USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 794 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 56 THR OG1 : rot 160:sc= -1.65 USER MOD Set 1.2: A 59 GLN : amide:sc= -1.72 K(o=-3.4,f=-2.4) 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 180:sc= -0.292 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.147 K(o=0.15,f=-1.3) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.46 K(o=-4.5,f=-6.7!) USER MOD Single : A 45 SER OG : rot 150:sc= -0.697 USER MOD Single : A 46 THR OG1 : rot -10:sc= 1.15 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 133:sc= -0.0961 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -93:sc= 1.63 USER MOD Single : A 88 LYS NZ :NH3+ 170:sc= -0.932 (180deg=-1.34) USER MOD Single : A 97 ASN : amide:sc= -0.0251 K(o=-0.025,f=-0.89) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 108 ASN : amide:sc= -0.341 K(o=-0.34,f=-1.1) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 0:sc= -0.996 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 112 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.2!) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -5.204 9.661 3.164 1.00 23.13 N ATOM 78 CA ASP A 8 -5.335 8.226 2.941 1.00 22.35 C ATOM 79 C ASP A 8 -4.224 7.461 3.655 1.00 12.33 C ATOM 80 O ASP A 8 -4.385 6.290 3.998 1.00 61.11 O ATOM 81 CB ASP A 8 -5.303 7.916 1.444 1.00 34.51 C ATOM 82 CG ASP A 8 -6.669 7.545 0.901 1.00 54.32 C ATOM 83 OD1 ASP A 8 -7.449 8.466 0.576 1.00 65.13 O ATOM 84 OD2 ASP A 8 -6.959 6.335 0.800 1.00 52.03 O ATOM 0 HA ASP A 8 -6.293 7.906 3.350 1.00 22.35 H new ATOM 0 HB2 ASP A 8 -4.924 8.784 0.904 1.00 34.51 H new ATOM 0 HB3 ASP A 8 -4.607 7.097 1.260 1.00 34.51 H new ATOM 89 N TRP A 9 -3.099 8.131 3.875 1.00 40.40 N ATOM 90 CA TRP A 9 -1.961 7.514 4.547 1.00 10.51 C ATOM 91 C TRP A 9 -2.263 7.278 6.023 1.00 50.22 C ATOM 92 O TRP A 9 -2.272 6.139 6.491 1.00 44.43 O ATOM 93 CB TRP A 9 -0.719 8.395 4.403 1.00 65.33 C ATOM 94 CG TRP A 9 0.459 7.892 5.181 1.00 3.14 C ATOM 95 CD1 TRP A 9 1.054 8.499 6.250 1.00 23.15 C ATOM 96 CD2 TRP A 9 1.186 6.680 4.950 1.00 15.11 C ATOM 97 NE1 TRP A 9 2.107 7.737 6.698 1.00 52.03 N ATOM 98 CE2 TRP A 9 2.208 6.616 5.917 1.00 34.24 C ATOM 99 CE3 TRP A 9 1.071 5.642 4.022 1.00 73.03 C ATOM 100 CZ2 TRP A 9 3.107 5.555 5.980 1.00 45.25 C ATOM 101 CZ3 TRP A 9 1.965 4.590 4.085 1.00 52.24 C ATOM 102 CH2 TRP A 9 2.972 4.553 5.058 1.00 31.41 C ATOM 0 H TRP A 9 -2.950 9.101 3.598 1.00 40.40 H new ATOM 0 HA TRP A 9 -1.771 6.550 4.075 1.00 10.51 H new ATOM 0 HB2 TRP A 