USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 749 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 87:sc= -0.397 USER MOD Single : A 17 SER OG : rot 67:sc= 0.0328 USER MOD Single : A 18 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -5.24! K(o=-5.2!,f=-4.5) USER MOD Single : A 41 MET CE :methyl 174:sc= 0 (180deg=-0.0433) USER MOD Single : A 43 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -53:sc= 1.19 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 59 GLN : amide:sc=-0.00152 X(o=-0.0015,f=-0.11) USER MOD Single : A 65 CYS SG : rot 81:sc= 0.0511 USER MOD Single : A 68 GLN : amide:sc= -1.97 X(o=-2,f=-2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 78:sc= 0.0654 USER MOD Single : A 77 SER OG : rot 160:sc= -0.0395 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00548) USER MOD Single : A 82 MET CE :methyl -177:sc= 0 (180deg=-0.00805) USER MOD Single : A 86 THR OG1 : rot -54:sc= 0.0207 USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= -0.425 (180deg=-3.32!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -55:sc= 0.923 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc=-0.00392 USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 109 MET CE :methyl -145:sc= -0.231 (180deg=-0.939) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 72:sc= 0.692 USER MOD Single : A 112 GLN : amide:sc=-0.00869 X(o=-0.0087,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 -1.299 10.960 -8.822 1.00 64.42 N ATOM 93 CA ARG A 7 -0.591 10.354 -9.943 1.00 64.24 C ATOM 94 C ARG A 7 0.095 9.059 -9.518 1.00 22.13 C ATOM 95 O ARG A 7 -0.133 8.002 -10.106 1.00 21.42 O ATOM 96 CB ARG A 7 0.444 11.329 -10.508 1.00 53.41 C ATOM 97 CG ARG A 7 0.346 11.517 -12.013 1.00 60.33 C ATOM 98 CD ARG A 7 0.531 12.974 -12.406 1.00 64.05 C ATOM 99 NE ARG A 7 1.934 13.302 -12.648 1.00 30.41 N ATOM 100 CZ ARG A 7 2.400 14.544 -12.699 1.00 40.45 C ATOM 101 NH1 ARG A 7 1.579 15.571 -12.527 1.00 44.40 N ATOM 102 NH2 ARG A 7 3.690 14.762 -12.924 1.00 33.15 N ATOM 0 HA ARG A 7 -1.322 10.121 -10.717 1.00 64.24 H new ATOM 0 HB2 ARG A 7 0.323 12.297 -10.021 1.00 53.41 H new ATOM 0 HB3 ARG A 7 1.443 10.970 -10.260 1.00 53.41 H new ATOM 0 HG2 ARG A 7 1.102 10.907 -12.507 1.00 60.33 H new ATOM 0 HG3 ARG A 7 -0.625 11.165 -12.362 1.00 60.33 H new ATOM 0 HD2 ARG A 7 -0.050 13.184 -13.304 1.00 64.05 H new ATOM 0 HD3 ARG A 7 0.140 13.615 -11.616 1.00 64.05 H new ATOM 0 HE ARG A 7 2.592 12.534 -12.785 1.00 30.41 H new ATOM 0 HH11 ARG A 7 0.587 15.408 -12.355 1.00 44.40 H new ATOM 0 HH12 ARG A 7 1.940 16.524 -12.567 1.00 44.40 H new ATOM 0 HH21 ARG A 7 4.324 13.975 -13.058 1.00 33.15 H new ATOM 0 HH22 ARG A 7 4.047 15.717 -12.963 1.00 33.15 H new ATOM 116 N ASP A 8 0.936 9.150 -8.493 1.00 72.01 N ATOM 117 CA ASP A 8 1.655 7.986 -7.988 1.00 54.00 C ATOM 118 C ASP A 8 0.685 6.869 -7.614 1.00 24.01 C ATOM 119 O ASP A 8 1.045 5.692 -7.628 1.00 72.30 O ATOM 120 CB ASP A 8 2.502 8.371 -6.774 1.00 61.53 C ATOM 121 CG ASP A 8 3.604 9.351 -7.125 1.00 10.02 C ATOM 122 OD1 ASP A 8 3.282 10.511 -7.457 1.00 70.32 O ATOM 123 OD2 ASP A 8 4.788 8.958 -7.067 1.00 44.55 O ATOM 0 H ASP A 8 1.136 10.018 -7.996 1.00 72.01 H new ATOM 0 HA ASP A 8 2.312 7.623 -8.779 1.00 54.00 H new ATOM 0 HB2 ASP A 8 1.859 8.809 -6.010 1.00 61.53 H new ATOM 0 HB3 ASP A 8 2.943 7.472 -6.342 1.00 61.53 H new ATOM 128 N TRP A 9 -0.543 7.246 -7.279 1.00 51.41 N ATOM 129 CA TRP A 9 -1.564 6.276 -6.900 1.00 1.11 C ATOM 130 C TRP A 9 -2.149 5.593 -8.131 1.00 33.33 C ATOM 131 O TRP A 9 -1.943 4.399 -8.348 1.00 25.42 O ATOM 132 CB TRP A 9 -2.676 6.960 -6.104 1.00 13.24 C ATOM 133 CG TRP A 9 -3.847 6.065 -5.829 1.00 4.24 C ATOM 134 CD1 TRP A 9 -4.969 5.925 -6.594 1.00 62.02 C ATOM 135 CD2 TRP A 9 -4.010 5.188 -4.709 1.00 14.33 C ATOM 136 NE1 TRP A 9 -5.820 5.014 -6.018 1.00 34.33 N ATOM 137 CE2 TRP A 9 -5.255 4.547 -4.861 1.00 32.34 C ATOM 138 CE3 TRP A 9 -3.226 4.881 -3.594 1.00 10.12 C ATOM 139 CZ2 TRP A 9 -5.731 3.619 -3.938 1.00 73.33 C ATOM 140 CZ3 TRP A 9 -3.700 3.960 -2.679 1.00 52.12 C ATOM 141 CH2 TRP A 9 -4.943 3.337 -2.856 1.00 43.01 C ATOM 0 H TRP A 9 -0.856 8.217 -7.262 1.00 51.41 H new ATOM 0 HA TRP A 9 -1.094 5.517 -6.275 1.00 1.11 H new ATOM 0 HB2 TRP A 9 -2.269 7.315 -5.157 1.00 13.24 H new ATOM 0 HB3 TRP A 9 -3.019 7.837 -6.653 1.00 13.24 H new ATOM 0 HD1 TRP A 9 -5.159 6.453 -7.517 1.00 62.02 H new ATOM 0 HE1 TRP A 9 -6.726 4.731 -6.391 1.00 34.33 H new ATOM 0 HE3 TRP A 9 -2.266 5.355 -3.450 1.00 10.12 H new ATOM 0 HZ2 TRP A 9 -6.689 3.139 -4.072 1.00 73.33 H new ATOM 0 HZ3 TRP A 9 -3.103 3.716 -1.813 1.00 52.12 H new ATOM 0 HH2 TRP A 9 -5.285 2.620 -2.124 1.00 43.01 H new ATOM 152 N LYS A 10 -2.881 6.357 -8.935 1.00 20.14 N ATOM 153 CA LYS A 10 -3.496 5.826 -10.145 1.00 63.24 C ATOM 154 C LYS A 10 -2.465 5.102 -11.006 1.00 52.13 C ATOM 155 O LYS A 10 -2.788 4.135 -11.695 1.00 61.31 O ATOM 156 CB LYS A 10 -4.145 6.954 -10.949 1.00 55.33 C ATOM 157 CG LYS A 10 -5.604 6.699 -11.287 1.00 32.23 C ATOM 158 CD LYS A 10 -6.375 7.998 -11.448 1.00 50.25 C ATOM 159 CE LYS A 10 -7.130 8.360 -10.179 1.00 10.23 C ATOM 160 NZ LYS A 10 -8.465 7.703 -10.121 1.00 11.02 N ATOM 0 H LYS A 10 -3.063 7.347 -8.770 1.00 20.14 H new ATOM 0 HA LYS A 10 -4.264 5.111 -9.849 1.00 63.24 H new ATOM 0 HB2 LYS A 10 -4.069 7.882 -10.383 1.00 55.33 H new ATOM 0 HB3 LYS A 10 -3.586 7.098 -11.874 1.00 55.33 H new ATOM 0 HG2 LYS A 10 -5.669 6.120 -12.208 1.00 32.23 H new ATOM 0 HG3 LYS A 10 -6.061 6.099 -10.500 1.00 32.23 H new ATOM 0 HD2 LYS A 10 -5.685 8.802 -11.704 1.00 50.25 H new ATOM 0 HD3 LYS A 10 -7.077 7.905 -12.276 1.00 50.25 H new ATOM 0 HE2 LYS A 10 -6.542 8.065 -9.310 1.00 10.23 H new ATOM 0 HE3 LYS A 10 -7.255 9.442 -10.127 1.00 10.23 H new ATOM 0 HZ1 LYS A 10 -8.948 7.975 -9.241 1.00 11.02 H new ATOM 0 HZ2 LYS A 10 -9.036 8.004 -10.937 1.00 11.02 H new ATOM 0 HZ3 LYS A 10 -8.345 6.670 -10.145 1.00 11.02 H new ATOM 174 N MET A 11 -1.225 5.577 -10.961 1.00 23.32 N ATOM 175 CA MET A 11 -0.147 4.972 -11.735 1.00 42.21 C ATOM 176 C MET A 11 0.254 3.623 -11.147 1.00 44.13 C ATOM 177 O MET A 11 0.275 2.612 -11.848 1.00 62.21 O ATOM 178 CB MET A 11 1.065 5.905 -11.776 1.00 64.40 C ATOM 179 CG MET A 11 0.884 7.097 -12.702 1.00 24.51 C ATOM 180 SD MET A 11 1.520 6.790 -14.361 1.00 73.12 S ATOM 181 CE MET A 11 0.351 7.721 -15.349 1.00 2.43 C ATOM 0 H MET A 11 -0.942 6.378 -10.397 1.00 23.32 H new ATOM 0 HA MET A 11 -0.508 4.812 -12.751 1.00 42.21 H new ATOM 0 HB2 MET A 11 1.269 6.266 -10.768 1.00 64.40 H new ATOM 0 HB3 MET A 11 1.939 5.337 -12.095 1.00 64.40 H new ATOM 0 HG2 MET A 11 -0.175 7.347 -12.764 1.00 24.51 H new ATOM 0 HG3 MET A 11 1.392 7.963 -12.277 1.00 24.51 H new ATOM 0 HE1 MET A 11 0.612 7.629 -16.403 1.00 2.43 H new ATOM 0 HE2 MET A 11 -0.654 7.330 -15.188 1.00 2.43 H new ATOM 0 HE3 MET A 11 0.383 8.771 -15.057 1.00 2.43 H new ATOM 191 N ALA A 12 0.573 3.616 -9.857 1.00 34.21 N ATOM 192 CA ALA A 12 0.971 2.391 -9.175 1.00 64.33 C ATOM 193 C ALA A 12 -0.044 1.277 -9.409 1.00 64.14 C ATOM 194 O ALA A 12 0.319 0.104 -9.502 1.00 72.22 O ATOM 195 CB ALA A 12 1.142 2.647 -7.685 1.00 41.34 C ATOM 0 H ALA A 12 0.564 4.445 -9.263 1.00 34.21 H new ATOM 0 HA ALA A 12 1.927 2.069 -9.589 1.00 64.33 H new ATOM 0 HB1 ALA A 12 1.439 1.723 -7.189 1.00 41.34 H new ATOM 0 HB2 ALA A 12 1.910 3.405 -7.532 1.00 41.34 H new ATOM 0 HB3 ALA A 12 0.199 2.997 -7.265 1.00 41.34 H new ATOM 201 N ILE A 13 -1.315 1.652 -9.503 1.00 61.42 N ATOM 202 CA ILE A 13 -2.382 0.684 -9.727 1.00 25.43 C ATOM 203 C ILE A 13 -2.347 0.148 -11.154 1.00 33.30 C ATOM 204 O ILE A 13 -2.381 -1.063 -11.376 1.00 5.04 O ATOM 205 CB ILE A 13 -3.767 1.299 -9.455 1.00 3.33 C ATOM 206 CG1 ILE A 13 -3.860 1.779 -8.005 1.00 21.13 C ATOM 207 CG2 ILE A 13 -4.864 0.289 -9.756 1.00 2.22 C ATOM 208 CD1 ILE A 13 -3.792 0.657 -6.992 1.00 0.42 C ATOM 0 H ILE A 13 -1.631 2.619 -9.428 1.00 61.42 H new ATOM 0 HA ILE A 13 -2.215 -0.136 -9.029 1.00 25.43 H new ATOM 0 HB ILE A 13 -3.902 2.158 -10.112 1.00 3.33 H new ATOM 0 HG12 ILE A 13 -3.050 2.483 -7.811 1.00 21.13 H new ATOM 0 HG13 ILE A 13 -4.795 2.323 -7.870 1.00 21.13 H new ATOM 0 HG21 ILE A 13 -5.837 0.739 -9.559 1.00 2.22 H new ATOM 0 HG22 ILE A 13 -4.807 -0.008 -10.803 1.00 2.22 H new ATOM 0 HG23 ILE A 13 -4.735 -0.588 -9.122 1.00 2.22 H new ATOM 0 HD11 ILE A 13 -3.864 1.070 -5.986 1.00 0.42 H new ATOM 0 HD12 ILE A 13 -4.617 -0.035 -7.160 1.00 0.42 H new ATOM 0 HD13 ILE A 13 -2.846 0.126 -7.100 1.00 0.42 H new ATOM 220 N LYS A 14 -2.279 1.057 -12.120 1.00 42.31 N ATOM 221 CA LYS A 14 -2.236 0.678 -13.527 1.00 75.23 C ATOM 222 C LYS A 14 -1.140 -0.352 -13.780 1.00 41.24 C ATOM 223 O LYS A 14 -1.286 -1.232 -14.629 1.00 21.03 O ATOM 224 CB LYS A 14 -2.004 1.911 -14.403 1.00 14.44 C ATOM 225 CG LYS A 14 -1.859 1.590 -15.880 1.00 41.30 C ATOM 226 CD LYS A 14 -0.522 2.063 -16.425 1.00 5.45 C ATOM 227 CE LYS A 14 -0.378 1.745 -17.905 1.00 14.30 C ATOM 228 NZ LYS A 14 0.344 2.822 -18.636 1.00 43.44 N ATOM 0 H LYS A 14 -2.252 2.063 -11.954 1.00 42.31 H new ATOM 0 HA LYS A 14 -3.196 0.232 -13.786 1.00 75.23 H new ATOM 0 HB2 LYS A 14 -2.836 2.602 -14.270 1.00 14.44 H new ATOM 0 HB3 LYS A 14 -1.105 2.425 -14.062 1.00 14.44 H new ATOM 0 HG2 LYS A 14 -1.954 0.515 -16.031 1.00 41.30 H new ATOM 0 HG3 LYS A 14 -2.668 2.063 -16.437 1.00 41.30 H new ATOM 0 HD2 LYS A 14 -0.426 3.138 -16.272 1.00 5.45 H new ATOM 0 HD3 LYS A 14 0.287 1.588 -15.870 1.00 5.45 H new ATOM 0 HE2 LYS A 14 0.158 0.803 -18.024 1.00 14.30 H new ATOM 0 HE3 LYS A 14 -1.366 1.607 -18.345 1.00 14.30 H new ATOM 0 HZ1 LYS A 14 0.421 2.567 -19.641 1.00 43.44 H new ATOM 0 HZ2 LYS A 14 -0.180 3.715 -18.544 1.00 43.44 H new ATOM 0 HZ3 LYS A 14 1.296 2.937 -18.234 1.00 43.44 H new ATOM 242 N ARG A 15 -0.043 -0.236 -13.039 1.00 33.24 N ATOM 243 CA ARG A 15 1.077 -1.157 -13.183 1.00 64.40 C ATOM 244 C ARG A 15 0.911 -2.365 -12.265 1.00 13.43 C ATOM 245 O ARG A 15 1.304 -3.479 -12.611 1.00 21.33 O ATOM 246 CB ARG A 15 2.395 -0.444 -12.872 1.00 34.52 C ATOM 247 CG ARG A 15 3.627 -1.266 -13.212 1.00 22.44 C ATOM 248 CD ARG A 15 4.671 -0.432 -13.936 1.00 41.55 C ATOM 249 NE ARG A 15 5.452 -1.229 -14.878 1.00 50.25 N ATOM 250 CZ ARG A 15 6.178 -0.705 -15.860 1.00 1.34 C ATOM 251 NH1 ARG A 15 6.223 0.610 -16.026 1.00 60.10 N ATOM 252 NH2 ARG A 15 6.862 -1.496 -16.676 1.00 73.04 N ATOM 0 H ARG A 15 0.094 0.487 -12.333 1.00 33.24 H new ATOM 0 HA ARG A 15 1.095 -1.507 -14.215 1.00 64.40 H new ATOM 0 HB2 ARG A 15 2.430 0.494 -13.426 1.00 34.52 H new ATOM 0 HB3 ARG A 15 2.419 -0.190 -11.812 1.00 34.52 H new ATOM 0 HG2 ARG A 15 4.057 -1.675 -12.297 1.00 22.44 H new