATOM 0 HB ILE A 104 18.671 -23.082 -4.195 1.00 10.54 H new ATOM 0 HG12 ILE A 104 19.391 -20.150 -3.908 1.00 43.50 H new ATOM 0 HG13 ILE A 104 19.676 -21.056 -5.381 1.00 43.50 H new ATOM 0 HG21 ILE A 104 17.528 -21.841 -2.400 1.00 70.32 H new ATOM 0 HG22 ILE A 104 18.665 -23.045 -1.746 1.00 70.32 H new ATOM 0 HG23 ILE A 104 19.105 -21.320 -1.760 1.00 70.32 H new ATOM 0 HD11 ILE A 104 17.579 -19.804 -5.514 1.00 41.40 H new ATOM 0 HD12 ILE A 104 17.264 -21.555 -5.556 1.00 41.40 H new ATOM 0 HD13 ILE A 104 16.975 -20.635 -4.061 1.00 41.40 H new ATOM 1666 N GLU A 105 20.835 -25.069 -3.377 1.00 22.14 N ATOM 1667 CA GLU A 105 20.952 -26.347 -2.684 1.00 31.24 C ATOM 1668 C GLU A 105 22.375 -26.562 -2.178 1.00 65.22 C ATOM 1669 O GLU A 105 22.584 -26.943 -1.026 1.00 64.30 O ATOM 1670 CB GLU A 105 20.551 -27.495 -3.613 1.00 20.44 C ATOM 1671 CG GLU A 105 19.503 -28.422 -3.017 1.00 54.12 C ATOM 1672 CD GLU A 105 20.061 -29.790 -2.678 1.00 10.33 C ATOM 1673 OE1 GLU A 105 21.106 -29.854 -1.998 1.00 20.32 O1- ATOM 1674 OE2 GLU A 105 19.451 -30.798 -3.094 1.00 2.02 O ATOM 0 H GLU A 105 20.777 -25.144 -4.393 1.00 22.14 H new ATOM 0 HA GLU A 105 20.278 -26.330 -1.827 1.00 31.24 H new ATOM 0 HB2 GLU A 105 20.169 -27.080 -4.546 1.00 20.44 H new ATOM 0 HB3 GLU A 105 21.439 -28.076 -3.863 1.00 20.44 H new ATOM 0 HG2 GLU A 105 19.092 -27.968 -2.116 1.00 54.12 H new ATOM 0 HG3 GLU A 105 18.679 -28.534 -3.722 1.00 54.12 H new