9 -0.448 8.460 3.349 1.00 65.33 H new ATOM 0 HB3 TRP A 9 -0.959 9.406 4.733 1.00 65.33 H new ATOM 0 HD1 TRP A 9 0.743 9.440 6.680 1.00 23.15 H new ATOM 0 HE1 TRP A 9 2.714 7.969 7.484 1.00 52.03 H new ATOM 0 HE3 TRP A 9 0.297 5.661 3.269 1.00 73.03 H new ATOM 0 HZ2 TRP A 9 3.883 5.524 6.730 1.00 45.25 H new ATOM 0 HZ3 TRP A 9 1.886 3.783 3.372 1.00 52.24 H new ATOM 0 HH2 TRP A 9 3.655 3.717 5.081 1.00 31.41 H new ATOM 113 N LYS A 10 -2.511 8.361 6.752 1.00 22.23 N ATOM 114 CA LYS A 10 -2.815 8.272 8.175 1.00 31.25 C ATOM 115 C LYS A 10 -4.144 7.559 8.404 1.00 31.01 C ATOM 116 O LYS A 10 -4.344 6.914 9.433 1.00 40.00 O ATOM 117 CB LYS A 10 -2.861 9.670 8.797 1.00 65.33 C ATOM 118 CG LYS A 10 -2.360 9.715 10.230 1.00 31.20 C ATOM 119 CD LYS A 10 -0.842 9.753 10.290 1.00 73.02 C ATOM 120 CE LYS A 10 -0.351 10.364 11.593 1.00 20.44 C ATOM 121 NZ LYS A 10 -0.133 9.330 12.643 1.00 62.34 N ATOM 0 H LYS A 10 -2.507 9.311 6.380 1.00 22.23 H new ATOM 0 HA LYS A 10 -2.025 7.694 8.654 1.00 31.25 H new ATOM 0 HB2 LYS A 10 -2.262 10.348 8.190 1.00 65.33 H new ATOM 0 HB3 LYS A 10 -3.887 10.038 8.768 1.00 65.33 H new ATOM 0 HG2 LYS A 10 -2.767 10.593 10.731 1.00 31.20 H new ATOM 0 HG3 LYS A 10 -2.725 8.842 10.771 1.00 31.20 H new ATOM 0 HD2 LYS A 10 -0.447 8.742 10.190 1.00 73.02 H new ATOM 0 HD3 LYS A 10 -0.458 10.330 9.449 1.00 73.02 H new ATOM 0 HE2 LYS A 10 0.580 10.902 11.414 1.00 20.44 H new ATOM 0 HE3 LYS A 10 -1.078 11.095 11.948 1.00 20.44 H new ATOM 0 HZ1 LYS A 10 0.201 9.786 13.516 1.00 62.34 H new ATOM 0 HZ2 LYS A 10 -1.027 8.834 12.832 1.00 62.34 H new ATOM 0 HZ3 LYS A 10 0.579 8.647 12.315 1.00 62.34 H new ATOM 135 N MET A 11 -5.049 7.679 7.438 1.00 64.22 N ATOM 136 CA MET A 11 -6.358 7.043 7.534 1.00 44.12 C ATOM 137 C MET A 11 -6.245 5.534 7.339 1.00 2.42 C ATOM 138 O MET A 11 -6.921 4.760 8.015 1.00 32.22 O ATOM 139 CB MET A 11 -7.312 7.633 6.494 1.00 13.11 C ATOM 140 CG MET A 11 -7.830 9.015 6.859 1.00 4.12 C ATOM 141 SD MET A 11 -9.337 8.954 7.846 1.00 32.13 S ATOM 142 CE MET A 11 -10.527 9.628 6.689 1.00 31.53 C ATOM 0 H MET A 11 -4.900 8.210 6.580 1.00 64.22 H new ATOM 0 HA MET A 11 -6.755 7.234 8.531 1.00 44.12 H new ATOM 0 HB2 MET A 11 -6.800 7.688 5.533 1.00 13.11 H new ATOM 0 HB3 MET A 11 -8.159 6.959 6.366 1.00 13.11 H new ATOM 0 HG2 MET A 11 -7.060 9.553 7.412 1.00 4.12 H new ATOM 0 HG3 MET A 11 -8.021 9.580 5.946 1.00 4.12 H new ATOM 0 HE1 MET A 11 -11.512 9.655 7.155 1.00 31.53 H new ATOM 0 HE2 MET A 11 -10.230 10.639 6.409 1.00 31.53 H new ATOM 0 HE3 MET A 