ATOM 0 HG3 ARG A 15 3.340 -2.113 -13.835 1.00 22.44 H new ATOM 0 HD2 ARG A 15 4.179 0.381 -14.470 1.00 41.55 H new ATOM 0 HD3 ARG A 15 5.340 0.025 -13.206 1.00 41.55 H new ATOM 0 HE ARG A 15 5.440 -2.244 -14.777 1.00 50.25 H new ATOM 0 HH11 ARG A 15 5.700 1.221 -15.399 1.00 60.10 H new ATOM 0 HH12 ARG A 15 6.781 1.010 -16.780 1.00 60.10 H new ATOM 0 HH21 ARG A 15 6.831 -2.508 -16.550 1.00 73.04 H new ATOM 0 HH22 ARG A 15 7.419 -1.093 -17.429 1.00 73.04 H new ATOM 266 N CYS A 16 0.326 -2.135 -11.094 1.00 44.42 N ATOM 267 CA CYS A 16 0.109 -3.203 -10.125 1.00 52.12 C ATOM 268 C CYS A 16 -0.812 -4.276 -10.697 1.00 13.14 C ATOM 269 O CYS A 16 -0.615 -5.468 -10.460 1.00 41.33 O ATOM 270 CB CYS A 16 -0.487 -2.636 -8.836 1.00 22.44 C ATOM 271 SG CYS A 16 0.737 -2.269 -7.556 1.00 41.24 S ATOM 0 H CYS A 16 -0.006 -1.219 -10.793 1.00 44.42 H new ATOM 0 HA CYS A 16 1.073 -3.659 -9.901 1.00 52.12 H new ATOM 0 HB2 CYS A 16 -1.035 -1.724 -9.072 1.00 22.44 H new ATOM 0 HB3 CYS A 16 -1.210 -3.348 -8.439 1.00 22.44 H new ATOM 0 HG CYS A 16 1.195 -1.064 -7.726 1.00 41.24 H new ATOM 277 N SER A 17 -1.820 -3.844 -11.448 1.00 61.54 N ATOM 278 CA SER A 17 -2.775 -4.768 -12.049 1.00 54.22 C ATOM 279 C SER A 17 -2.060 -5.814 -12.899 1.00 5.34 C ATOM 280 O SER A 17 -2.569 -6.914 -13.108 1.00 10.24 O ATOM 281 CB SER A 17 -3.786 -4.003 -12.906 1.00 60.23 C ATOM 282 OG SER A 17 -4.527 -3.084 -12.123 1.00 33.34 O ATOM 0 H SER A 17 -1.996 -2.861 -11.655 1.00 61.54 H new ATOM 0 HA SER A 17 -3.303 -5.279 -11.244 1.00 54.22 H new ATOM 0 HB2 SER A 17 -3.264 -3.470 -13.701 1.00 60.23 H new ATOM 0 HB3 SER A 17 -4.466 -4.706 -13.387 1.00 60.23 H new ATOM 0 HG SER A 17 -3.932 -2.376 -11.799 1.00 33.34 H new ATOM 288 N ASN A 18 -0.874 -5.461 -13.386 1.00 32.04 N ATOM 289 CA ASN A 18 -0.087 -6.368 -14.213 1.00 73.20 C ATOM 290 C ASN A 18 0.131 -7.701 -13.503 1.00 41.11 C ATOM 291 O ASN A 18 0.309 -8.736 -14.145 1.00 22.55 O ATOM 292 CB ASN A 18 1.262 -5.735 -14.559 1.00 71.14 C ATOM 293 CG ASN A 18 2.055 -6.568 -15.548 1.00 74.02 C ATOM 294 OD1 ASN A 18 1.498 -7.406 -16.258 1.00 53.41 O ATOM 295 ND2 ASN A 18 3.362 -6.341 -15.598 1.00 60.04 N ATOM 0 H ASN A 18 -0.438 -4.554 -13.222 1.00 32.04 H new ATOM 0 HA ASN A 18 -0.641 -6.553 -15.133 1.00 73.20 H new ATOM 0 HB2 ASN A 18 1.098 -4.741 -14.975 1.00 71.14 H new ATOM 0 HB3 ASN A 18 1.845 -5.607 -13.647 1.00 71.14 H new ATOM 0 HD21 ASN A 18 3.947 -6.871 -16.244 1.00 60.04 H new ATOM 0 HD22 ASN A 18 3.781 -5.637 -14.991 1.00 60.04 H new ATOM 302 N VAL A 19 0.115 -7.667 -12.174 1.00 43.04 N ATOM 303 CA VAL A 19 0.310 -8.872 -11.376 1.00 54.35 C ATOM 304 C VAL A 19 -0.778 -9.901 -11.662 1.00 64.53 C ATOM 305 O VAL A 19 -1.924 -9.549 -11.939 1.00 45.43 O ATOM 306 CB VAL A 19 0.315 -8.552 -9.870 1.00 24.12 C ATOM 307 CG1 VAL A 19 1.347 -7.479 -9.555 1.00 71.42 C ATOM 308 CG2 VAL A 19 -1.070 -8.122 -9.411 1.00 61.24 C ATOM 0 H VAL A 19 -0.031 -6.818 -11.627 1.00 43.04 H new ATOM 0 HA VAL A 19 1.279 -9.285 -11.656 1.00 54.35 H new ATOM 0 HB VAL A 19 0.588 -9.456 -9.326 1.00 24.12 H new ATOM 0 HG11 VAL A 19 1.336 -7.266 -8.486 1.00 71.42 H new ATOM 0 HG12 VAL A 19 2.337 -7.830 -9.845 1.00 71.42 H new ATOM 0 HG13 VAL A 19 1.108 -6.571 -10.108 1.00 71.42 H new ATOM 0 HG21 VAL A 19 -1.047 -7.900 -8.344 1.00 61.24 H new ATOM 0 HG22 VAL A 19 -1.375 -7.232 -9.960 1.00 61.24 H new ATOM 0 HG23 VAL A 19 -1.782 -8.926 -9.599 1.00 61.24 H new ATOM 318 N ALA A 20 -0.410 -11.177 -11.593 1.00 11.34 N ATOM 319 CA ALA A 20 -1.355 -12.259 -11.841 1.00 43.42 C ATOM 320 C ALA A 20 -1.808 -12.902 -10.535 1.00 72.54 C ATOM 321 O ALA A 20 -1.070 -12.918 -9.550 1.00 15.40 O ATOM 322 CB ALA A 20 -0.733 -13.302 -12.758 1.00 51.42 C ATOM 0 H ALA A 20 0.536 -11.486 -11.367 1.00 11.34 H new ATOM 0 HA ALA A 20 -2.233 -11.837 -12.331 1.00 43.42 H new ATOM 0 HB1 ALA A 20 -1.449 -14.104 -12.935 1.00 51.42 H new ATOM 0 HB2 ALA A 20 -0.465 -12.838 -13.708 1.00 51.42 H new ATOM 0 HB3 ALA A 20 0.162 -13.711 -12.289 1.00 51.42 H new ATOM 328 N VAL A 21 -3.027 -13.433 -10.535 1.00 20.14 N ATOM 329 CA VAL A 21 -3.579 -14.079 -9.350 1.00 2.14 C ATOM 330 C VAL A 21 -2.890 -15.412 -9.079 1.00 0.30 C ATOM 331 O VAL A 21 -2.853 -15.884 -7.944 1.00 5.14 O ATOM 332 CB VAL A 21 -5.094 -14.316 -9.494 1.00 22.40 C ATOM 333 CG1 VAL A 21 -5.814 -13.009 -9.785 1.00 12.32 C ATOM 334 CG2 VAL A 21 -5.370 -15.341 -10.584 1.00 15.02 C ATOM 0 H VAL A 21 -3.651 -13.428 -11.342 1.00 20.14 H new ATOM 0 HA VAL A 21 -3.403 -13.405 -8.511 1.00 2.14 H new ATOM 0 HB VAL A 21 -5.474 -14.709 -8.551 1.00 22.40 H new ATOM 0 HG11 VAL A 21 -6.883 -13.197 -9.883 1.00 12.32 H new ATOM 0 HG12 VAL A 21 -5.642 -12.309 -8.967 1.00 12.32 H new ATOM 0 HG13 VAL A 21 -5.433 -12.583 -10.713 1.00 12.32 H new ATOM 0 HG21 VAL A 21 -6.445 -15.497 -10.673 1.00 15.02 H new ATOM 0 HG22 VAL A 21 -4.976 -14.978 -11.533 1.00 15.02 H new ATOM 0 HG23 VAL A 21 -4.887 -16.284 -10.328 1.00 15.02 H new ATOM 344 N GLY A 22 -2.345 -16.014 -10.131 1.00 64.43 N ATOM 345 CA GLY A 22 -1.663 -17.288 -9.986 1.00 55.45 C ATOM 346 C GLY A 22 -0.371 -17.347 -10.776 1.00 41.20 C ATOM 347 O GLY A 22 -0.091 -16.467 -11.590 1.00 52.31 O ATOM 0 H GLY A 22 -2.363 -15.643 -11.081 1.00 64.43 H new ATOM 0 HA2 GLY A 22 -1.449 -17.464 -8.932 1.00 55.45 H new ATOM 0 HA3 GLY A 22 -2.324 -18.090 -10.315 1.00 55.45 H new ATOM 351 N VAL A 23 0.421 -18.387 -10.535 1.00 2.35 N ATOM 352 CA VAL A 23 1.692 -18.557 -11.229 1.00 20.13 C ATOM 353 C VAL A 23 1.475 -18.987 -12.675 1.00 73.01 C ATOM 354 O VAL A 23 2.261 -18.650 -13.559 1.00 3.41 O ATOM 355 CB VAL A 23 2.582 -19.598 -10.523 1.00 74.14 C ATOM 356 CG1 VAL A 23 3.938 -19.691 -11.205 1.00 61.23 C ATOM 357 CG2 VAL A 23 2.739 -19.253 -9.050 1.00 71.11 C ATOM 0 H VAL A 23 0.205 -19.124 -9.864 1.00 2.35 H new ATOM 0 HA VAL A 23 2.194 -17.590 -11.212 1.00 20.13 H new ATOM 0 HB VAL A 23 2.099 -20.572 -10.595 1.00 74.14 H new ATOM 0 HG11 VAL A 23 4.553 -20.431 -10.693 1.00 61.23 H new ATOM 0 HG12 VAL A 23 3.803 -19.989 -12.245 1.00 61.23 H new ATOM 0 HG13 VAL A 23 4.432 -18.720 -11.167 1.00 61.23 H new ATOM 0 HG21 VAL A 23 3.370 -19.999 -8.567 1.00 71.11 H new ATOM 0 HG22 VAL A 23 3.200 -18.270 -8.954 1.00 71.11 H new ATOM 0 HG23 VAL A 23 1.759 -19.243 -8.572 1.00 71.11 H new ATOM 436 N LYS A 29 -5.861 -12.018 -13.485 1.00 73.43 N ATOM 437 CA LYS A 29 -4.952 -11.107 -12.800 1.00 53.15 C ATOM 438 C LYS A 29 -5.700 -10.264 -11.772 1.00 64.01 C ATOM 439 O LYS A 29 -6.922 -10.351 -11.654 1.00 11.50 O ATOM 440 CB LYS A 29 -4.253 -10.195 -13.812 1.00 34.42 C ATOM 441 CG LYS A 29 -5.192 -9.609 -14.852 1.00 62.13 C ATOM 442 CD LYS A 29 -4.487 -8.582 -15.723 1.00 73.42 C ATOM 443 CE LYS A 29 -5.360 -8.150 -16.892 1.00 24.13 C ATOM 444 NZ LYS A 29 -5.158 -6.715 -17.234 1.00 4.14 N ATOM 0 HA LYS A 29 -4.203 -11.703 -12.279 1.00 53.15 H new ATOM 0 HB2 LYS A 29 -3.763 -9.381 -13.277 1.00 34.42 H new ATOM 0 HB3 LYS A 29 -3.471 -10.760 -14.318 1.00 34.42 H new ATOM 0 HG2 LYS A 29 -5.588 -10.409 -15.478 1.00 62.13 H new ATOM 0 HG3 LYS A 29 -6.043 -9.143 -14.354 1.00 62.13 H new ATOM 0 HD2 LYS A 29 -4.225 -7.711 -15.122 1.00 73.42 H new ATOM 0 HD3 LYS A 29 -3.554 -9.001 -16.100 1.00 73.42 H new ATOM 0 HE2 LYS A 29 -5.133 -8.766 -17.762 1.00 24.13 H new ATOM 0 HE3 LYS A 29 -6.408 -8.321 -16.645 1.00 24.13 H new ATOM 0 HZ1 LYS A 29 -5.770 -6.459 -18.035 1.00 4.14 H new ATOM 0 HZ2 LYS A 29 -5.399 -6.125 -16.412 1.00 4.14 H new ATOM 0 HZ3 LYS A 29 -4.164 -6.557 -17.494 1.00 4.14 H new ATOM 458 N PHE A 30 -4.958 -9.448 -11.031 1.00 4.02 N ATOM 459 CA PHE A 30 -5.550 -8.589 -10.013 1.00 14.24 C ATOM 460 C PHE A 30 -5.771 -7.178 -10.552 1.00 24.50 C ATOM 461 O PHE A 30 -5.503 -6.900 -11.720 1.00 51.10 O ATOM 462 CB PHE A 30 -4.655 -8.539 -8.773 1.00 12.22 C ATOM 463 CG PHE A 30 -4.769 -9.757 -7.902 1.00 12.15 C ATOM 464 CD1 PHE A 30 -6.010 -10.219 -7.493 1.00 60.01 C ATOM 465 CD2 PHE A 30 -3.636 -10.440 -7.491 1.00 62.25 C ATOM 466 CE1 PHE A 30 -6.117 -11.339 -6.691 1.00 35.23 C ATOM 467 CE2 PHE A 30 -3.737 -11.561 -6.689 1.00 71.44 C ATOM 468 CZ PHE A 30 -4.980 -12.012 -6.289 1.00 42.04 C ATOM 0 H PHE A 30 -3.945 -9.364 -11.117 1.00 4.02 H new ATOM 0 HA PHE A 30 -6.517 -9.009 -9.737 1.00 14.24 H new ATOM 0 HB2 PHE A 30 -3.618 -8.423 -9.088 1.00 12.22 H new ATOM 0 HB3 PHE A 30 -4.910 -7.657 -8.186 1.00 12.22 H new ATOM 0 HD1 PHE A 30 -6.903 -9.698 -7.805 1.00 60.01 H new ATOM 0 HD2 PHE A 30 -2.662 -10.092 -7.801 1.00 62.25 H new ATOM 0 HE1 PHE A 30 -7.090 -11.688 -6.378 1.00 35.23 H new ATOM 0 HE2 PHE A 30 -2.845 -12.084 -6.375 1.00 71.44 H new ATOM 0 HZ PHE A 30 -5.062 -12.889 -5.664 1.00 42.04 H new ATOM 478 N GLY A 31 -6.261 -6.292 -9.691 1.00 53.21 N ATOM 479 CA GLY A 31 -6.510 -4.921 -10.099 1.00 33.43 C ATOM 480 C GLY A 31 -6.938 -4.041 -8.941 1.00 54.04 C ATOM 481 O GLY A 31 -6.947 -4.478 -7.791 1.00 71.43 O ATOM 0 H GLY A 31 -6.490 -6.498 -8.719 1.00 53.21 H new ATOM 0 HA2 GLY A 31 -5.607 -4.509 -10.550 1.00 33.43 H new ATOM 0 HA3 GLY A 31 -7.284 -4.908 -10.867 1.00 33.43 H new ATOM 485 N GLU A 32 -7.293 -2.796 -9.246 1.00 62.51 N ATOM 486 CA GLU A 32 -7.721 -1.852 -8.221 1.00 33.32 C ATOM 487 C GLU A 32 -8.851 -2.439 -7.379 1.00 53.54 C ATOM 488 O GLU A 32 -9.012 -2.094 -6.209 1.00 43.03 O ATOM 489 CB GLU A 32 -8.177 -0.540 -8.863 1.00 24.13 C ATOM 490 CG GLU A 32 -9.530 -0.635 -9.548 1.00 5.12 C ATOM 491 CD GLU A 32 -9.609 0.213 -10.802 1.00 40.23 C ATOM 492 OE1 GLU A 32 -8.765 1.120 -10.961 1.00 20.32 O ATOM 493 OE2 GLU A 32 -10.516 -0.030 -11.626 1.00 22.32 O ATOM 0 H GLU A 32 -7.292 -2.419 -10.194 1.00 62.51 H new ATOM 0 HA GLU A 32 -6.871 -1.653 -7.569 1.00 33.32 H new ATOM 0 HB2 GLU A 32 -8.221 0.234 -8.096 1.00 24.13 H new ATOM 0 HB3 GLU A 32 -7.431 -0.224 -9.593 1.00 24.13 H new ATOM 0 HG2 GLU A 32 -9.731 -1.675 -9.804 1.00 5.12 H new ATOM 0 HG3 GLU A 32 -10.308 -0.322 -8.852 1.00 5.12 H new ATOM 500 N GLY A 33 -9.633 -3.327 -7.985 1.00 71.14 N ATOM 501 CA GLY A 33 -10.739 -3.947 -7.278 1.00 44.24 C ATOM 502 C GLY A 33 -10.275 -4.824 -6.132 1.00 40.22 C ATOM 503 O GLY A 33 -10.704 -4.646 -4.993 1.00 73.11 O ATOM 0 H GLY A 33 -9.521 -3.628 -8.953 1.00 71.14 H new ATOM 0 HA2 GLY A 33 -11.401 -3.171 -6.893 1.00 44.24 H new ATOM 0 HA3 GLY A 33 -11.323 -4.546 -7.977 1.00 44.24 H new ATOM 507 N ASN A 34 -9.397 -5.775 -6.434 1.00 41.44 N ATOM 508 CA ASN A 34 -8.876 -6.685 -5.420 1.00 54.54 C ATOM 509 C ASN A 34 -8.157 -5.915 -4.317 1.00 24.10 C ATOM 510 O ASN A 34 -8.253 -6.261 -3.139 1.00 61.34 O ATOM 511 CB ASN A 34 -7.923 -7.698 -6.056 1.00 61.21 C ATOM 512 CG ASN A 34 -8.182 -9.114 -5.579 1.00 33.12 C ATOM 513 OD1 