11 -10.564 9.001 5.798 1.00 31.53 H new ATOM 152 N ALA A 12 -5.386 5.124 6.411 1.00 13.42 N ATOM 153 CA ALA A 12 -5.184 3.709 6.130 1.00 73.45 C ATOM 154 C ALA A 12 -4.570 2.993 7.328 1.00 62.25 C ATOM 155 O ALA A 12 -5.026 1.919 7.721 1.00 24.23 O ATOM 156 CB ALA A 12 -4.304 3.535 4.900 1.00 14.44 C ATOM 0 H ALA A 12 -4.819 5.752 5.841 1.00 13.42 H new ATOM 0 HA ALA A 12 -6.158 3.261 5.933 1.00 73.45 H new ATOM 0 HB1 ALA A 12 -4.162 2.473 4.702 1.00 14.44 H new ATOM 0 HB2 ALA A 12 -4.783 4.003 4.040 1.00 14.44 H new ATOM 0 HB3 ALA A 12 -3.336 4.004 5.076 1.00 14.44 H new ATOM 162 N ILE A 13 -3.533 3.594 7.902 1.00 33.31 N ATOM 163 CA ILE A 13 -2.857 3.013 9.055 1.00 32.24 C ATOM 164 C ILE A 13 -3.807 2.883 10.242 1.00 43.54 C ATOM 165 O ILE A 13 -3.956 1.805 10.817 1.00 2.54 O ATOM 166 CB ILE A 13 -1.639 3.855 9.477 1.00 42.31 C ATOM 167 CG1 ILE A 13 -0.645 3.969 8.319 1.00 10.52 C ATOM 168 CG2 ILE A 13 -0.969 3.244 10.699 1.00 72.24 C ATOM 169 CD1 ILE A 13 -0.033 2.646 7.916 1.00 40.45 C ATOM 0 H ILE A 13 -3.143 4.482 7.587 1.00 33.31 H new ATOM 0 HA ILE A 13 -2.517 2.022 8.755 1.00 32.24 H new ATOM 0 HB ILE A 13 -1.981 4.856 9.738 1.00 42.31 H new ATOM 0 HG12 ILE A 13 -1.152 4.403 7.457 1.00 10.52 H new ATOM 0 HG13 ILE A 13 0.151 4.658 8.601 1.00 10.52 H new ATOM 0 HG21 ILE A 13 -0.110 3.851 10.985 1.00 72.24 H new ATOM 0 HG22 ILE A 13 -1.680 3.210 11.525 1.00 72.24 H new ATOM 0 HG23 ILE A 13 -0.637 2.233 10.464 1.00 72.24 H new ATOM 0 HD11 ILE A 13 0.661 2.803 7.090 1.00 40.45 H new ATOM 0 HD12 ILE A 13 0.502 2.219 8.764 1.00 40.45 H new ATOM 0 HD13 ILE A 13 -0.821 1.961 7.603 1.00 40.45 H new ATOM 181 N LYS A 14 -4.449 3.990 10.602 1.00 60.55 N ATOM 182 CA LYS A 14 -5.388 4.001 11.717 1.00 4.13 C ATOM 183 C LYS A 14 -6.447 2.916 11.549 1.00 44.43 C ATOM 184 O LYS A 14 -6.811 2.237 12.508 1.00 22.25 O ATOM 185 CB LYS A 14 -6.059 5.371 11.831 1.00 14.42 C ATOM 186 CG LYS A 14 -6.348 5.790 13.262 1.00 0.33 C ATOM 187 CD LYS A 14 -7.766 6.315 13.415 1.00 43.23 C ATOM 188 CE LYS A 14 -8.069 6.691 14.857 1.00 41.31 C ATOM 189 NZ LYS A 14 -8.669 5.556 15.612 1.00 40.43 N ATOM 0 H LYS A 14 -4.336 4.891 10.137 1.00 60.55 H new ATOM 0 HA LYS A 14 -4.830 3.799 12.631 1.00 4.13 H new ATOM 0 HB2 LYS A 14 -5.419 6.120 11.364 1.00 14.42 H new ATOM 0 HB3 LYS A 14 -6.993 5.356 11.270 1.00 14.42 H new ATOM 0 HG2 LYS A 14 -6.200 4.940 13.928 1.00 0.33 H new ATOM 0 HG3 LYS A 14 -5.639 6.560 13.567 1.00 0.33 H new ATOM 0 HD2 LYS A 14 -7.904 7.186 12.774 1.00 43.23 H new ATOM 0 HD3 LYS A 14 -8.474 5.557 13.079 1.00 43.23 H new ATOM 0 HE2 LYS A 14 -7.151 7.010 15.350 1.00 41.31 H new ATOM 0 HE3 LYS A 14 -8.752 7.540 14.875 1.00 41.31 H new ATOM 0 HZ1 LYS A 14 -8.861 5.853 16.590 1.00 40.43 H new ATOM 0 HZ2 LYS A 14 -9.559 5.268 15.157 1.00 40.43 H new ATOM 0 HZ3 LYS A 14 -8.007 4.754 15.617 1.00 40.43 H new ATOM 203 N ARG A 15 -6.936 2.759 10.323 1.00 22.21 N ATOM 204 CA ARG A 15 -7.953 1.756 10.029 1.00 3.24 C ATOM 205 C ARG A 15 -7.362 0.350 10.083 1.00 44.53 C ATOM 206 O ARG A 15 -7.986 -0.577 10.599 1.00 71.11 O ATOM 207 CB ARG A 15 -8.567 2.011 8.652 1.00 75.31 C ATOM 208 CG ARG A 15 -9.690 3.035 8.666 1.00 74.21 C ATOM 209 CD ARG A 15 -10.948 2.491 8.007 1.00 55.10 C ATOM 210 NE ARG A 15 -12.101 3.361 8.227 1.00 31.51 N ATOM 211 CZ ARG A 15 -12.753 3.438 9.382 1.00 40.41 C ATOM 212 NH1 ARG A 15 -12.367 2.703 10.416 1.00 52.34 N ATOM 213 NH2 ARG A 15 -13.793 4.253 9.504 1.00 1.45 N ATOM 0 H ARG A 15 -6.645 3.313 9.518 1.00 22.21 H new ATOM 0 HA ARG A 15 -8.733 1.832 10.787 1.00 3.24 H new ATOM 0 HB2 ARG A 15 -7.785 2.351 7.972 1.00 75.31 H new ATOM 0 HB3 ARG A 15 -8.949 1.071 8.254 1.00 75.31 H new ATOM 0 HG2 ARG A 15 -9.911 3.320 9.695 1.00 74.21 H new ATOM 0 HG3 ARG A 15 -9.367 3.938 8.147 1.00 74.21 H new ATOM 0 HD2 ARG A 15 -10.777 2.379 6.936 1.00 55.10 H new ATOM 0 HD3 ARG A 15 -11.163 1.498 8.401 1.00 55.10 H new ATOM 0 HE ARG A 15 -12.423 3.941 7.452 1.00 31.51 H new ATOM 0 HH11 ARG A 15 -11.567 2.076 10.326 1.00 52.34 H new ATOM 0 HH12 ARG A 15 -12.870 2.764 11.301 1.00 52.34 H new ATOM 0 HH21 ARG A 15 -14.092 4.820 8.711 1.00 1.45 H new ATOM 0 HH22 ARG A 15 -14.293 4.312 10.391 1.00 1.45 H new ATOM 227 N CYS A 16 -6.156 0.201 9.546 1.00 61.22 N ATOM 228 CA CYS A 16 -5.481 -1.092 9.531 1.00 63.12 C ATOM 229 C CYS A 16 -5.359 -1.659 10.942 1.00 54.53 C ATOM 230 O CYS A 16 -5.413 -2.872 11.141 1.00 31.00 O ATOM 231 CB CYS A 16 -4.094 -0.959 8.900 1.00 23.24 C ATOM 232 SG CYS A 16 -3.553 -2.425 7.989 1.00 14.44 S ATOM 0 H CYS A 16 -5.626 0.959 9.116 1.00 61.22 H new ATOM 0 HA CYS A 16 -6.080 -1.780 8.934 1.00 63.12 H new ATOM 0 HB2 CYS A 16 -4.095 -0.104 8.224 1.00 23.24 H new ATOM 0 HB3 CYS A 16 -3.369 -0.744 9.685 1.00 23.24 H new ATOM 0 HG CYS A 16 -2.371 -2.215 7.491 1.00 14.44 H new ATOM 238 N SER A 17 -5.194 -0.771 11.918 1.00 63.54 N ATOM 239 CA SER A 17 -5.059 -1.183 13.310 1.00 21.20 C ATOM 240 C SER A 17 -6.216 -2.087 13.724 1.00 54.31 C ATOM 241 O SER A 17 -6.070 -2.940 14.598 1.00 71.24 O ATOM 242 CB SER A 17 -5.002 0.043 14.223 