ASN A 34 -8.665 -9.957 -6.335 1.00 63.40 O ATOM 514 ND2 ASN A 34 -7.862 -9.381 -4.318 1.00 34.20 N ATOM 0 H ASN A 34 -9.031 -5.936 -7.373 1.00 41.44 H new ATOM 0 HA ASN A 34 -9.718 -7.217 -4.977 1.00 54.54 H new ATOM 0 HB2 ASN A 34 -8.026 -7.658 -7.140 1.00 61.21 H new ATOM 0 HB3 ASN A 34 -6.895 -7.421 -5.823 1.00 61.21 H new ATOM 0 HD21 ASN A 34 -8.014 -10.316 -3.940 1.00 34.20 H new ATOM 0 HD22 ASN A 34 -7.464 -8.651 -3.727 1.00 34.20 H new ATOM 521 N PHE A 35 -7.435 -4.869 -4.706 1.00 54.04 N ATOM 522 CA PHE A 35 -6.699 -4.050 -3.751 1.00 23.01 C ATOM 523 C PHE A 35 -7.653 -3.320 -2.811 1.00 12.32 C ATOM 524 O PHE A 35 -7.581 -3.476 -1.592 1.00 11.53 O ATOM 525 CB PHE A 35 -5.817 -3.039 -4.487 1.00 22.13 C ATOM 526 CG PHE A 35 -4.718 -3.675 -5.289 1.00 5.20 C ATOM 527 CD1 PHE A 35 -3.859 -4.593 -4.707 1.00 31.45 C ATOM 528 CD2 PHE A 35 -4.543 -3.354 -6.626 1.00 21.25 C ATOM 529 CE1 PHE A 35 -2.846 -5.179 -5.442 1.00 74.03 C ATOM 530 CE2 PHE A 35 -3.532 -3.937 -7.367 1.00 31.14 C ATOM 531 CZ PHE A 35 -2.683 -4.851 -6.774 1.00 74.53 C ATOM 0 H PHE A 35 -7.344 -4.569 -5.677 1.00 54.04 H new ATOM 0 HA PHE A 35 -6.066 -4.709 -3.157 1.00 23.01 H new ATOM 0 HB2 PHE A 35 -6.441 -2.440 -5.151 1.00 22.13 H new ATOM 0 HB3 PHE A 35 -5.377 -2.356 -3.760 1.00 22.13 H new ATOM 0 HD1 PHE A 35 -3.983 -4.854 -3.666 1.00 31.45 H new ATOM 0 HD2 PHE A 35 -5.204 -2.640 -7.094 1.00 21.25 H new ATOM 0 HE1 PHE A 35 -2.183 -5.892 -4.976 1.00 74.03 H new ATOM 0 HE2 PHE A 35 -3.406 -3.678 -8.408 1.00 31.14 H new ATOM 0 HZ PHE A 35 -1.893 -5.309 -7.351 1.00 74.53 H new ATOM 541 N ARG A 36 -8.546 -2.522 -3.387 1.00 15.11 N ATOM 542 CA ARG A 36 -9.514 -1.766 -2.601 1.00 54.34 C ATOM 543 C ARG A 36 -10.316 -2.690 -1.690 1.00 73.43 C ATOM 544 O ARG A 36 -10.808 -2.272 -0.642 1.00 51.54 O ATOM 545 CB ARG A 36 -10.461 -0.995 -3.524 1.00 4.33 C ATOM 546 CG ARG A 36 -9.759 0.038 -4.391 1.00 21.32 C ATOM 547 CD ARG A 36 -9.624 1.371 -3.671 1.00 73.44 C ATOM 548 NE ARG A 36 -10.667 2.313 -4.066 1.00 55.40 N ATOM 549 CZ ARG A 36 -10.760 3.549 -3.588 1.00 13.22 C ATOM 550 NH1 ARG A 36 -9.877 3.989 -2.702 1.00 41.14 N ATOM 551 NH2 ARG A 36 -11.738 4.348 -3.996 1.00 12.03 N ATOM 0 H ARG A 36 -8.619 -2.382 -4.395 1.00 15.11 H new ATOM 0 HA ARG A 36 -8.966 -1.058 -1.979 1.00 54.34 H new ATOM 0 HB2 ARG A 36 -10.984 -1.703 -4.168 1.00 4.33 H new ATOM 0 HB3 ARG A 36 -11.218 -0.496 -2.919 1.00 4.33 H new ATOM 0 HG2 ARG A 36 -8.771 -0.329 -4.668 1.00 21.32 H new ATOM 0 HG3 ARG A 36 -10.318 0.178 -5.316 1.00 21.32 H new ATOM 0 HD2 ARG A 36 -9.671 1.208 -2.594 1.00 73.44 H new ATOM 0 HD3 ARG A 36 -8.646 1.802 -3.886 1.00 73.44 H new ATOM 0 HE ARG A 36 -11.362 2.005 -4.746 1.00 55.40 H new ATOM 0 HH11 ARG A 36 -9.124 3.378 -2.386 1.00 41.14 H new ATOM 0 HH12 ARG A 36 -9.951 4.938 -2.337 1.00 41.14 H new ATOM 0 HH21 ARG A 36 -12.419 4.013 -4.677 1.00 12.03 H new ATOM 0 HH22 ARG A 36 -11.808 5.297 -3.628 1.00 12.03 H new ATOM 565 N TRP A 37 -10.444 -3.948 -2.097 1.00 60.03 N ATOM 566 CA TRP A 37 -11.187 -4.932 -1.318 1.00 2.23 C ATOM 567 C TRP A 37 -10.455 -5.264 -0.022 1.00 35.22 C ATOM 568 O TRP A 37 -10.985 -5.061 1.070 1.00 12.21 O ATOM 569 CB TRP A 37 -11.402 -6.205 -2.137 1.00 71.24 C ATOM 570 CG TRP A 37 -11.995 -7.330 -1.343 1.00 45.31 C ATOM 571 CD1 TRP A 37 -13.320 -7.550 -1.097 1.00 64.22 C ATOM 572 CD2 TRP A 37 -11.282 -8.386 -0.690 1.00 1.34 C ATOM 573 NE1 TRP A 37 -13.474 -8.680 -0.330 1.00 43.20 N ATOM 574 CE2 TRP A 37 -12.239 -9.211 -0.067 1.00 61.14 C ATOM 575 CE3 TRP A 37 -9.929 -8.715 -0.571 1.00 72.53 C ATOM 576 CZ2 TRP A 37 -11.884 -10.343 0.662 1.00 3.41 C ATOM 577 CZ3 TRP A 37 -9.578 -9.839 0.153 1.00 13.43 C ATOM 578 CH2 TRP A 37 -10.552 -10.642 0.762 1.00 51.23 C ATOM 0 H TRP A 37 -10.043 -4.311 -2.962 1.00 60.03 H new ATOM 0 HA TRP A 37 -12.157 -4.503 -1.067 1.00 2.23 H new ATOM 0 HB2 TRP A 37 -12.056 -5.980 -2.979 1.00 71.24 H new ATOM 0 HB3 TRP A 37 -10.447 -6.527 -2.552 1.00 71.24 H new ATOM 0 HD1 TRP A 37 -14.128 -6.928 -1.453 1.00 64.22 H new ATOM 0 HE1 TRP A 37 -14.364 -9.061 -0.009 1.00 43.20 H new ATOM 0 HE3 TRP A 37 -9.171 -8.102 -1.036 1.00 72.53 H new ATOM 0 HZ2 TRP A 37 -12.633 -10.963 1.132 1.00 3.41 H new ATOM 0 HZ3 TRP A 37 -8.535 -10.103 0.251 1.00 13.43 H new ATOM 0 HH2 TRP A 37 -10.246 -11.514 1.321 1.00 51.23 H new ATOM 589 N ALA A 38 -9.236 -5.776 -0.150 1.00 62.12 N ATOM 590 CA ALA A 38 -8.431 -6.134 1.011 1.00 35.24 C ATOM 591 C ALA A 38 -8.070 -4.900 1.831 1.00 52.13 C ATOM 592 O ALA A 38 -8.247 -4.879 3.049 1.00 4.22 O ATOM 593 CB ALA A 38 -7.172 -6.868 0.575 1.00 1.14 C ATOM 0 H ALA A 38 -8.784 -5.952 -1.047 1.00 62.12 H new ATOM 0 HA ALA A 38 -9.024 -6.796 1.642 1.00 35.24 H new ATOM 0 HB1 ALA A 38 -6.581 -7.129 1.453 1.00 1.14 H new ATOM 0 HB2 ALA A 38 -7.448 -7.777 0.040 1.00 1.14 H new ATOM 0 HB3 ALA A 38 -6.584 -6.225 -0.080 1.00 1.14 H new ATOM 599 N ILE A 39 -7.564 -3.874 1.155 1.00 63.34 N ATOM 600 CA ILE A 39 -7.178 -2.636 1.821 1.00 72.52 C ATOM 601 C ILE A 39 -8.309 -2.108 2.696 1.00 15.02 C ATOM 602 O ILE A 39 -8.143 -1.929 3.903 1.00 44.23 O ATOM 603 CB ILE A 39 -6.781 -1.550 0.804 1.00 25.21 C ATOM 604 CG1 ILE A 39 -5.604 -2.027 -0.051 1.00 13.14 C ATOM 605 CG2 ILE A 39 -6.430 -0.255 1.522 1.00 31.52 C ATOM 606 CD1 ILE A 39 -5.466 -1.280 -1.359 1.00 33.12 C ATOM 0 H ILE A 39 -7.412 -3.876 0.146 1.00 63.34 H new ATOM 0 HA ILE A 39 -6.316 -2.869 2.446 1.00 72.52 H new ATOM 0 HB ILE A 39 -7.630 -1.360 0.147 1.00 25.21 H new ATOM 0 HG12 ILE A 39 -4.682 -1.917 0.520 1.00 13.14 H new ATOM 0 HG13 ILE A 39 -5.724 -3.090 -0.260 1.00 13.14 H new ATOM 0 HG21 ILE A 39 -6.151 0.503 0.790 1.00 31.52 H new ATOM 0 HG22 ILE A 39 -7.293 0.090 2.092 1.00 31.52 H new ATOM 0 HG23 ILE A 39 -5.594 -0.430 2.199 1.00 31.52 H new ATOM 0 HD11 ILE A 39 -4.612 -1.670 -1.913 1.00 33.12 H new ATOM 0 HD12 ILE A 39 -6.372 -1.411 -1.950 1.00 33.12 H new ATOM 0 HD13 ILE A 39 -5.314 -0.220 -1.158 1.00 33.12 H new ATOM 618 N ARG A 40 -9.461 -1.862 2.080 1.00 12.24 N ATOM 619 CA ARG A 40 -10.621 -1.354 2.803 1.00 30.55 C ATOM 620 C ARG A 40 -10.923 -2.221 4.023 1.00 52.32 C ATOM 621 O ARG A 40 -11.129 -1.710 5.123 1.00 34.13 O ATOM 622 CB ARG A 40 -11.842 -1.307 1.883 1.00 61.10 C ATOM 623 CG ARG A 40 -13.088 -0.752 2.553 1.00 53.35 C ATOM 624 CD ARG A 40 -14.353 -1.217 1.848 1.00 13.23 C ATOM 625 NE ARG A 40 -15.378 -0.177 1.821 1.00 53.14 N ATOM 626 CZ ARG A 40 -16.640 -0.398 1.468 1.00 42.40 C ATOM 627 NH1 ARG A 40 -17.030 -1.615 1.115 1.00 2.34 N ATOM 628 NH2 ARG A 40 -17.514 0.600 1.468 1.00 53.41 N ATOM 0 H ARG A 40 -9.616 -2.006 1.082 1.00 12.24 H new ATOM 0 HA ARG A 40 -10.392 -0.344 3.143 1.00 30.55 H new ATOM 0 HB2 ARG A 40 -11.606 -0.697 1.011 1.00 61.10 H new ATOM 0 HB3 ARG A 40 -12.052 -2.313 1.520 1.00 61.10 H new ATOM 0 HG2 ARG A 40 -13.114 -1.069 3.596 1.00 53.35 H new ATOM 0 HG3 ARG A 40 -13.049 0.337 2.552 1.00 53.35 H new ATOM 0 HD2 ARG A 40 -14.111 -1.514 0.828 1.00 13.23 H new ATOM 0 HD3 ARG A 40 -14.746 -2.100 2.352 1.00 13.23 H new ATOM 0 HE ARG A 40 -15.111 0.771 2.088 1.00 53.14 H new ATOM 0 HH11 ARG A 40 -16.361 -2.385 1.114 1.00 2.34 H new ATOM 0 HH12 ARG A 40 -17.999 -1.782 0.845 1.00 2.34 H new ATOM 0 HH21 ARG A 40 -17.218 1.538 1.739 1.00 53.41 H new ATOM 0 HH22 ARG A 40 -18.482 0.430 1.197 1.00 53.41 H new ATOM 642 N MET A 41 -10.948 -3.534 3.818 1.00 40.41 N ATOM 643 CA MET A 41 -11.224 -4.470 4.901 1.00 73.52 C ATOM 644 C MET A 41 -10.314 -4.204 6.096 1.00 71.24 C ATOM 645 O MET A 41 -10.735 -4.320 7.246 1.00 21.41 O ATOM 646 CB MET A 41 -11.042 -5.910 4.417 1.00 72.40 C ATOM 647 CG MET A 41 -12.321 -6.732 4.458 1.00 43.40 C ATOM 648 SD MET A 41 -12.239 -8.196 3.410 1.00 74.25 S ATOM 649 CE MET A 41 -10.920 -9.110 4.206 1.00 52.45 C ATOM 0 H MET A 41 -10.781 -3.973 2.913 1.00 40.41 H new ATOM 0 HA MET A 41 -12.258 -4.328 5.216 1.00 73.52 H new ATOM 0 HB2 MET A 41 -10.662 -5.896 3.396 1.00 72.40 H new ATOM 0 HB3 MET A 41 -10.286 -6.398 5.032 1.00 72.40 H new ATOM 0 HG2 MET A 41 -12.520 -7.036 5.486 1.00 43.40 H new ATOM 0 HG3 MET A 41 -13.158 -6.110 4.142 1.00 43.40 H new ATOM 0 HE1 MET A 41 -10.822 -10.089 3.738 1.00 52.45 H new ATOM 0 HE2 MET A 41 -9.983 -8.562 4.101 1.00 52.45 H new ATOM 0 HE3 MET A 41 -11.151 -9.235 5.264 1.00 52.45 H new ATOM 659 N ALA A 42 -9.065 -3.847 5.814 1.00 33.15 N ATOM 660 CA ALA A 42 -8.097 -3.563 6.866 1.00 1.12 C ATOM 661 C ALA A 42 -8.281 -2.152 7.415 1.00 21.33 C ATOM 662 O ALA A 42 -8.170 -1.926 8.619 1.00 11.44 O ATOM 663 CB ALA A 42 -6.680 -3.747 6.343 1.00 51.12 C ATOM 0 H ALA A 42 -8.700 -3.748 4.867 1.00 33.15 H new ATOM 0 HA ALA A 42 -8.266 -4.267 7.681 1.00 1.12 H new ATOM 0 HB1 ALA A 42 -5.967 -3.532 7.139 1.00 51.12 H new ATOM 0 HB2 ALA A 42 -6.547 -4.775 6.006 1.00 51.12 H new ATOM 0 HB3 ALA A 42 -6.509 -3.066 5.509 1.00 51.12 H new ATOM 669 N ASN A 43 -8.562 -1.207 6.524 1.00 21.20 N ATOM 670 CA ASN A 43 -8.760 0.182 6.920 1.00 10.31 C ATOM 671 C ASN A 43 -9.900 0.304 7.927 1.00 62.20 C ATOM 672 O ASN A 43 -9.956 1.255 8.706 1.00 42.40 O ATOM 673 CB ASN A 43 -9.054 1.047 5.693 1.00 54.22 C ATOM 674 CG ASN A 43 -9.308 2.498 6.055 1.00 22.11 C ATOM 675 OD1 ASN A 43 -8.818 2.990 7.072 1.00 72.02 O ATOM 676 ND2 ASN A 43 -10.077 3.190 5.222 1.00 24.13 N ATOM 0 H ASN A 43 -8.658 -1.378 5.523 1.00 21.20 H new ATOM 0 HA ASN A 43 -7.843 0.533 7.392 1.00 10.31 H new ATOM 0 HB2 ASN A 43 -8.213 0.990 5.002 1.00 54.22 H new ATOM 0 HB3 ASN A 43 -9.924 0.648 5.171 1.00 54.22 H new ATOM 0 HD21 ASN A 43 -10.283 4.170 5.413 1.00 24.13 H new ATOM 0 HD22 ASN A 43 -10.462 2.741 4.391 1.00 24.13 H new ATOM 683 N VAL A 44 -10.807 -0.667 7.905 1.00 32.44 N ATOM 684 CA VAL A 44 -11.945 -0.671 8.817 1.00 11.11 C ATOM 685 C VAL A 44 -11.720 -1.639 9.973 1.00 0.22 C ATOM 686 O VAL A 44 -11.761 -1.249 11.140 1.00 42.40 O ATOM 687 CB VAL A 44 -13.247 -1.053 8.088 1.00 10.02 C ATOM 688 CG1 VAL A 44 -14.447 -0.863 9.003 1.00 11.33 C ATOM 689 CG2 VAL A 44 -13.403 -0.237 6.814 1.00 11.31 C ATOM 0 H VAL A 44 -10.776 -1.461 7.266 1.00 32.44 H new ATOM 0 HA VAL A 44 -12.040 0.342 9.209 1.00 11.11 H new ATOM 0 HB VAL A 44 -13.193 -2.106 7.813 1.00 10.02 H new ATOM 0 HG11 VAL A 44 -15.358 -1.138 8.471 1.00 11.33 H new ATOM 0 HG12 VAL A 44 -14.337 -1.496 9.884 1.00 11.33 H new ATOM 0 HG13 VAL A 44 -14.508 0.181 9.311 1.00 11.33 H new ATOM 0 HG21 VAL A 44 -14.328 -0.520 6.312 1.00 11.31 H new ATOM 0 HG22 VAL A 44 -13.435 0.824 7.063 1.00 11.31 H new ATOM 0 HG23 VAL A 44 -12.558 -0.429 6.153 1.00 11.31 H new ATOM 699 N SER A 45 -11.482 -2.904 9.641 1.00 4.41 N ATOM 700 CA SER A 45 -11.253 -3.929 10.652 1.00 21.30 C ATOM 701 C SER A 45 -10.155 -3.502 11.621 1.00 2.20 C ATOM 702 O SER A 45 -10.228 -3.772 12.820 1.00 10.13 O ATOM 703 CB SER A 45 -10.875 -5.255 9.988 1.00 50.32 C ATOM 704 OG SER A 45 -10.738 -6.286 10.950 1.00 63.23 O ATOM 0 H SER A 45 -11.443 -3.243 8.680 1.00 4.41 H new ATOM 0 HA SER A 45 -12.177 -4.062 11.214 1.00 21.30 H new ATOM 0 HB2 SER A 45 -11.638 -5.531 9.260 1.00 50.32 H new ATOM 0 HB3 SER A 45 -9.940 -5.138 9.440 1.00 50.32 H new ATOM 0 HG SER A 45 -10.498 -7.123 10.500 1.00 63.23 H new ATOM 710 N THR A 46 -9.135 -2.832 11.092 1.00 14.12 N ATOM 711 CA THR A 46 -8.021 -2.367 11.908 1.00 23.31 C ATOM 712 C THR A 46 -7.839 -0.859 11.783 1.00 12.13 C ATOM 713 O THR A 46 -6.719 -0.367 11.658 1.00 43.12 O ATOM 714 CB THR A 46 -6.706 -3.066 11.513 1.00 42.52 C ATOM 715 OG1 THR A 46 -6.250 -2.572 10.248 1.00 2.44 O ATOM 716 CG2 THR A 46 -6.896 -4.573 11.436 1.00 44.15 C ATOM 0 H THR A 46 -9.058 -2.600 10.102 1.00 14.12 H new ATOM 0 HA THR A 46 -8.261 -2.616 12.942 1.00 23.31 H new ATOM 0 HB THR A 46 -5.960 -2.849 12.278 1.00 42.52 H new ATOM 0 HG1 THR A 46 -6.970 -2.651 9.587 1.00 2.44 H new ATOM 0 HG21 THR A 46 -5.954 -5.045 11.155 1.00 44.15 H new ATOM 0 HG22 THR A 46 -7.215 -4.950 12.408 1.00 44.15 H new ATOM 0 HG23 THR A 46 -7.655 -4.806 10.689 1.00 44.15 H new ATOM 851 N THR A 56 0.409 7.610 4.127 1.00 63.32 N ATOM 852 CA THR A 56 1.693 7.594 4.816 1.00 2.13 C ATOM 853 C THR A 56 2.232 6.174 4.943 1.00 32.34 C ATOM 854 O THR A 56 1.577 5.299 5.511 1.00 33.33 O ATOM 855 CB THR A 56 1.584 8.217 6.221 1.00 42.23 C ATOM 856 OG1 THR A 56 0.897 7.322 7.102 1.00 74.01 O ATOM 857 CG2 THR A 56 0.849 9.548 6.167 1.00 60.12 C ATOM 0 HA THR A 56 2.381 8.188 4.215 1.00 2.13 H new ATOM 0 HB THR A 56 2.592 8.392 6.596 1.00 42.23 H new ATOM 0 HG1 THR A 56 0.833 7.725 7.993 1.00 74.01 H new ATOM 0 HG21 THR A 56 0.784 9.969 7.170 1.00 60.12 H new ATOM 0 HG22 THR A 56 1.391 10.237 5.519 1.00 60.12 H new ATOM 0 HG23 THR A 56 -0.155 9.393 5.773 1.00 60.12 H new ATOM 865 N LEU A 57 3.429 5.950 4.412 1.00 13.33 N ATOM 866 CA LEU A 57 4.057 4.635 4.467 1.00 34.41 C ATOM 867 C LEU A 57 4.131 4.126 5.903 1.00 12.12 C ATOM 868 O LEU A 57 4.139 2.919 6.145 1.00 30.02 O ATOM 869 CB LEU A 57 5.460 4.692 3.861 1.00 30.22 C ATOM 870 CG LEU A 57 5.703 3.798 2.645 1.00 71.51 C ATOM 871 CD1 LEU A 57 5.376 2.349 2.974 1.00 41.15 C ATOM 872 CD2 LEU A 57 4.879 4.276 1.458 1.00 23.01 C ATOM 0 H LEU A 57 3.984 6.663 3.938 1.00 13.33 H new ATOM 0 HA LEU A 57 3.446 3.944 3.887 1.00 34.41 H new ATOM 0 HB2 LEU A 57 5.669 5.723 3.576 1.00 30.22 H new ATOM 0 HB3 LEU A 57 6.179 4.423 4.634 1.00 30.22 H new ATOM 0 HG LEU A 57 6.758 3.860 2.378 1.00 71.51 H new ATOM 0 HD11 LEU A 57 5.555 1.727 2.097 1.00 41.15 H new ATOM 0 HD12 LEU A 57 6.009 2.010 3.794 1.00 41.15 H new ATOM 0 HD13 LEU A 57 4.329 2.270 3.267 1.00 41.15 H new ATOM 0 HD21 LEU A 57 5.065 3.628 0.602 1.00 23.01 H new ATOM 0 HD22 LEU A 57 3.820 4.245 1.714 1.00 23.01 H new ATOM 0 HD23 LEU A 57 5.161 5.298 1.207 1.00 23.01 H new ATOM 884 N ASP A 58 4.183 5.054 6.852 1.00 15.40 N ATOM 885 CA ASP A 58 4.252 4.700 8.265 1.00 4.50 C ATOM 886 C ASP A 58 2.949 4.059 8.730 1.00 53.03 C ATOM 887 O ASP A 58 2.959 3.026 9.398 1.00 33.13 O ATOM 888 CB ASP A 58 4.555 5.940 9.109 1.00 74.22 C ATOM 889 CG ASP A 58 4.984 5.589 10.520 1.00 72.02 C ATOM 890 OD1 ASP A 58 6.192 5.354 10.732 1.00 61.33 O ATOM 891 OD2 ASP A 58 4.112 5.551 11.413 1.00 73.45 O ATOM 0 H ASP A 58 4.179 6.057 6.668 1.00 15.40 H new ATOM 0 HA ASP A 58 5.057 3.976 8.394 1.00 4.50 H new ATOM 0 HB2 ASP A 58 5.342 6.521 8.627 1.00 74.22 H new ATOM 0 HB3 ASP A 58 3.669 6.574 9.149 1.00 74.22 H new ATOM 896 N GLN A 59 1.829 4.680 8.372 1.00 62.45 N ATOM 897 CA GLN A 59 0.518 4.170 8.754 1.00 72.52 C ATOM 898 C GLN A 59 0.227 2.842 8.062 1.00 63.21 C ATOM 899 O GLN A 59 -0.139 1.860 8.709 1.00 74.33 O ATOM 900 CB GLN A 59 -0.570 5.188 8.407 1.00 63.32 C ATOM 901 CG GLN A 59 -1.964 4.757 8.833 1.00 52.43 C ATOM 902 CD GLN A 59 -2.553 5.660 9.899 1.00 73.11 C ATOM 903 OE1 GLN A 59 -2.592 6.881 9.743 1.00 23.33 O ATOM 904 NE2 GLN A 59 -3.017 5.062 10.990 1.00 2.55 N ATOM 0 H GLN A 59 1.804 5.536 7.818 1.00 62.45 H new ATOM 0 HA GLN A 59 0.521 4.005 9.831 1.00 72.52 H new ATOM 0 HB2 GLN A 59 -0.331 6.139 8.883 1.00 63.32 H new ATOM 0 HB3 GLN A 59 -0.565 5.360 7.331 1.00 63.32 H new ATOM 0 HG2 GLN A 59 -2.621 4.752 7.963 1.00 52.43 H new ATOM 0 HG3 GLN A 59 -1.925 3.735 9.209 1.00 52.43 H new ATOM 0 HE21 GLN A 59 -2.964 4.047 11.077 1.00 2.55 H new ATOM 0 HE22 GLN A 59 -3.426 5.618 11.741 1.00 2.55 H new ATOM 913 N LEU A 60 0.393 2.819 6.744 1.00 33.30 N ATOM 914 CA LEU A 60 0.148 1.611 5.963 1.00 31.13 C ATOM 915 C LEU A 60 0.993 0.450 6.477 1.00 34.44 C ATOM 916 O LEU A 60 0.493 -0.660 6.662 1.00 31.31 O ATOM 917 CB LEU A 60 0.454 1.864 4.486 1.00 13.10 C ATOM 918 CG LEU A 60 0.351 0.650 3.562 1.00 54.44 C ATOM 919 CD1 LEU A 60 -0.950 0.688 2.774 1.00 44.43 C ATOM 920 CD2 LEU A 60 1.545 0.594 2.621 1.00 62.24 C ATOM 0 H LEU A 60 0.696 3.623 6.194 1.00 33.30 H new ATOM 0 HA LEU A 60 -0.904 1.346 6.070 1.00 31.13 H new ATOM 0 HB2 LEU A 60 -0.227 2.632 4.121 1.00 13.10 H new ATOM 0 HB3 LEU A 60 1.463 2.270 4.409 1.00 13.10 H new ATOM 0 HG LEU A 60 0.354 -0.251 4.175 1.00 54.44 H new ATOM 0 HD11 LEU A 60 -1.006 -0.184 2.122 1.00 44.43 H new ATOM 0 HD12 LEU A 60 -1.794 0.680 3.464 1.00 44.43 H new ATOM 0 HD13 LEU A 60 -0.984 1.595 2.171 1.00 44.43 H new ATOM 0 HD21 LEU A 60 1.455 -0.276 1.971 1.00 62.24 H new ATOM 0 HD22 LEU A 60 1.573 1.499 2.014 1.00 62.24 H new ATOM 0 HD23 LEU A 60 2.464 0.519 3.203 1.00 62.24 H new ATOM 932 N ARG A 61 2.274 0.714 6.708 1.00 24.25 N ATOM 933 CA ARG A 61 3.188 -0.309 7.203 1.00 63.05 C ATOM 934 C ARG A 61 2.692 -0.890 8.523 1.00 12.44 C ATOM 935 O ARG A 61 2.685 -2.106 8.716 1.00 61.33 O ATOM 936 CB ARG A 61 4.591 0.275 7.385 1.00 74.22 C ATOM 937 CG ARG A 61 5.584 -0.705 7.988 1.00 44.43 C ATOM 938 CD ARG A 61 6.882 -0.739 7.196 1.00 24.21 C ATOM 939 NE ARG A 61 8.055 -0.746 8.067 1.00 34.32 N ATOM 940 CZ ARG A 61 9.294 -0.937 7.630 1.00 42.15 C ATOM 941 NH1 ARG A 61 9.522 -1.135 6.338 1.00 11.44 N ATOM 942 NH2 ARG A 61 10.309 -0.929 8.484 1.00 23.51 N ATOM 0 H ARG A 61 2.703 1.627 6.561 1.00 24.25 H new ATOM 0 HA ARG A 61 3.228 -1.111 6.466 1.00 63.05 H new ATOM 0 HB2 ARG A 61 4.965 0.609 6.417 1.00 74.22 H new ATOM 0 HB3 ARG A 61 4.529 1.156 8.024 1.00 74.22 H new ATOM 0 HG2 ARG A 61 5.793 -0.424 9.020 1.00 44.43 H new ATOM 0 HG3 ARG A 61 5.144 -1.702 8.012 1.00 44.43 H new ATOM 0 HD2 ARG A 61 6.896 -1.625 6.562 1.00 24.21 H new ATOM 0 HD3 ARG A 61 6.926 0.127 6.535 1.00 24.21 H new ATOM 0 HE ARG A 61 7.914 -0.596 9.066 1.00 34.32 H new ATOM 0 HH11 ARG A 61 8.744 -1.141 5.678 1.00 11.44 H new ATOM 0 HH12 ARG A 61 10.475 -1.281 6.005 1.00 11.44 H new ATOM 0 HH21 ARG A 61 10.138 -0.776 9.478 1.00 23.51 H new ATOM 0 HH22 ARG A 61 11.260 -1.076 8.147 1.00 23.51 H new ATOM 956 N LEU A 62 2.277 -0.012 9.431 1.00 65.24 N ATOM 957 CA LEU A 62 1.779 -0.437 10.734 1.00 24.03 C ATOM 958 C LEU A 62 0.512 -1.273 10.587 1.00 10.21 C ATOM 959 O LEU A 62 0.252 -2.172 11.387 1.00 10.30 O ATOM 960 CB LEU A 62 1.501 0.781 11.618 1.00 63.45 C ATOM 961 CG LEU A 62 2.113 0.747 13.019 1.00 51.35 C ATOM 962 CD1 LEU A 62 1.722 -0.533 13.741 1.00 4.42 C ATOM 963 CD2 LEU A 62 3.627 0.878 12.943 1.00 41.43 C ATOM 0 H LEU A 62 2.276 0.998 9.288 1.00 65.24 H new ATOM 0 HA LEU A 62 2.545 -1.053 11.205 1.00 24.03 H new ATOM 0 HB2 LEU A 62 1.868 1.669 11.104 1.00 63.45 H new ATOM 0 HB3 LEU A 62 0.421 0.894 11.717 1.00 63.45 H new ATOM 0 HG LEU A 62 1.724 1.593 13.586 1.00 51.35 H new ATOM 0 HD11 LEU A 62 2.167 -0.540 14.736 1.00 4.42 H new ATOM 0 HD12 LEU A 62 0.637 -0.585 13.828 1.00 4.42 H new ATOM 0 HD13 LEU A 62 2.082 -1.393 13.177 1.00 4.42 H new ATOM 0 HD21 LEU A 62 4.045 0.852 13.949 1.00 41.43 H new ATOM 0 HD22 LEU A 62 4.035 0.053 12.359 1.00 41.43 H new ATOM 0 HD23 LEU A 62 3.887 1.823 12.466 1.00 41.43 H new ATOM 975 N VAL A 63 -0.273 -0.972 9.558 1.00 51.45 N ATOM 976 CA VAL A 63 -1.512 -1.697 9.303 1.00 61.11 C ATOM 977 C VAL A 63 -1.235 -3.162 8.984 1.00 52.14 C ATOM 978 O VAL A 63 -1.769 -4.061 9.634 1.00 54.12 O ATOM 979 CB VAL A 63 -2.301 -1.069 8.138 1.00 23.33 C ATOM 980 CG1 VAL A 63 -3.572 -1.859 7.867 1.00 21.31 C ATOM 981 CG2 VAL A 63 -2.622 0.387 8.437 1.00 41.30 C ATOM 0 H VAL A 63 -0.073 -0.230 8.887 1.00 51.45 H new ATOM 0 HA VAL A 63 -2.110 -1.633 10.212 1.00 61.11 H new ATOM 0 HB VAL A 63 -1.682 -1.104 7.241 1.00 23.33 H new ATOM 0 HG11 VAL A 63 -4.116 -1.401 7.041 1.00 21.31 H new ATOM 0 HG12 VAL A 63 -3.314 -2.885 7.606 1.00 21.31 H new ATOM 0 HG13 VAL A 63 -4.198 -1.858 8.759 1.00 21.31 H new ATOM 0 HG21 VAL A 63 -3.179 0.815 7.604 1.00 41.30 H new ATOM 0 HG22 VAL A 63 -3.222 0.448 9.345 1.00 41.30 H new ATOM 0 HG23 VAL A 63 -1.695 0.943 8.577 1.00 41.30 H new ATOM 991 N ILE A 64 -0.397 -3.395 7.979 1.00 12.41 N ATOM 992 CA ILE A 64 -0.048 -4.751 7.575 1.00 52.23 C ATOM 993 C ILE A 64 0.487 -5.556 8.754 1.00 12.32 C ATOM 994 O ILE A 64 0.108 -6.711 8.954 1.00 40.45 O ATOM 995 CB ILE A 64 1.003 -4.750 6.449 1.00 2.33 C ATOM 996 CG1 ILE A 64 0.487 -3.967 5.240 1.00 20.01 C ATOM 997 CG2 ILE A 64 1.356 -6.176 6.053 1.00 41.52 C ATOM 998 CD1 ILE A 64 1.477 -3.896 4.099 1.00 42.02 C ATOM 0 H ILE A 64 0.053 -2.662 7.430 1.00 12.41 H new ATOM 0 HA ILE A 64 -0.963 -5.216 7.207 1.00 52.23 H new ATOM 0 HB ILE A 64 1.906 -4.261 6.815 1.00 2.33 H new ATOM 0 HG12 ILE A 64 -0.433 -4.430 4.884 1.00 20.01 H new ATOM 0 HG13 ILE A 64 0.234 -2.954 5.554 1.00 20.01 H new ATOM 0 HG21 ILE A 64 2.100 -6.159 5.256 1.00 41.52 H new ATOM 0 HG22 ILE A 64 1.761 -6.704 6.916 1.00 41.52 H new ATOM 0 HG23 ILE A 64 0.460 -6.688 5.702 1.00 41.52 H new ATOM 0 HD11 ILE A 64 1.044 -3.326 3.277 1.00 42.02 H new ATOM 0 HD12 ILE A 64 2.389 -3.406 4.439 1.00 42.02 H new ATOM 0 HD13 ILE A 64 1.712 -4.904 3.758 1.00 42.02 H new ATOM 1010 N CYS A 65 1.367 -4.938 9.534 1.00 63.23 N ATOM 1011 CA CYS A 65 1.954 -5.597 10.695 1.00 2.23 C ATOM 1012 C CYS A 65 0.880 -5.961 11.715 1.00 54.14 C ATOM 1013 O CYS A 65 0.761 -7.117 12.120 1.00 20.14 O ATOM 1014 CB CYS A 65 3.004 -4.693 11.344 1.00 70.13 C ATOM 1015 SG CYS A 65 4.497 -4.465 10.350 1.00 60.04 S ATOM 0 H CYS A 65 1.689 -3.982 9.384 1.00 63.23 H new ATOM 0 HA CYS A 65 2.434 -6.515 10.356 1.00 2.23 H new ATOM 0 HB2 CYS A 65 2.558 -3.718 11.539 1.00 70.13 H new ATOM 0 HB3 CYS A 65 3.284 -5.114 12.310 1.00 70.13 H new ATOM 0 HG CYS A 65 4.281 -3.558 9.444 1.00 60.04 H new ATOM 1021 N ASP A 66 0.100 -4.967 12.125 1.00 