1.00 34.03 C ATOM 243 OG SER A 17 -4.096 -0.159 15.293 1.00 24.43 O ATOM 0 H SER A 17 -5.151 0.237 11.770 1.00 63.54 H new ATOM 0 HA SER A 17 -4.130 -1.744 13.409 1.00 21.20 H new ATOM 0 HB2 SER A 17 -4.699 0.916 13.646 1.00 34.03 H new ATOM 0 HB3 SER A 17 -5.996 0.252 14.619 1.00 34.03 H new ATOM 0 HG SER A 17 -4.077 0.640 15.861 1.00 24.43 H new ATOM 249 N ASN A 18 -7.368 -1.891 13.089 1.00 64.42 N ATOM 250 CA ASN A 18 -8.552 -2.688 13.391 1.00 44.54 C ATOM 251 C ASN A 18 -8.491 -4.040 12.688 1.00 72.25 C ATOM 252 O ASN A 18 -9.003 -5.039 13.194 1.00 2.22 O ATOM 253 CB ASN A 18 -9.817 -1.937 12.970 1.00 60.53 C ATOM 254 CG ASN A 18 -11.009 -2.279 13.843 1.00 41.21 C ATOM 255 OD1 ASN A 18 -10.950 -2.161 15.067 1.00 42.21 O ATOM 256 ND2 ASN A 18 -12.099 -2.705 13.216 1.00 60.04 N ATOM 0 H ASN A 18 -7.506 -1.188 12.363 1.00 64.42 H new ATOM 0 HA ASN A 18 -8.580 -2.860 14.467 1.00 44.54 H new ATOM 0 HB2 ASN A 18 -9.632 -0.864 13.017 1.00 60.53 H new ATOM 0 HB3 ASN A 18 -10.050 -2.176 11.932 1.00 60.53 H new ATOM 0 HD21 ASN A 18 -12.932 -2.950 13.751 1.00 60.04 H new ATOM 0 HD22 ASN A 18 -12.103 -2.788 12.199 1.00 60.04 H new ATOM 263 N VAL A 19 -7.862 -4.065 11.517 1.00 23.10 N ATOM 264 CA VAL A 19 -7.732 -5.295 10.745 1.00 54.15 C ATOM 265 C VAL A 19 -7.165 -6.423 11.598 1.00 25.03 C ATOM 266 O VAL A 19 -6.168 -6.245 12.297 1.00 4.44 O ATOM 267 CB VAL A 19 -6.828 -5.092 9.514 1.00 75.20 C ATOM 268 CG1 VAL A 19 -6.679 -6.394 8.741 1.00 54.54 C ATOM 269 CG2 VAL A 19 -7.383 -3.992 8.621 1.00 32.53 C ATOM 0 H VAL A 19 -7.435 -3.247 11.082 1.00 23.10 H new ATOM 0 HA VAL A 19 -8.734 -5.566 10.411 1.00 54.15 H new ATOM 0 HB VAL A 19 -5.840 -4.786 9.857 1.00 75.20 H new ATOM 0 HG11 VAL A 19 -6.037 -6.232 7.875 1.00 54.54 H new ATOM 0 HG12 VAL A 19 -6.233 -7.151 9.386 1.00 54.54 H new ATOM 0 HG13 VAL A 19 -7.660 -6.733 8.407 1.00 54.54 H new ATOM 0 HG21 VAL A 19 -6.732 -3.862 7.756 1.00 32.53 H new ATOM 0 HG22 VAL A 19 -8.383 -4.266 8.284 1.00 32.53 H new ATOM 0 HG23 VAL A 19 -7.432 -3.058 9.182 1.00 32.53 H new ATOM 279 N ALA A 20 -7.806 -7.585 11.536 1.00 20.30 N ATOM 280 CA ALA A 20 -7.363 -8.744 12.301 1.00 34.15 C ATOM 281 C ALA A 20 -6.528 -9.685 11.440 1.00 51.22 C ATOM 282 O ALA A 20 -7.066 -10.469 10.658 1.00 50.23 O ATOM 283 CB ALA A 20 -8.561 -9.481 12.883 1.00 62.21 C ATOM 0 H ALA A 20 -8.634 -7.749 10.964 1.00 20.30 H new ATOM 0 HA ALA A 20 -6.735 -8.390 13.119 1.00 34.15 H new ATOM 0 HB1 ALA A 20 -8.216 -10.344 13.452 1.00 62.21 H new ATOM 0 HB2 ALA A 20 -9.116 -8.812 13.540 1.00 62.21 H new ATOM 0 HB3 ALA A 20 -9.210 -9.816 12.074 1.00 62.21 H new ATOM 289 N VAL A 21 -5.210 -9.601 11.587 1.00 23.35 N ATOM 290 CA VAL A 21 -4.300 -10.446 10.823 1.00 43.32 C ATOM 291 C VAL A 21 -4.509 -11.919 11.153 1.00 22.22 C ATOM 292 O VAL A 21 -4.489 -12.774 10.268 1.00 2.42 O ATOM 293 CB VAL A 21 -2.829 -10.074 11.092 1.00 34.11 C ATOM 294 CG1 VAL A 21 -1.911 -10.779 10.106 1.00 60.14 C ATOM 295 CG2 VAL A 21 -2.640 -8.566 11.025 1.00 35.20 C ATOM 0 H VAL A 21 -4.748 -8.956 12.228 1.00 23.35 H new ATOM 0 HA VAL A 21 -4.523 -10.278 9.769 1.00 43.32 H new ATOM 0 HB VAL A 21 -2.566 -10.406 12.097 1.00 34.11 H new ATOM 0 HG11 VAL A 21 -0.876 -10.504 10.312 1.00 60.14 H new ATOM 0 HG12 VAL A 21 -2.027 -11.858 10.208 1.00 60.14 H new ATOM 0 HG13 VAL A 21 -2.171 -10.481 9.090 1.00 60.14 H new ATOM 0 HG21 VAL A 21 -1.595 -8.321 11.217 1.00 35.20 H new ATOM 0 HG22 VAL A 21 -2.920 -8.208 10.034 1.00 35.20 H new ATOM 0 HG23 VAL A 21 -3.269 -8.087 11.775 1.00 35.20 H new ATOM 375 N LYS A 28 -4.037 -9.555 17.656 1.00 41.13 N ATOM 376 CA LYS A 28 -3.320 -9.928 16.442 1.00 23.03 C ATOM 377 C LYS A 28 -3.780 -9.085 15.257 1.00 3.23 C ATOM 378 O LYS A 28 -4.147 -9.616 14.209 1.00 31.12 O ATOM 379 CB LYS A 28 -3.530 -11.413 16.137 1.00 2.12 C ATOM 380 CG LYS A 28 -2.452 -12.010 15.249 1.00 3.14 C ATOM 381 CD LYS A 28 -1.142 -12.181 16.001 1.00 50.24 C ATOM 382 CE LYS A 28 -0.024 -12.634 15.075 1.00 45.02 C ATOM 383 NZ LYS A 28 1.133 -13.189 15.832 1.00 55.01 N ATOM 0 HA LYS A 28 -2.258 -9.743 16.606 1.00 23.03 H new ATOM 0 HB2 LYS A 28 -3.564 -11.967 17.075 1.00 2.12 H new ATOM 0 HB3 LYS A 28 -4.499 -11.543 15.655 1.00 2.12 H new ATOM 0 HG2 LYS A 28 -2.785 -12.977 14.871 1.00 3.14 H new ATOM 0 HG3 LYS A 28 -2.295 -11.366 14.383 1.00 3.14 H new ATOM 0 HD2 LYS A 28 -0.866 -11.238 16.472 1.00 50.24 H new ATOM 0 HD3 LYS A 28 -1.272 -12.911 16.800 1.00 50.24 H new ATOM 0 HE2 LYS A 28 -0.405 -13.390 14.388 1.00 45.02 H new ATOM 0 HE3 LYS A 28 0.309 -11.792 14.469 1.00 45.02 H new ATOM 0 HZ1 LYS A 28 1.874 -13.486 15.165 1.00 55.01 H new ATOM 0 HZ2 LYS A 28 1.513 -12.460 16.469 1.00 55.01 H new ATOM 0 HZ3 LYS A 28 0.821 -14.009 16.391 1.00 55.01 H new ATOM 397 N LYS A 29 -3.756 -7.768 15.430 1.00 44.53 N ATOM 398 CA LYS A 29 -4.167 -6.850 14.374 1.00 13.32 C ATOM 399 C LYS A 29 -2.954 -6.210 13.706 1.00 55.11 C ATOM 400 O LYS A 29 -1.828 -6.341 14.185 1.00 20.12 O ATOM 401 CB LYS A 29 -5.082 -5.763 14.943 1.00 1.32 C ATOM 402 CG LYS A 29 -6.341 -6.307 15.596 1.00 62.24 C