2.42 N ATOM 1022 CA ASP A 66 -0.965 -5.182 13.098 1.00 3.41 C ATOM 1023 C ASP A 66 -1.935 -6.255 12.614 1.00 44.23 C ATOM 1024 O ASP A 66 -2.294 -7.166 13.361 1.00 5.43 O ATOM 1025 CB ASP A 66 -1.718 -3.876 13.359 1.00 63.13 C ATOM 1026 CG ASP A 66 -2.905 -4.067 14.282 1.00 1.00 C ATOM 1027 OD1 ASP A 66 -2.691 -4.443 15.453 1.00 24.12 O ATOM 1028 OD2 ASP A 66 -4.048 -3.841 13.833 1.00 35.12 O ATOM 0 H ASP A 66 0.185 -4.004 11.799 1.00 2.42 H new ATOM 0 HA ASP A 66 -0.510 -5.522 14.028 1.00 3.41 H new ATOM 0 HB2 ASP A 66 -1.035 -3.147 13.796 1.00 63.13 H new ATOM 0 HB3 ASP A 66 -2.062 -3.462 12.411 1.00 63.13 H new ATOM 1033 N LEU A 67 -2.356 -6.141 11.359 1.00 13.01 N ATOM 1034 CA LEU A 67 -3.286 -7.101 10.774 1.00 32.04 C ATOM 1035 C LEU A 67 -2.664 -8.492 10.711 1.00 70.32 C ATOM 1036 O LEU A 67 -3.337 -9.494 10.950 1.00 20.34 O ATOM 1037 CB LEU A 67 -3.701 -6.651 9.372 1.00 4.45 C ATOM 1038 CG LEU A 67 -5.188 -6.772 9.041 1.00 14.51 C ATOM 1039 CD1 LEU A 67 -5.441 -6.421 7.583 1.00 64.42 C ATOM 1040 CD2 LEU A 67 -5.691 -8.174 9.349 1.00 32.34 C ATOM 0 H LEU A 67 -2.068 -5.394 10.727 1.00 13.01 H new ATOM 0 HA LEU A 67 -4.170 -7.147 11.410 1.00 32.04 H new ATOM 0 HB2 LEU A 67 -3.404 -5.610 9.244 1.00 4.45 H new ATOM 0 HB3 LEU A 67 -3.138 -7.235 8.643 1.00 4.45 H new ATOM 0 HG LEU A 67 -5.737 -6.066 9.664 1.00 14.51 H new ATOM 0 HD11 LEU A 67 -6.505 -6.513 7.366 1.00 64.42 H new ATOM 0 HD12 LEU A 67 -5.119 -5.397 7.394 1.00 64.42 H new ATOM 0 HD13 LEU A 67 -4.880 -7.101 6.942 1.00 64.42 H new ATOM 0 HD21 LEU A 67 -6.752 -8.241 9.107 1.00 32.34 H new ATOM 0 HD22 LEU A 67 -5.136 -8.899 8.753 1.00 32.34 H new ATOM 0 HD23 LEU A 67 -5.546 -8.388 10.408 1.00 32.34 H new ATOM 1052 N GLN A 68 -1.376 -8.545 10.388 1.00 3.54 N ATOM 1053 CA GLN A 68 -0.663 -9.813 10.295 1.00 21.22 C ATOM 1054 C GLN A 68 -0.784 -10.602 11.595 1.00 62.22 C ATOM 1055 O GLN A 68 -1.096 -11.792 11.582 1.00 71.32 O ATOM 1056 CB GLN A 68 0.811 -9.571 9.967 1.00 63.10 C ATOM 1057 CG GLN A 68 1.623 -10.850 9.835 1.00 1.41 C ATOM 1058 CD GLN A 68 1.268 -11.641 8.591 1.00 4.45 C ATOM 1059 OE1 GLN A 68 1.993 -11.612 7.596 1.00 55.00 O ATOM 1060 NE2 GLN A 68 0.149 -12.353 8.642 1.00 51.00 N ATOM 0 H GLN A 68 -0.805 -7.724 10.186 1.00 3.54 H new ATOM 0 HA GLN A 68 -1.115 -10.397 9.493 1.00 21.22 H new ATOM 0 HB2 GLN A 68 0.880 -9.009 9.036 1.00 63.10 H new ATOM 0 HB3 GLN A 68 1.251 -8.950 10.747 1.00 63.10 H new ATOM 0 HG2 GLN A 68 2.684 -10.602 9.812 1.00 1.41 H new ATOM 0 HG3 GLN A 68 1.460 -11.472 10.715 1.00 1.41 H new ATOM 0 HE21 GLN A 68 -0.421 -12.347 9.488 1.00 51.00 H new ATOM 0 HE22 GLN A 68 -0.141 -12.906 7.835 1.00 51.00 H new ATOM 1069 N GLU A 69 -0.534 -9.931 12.715 1.00 41.24 N ATOM 1070 CA GLU A 69 -0.614 -10.571 14.022 1.00 1.13 C ATOM 1071 C GLU A 69 -2.043 -11.012 14.326 1.00 40.04 C ATOM 1072 O GLU A 69 -2.268 -12.097 14.862 1.00 73.12 O ATOM 1073 CB GLU A 69 -0.121 -9.617 15.113 1.00 64.44 C ATOM 1074 CG GLU A 69 0.344 -10.324 16.375 1.00 75.30 C ATOM 1075 CD GLU A 69 0.756 -9.357 17.467 1.00 4.21 C ATOM 1076 OE1 GLU A 69 0.875 -8.148 17.176 1.00 21.33 O ATOM 1077 OE2 GLU A 69 0.961 -9.809 18.613 1.00 34.03 O ATOM 0 H GLU A 69 -0.275 -8.945 12.743 1.00 41.24 H new ATOM 0 HA GLU A 69 0.025 -11.454 14.005 1.00 1.13 H new ATOM 0 HB2 GLU A 69 0.701 -9.020 14.718 1.00 64.44 H new ATOM 0 HB3 GLU A 69 -0.924 -8.925 15.369 1.00 64.44 H new ATOM 0 HG2 GLU A 69 -0.457 -10.964 16.745 1.00 75.30 H new ATOM 0 HG3 GLU A 69 1.185 -10.974 16.134 1.00 75.30 H new ATOM 1084 N ARG A 70 -3.004 -10.162 13.979 1.00 33.31 N ATOM 1085 CA ARG A 70 -4.411 -10.463 14.216 1.00 52.25 C ATOM 1086 C ARG A 70 -4.842 -11.701 13.434 1.00 4.22 C ATOM 1087 O ARG A 70 -5.370 -12.655 14.005 1.00 4.14 O ATOM 1088 CB ARG A 70 -5.283 -9.269 13.821 1.00 21.10 C ATOM 1089 CG ARG A 70 -5.965 -8.597 15.001 1.00 12.22 C ATOM 1090 CD ARG A 70 -7.373 -9.132 15.209 1.00 14.23 C ATOM 1091 NE ARG A 70 -7.860 -8.881 16.563 1.00 3.43 N ATOM 1092 CZ ARG A 70 -7.486 -9.591 17.622 1.00 74.01 C ATOM 1093 NH1 ARG A 70 -6.627 -10.591 17.484 1.00 43.22 N ATOM 1094 NH2 ARG A 70 -7.973 -9.301 18.822 1.00 70.41 N ATOM 0 H ARG A 70 -2.834 -9.260 13.533 1.00 33.31 H new ATOM 0 HA ARG A 70 -4.540 -10.663 15.280 1.00 52.25 H new ATOM 0 HB2 ARG A 70 -4.666 -8.535 13.302 1.00 21.10 H new ATOM 0 HB3 ARG A 70 -6.043 -9.603 13.115 1.00 21.10 H new ATOM 0 HG2 ARG A 70 -5.376 -8.759 15.904 1.00 12.22 H new ATOM 0 HG3 ARG A 70 -6.004 -7.520 14.835 1.00 12.22 H new ATOM 0 HD2 ARG A 70 -8.047 -8.667 14.489 1.00 14.23 H new ATOM 0 HD3 ARG A 70 -7.386 -10.204 15.012 1.00 14.23 H new ATOM 0 HE ARG A 70 -8.523 -8.119 16.703 1.00 3.43 H new ATOM 0 HH11 ARG A 70 -6.251 -10.817 16.563 1.00 43.22 H new ATOM 0 HH12 ARG A 70 -6.342 -11.134 18.299 1.00 43.22 H new ATOM 0 HH21 ARG A 70 -8.635 -8.533 18.932 1.00 70.41 H new ATOM 0 HH22 ARG A 70 -7.685 -9.846 19.635 1.00 70.41 H new ATOM 1108 N ARG A 71 -4.612 -11.677 12.125 1.00 34.33 N ATOM 1109 CA ARG A 71 -4.978 -12.797 11.266 1.00 41.45 C ATOM 1110 C ARG A 71 -4.257 -14.071 11.696 1.00 13.21 C ATOM 1111 O ARG A 71 -4.756 -15.177 11.489 1.00 44.41 O ATOM 1112 CB ARG A 71 -4.644 -12.477 9.807 1.00 31.21 C ATOM 1113 CG ARG A 71 -3.152 -12.391 9.528 1.00 34.35 C ATOM 1114 CD ARG A 71 -2.864 -12.388 8.035 1.00 1.34 C ATOM 1115 NE ARG A 71 -2.439 -11.073 7.563 1.00 2.33 N ATOM 1116 CZ ARG A 71 -3.283 -10.102 7.233 1.00 75.11 C ATOM 1117 NH1 ARG A 71 -4.592 -10.298 7.323 1.00 23.02 N ATOM 1118 NH2 ARG A 71 -2.820 -8.932 6.812 1.00 61.43 N ATOM 0 H ARG A 71 -4.175 -10.895 11.637 1.00 34.33 H new ATOM 0 HA ARG A 71 -6.052 -12.959 11.360 1.00 41.45 H new ATOM 0 HB2 ARG A 71 -5.081 -13.243 9.167 1.00 31.21 H new ATOM 0 HB3 ARG A 71 -5.111 -11.530 9.536 1.00 31.21 H new ATOM 0 HG2 ARG A 71 -2.748 -11.485 9.979 1.00 34.35 H new ATOM 0 HG3 ARG A 71 -2.644 -13.234 9.996 1.00 34.35 H new ATOM 0 HD2 ARG A 71 -2.088 -13.121 7.814 1.00 1.34 H new ATOM 0 HD3 ARG A 71 -3.758 -12.697 7.493 1.00 1.34 H new ATOM 0 HE ARG A 71 -1.439 -10.890 7.482 1.00 2.33 H new ATOM 0 HH11 ARG A 71 -4.952 -11.196 7.646 1.00 23.02 H new ATOM 0 HH12 ARG A 71 -5.238 -9.551 7.069 1.00 23.02 H new ATOM 0 HH21 ARG A 71 -1.814 -8.777 6.741 1.00 61.43 H new ATOM 0 HH22 ARG A 71 -3.470 -8.188 6.559 1.00 61.43 H new ATOM 1132 N GLU A 72 -3.082 -13.906 12.296 1.00 72.34 N ATOM 1133 CA GLU A 72 -2.293 -15.044 12.754 1.00 53.13 C ATOM 1134 C GLU A 72 -3.021 -15.800 13.861 1.00 75.51 C ATOM 1135 O GLU A 72 -3.292 -16.995 13.738 1.00 31.33 O ATOM 1136 CB GLU A 72 -0.926 -14.576 13.255 1.00 3.53 C ATOM 1137 CG GLU A 72 0.033 -15.714 13.560 1.00 3.12 C ATOM 1138 CD GLU A 72 1.075 -15.337 14.595 1.00 24.44 C ATOM 1139 OE1 GLU A 72 2.027 -14.610 14.243 1.00 63.43 O ATOM 1140 OE2 GLU A 72 0.938 -15.770 15.759 1.00 62.20 O ATOM 0 H GLU A 72 -2.656 -12.997 12.476 1.00 72.34 H new ATOM 0 HA GLU A 72 -2.151 -15.719 11.910 1.00 53.13 H new ATOM 0 HB2 GLU A 72 -0.477 -13.925 12.505 1.00 3.53 H new ATOM 0 HB3 GLU A 72 -1.064 -13.977 14.155 1.00 3.53 H new ATOM 0 HG2 GLU A 72 -0.532 -16.575 13.916 1.00 3.12 H new ATOM 0 HG3 GLU A 72 0.533 -16.019 12.641 1.00 3.12 H new ATOM 1147 N LYS A 73 -3.336 -15.096 14.943 1.00 62.12 N ATOM 1148 CA LYS A 73 -4.033 -15.698 16.073 1.00 70.52 C ATOM 1149 C LYS A 73 -5.422 -16.177 15.663 1.00 52.33 C ATOM 1150 O LYS A 73 -5.987 -17.079 16.281 1.00 24.42 O ATOM 1151 CB LYS A 73 -4.146 -14.695 17.222 1.00 13.25 C ATOM 1152 CG LYS A 73 -4.100 -15.338 18.598 1.00 55.32 C ATOM 1153 CD LYS A 73 -4.952 -14.575 19.599 1.00 51.24 C ATOM 1154 CE LYS A 73 -4.093 -13.859 20.630 1.00 53.33 C ATOM 1155 NZ LYS A 73 -4.917 -13.246 21.708 1.00 10.42 N ATOM 0 H LYS A 73 -3.119 -14.106 15.061 1.00 62.12 H new ATOM 0 HA LYS A 73 -3.455 -16.560 16.407 1.00 70.52 H new ATOM 0 HB2 LYS A 73 -3.336 -13.970 17.142 1.00 13.25 H new ATOM 0 HB3 LYS A 73 -5.080 -14.142 17.120 1.00 13.25 H new ATOM 0 HG2 LYS A 73 -4.450 -16.368 18.531 1.00 55.32 H new ATOM 0 HG3 LYS A 73 -3.069 -15.374 18.949 1.00 55.32 H new ATOM 0 HD2 LYS A 73 -5.571 -13.849 19.072 1.00 51.24 H new ATOM 0 HD3 LYS A 73 -5.628 -15.265 20.103 1.00 51.24 H new ATOM 0 HE2 LYS A 73 -3.388 -14.565 21.069 1.00 53.33 H new ATOM 0 HE3 LYS A 73 -3.504 -13.085 20.138 1.00 53.33 H new ATOM 0 HZ1 LYS A 73 -4.295 -12.768 22.391 1.00 10.42 H new ATOM 0 HZ2 LYS A 73 -5.573 -12.554 21.293 1.00 10.42 H new ATOM 0 HZ3 LYS A 73 -5.460 -13.988 22.195 1.00 10.42 H new ATOM 1169 N PHE A 74 -5.968 -15.567 14.615 1.00 3.04 N ATOM 1170 CA PHE A 74 -7.291 -15.931 14.122 1.00 21.25 C ATOM 1171 C PHE A 74 -7.209 -17.128 13.179 1.00 35.05 C ATOM 1172 O PHE A 74 -8.191 -17.841 12.977 1.00 35.05 O ATOM 1173 CB PHE A 74 -7.935 -14.744 13.404 1.00 71.04 C ATOM 1174 CG PHE A 74 -9.429 -14.849 13.294 1.00 54.03 C ATOM 1175 CD1 PHE A 74 -10.013 -15.531 12.238 1.00 35.04 C ATOM 1176 CD2 PHE A 74 -10.250 -14.266 14.246 1.00 70.02 C ATOM 1177 CE1 PHE A 74 -11.388 -15.628 12.135 1.00 72.34 C ATOM 1178 CE2 PHE A 74 -11.626 -14.360 14.147 1.00 25.45 C ATOM 1179 CZ PHE A 74 -12.195 -15.043 13.091 1.00 72.41 C ATOM 0 H PHE A 74 -5.514 -14.819 14.091 1.00 3.04 H new ATOM 0 HA PHE A 74 -7.908 -16.207 14.978 1.00 21.25 H new ATOM 0 HB2 PHE A 74 -7.681 -13.827 13.936 1.00 71.04 H new ATOM 0 HB3 PHE A 74 -7.510 -14.661 12.404 1.00 71.04 H new ATOM 0 HD1 PHE A 74 -9.387 -15.991 11.488 1.00 35.04 H new ATOM 0 HD2 PHE A 74 -9.810 -13.732 15.075 1.00 70.02 H new ATOM 0 HE1 PHE A 74 -11.831 -16.161 11.307 1.00 72.34 H new ATOM 0 HE2 PHE A 74 -12.255 -13.900 14.895 1.00 25.45 H new ATOM 0 HZ PHE A 74 -13.269 -15.120 13.012 1.00 72.41 H new ATOM 1189 N GLY A 75 -6.030 -17.341 12.604 1.00 70.42 N ATOM 1190 CA GLY A 75 -5.841 -18.452 11.688 1.00 13.44 C ATOM 1191 C GLY A 75 -5.704 -17.999 10.248 1.00 2.24 C ATOM 1192 O GLY A 75 -5.979 -16.843 9.925 1.00 62.41 O ATOM 0 H GLY A 75 -5.202 -16.765 12.755 1.00 70.42 H new ATOM 0 HA2 GLY A 75 -4.950 -19.009 11.977 1.00 13.44 H new ATOM 0 HA3 GLY A 75 -6.686 -19.136 11.772 1.00 13.44 H new ATOM 1196 N SER A 76 -5.275 -18.911 9.381 1.00 13.53 N ATOM 1197 CA SER A 76 -5.096 -18.597 7.968 1.00 32.14 C ATOM 1198 C SER A 76 -6.277 -19.105 7.146 1.00 45.54 C ATOM 1199 O SER A 76 -6.800 -20.191 7.394 1.00 3.44 O ATOM 1200 CB SER A 76 -3.796 -19.212 7.449 1.00 65.43 C ATOM 1201 OG SER A 76 -3.894 -19.523 6.070 1.00 62.34 O ATOM 0 H SER A 76 -5.045 -19.873 9.632 1.00 13.53 H new ATOM 0 HA SER A 76 -5.043 -17.513 7.865 1.00 32.14 H new ATOM 0 HB2 SER A 76 -2.972 -18.518 7.611 1.00 65.43 H new ATOM 0 HB3 SER A 76 -3.567 -20.116 8.013 1.00 65.43 H new ATOM 0 HG SER A 76 -3.785 -18.705 5.542 1.00 62.34 