ATOM 403 CD LYS A 29 -7.126 -5.210 16.294 1.00 55.23 C ATOM 404 CE LYS A 29 -7.714 -5.696 17.610 1.00 73.04 C ATOM 405 NZ LYS A 29 -8.133 -4.564 18.482 1.00 73.12 N ATOM 0 H LYS A 29 -3.456 -7.312 16.292 1.00 44.53 H new ATOM 0 HA LYS A 29 -4.714 -7.421 13.623 1.00 13.32 H new ATOM 0 HB2 LYS A 29 -4.526 -5.179 15.676 1.00 1.32 H new ATOM 0 HB3 LYS A 29 -5.365 -5.081 14.141 1.00 1.32 H new ATOM 0 HG2 LYS A 29 -6.968 -6.780 14.841 1.00 62.24 H new ATOM 0 HG3 LYS A 29 -6.073 -7.079 16.317 1.00 62.24 H new ATOM 0 HD2 LYS A 29 -6.474 -4.356 16.479 1.00 55.23 H new ATOM 0 HD3 LYS A 29 -7.928 -4.864 15.642 1.00 55.23 H new ATOM 0 HE2 LYS A 29 -8.573 -6.337 17.409 1.00 73.04 H new ATOM 0 HE3 LYS A 29 -6.977 -6.305 18.134 1.00 73.04 H new ATOM 0 HZ1 LYS A 29 -8.528 -4.937 19.369 1.00 73.12 H new ATOM 0 HZ2 LYS A 29 -7.309 -3.966 18.695 1.00 73.12 H new ATOM 0 HZ3 LYS A 29 -8.855 -3.997 17.992 1.00 73.12 H new ATOM 419 N PHE A 30 -3.192 -5.516 12.598 1.00 75.33 N ATOM 420 CA PHE A 30 -2.119 -4.855 11.864 1.00 33.51 C ATOM 421 C PHE A 30 -1.744 -3.532 12.524 1.00 54.31 C ATOM 422 O PHE A 30 -2.324 -3.145 13.538 1.00 42.22 O ATOM 423 CB PHE A 30 -2.539 -4.614 10.412 1.00 24.05 C ATOM 424 CG PHE A 30 -2.127 -5.716 9.479 1.00 73.05 C ATOM 425 CD1 PHE A 30 -3.066 -6.356 8.685 1.00 23.22 C ATOM 426 CD2 PHE A 30 -0.802 -6.112 9.394 1.00 32.23 C ATOM 427 CE1 PHE A 30 -2.691 -7.370 7.824 1.00 25.54 C ATOM 428 CE2 PHE A 30 -0.421 -7.125 8.535 1.00 31.40 C ATOM 429 CZ PHE A 30 -1.366 -7.756 7.750 1.00 35.21 C ATOM 0 H PHE A 30 -4.119 -5.397 12.189 1.00 75.33 H new ATOM 0 HA PHE A 30 -1.246 -5.508 11.878 1.00 33.51 H new ATOM 0 HB2 PHE A 30 -3.622 -4.499 10.370 1.00 24.05 H new ATOM 0 HB3 PHE A 30 -2.105 -3.675 10.067 1.00 24.05 H new ATOM 0 HD1 PHE A 30 -4.103 -6.059 8.740 1.00 23.22 H new ATOM 0 HD2 PHE A 30 -0.058 -5.623 10.006 1.00 32.23 H new ATOM 0 HE1 PHE A 30 -3.432 -7.860 7.210 1.00 25.54 H new ATOM 0 HE2 PHE A 30 0.615 -7.423 8.477 1.00 31.40 H new ATOM 0 HZ PHE A 30 -1.070 -8.549 7.080 1.00 35.21 H new ATOM 439 N GLY A 31 -0.769 -2.841 11.940 1.00 33.42 N ATOM 440 CA GLY A 31 -0.332 -1.569 12.485 1.00 74.13 C ATOM 441 C GLY A 31 0.673 -0.870 11.591 1.00 72.52 C ATOM 442 O GLY A 31 0.884 -1.277 10.449 1.00 45.22 O ATOM 0 H GLY A 31 -0.274 -3.140 11.099 1.00 33.42 H new ATOM 0 HA2 GLY A 31 -1.197 -0.922 12.629 1.00 74.13 H new ATOM 0 HA3 GLY A 31 0.111 -1.731 13.467 1.00 74.13 H new ATOM 446 N GLU A 32 1.292 0.184 12.111 1.00 4.41 N ATOM 447 CA GLU A 32 2.279 0.942 11.350 1.00 11.11 C