H new ATOM 1207 N SER A 77 -6.691 -18.310 6.164 1.00 43.30 N ATOM 1208 CA SER A 77 -7.812 -18.675 5.306 1.00 64.31 C ATOM 1209 C SER A 77 -7.595 -18.167 3.884 1.00 71.54 C ATOM 1210 O SER A 77 -6.769 -17.286 3.645 1.00 13.11 O ATOM 1211 CB SER A 77 -9.117 -18.110 5.868 1.00 13.11 C ATOM 1212 OG SER A 77 -9.225 -16.721 5.609 1.00 2.22 O ATOM 0 H SER A 77 -6.267 -17.409 5.943 1.00 43.30 H new ATOM 0 HA SER A 77 -7.878 -19.763 5.279 1.00 64.31 H new ATOM 0 HB2 SER A 77 -9.964 -18.633 5.424 1.00 13.11 H new ATOM 0 HB3 SER A 77 -9.161 -18.287 6.943 1.00 13.11 H new ATOM 0 HG SER A 77 -10.164 -16.448 5.677 1.00 2.22 H new ATOM 1218 N LYS A 78 -8.343 -18.730 2.941 1.00 72.51 N ATOM 1219 CA LYS A 78 -8.236 -18.336 1.541 1.00 32.03 C ATOM 1220 C LYS A 78 -8.494 -16.842 1.376 1.00 52.21 C ATOM 1221 O LYS A 78 -7.821 -16.170 0.596 1.00 43.43 O ATOM 1222 CB LYS A 78 -9.226 -19.133 0.688 1.00 10.23 C ATOM 1223 CG LYS A 78 -8.568 -19.920 -0.431 1.00 63.51 C ATOM 1224 CD LYS A 78 -9.583 -20.743 -1.206 1.00 73.20 C ATOM 1225 CE LYS A 78 -9.447 -20.529 -2.706 1.00 4.13 C ATOM 1226 NZ LYS A 78 -9.915 -19.177 -3.118 1.00 4.44 N ATOM 0 H LYS A 78 -9.031 -19.461 3.121 1.00 72.51 H new ATOM 0 HA LYS A 78 -7.222 -18.551 1.205 1.00 32.03 H new ATOM 0 HB2 LYS A 78 -9.775 -19.821 1.331 1.00 10.23 H new ATOM 0 HB3 LYS A 78 -9.956 -18.447 0.258 1.00 10.23 H new ATOM 0 HG2 LYS A 78 -8.060 -19.234 -1.109 1.00 63.51 H new ATOM 0 HG3 LYS A 78 -7.806 -20.579 -0.014 1.00 63.51 H new ATOM 0 HD2 LYS A 78 -9.449 -21.800 -0.975 1.00 73.20 H new ATOM 0 HD3 LYS A 78 -10.590 -20.473 -0.889 1.00 73.20 H new ATOM 0 HE2 LYS A 78 -8.405 -20.657 -2.998 1.00 4.13 H new ATOM 0 HE3 LYS A 78 -10.022 -21.289 -3.235 1.00 4.13 H new ATOM 0 HZ1 LYS A 78 -9.886 -19.101 -4.155 1.00 4.44 H new ATOM 0 HZ2 LYS A 78 -10.890 -19.032 -2.787 1.00 4.44 H new ATOM 0 HZ3 LYS A 78 -9.296 -18.453 -2.700 1.00 4.44 H new ATOM 1240 N GLU A 79 -9.472 -16.329 2.116 1.00 33.11 N ATOM 1241 CA GLU A 79 -9.817 -14.914 2.051 1.00 54.14 C ATOM 1242 C GLU A 79 -8.722 -14.057 2.679 1.00 32.13 C ATOM 1243 O GLU A 79 -8.103 -13.232 2.007 1.00 1.24 O ATOM 1244 CB GLU A 79 -11.150 -14.658 2.758 1.00 3.21 C ATOM 1245 CG GLU A 79 -12.190 -13.992 1.874 1.00 54.13 C ATOM 1246 CD GLU A 79 -13.365 -13.448 2.663 1.00 0.43 C ATOM 1247 OE1 GLU A 79 -13.134 -12.658 3.602 1.00 13.25 O ATOM 1248 OE2 GLU A 79 -14.515 -13.812 2.341 1.00 14.21 O ATOM 0 H GLU A 79 -10.039 -16.872 2.767 1.00 33.11 H new ATOM 0 HA GLU A 79 -9.912 -14.638 1.001 1.00 54.14 H new ATOM 0 HB2 GLU A 79 -11.547 -15.606 3.121 1.00 3.21 H new ATOM 0 HB3 GLU A 79 -10.973 -14.031 3.632 1.00 3.21 H new ATOM 0 HG2 GLU A 79 -11.722 -13.179 1.319 1.00 54.13 H new ATOM 0 HG3 GLU A 79 -12.552 -14.712 1.140 1.00 54.13 H new ATOM 1255 N ILE A 80 -8.490 -14.259 3.972 1.00 70.31 N ATOM 1256 CA ILE A 80 -7.470 -13.506 4.691 1.00 30.31 C ATOM 1257 C ILE A 80 -6.130 -13.563 3.965 1.00 55.35 C ATOM 1258 O ILE A 80 -5.395 -12.577 3.920 1.00 4.35 O ATOM 1259 CB ILE A 80 -7.286 -14.036 6.125 1.00 21.15 C ATOM 1260 CG1 ILE A 80 -8.609 -13.970 6.891 1.00 74.35 C ATOM 1261 CG2 ILE A 80 -6.209 -13.242 6.849 1.00 13.54 C ATOM 1262 CD1 ILE A 80 -8.552 -14.624 8.254 1.00 55.34 C ATOM 0 H ILE A 80 -8.994 -14.937 4.543 1.00 70.31 H new ATOM 0 HA ILE A 80 -7.813 -12.472 4.735 1.00 30.31 H new ATOM 0 HB ILE A 80 -6.970 -15.078 6.073 1.00 21.15 H new ATOM 0 HG12 ILE A 80 -8.899 -12.926 7.010 1.00 74.35 H new ATOM 0 HG13 ILE A 80 -9.387 -14.451 6.298 1.00 74.35 H new ATOM 0 HG21 ILE A 80 -6.091 -13.628 7.861 1.00 13.54 H new ATOM 0 HG22 ILE A 80 -5.265 -13.336 6.312 1.00 13.54 H new ATOM 0 HG23 ILE A 80 -6.499 -12.192 6.893 1.00 13.54 H new ATOM 0 HD11 ILE A 80 -9.524 -14.539 8.739 1.00 55.34 H new ATOM 0 HD12 ILE A 80 -8.293 -15.677 8.142 1.00 55.34 H new ATOM 0 HD13 ILE A 80 -7.797 -14.128 8.864 1.00 55.34 H new ATOM 1274 N ASP A 81 -5.821 -14.722 3.395 1.00 74.15 N ATOM 1275 CA ASP A 81 -4.571 -14.907 2.667 1.00 54.15 C ATOM 1276 C ASP A 81 -4.491 -13.957 1.475 1.00 24.15 C ATOM 1277 O ASP A 81 -3.525 -13.208 1.331 1.00 60.20 O ATOM 1278 CB ASP A 81 -4.443 -16.355 2.190 1.00 53.41 C ATOM 1279 CG ASP A 81 -3.936 -17.280 3.279 1.00 52.25 C ATOM 1280 OD1 ASP A 81 -3.606 -16.781 4.375 1.00 21.31 O ATOM 1281 OD2 ASP A 81 -3.870 -18.503 3.034 1.00 14.53 O ATOM 0 H ASP A 81 -6.419 -15.548 3.423 1.00 74.15 H new ATOM 0 HA ASP A 81 -3.748 -14.682 3.345 1.00 54.15 H new ATOM 0 HB2 ASP A 81 -5.414 -16.707 1.841 1.00 53.41 H new ATOM 0 HB3 ASP A 81 -3.764 -16.395 1.338 1.00 53.41 H new ATOM 1286 N MET A 82 -5.511 -13.995 0.625 1.00 41.03 N ATOM 1287 CA MET A 82 -5.555 -13.137 -0.554 1.00 21.31 C ATOM 1288 C MET A 82 -5.480 -11.666 -0.159 1.00 12.15 C ATOM 1289 O MET A 82 -5.035 -10.826 -0.940 1.00 3.35 O ATOM 1290 CB MET A 82 -6.833 -13.398 -1.354 1.00 22.34 C ATOM 1291 CG MET A 82 -6.625 -14.314 -2.549 1.00 51.43 C ATOM 1292 SD MET A 82 -7.377 -13.669 -4.056 1.00 62.21 S ATOM 1293 CE MET A 82 -9.113 -13.721 -3.618 1.00 24.25 C ATOM 0 H MET A 82 -6.318 -14.610 0.730 1.00 41.03 H new ATOM 0 HA MET A 82 -4.691 -13.372 -1.176 1.00 21.31 H new ATOM 0 HB2 MET A 82 -7.581 -13.838 -0.695 1.00 22.34 H new ATOM 0 HB3 MET A 82 -7.235 -12.446 -1.702 1.00 22.34 H new ATOM 0 HG2 MET A 82 -5.557 -14.455 -2.712 1.00 51.43 H new ATOM 0 HG3 MET A 82 -7.046 -15.295 -2.328 1.00 51.43 H new ATOM 0 HE1 MET A 82 -9.713 -13.402 -4.470 1.00 24.25 H new ATOM 0 HE2 MET A 82 -9.388 -14.739 -3.341 1.00 24.25 H new ATOM 0 HE3 MET A 82 -9.296 -13.054 -2.776 1.00 24.25 H new ATOM 1303 N ALA A 83 -5.919 -11.362 1.058 1.00 14.33 N ATOM 1304 CA ALA A 83 -5.900 -9.992 1.557 1.00 33.21 C ATOM 1305 C ALA A 83 -4.471 -9.501 1.759 1.00 22.42 C ATOM 1306 O ALA A 83 -4.047 -8.524 1.142 1.00 53.41 O ATOM 1307 CB ALA A 83 -6.683 -9.893 2.858 1.00 32.40 C ATOM 0 H ALA A 83 -6.292 -12.046 1.717 1.00 14.33 H new ATOM 0 HA ALA A 83 -6.374 -9.354 0.811 1.00 33.21 H new ATOM 0 HB1 ALA A 83 -6.660 -8.865 3.219 1.00 32.40 H new ATOM 0 HB2 ALA A 83 -7.716 -10.194 2.685 1.00 32.40 H new ATOM 0 HB3 ALA A 83 -6.234 -10.549 3.604 1.00 32.40 H new ATOM 1313 N ILE A 84 -3.733 -10.185 2.627 1.00 64.10 N ATOM 1314 CA ILE A 84 -2.350 -9.818 2.909 1.00 35.03 C ATOM 1315 C ILE A 84 -1.511 -9.818 1.637 1.00 63.05 C ATOM 1316 O ILE A 84 -0.572 -9.033 1.499 1.00 30.41 O ATOM 1317 CB ILE A 84 -1.712 -10.775 3.933 1.00 65.44 C ATOM 1318 CG1 ILE A 84 -0.243 -10.411 4.157 1.00 44.41 C ATOM 1319 CG2 ILE A 84 -1.839 -12.216 3.461 1.00 31.32 C ATOM 1320 CD1 ILE A 84 0.182 -10.480 5.607 1.00 4.50 C ATOM 0 H ILE A 84 -4.069 -10.996 3.147 1.00 64.10 H new ATOM 0 HA ILE A 84 -2.369 -8.812 3.328 1.00 35.03 H new ATOM 0 HB ILE A 84 -2.241 -10.675 4.881 1.00 65.44 H new ATOM 0 HG12 ILE A 84 0.383 -11.084 3.571 1.00 44.41 H new ATOM 0 HG13 ILE A 84 -0.066 -9.403 3.782 1.00 44.41 H new ATOM 0 HG21 ILE A 84 -1.384 -12.881 4.195 1.00 31.32 H new ATOM 0 HG22 ILE A 84 -2.893 -12.470 3.346 1.00 31.32 H new ATOM 0 HG23 ILE A 84 -1.332 -12.331 2.503 1.00 31.32 H new ATOM 0 HD11 ILE A 84 1.235 -10.210 5.691 1.00 4.50 H new ATOM 0 HD12 ILE A 84 -0.419 -9.787 6.196 1.00 4.50 H new ATOM 0 HD13 ILE A 84 0.037 -11.494 5.981 1.00 4.50 H new ATOM 1332 N VAL A 85 -1.856 -10.703 0.706 1.00 2.33 N ATOM 1333 CA VAL A 85 -1.136 -10.803 -0.558 1.00 22.45 C ATOM 1334 C VAL A 85 -1.276 -9.523 -1.373 1.00 45.11 C ATOM 1335 O VAL A 85 -0.289 -8.980 -1.872 1.00 72.24 O ATOM 1336 CB VAL A 85 -1.640 -11.992 -1.398 1.00 12.33 C ATOM 1337 CG1 VAL A 85 -0.947 -12.021 -2.751 1.00 61.32 C ATOM 1338 CG2 VAL A 85 -1.427 -13.300 -0.651 1.00 42.03 C ATOM 0 H VAL A 85 -2.630 -11.361 0.804 1.00 2.33 H new ATOM 0 HA VAL A 85 -0.086 -10.960 -0.313 1.00 22.45 H new ATOM 0 HB VAL A 85 -2.710 -11.868 -1.568 1.00 12.33 H new ATOM 0 HG11 VAL A 85 -1.316 -12.867 -3.330 1.00 61.32 H new ATOM 0 HG12 VAL A 85 -1.157 -11.095 -3.287 1.00 61.32 H new ATOM 0 HG13 VAL A 85 0.129 -12.121 -2.607 1.00 61.32 H new ATOM 0 HG21 VAL A 85 -1.789 -14.129 -1.259 1.00 42.03 H new ATOM 0 HG22 VAL A 85 -0.364 -13.435 -0.449 1.00 42.03 H new ATOM 0 HG23 VAL A 85 -1.975 -13.275 0.291 1.00 42.03 H new ATOM 1348 N THR A 86 -2.508 -9.043 -1.505 1.00 14.04 N ATOM 1349 CA THR A 86 -2.778 -7.826 -2.260 1.00 74.30 C ATOM 1350 C THR A 86 -2.046 -6.632 -1.659 1.00 14.12 C ATOM 1351 O THR A 86 -1.415 -5.853 -2.375 1.00 15.25 O ATOM 1352 CB THR A 86 -4.287 -7.518 -2.308 1.00 62.15 C ATOM 1353 OG1 THR A 86 -4.770 -7.228 -0.992 1.00 71.01 O ATOM 1354 CG2 THR A 86 -5.060 -8.691 -2.891 1.00 74.30 C ATOM 0 H THR A 86 -3.336 -9.479 -1.098 1.00 14.04 H new ATOM 0 HA THR A 86 -2.417 -7.997 -3.274 1.00 74.30 H new ATOM 0 HB THR A 86 -4.438 -6.649 -2.949 1.00 62.15 H new ATOM 0 HG1 THR A 86 -4.531 -7.961 -0.387 1.00 71.01 H new ATOM 0 HG21 THR A 86 -6.123 -8.450 -2.915 1.00 74.30 H new ATOM 0 HG22 THR A 86 -4.710 -8.890 -3.904 1.00 74.30 H new ATOM 0 HG23 THR A 86 -4.902 -9.574 -2.272 1.00 74.30 H new ATOM 1362 N LEU A 87 -2.133 -6.493 -0.341 1.00 33.35 N ATOM 1363 CA LEU A 87 -1.478 -5.393 0.358 1.00 42.01 C ATOM 1364 C LEU A 87 0.031 -5.428 0.134 1.00 54.50 C ATOM 1365 O LEU A 87 0.682 -4.386 0.057 1.00 51.44 O ATOM 1366 CB LEU A 87 -1.784 -5.459 1.855 1.00 12.32 C ATOM 1367 CG LEU A 87 -2.870 -4.508 2.360 1.00 1.24 C ATOM 1368 CD1 LEU A 87 -3.087 -4.691 3.854 1.00 21.15 C ATOM 1369 CD2 LEU A 87 -2.504 -3.065 2.046 1.00 45.31 C ATOM 0 H LEU A 87 -2.651 -7.129 0.266 1.00 33.35 H new ATOM 0 HA LEU A 87 -1.866 -4.457 -0.045 1.00 42.01 H new ATOM 0 HB2 LEU A 87 -2.079 -6.479 2.101 1.00 12.32 H new ATOM 0 HB3 LEU A 87 -0.865 -5.253 2.403 1.00 12.32 H new ATOM 0 HG LEU A 87 -3.801 -4.746 1.846 1.00 1.24 H new ATOM 0 HD11 LEU A 87 -3.863 -4.006 4.196 1.00 21.15 H new ATOM 0 HD12 LEU A 87 -3.395 -5.717 4.054 1.00 21.15 H new ATOM 0 HD13 LEU A 87 -2.159 -4.481 4.385 1.00 21.15 H new ATOM 0 HD21 LEU A 87 -3.288 -2.403 2.413 1.00 45.31 H new ATOM 0 HD22 LEU A 87 -1.561 -2.815 2.532 1.00 45.31 H new ATOM 0 HD23 LEU A 87 -2.400 -2.942 0.968 1.00 45.31 H new ATOM 1381 N LYS A 88 0.580 -6.633 0.029 1.00 44.55 N ATOM 1382 CA LYS A 88 2.012 -6.805 -0.190 1.00 54.44 C ATOM 1383 C LYS A 88 2.394 -6.420 -1.616 1.00 1.41 C ATOM 1384 O LYS A 88 3.135 -5.460 -1.833 1.00 74.41 O ATOM 1385 CB LYS A 88 2.420 -8.253 0.085 1.00 60.51 C ATOM 1386 CG LYS A 88 3.003 -8.468 1.471 1.00 71.30 C ATOM 1387 CD LYS A 88 2.548 -9.789 2.069 1.00 71.13 C ATOM 1388 CE LYS A 88 3.319 -10.122 3.337 1.00 63.35 C ATOM 1389 NZ LYS A 88 3.233 -11.570 3.674 1.00 35.03 N ATOM 0 H LYS A 88 0.055 -7.505 0.092 1.00 44.55 H new ATOM 0 HA LYS A 88 2.542 -6.148 0.500 1.00 54.44 H new ATOM 0 HB2 LYS A 88 1.549 -8.897 -0.037 1.00 60.51 H new ATOM 0 HB3 LYS A 88 3.153 -8.563 -0.660 1.00 60.51 H new ATOM 0 HG2 LYS A 88 4.091 -8.448 1.416 1.00 71.30 H new ATOM 0 HG3 LYS A 88 2.702 -7.649 2.124 1.00 71.30 H new ATOM 0 HD2 LYS A 88 1.482 -9.741 2.292 1.00 71.13 H new ATOM 0 HD3 LYS A 88 2.685 -10.587 1.339 1.00 71.13 H new ATOM 0 HE2 LYS A 88 4.364 -9.840 3.211 1.00 63.35 H new ATOM 0 HE3 LYS A 88 2.927 -9.532 4.166 1.00 63.35 H new ATOM 0 HZ1 LYS A 88 2.956 -11.679 4.670 1.00 35.03 H new ATOM 0 HZ2 LYS A 88 2.524 -12.027 3.066 1.00 35.03 H new ATOM 0 HZ3 LYS A 88 4.159 -12.018 3.522 1.00 35.03 H new ATOM 1403 N VAL A 89 1.884 -7.173 -2.585 1.00 15.11 N ATOM 1404 CA VAL A 89 2.170 -6.909 -3.990 1.00 13.31 C ATOM 1405 C VAL A 89 1.883 -5.454 -4.345 1.00 23.00 C ATOM 1406 O VAL A 89 2.533 -4.877 -5.217 1.00 3.01 O ATOM 1407 CB VAL A 89 1.343 -7.823 -4.913 1.00 35.43 C ATOM 1408 CG1 VAL A 89 -0.138 -7.490 -4.808 1.00 42.31 C ATOM 1409 CG2 VAL A 89 1.824 -7.704 -6.351 1.00 20.22 C ATOM 0 H VAL A 89 1.270 -7.971 -2.423 1.00 15.11 H new ATOM 0 HA VAL A 89 3.230 -7.115 -4.141 1.00 13.31 H new ATOM 0 HB VAL A 89 1.482 -8.855 -4.592 1.00 35.43 H new ATOM 0 HG11 VAL A 89 -0.706 -8.146 -5.467 1.00 42.31 H new ATOM 0 HG12 VAL A 89 -0.471 -7.632 -3.780 1.00 42.31 H new ATOM 0 HG13 VAL A 89 -0.299 -6.453 -5.101 1.00 42.31 H new ATOM 0 HG21 VAL A 89 1.228 -8.357 -6.989 1.00 20.22 H new ATOM 0 HG22 VAL A 89 1.717 -6.672 -6.686 1.00 20.22 H new ATOM 0 HG23 VAL A 89 2.872 -7.997 -6.410 1.00 20.22 H new ATOM 1419 N PHE A 90 0.906 -4.866 -3.663 1.00 40.32 N ATOM 1420 CA PHE A 90 0.532 -3.477 -3.907 1.00 25.33 C ATOM 1421 C PHE A 90 1.617 -2.527 -3.408 1.00 40.21 C ATOM 1422 O PHE A 90 2.019 -1.602 -4.113 1.00 61.15 O ATOM 1423 CB PHE A 90 -0.797 -3.157 -3.221 1.00 11.24 C ATOM 1424 CG PHE A 90 -1.136 -1.694 -3.224 1.00 11.40 C ATOM 1425 CD1 PHE A 90 -1.002 -0.941 -4.379 1.00 51.34 C ATOM 1426 CD2 PHE A 90 -1.589 -1.071 -2.072 1.00 31.20 C ATOM 1427 CE1 PHE A 90 -1.313 0.406 -4.385 1.00 4.12 C ATOM 1428 CE2 PHE A 90 -1.902 0.275 -2.072 1.00 4.25 C ATOM 1429 CZ PHE A 90 -1.764 1.015 -3.230 1.00 30.51 C ATOM 0 H PHE A 90 0.359 -5.329 -2.937 1.00 40.32 H new ATOM 0 HA PHE A 90 0.420 -3.340 -4.982 1.00 25.33 H new ATOM 0 HB2 PHE A 90 -1.595 -3.708 -3.718 1.00 11.24 H new ATOM 0 HB3 PHE A 90 -0.759 -3.511 -2.191 1.00 11.24 H new ATOM 0 HD1 PHE A 90 -0.651 -1.412 -5.285 1.00 51.34 H new ATOM 0 HD2 PHE A 90 -1.699 -1.644 -1.163 1.00 31.20 H new ATOM 0 HE1 PHE A 90 -1.203 0.982 -5.292 1.00 4.12 H new ATOM 0 HE2 PHE A 90 -2.254 0.748 -1.167 1.00 4.25 H new ATOM 0 HZ PHE A 90 -2.008 2.067 -3.233 1.00 30.51 H new ATOM 1439 N ALA A 91 2.086 -2.762 -2.187 1.00 15.22 N ATOM 1440 CA ALA A 91 3.124 -1.928 -1.594 1.00 30.55 C ATOM 1441 C ALA A 91 4.454 -2.110 -2.318 1.00 13.34 C ATOM 1442 O ALA A 91 5.212 -1.156 -2.493 1.00 54.43 O ATOM 1443 CB ALA A 91 3.278 -2.250 -0.114 1.00 60.34 C ATOM 0 H ALA A 91 1.764 -3.523 -1.589 1.00 15.22 H new ATOM 0 HA ALA A 91 2.823 -0.886 -1.699 1.00 30.55 H new ATOM 0 HB1 ALA A 91 4.056 -1.620 0.316 1.00 60.34 H new ATOM 0 HB2 ALA A 91 2.335 -2.063 0.399 1.00 60.34 H new ATOM 0 HB3 ALA A 91 3.553 -3.298 0.004 1.00 60.34 H new ATOM 1449 N VAL A 92 4.732 -3.341 -2.736 1.00 13.43 N ATOM 1450 CA VAL A 92 5.970 -3.647 -3.441 1.00 43.23 C ATOM 1451 C VAL A 92 5.911 -3.171 -4.888 1.00 54.53 C ATOM 1452 O VAL A 92 6.670 -2.292 -5.295 1.00 12.51 O ATOM 1453 CB VAL A 92 6.269 -5.158 -3.422 1.00 14.24 C ATOM 1454 CG1 VAL A 92 7.652 -5.437 -3.990 1.00 13.40 C ATOM 1455 CG2 VAL A 92 6.143 -5.707 -2.008 1.00 43.24 C ATOM 0 H VAL A 92 4.116 -4.142 -2.598 1.00 13.43 H new ATOM 0 HA VAL A 92 6.769 -3.119 -2.920 1.00 43.23 H new ATOM 0 HB VAL A 92 5.537 -5.664 -4.051 1.00 14.24 H new ATOM 0 HG11 VAL A 92 7.845 -6.510 -3.968 1.00 13.40 H new ATOM 0 HG12 VAL A 92 7.702 -5.080 -5.019 1.00 13.40 H new ATOM 0 HG13 VAL A 92 8.402 -4.921 -3.391 1.00 13.40 H new ATOM 0 HG21 VAL A 92 6.357 -6.776 -2.012 1.00 43.24 H new ATOM 0 HG22 VAL A 92 6.852 -5.197 -1.355 1.00 43.24 H new ATOM 0 HG23 VAL A 92 5.129 -5.542 -1.642 1.00 43.24 H new ATOM 1465 N ALA A 93 5.002 -3.757 -5.661 1.00 44.24 N ATOM 1466 CA ALA A 93 4.841 -3.391 -7.063 1.00 45.41 C ATOM 1467 C ALA A 93 4.411 -1.934 -7.204 1.00 61.51 C ATOM 1468 O ALA A 93 4.512 -1.349 -8.281 1.00 51.33 O ATOM 1469 CB ALA A 93 3.832 -4.309 -7.736 1.00 0.11 C ATOM 0 H ALA A 93 4.366 -4.487 -5.340 1.00 44.24 H new ATOM 0 HA ALA A 93 5.806 -3.507 -7.556 1.00 45.41 H new ATOM 0 HB1 ALA A 93 3.722 -4.024 -8.782 1.00 0.11 H new ATOM 0 HB2 ALA A 93 4.181 -5.340 -7.676 1.00 0.11 H new ATOM 0 HB3 ALA A 93 2.869 -4.222 -7.233 1.00 0.11 H new ATOM 1475 N GLY A 94 3.930 -1.355 -6.108 1.00 73.42 N ATOM 1476 CA GLY A 94 3.490 0.027 -6.132 1.00 3.51 C ATOM 1477 C GLY A 94 4.562 0.985 -5.650 1.00 21.22 C ATOM 1478 O GLY A 94 5.146 1.725 -6.442 1.00 52.34 O ATOM 0 H GLY A 94 3.837 -1.819 -5.204 1.00 73.42 H new ATOM 0 HA2 GLY A 94 3.198 0.295 -7.147 1.00 3.51 H new ATOM 0 HA3 GLY A 94 2.604 0.134 -5.507 1.00 3.51 H new ATOM 1482 N LEU A 95 4.822 0.972 -4.347 1.00 54.30 N ATOM 1483 CA LEU A 95 5.830 1.848 -3.759 1.00 71.43 C ATOM 1484 C LEU A 95 7.205 1.575 -4.361 1.00 52.30 C ATOM 1485 O LEU A 95 7.931 2.502 -4.723 1.00 13.30 O ATOM 1486 CB LEU A 95 5.878 1.657 -2.242 1.00 74.24 C ATOM 1487 CG LEU A 95 4.525 1.576 -1.533 1.00 63.02 C ATOM 1488 CD1 LEU A 95 4.718 1.448 -0.030 1.00 53.20 C ATOM 1489 CD2 LEU A 95 3.677 2.796 -1.862 1.00 72.54 C ATOM 0 H LEU A 95 4.349 0.365 -3.678 1.00 54.30 H new ATOM 0 HA LEU A 95 5.554 2.879 -3.980 1.00 71.43 H new ATOM 0 HB2 LEU A 95 6.433 0.744 -2.028 1.00 74.24 H new ATOM 0 HB3 LEU A 95 6.444 2.482 -1.810 1.00 74.24 H new ATOM 0 HG LEU A 95 4.002 0.688 -1.889 1.00 63.02 H new ATOM 0 HD11 LEU A 95 3.745 1.392 0.458 1.00 53.20 H new ATOM 0 HD12 LEU A 95 5.286 0.544 0.188 1.00 53.20 H new ATOM 0 HD13 LEU A 95 5.261 2.317 0.342 1.00 53.20 H new ATOM 0 HD21 LEU A 95 2.718 2.722 -1.349 1.00 72.54 H new ATOM 0 HD22 LEU A 95 4.194 3.698 -1.535 1.00 72.54 H new ATOM 0 HD23 LEU A 95 3.510 2.844 -2.938 1.00 72.54 H new ATOM 1501 N LEU A 96 7.556 0.299 -4.467 1.00 70.51 N ATOM 1502 CA LEU A 96 8.843 -0.097 -5.028 1.00 5.13 C ATOM 1503 C LEU A 96 8.765 -0.209 -6.547 1.00 34.12 C ATOM 1504 O LEU A 96 9.759 -0.501 -7.210 1.00 32.22 O ATOM 1505 CB LEU A 96 9.295 -1.430 -4.429 1.00 73.31 C ATOM 1506 CG LEU A 96 10.776 -1.535 -4.063 1.00 54.11 C ATOM 1507 CD1 LEU A 96 10.953 -2.325 -2.776 1.00 13.44 C ATOM 1508 CD2 LEU A 96 11.561 -2.177 -5.197 1.00 43.12 C ATOM 0 H LEU A 96 6.967 -0.480 -4.172 1.00 70.51 H new ATOM 0 HA LEU A 96 9.572 0.673 -4.777 1.00 5.13 H new ATOM 0 HB2 LEU A 96 8.706 -1.621 -3.532 1.00 73.31 H new ATOM 0 HB3 LEU A 96 9.060 -2.223 -5.139 1.00 73.31 H new ATOM 0 HG LEU A 96 11.163 -0.529 -3.904 1.00 54.11 H new ATOM 0 HD11 LEU A 96 12.013 -2.389 -2.531 1.00 13.44 H new ATOM 0 HD12 LEU A 96 10.423 -1.824 -1.966 1.00 13.44 H new ATOM 0 HD13 LEU A 96 10.549 -3.329 -2.907 1.00 13.44 H new ATOM 0 HD21 LEU A 96 12.613 -2.244 -4.919 1.00 43.12 H new ATOM 0 HD22 LEU A 96 11.172 -3.177 -5.388 1.00 43.12 H new ATOM 0 HD23 LEU A 96 11.461 -1.571 -6.097 1.00 43.12 H new ATOM 1520 N ASN A 97 7.576 0.027 -7.092 1.00 15.34 N ATOM 1521 CA ASN A 97 7.367 -0.046 -8.533 1.00 42.42 C ATOM 1522 C ASN A 97 7.882 -1.369 -9.091 1.00 44.20 C ATOM 1523 O ASN A 97 8.302 -1.446 -10.246 1.00 34.05 O ATOM 1524 CB ASN A 97 8.068 1.122 -9.230 1.00 50.14 C ATOM 1525 CG ASN A 97 7.941 2.419 -8.455 1.00 22.04 C ATOM 1526 OD1 ASN A 97 6.891 3.062 -8.466 1.00 44.00 O ATOM 1527 ND2 ASN A 97 9.014 2.809 -7.776 1.00 13.33 N ATOM 0 H ASN A 97 6.742 0.271 -6.557 1.00 15.34 H new ATOM 0 HA ASN A 97 6.296 0.016 -8.724 1.00 42.42 H new ATOM 0 HB2 ASN A 97 9.123 0.882 -9.361 1.00 50.14 H new ATOM 0 HB3 ASN A 97 7.645 1.254 -10.226 1.00 50.14 H new ATOM 0 HD21 ASN A 97 8.989 3.673 -7.235 1.00 13.33 H new ATOM 0 HD22 ASN A 97 9.863 2.244 -7.796 1.00 13.33 H new ATOM 1534 N MET A 98 7.847 -2.408 -8.263 1.00 2.41 N ATOM 1535 CA MET A 98 8.309 -3.728 -8.674 1.00 71.42 C ATOM 1536 C MET A 98 7.567 -4.200 -9.921 1.00 2.30 C ATOM 1537 O MET A 98 6.548 -3.624 -10.305 1.00 65.02 O ATOM 1538 CB MET A 98 8.115 -4.736 -7.540 1.00 31.24 C ATOM 1539 CG MET A 98 9.414 -5.346 -7.039 1.00 45.25 C ATOM 1540 SD MET A 98 9.850 -6.863 -7.910 1.00 61.42 S ATOM 1541 CE MET A 98 11.470 -6.437 -8.544 1.00 23.24 C ATOM 0 H MET A 98 7.504 -2.361 -7.304 1.00 2.41 H new ATOM 0 HA MET A 98 9.371 -3.656 -8.909 1.00 71.42 H new ATOM 0 HB2 MET A 98 7.611 -4.243 -6.709 1.00 31.24 H new ATOM 0 HB3 MET A 98 7.457 -5.534 -7.883 1.00 31.24 H new ATOM 0 HG2 MET A 98 10.220 -4.621 -7.154 1.00 45.25 H new ATOM 0 HG3 MET A 98 9.325 -5.556 -5.973 1.00 45.25 H new ATOM 0 HE1 MET A 98 11.873 -7.278 -9.108 1.00 23.24 H new ATOM 0 HE2 MET A 98 11.388 -5.568 -9.197 1.00 23.24 H new ATOM 0 HE3 MET A 98 12.136 -6.205 -7.713 1.00 23.24 H new ATOM 1551 N THR A 99 8.084 -5.250 -10.550 1.00 63.53 N ATOM 1552 CA THR A 99 7.472 -5.798 -11.754 1.00 50.22 C ATOM 1553 C THR A 99 7.125 -7.271 -11.574 1.00 24.34 C ATOM 1554 O THR A 99 7.431 -8.101 -12.430 1.00 51.23 O ATOM 1555 CB THR A 99 8.399 -5.646 -12.975 1.00 22.22 C ATOM 1556 OG1 THR A 99 7.764 -6.180 -14.142 1.00 11.41 O ATOM 1557 CG2 THR A 99 9.723 -6.359 -12.741 1.00 34.00 C ATOM 0 H THR A 99 8.926 -5.739 -10.245 1.00 63.53 H new ATOM 0 HA THR A 99 6.557 -5.231 -11.929 1.00 50.22 H new ATOM 0 HB THR A 99 8.597 -4.584 -13.123 1.00 22.22 H new ATOM 0 HG1 THR A 99 7.498 -7.108 -13.974 1.00 11.41 H new ATOM 0 HG21 THR A 99 10.361 -6.238 -13.616 1.00 34.00 H new ATOM 0 HG22 THR A 99 10.218 -5.931 -11.869 1.00 34.00 H new ATOM 0 HG23 THR A 99 9.540 -7.420 -12.570 1.00 34.00 H new ATOM 1565 N VAL A 100 6.485 -7.591 -10.453 1.00 52.25 N ATOM 1566 CA VAL A 100 6.095 -8.965 -10.161 1.00 53.03 C ATOM 1567 C VAL A 100 4.782 -9.322 -10.849 1.00 51.35 C ATOM 1568 O VAL A 100 3.759 -8.671 -10.634 1.00 23.44 O ATOM 1569 CB VAL A 100 5.947 -9.196 -8.646 1.00 34.22 C ATOM 1570 CG1 VAL A 100 7.301 -9.114 -7.958 1.00 72.31 C ATOM 1571 CG2 VAL A 100 4.974 -8.192 -8.047 1.00 14.04 C ATOM 0 H VAL A 100 6.226 -6.917 -9.733 1.00 52.25 H new ATOM 0 HA VAL A 100 6.888 -9.607 -10.543 1.00 53.03 H new ATOM 0 HB VAL A 100 5.546 -10.197 -8.486 1.00 34.22 H new ATOM 0 HG11 VAL A 100 7.176 -9.280 -6.888 1.00 72.31 H new ATOM 0 HG12 VAL A 100 7.964 -9.876 -8.368 1.00 72.31 H new ATOM 0 HG13 VAL A 100 7.734 -8.128 -8.124 1.00 72.31 H new ATOM 0 HG21 VAL A 100 4.881 -8.370 -6.976 1.00 14.04 H new ATOM 0 HG22 VAL A 100 5.344 -7.181 -8.216 1.00 14.04 H new ATOM 0 HG23 VAL A 100 3.998 -8.305 -8.519 1.00 14.04 H new ATOM 1581 N SER A 101 4.818 -10.360 -11.679 1.00 11.30 N ATOM 1582 CA SER A 101 3.631 -10.802 -12.402 1.00 43.32 C ATOM 1583 C SER A 101 2.931 -11.934 -11.657 1.00 1.12 C ATOM 1584 O SER A 101 2.088 -12.635 -12.217 1.00 55.52 O ATOM 1585 CB SER A 101 4.009 -11.261 -13.812 1.00 11.21 C ATOM 1586 OG SER A 101 4.086 -10.161 -14.703 1.00 24.54 O ATOM 0 H SER A 101 5.656 -10.910 -11.867 1.00 11.30 H new ATOM 0 HA SER A 101 2.944 -9.959 -12.474 1.00 43.32 H new ATOM 0 HB2 SER A 101 4.968 -11.779 -13.785 1.00 11.21 H new ATOM 0 HB3 SER A 101 3.271 -11.976 -14.175 1.00 11.21 H new ATOM 0 HG SER A 101 4.331 -10.480 -15.597 1.00 24.54 H new ATOM 1592 N THR A 102 3.287 -12.108 -10.388 1.00 3.23 N ATOM 1593 CA THR A 102 2.696 -13.155 -9.564 1.00 54.44 C ATOM 1594 C THR A 102 2.574 -12.709 -8.112 1.00 13.32 C ATOM 1595 O THR A 102 3.562 -12.330 -7.484 1.00 50.20 O ATOM 1596 CB THR A 102 3.524 -14.452 -9.624 1.00 3.35 C ATOM 1597 OG1 THR A 102 4.740 -14.290 -8.885 1.00 24.21 O ATOM 1598 CG2 THR A 102 3.845 -14.824 -11.063 1.00 40.23 C ATOM 0 H THR A 102 3.982 -11.537 -9.908 1.00 3.23 H new ATOM 0 HA THR A 102 1.702 -13.349 -9.966 1.00 54.44 H new ATOM 0 HB THR A 102 2.934 -15.255 -9.182 1.00 3.35 H new ATOM 0 HG1 THR A 102 5.261 -15.119 -8.926 1.00 24.21 H new ATOM 0 HG21 THR A 102 4.430 -15.743 -11.079 1.00 40.23 H new ATOM 0 HG22 THR A 102 2.918 -14.975 -11.615 1.00 40.23 H new ATOM 0 HG23 THR A 102 4.418 -14.021 -11.527 1.00 40.23 H new ATOM 1606 N ALA A 103 1.355 -12.757 -7.583 1.00 64.10 N ATOM 1607 CA ALA A 103 1.105 -12.361 -6.203 1.00 3.51 C ATOM 1608 C ALA A 103 2.018 -13.114 -5.241 1.00 42.33 C ATOM 1609 O ALA A 103 2.333 -12.624 -4.157 1.00 50.32 O ATOM 1610 CB ALA A 103 -0.354 -12.596 -5.842 1.00 61.22 C ATOM 0 H ALA A 103 0.526 -13.066 -8.090 1.00 64.10 H new ATOM 0 HA ALA A 103 1.323 -11.297 -6.112 1.00 3.51 H new ATOM 0 HB1 ALA A 103 -0.526 -12.296 -4.808 1.00 61.22 H new ATOM 0 HB2 ALA A 103 -0.991 -12.007 -6.502 1.00 61.22 H new ATOM 0 HB3 ALA A 103 -0.591 -13.654 -5.957 1.00 61.22 H new ATOM 1616 N ALA A 104 2.440 -14.308 -5.645 1.00 54.44 N ATOM 1617 CA ALA A 104 3.317 -15.128 -4.820 1.00 4.42 C ATOM 1618 C ALA A 104 4.704 -14.503 -4.704 1.00 53.20 C ATOM 1619 O ALA A 104 5.255 -14.391 -3.609 1.00 52.25 O ATOM 1620 CB ALA A 104 3.416 -16.534 -5.391 1.00 25.54 C ATOM 0 H ALA A 104 2.188 -14.729 -6.539 1.00 54.44 H new ATOM 0 HA ALA A 104 2.887 -15.183 -3.820 1.00 4.42 H new ATOM 0 HB1 ALA A 104 4.074 -17.136 -4.764 1.00 25.54 H new ATOM 0 HB2 ALA A 104 2.425 -16.987 -5.416 1.00 25.54 H new ATOM 0 HB3 ALA A 104 3.820 -16.488 -6.402 1.00 25.54 H new ATOM 1626 N ALA A 105 5.262 -14.098 -5.840 1.00 60.21 N ATOM 1627 CA ALA A 105 6.583 -13.484 -5.865 1.00 45.44 C ATOM 1628 C ALA A 105 6.596 -12.176 -5.080 1.00 60.35 C ATOM 1629 O ALA A 105 7.582 -11.846 -4.422 1.00 70.03 O ATOM 1630 CB ALA A 105 7.027 -13.244 -7.301 1.00 54.20 C ATOM 0 H ALA A 105 4.819 -14.184 -6.755 1.00 60.21 H new ATOM 0 HA ALA A 105 7.284 -14.170 -5.389 1.00 45.44 H new ATOM 0 HB1 ALA A 105 8.016 -12.785 -7.304 1.00 54.20 H new ATOM 0 HB2 ALA A 105 7.067 -14.194 -7.833 1.00 54.20 H new ATOM 0 HB3 ALA A 105 6.317 -12.581 -7.795 1.00 54.20 H new ATOM 1636 N ALA A 106 5.495 -11.436 -5.155 1.00 51.14 N ATOM 1637 CA ALA A 106 5.379 -10.165 -4.451 1.00 24.23 C ATOM 1638 C ALA A 106 5.463 -10.365 -2.941 1.00 43.03 C ATOM 1639 O ALA A 106 6.287 -9.746 -2.270 1.00 4.45 O ATOM 1640 CB ALA A 106 4.076 -9.473 -4.822 1.00 5.52 C ATOM 0 H ALA A 106 4.670 -11.695 -5.696 1.00 51.14 H new ATOM 0 HA ALA A 106 6.213 -9.532 -4.755 1.00 24.23 H new ATOM 0 HB1 ALA A 106 4.003 -8.525 -4.289 1.00 5.52 H new ATOM 0 HB2 ALA A 106 4.055 -9.288 -5.896 1.00 5.52 H new ATOM 0 HB3 ALA A 106 3.235 -10.110 -4.547 1.00 5.52 H new ATOM 1646 N GLU A 107 4.605 -11.233 -2.415 1.00 53.11 N ATOM 1647 CA GLU A 107 4.582 -11.512 -0.984 1.00 41.11 C ATOM 1648 C GLU A 107 5.937 -12.029 -0.509 1.00 72.32 C ATOM 1649 O GLU A 107 6.428 -11.635 0.548 1.00 51.25 O ATOM 1650 CB GLU A 107 3.491 -12.534 -0.658 1.00 52.24 C ATOM 1651 CG GLU A 107 3.528 -13.026 0.779 1.00 74.55 C ATOM 1652 CD GLU A 107 4.253 -14.350 0.923 1.00 23.01 C ATOM 1653 OE1 GLU A 107 5.497 -14.335 1.039 1.00 13.53 O ATOM 1654 OE2 GLU A 107 3.579 -15.401 0.920 1.00 54.32 O ATOM 0 H GLU A 107 3.917 -11.755 -2.958 1.00 53.11 H new ATOM 0 HA GLU A 107 4.364 -10.580 -0.462 1.00 41.11 H new ATOM 0 HB2 GLU A 107 2.516 -12.088 -0.855 1.00 52.24 H new ATOM 0 HB3 GLU A 107 3.593 -13.388 -1.328 1.00 52.24 H new ATOM 0 HG2 GLU A 107 4.018 -12.278 1.403 1.00 74.55 H new ATOM 0 HG3 GLU A 107 2.508 -13.132 1.149 1.00 74.55 H new ATOM 1661 N ASN A 108 6.535 -12.916 -1.298 1.00 52.14 N ATOM 1662 CA ASN A 108 7.832 -13.489 -0.959 1.00 2.11 C ATOM 1663 C ASN A 108 8.915 -12.414 -0.944 1.00 53.13 C ATOM 1664 O ASN A 108 9.837 -12.458 -0.131 1.00 32.55 O ATOM 1665 CB ASN A 108 8.204 -14.589 -1.955 1.00 74.12 C ATOM 1666 CG ASN A 108 9.478 -15.314 -1.568 1.00 1.14 C ATOM 1667 OD1 ASN A 108 9.825 -15.395 -0.389 1.00 62.32 O ATOM 1668 ND2 ASN A 108 10.182 -15.845 -2.561 1.00 1.53 N ATOM 0 H ASN A 108 6.142 -13.253 -2.177 1.00 52.14 H new ATOM 0 HA ASN A 108 7.760 -13.921 0.039 1.00 2.11 H new ATOM 0 HB2 ASN A 108 7.387 -15.307 -2.021 1.00 74.12 H new ATOM 0 HB3 ASN A 108 8.325 -14.152 -2.946 1.00 74.12 H new ATOM 0 HD21 ASN A 108 11.049 -16.345 -2.362 1.00 1.53 H new ATOM 0 HD22 ASN A 108 9.856 -15.753 -3.523 1.00 1.53 H new ATOM 1675 N MET A 109 8.795 -11.449 -1.850 1.00 14.30 N ATOM 1676 CA MET A 109 9.762 -10.361 -1.940 1.00 31.11 C ATOM 1677 C MET A 109 9.635 -9.421 -0.746 1.00 2.25 C ATOM 1678 O MET A 109 10.636 -8.951 -0.204 1.00 64.21 O ATOM 1679 CB MET A 109 9.565 -9.581 -3.241 1.00 72.11 C ATOM 1680 CG MET A 109 10.723 -9.722 -4.215 1.00 41.34 C ATOM 1681 SD MET A 109 12.265 -9.053 -3.563 1.00 10.44 S ATOM 1682 CE MET A 109 11.788 -7.357 -3.239 1.00 12.15 C ATOM 0 H MET A 109 8.038 -11.398 -2.532 1.00 14.30 H new ATOM 0 HA MET A 109 10.762 -10.795 -1.933 1.00 31.11 H new ATOM 0 HB2 MET A 109 8.650 -9.923 -3.725 1.00 72.11 H new ATOM 0 HB3 MET A 109 9.426 -8.526 -3.005 1.00 72.11 H new ATOM 0 HG2 MET A 109 10.862 -10.776 -4.457 1.00 41.34 H new ATOM 0 HG3 MET A 109 10.474 -9.211 -5.145 1.00 41.34 H new ATOM 0 HE1 MET A 109 12.633 -6.697 -3.438 1.00 12.15 H new ATOM 0 HE2 MET A 109 10.954 -7.084 -3.885 1.00 12.15 H new ATOM 0 HE3 MET A 109 11.487 -7.257 -2.196 1.00 12.15 H new ATOM 1692 N TYR A 110 8.400 -9.150 -0.340 1.00 53.12 N ATOM 1693 CA TYR A 110 8.143 -8.263 0.788 1.00 33.25 C ATOM 1694 C TYR A 110 8.737 -8.831 2.074 1.00 75.42 C ATOM 1695 O TYR A 110 9.334 -8.106 2.869 1.00 53.32 O ATOM 1696 CB TYR A 110 6.638 -8.046 0.961 1.00 5.20 C ATOM 1697 CG TYR A 110 6.293 -6.798 1.741 1.00 14.33 C ATOM 1698 CD1 TYR A 110 6.759 -5.552 1.340 1.00 54.02 C ATOM 1699 CD2 TYR A 110 5.499 -6.864 2.880 1.00 73.32 C ATOM 1700 CE1 TYR A 110 6.446 -4.409 2.050 1.00 33.32 C ATOM 1701 CE2 TYR A 110 5.180 -5.727 3.596 1.00 55.44 C ATOM 1702 CZ TYR A 110 5.656 -4.502 3.177 1.00 12.31 C ATOM 1703 OH TYR A 110 5.341 -3.366 3.887 1.00 54.44 O ATOM 0 H TYR A 110 7.561 -9.532 -0.776 1.00 53.12 H new ATOM 0 HA TYR A 110 8.620 -7.305 0.580 1.00 33.25 H new ATOM 0 HB2 TYR A 110 6.172 -7.990 -0.023 1.00 5.20 H new ATOM 0 HB3 TYR A 110 6.210 -8.911 1.468 1.00 5.20 H new ATOM 0 HD1 TYR A 110 7.377 -5.476 0.458 1.00 54.02 H new ATOM 0 HD2 TYR A 110 5.125 -7.822 3.211 1.00 73.32 H new ATOM 0 HE1 TYR A 110 6.818 -3.449 1.725 1.00 33.32 H new ATOM 0 HE2 TYR A 110 4.562 -5.797 4.479 1.00 55.44 H new ATOM 0 HH TYR A 110 4.777 -3.604 4.652 1.00 54.44 H new ATOM 1713 N SER A 111 8.568 -10.135 2.270 1.00 61.21 N ATOM 1714 CA SER A 111 9.084 -10.802 3.460 1.00 70.24 C ATOM 1715 C SER A 111 10.598 -10.969 3.375 1.00 21.22 C ATOM 1716 O SER A 111 11.324 -10.624 4.307 1.00 14.43 O ATOM 1717 CB SER A 111 8.418 -12.168 3.634 1.00 72.45 C ATOM 1718 OG SER A 111 7.085 -12.151 3.153 1.00 52.32 O ATOM 0 H SER A 111 8.078 -10.750 1.620 1.00 61.21 H new ATOM 0 HA SER A 111 8.852 -10.180 4.325 1.00 70.24 H new ATOM 0 HB2 SER A 111 8.991 -12.926 3.100 1.00 72.45 H new ATOM 0 HB3 SER A 111 8.424 -12.447 4.688 1.00 72.45 H new ATOM 0 HG SER A 111 7.091 -12.103 2.174 1.00 52.32 H new ATOM 1724 N GLN A 112 11.067 -11.501 2.251 1.00 33.41 N ATOM 1725 CA GLN A 112 12.494 -11.715 2.045 1.00 62.23 C ATOM 1726 C GLN A 112 13.264 -10.405 2.169 1.00 44.33 C ATOM 1727 O GLN A 112 14.446 -10.398 2.511 1.00 24.42 O ATOM 1728 CB GLN A 112 12.745 -12.340 0.671 1.00 55.41 C ATOM 1729 CG GLN A 112 14.149 -12.895 0.502 1.00 64.01 C ATOM 1730 CD GLN A 112 14.312 -13.691 -0.778 1.00 43.20 C ATOM 1731 OE1 GLN A 112 15.073 -13.309 -1.668 1.00 11.42 O ATOM 1732 NE2 GLN A 112 13.597 -14.805 -0.878 1.00 30.13 N ATOM 0 H GLN A 112 10.480 -11.792 1.469 1.00 33.41 H new ATOM 0 HA GLN A 112 12.848 -12.398 2.817 1.00 62.23 H new ATOM 0 HB2 GLN A 112 12.025 -13.142 0.509 1.00 55.41 H new ATOM 0 HB3 GLN A 112 12.565 -11.589 -0.099 1.00 55.41 H new ATOM 0 HG2 GLN A 112 14.864 -12.072 0.507 1.00 64.01 H new ATOM 0 HG3 GLN A 112 14.389 -13.531 1.354 1.00 64.01 H new ATOM 0 HE21 GLN A 112 12.979 -15.084 -0.116 1.00 30.13 H new ATOM 0 HE22 GLN A 112 13.666 -15.382 -1.716 1.00 30.13 H new ATOM 1741 N MET A 113 12.586 -9.297 1.887 1.00 5.35 N ATOM 1742 CA MET A 113 13.208 -7.980 1.969 1.00 53.24 C ATOM 1743 C MET A 113 13.333 -7.526 3.420 1.00 75.14 C ATOM 1744 O MET A 113 14.209 -6.732 3.758 1.00 20.15 O ATOM 1745 CB MET A 113 12.394 -6.959 1.171 1.00 45.32 C ATOM 1746 CG MET A 113 13.010 -5.569 1.158 1.00 54.34 C ATOM 1747 SD MET A 113 12.939 -4.794 -0.469 1.00 5.41 S ATOM 1748 CE MET A 113 14.139 -3.479 -0.269 1.00 44.15 C ATOM 0 H MET A 113 11.607 -9.285 1.600 1.00 5.35 H new ATOM 0 HA MET A 113 14.209 -8.051 1.543 1.00 53.24 H new ATOM 0 HB2 MET A 113 12.290 -7.311 0.145 1.00 45.32 H new ATOM 0 HB3 MET A 113 11.390 -6.899 1.591 1.00 45.32 H new ATOM 0 HG2 MET A 113 12.490 -4.939 1.880 1.00 54.34 H new ATOM 0 HG3 MET A 113 14.049 -5.633 1.481 1.00 54.34 H new ATOM 0 HE1 MET A 113 14.210 -2.907 -1.194 1.00 44.15 H new ATOM 0 HE2 MET A 113 13.826 -2.821 0.542 1.00 44.15 H new ATOM 0 HE3 MET A 113 15.113 -3.908 -0.032 1.00 44.15 H new ATOM 1758 N GLY A 114 12.449 -8.036 4.273 1.00 41.33 N ATOM 1759 CA GLY A 114 12.478 -7.670 5.677 1.00 70.51 C ATOM 1760 C GLY A 114 11.447 -6.614 6.023 1.00 63.14 C ATOM 1761 O GLY A 114 11.567 -5.928 7.038 1.00 4.42 O ATOM 0 H GLY A 114 11.714 -8.695 4.017 1.00 41.33 H new ATOM 0 HA2 GLY A 114 12.302 -8.558 6.284 1.00 70.51 H new ATOM 0 HA3 GLY A 114 13.471 -7.301 5.933 1.00 70.51 H new