ATOM 448 C GLU A 32 3.524 0.101 11.084 1.00 20.01 C ATOM 449 O GLU A 32 3.927 -0.085 9.937 1.00 62.32 O ATOM 450 CB GLU A 32 2.663 2.219 12.100 1.00 4.13 C ATOM 451 CG GLU A 32 3.538 3.161 11.290 1.00 21.02 C ATOM 452 CD GLU A 32 4.806 3.555 12.023 1.00 61.32 C ATOM 453 OE1 GLU A 32 4.744 3.740 13.256 1.00 25.34 O ATOM 454 OE2 GLU A 32 5.859 3.678 11.363 1.00 21.13 O ATOM 0 H GLU A 32 1.128 0.533 13.055 1.00 4.41 H new ATOM 0 HA GLU A 32 1.833 1.212 10.393 1.00 11.11 H new ATOM 0 HB2 GLU A 32 1.755 2.744 12.395 1.00 4.13 H new ATOM 0 HB3 GLU A 32 3.187 1.948 13.017 1.00 4.13 H new ATOM 0 HG2 GLU A 32 3.802 2.684 10.346 1.00 21.02 H new ATOM 0 HG3 GLU A 32 2.970 4.059 11.046 1.00 21.02 H new ATOM 461 N GLY A 33 4.129 -0.405 12.155 1.00 44.34 N ATOM 462 CA GLY A 33 5.323 -1.219 12.016 1.00 34.15 C ATOM 463 C GLY A 33 5.080 -2.469 11.193 1.00 14.53 C ATOM 464 O GLY A 33 5.908 -2.845 10.365 1.00 54.53 O ATOM 0 H GLY A 33 3.814 -0.266 13.115 1.00 44.34 H new ATOM 0 HA2 GLY A 33 6.110 -0.627 11.549 1.00 34.15 H new ATOM 0 HA3 GLY A 33 5.683 -1.503 13.005 1.00 34.15 H new ATOM 468 N ASN A 34 3.941 -3.115 11.423 1.00 40.51 N ATOM 469 CA ASN A 34 3.592 -4.331 10.697 1.00 5.34 C ATOM 470 C ASN A 34 3.460 -4.054 9.203 1.00 42.40 C ATOM 471 O ASN A 34 4.105 -4.704 8.380 1.00 30.34 O ATOM 472 CB ASN A 34 2.285 -4.914 11.237 1.00 61.40 C ATOM 473 CG ASN A 34 2.274 -5.006 12.751 1.00 40.23 C ATOM 474 OD1 ASN A 34 2.038 -4.015 13.442 1.00 54.22 O ATOM 475 ND2 ASN A 34 2.531 -6.199 13.273 1.00 31.30 N ATOM 0 H ASN A 34 3.245 -2.817 12.106 1.00 40.51 H new ATOM 0 HA ASN A 34 4.393 -5.055 10.844 1.00 5.34 H new ATOM 0 HB2 ASN A 34 1.451 -4.295 10.907 1.00 61.40 H new ATOM 0 HB3 ASN A 34 2.131 -5.907 10.814 1.00 61.40 H new ATOM 0 HD21 ASN A 34 2.538 -6.322 14.286 1.00 31.30 H new ATOM 0 HD22 ASN A 34 2.721 -6.993 12.662 1.00 31.30 H new ATOM 482 N PHE A 35 2.620 -3.083 8.859 1.00 44.11 N ATOM 483 CA PHE A 35 2.403 -2.719 7.464 1.00 73.14 C ATOM 484 C PHE A 35 3.729 -2.457 6.756 1.00 23.45 C ATOM 485 O PHE A 35 3.908 -2.822 5.594 1.00 11.12 O ATOM 486 CB PHE A 35 1.509 -1.480 7.371 1.00 63.53 C ATOM 487 CG PHE A 35 1.291 -1.003 5.963 1.00 11.05 C ATOM 488 CD1 PHE A 35 0.906 -1.888 4.969 1.00 2.03 C ATOM 489 CD2 PHE A 35 1.471 0.331 5.635 1.00 61.02 C ATOM 490 CE1 PHE A 35 0.704 -1.452 3.673 1.00 1.24 C ATOM 491 CE2 PHE A 35 1.270 0.773 4.341 1.00 61.02 C ATOM 492 CZ PHE A 35 0.887 -0.120 3.359 1.00 43.43 C ATOM 0 H PHE A 35 2.079 -2.534 9.527 1.00 44.11 H new ATOM 0 HA PHE A 35 1.907 -3.555 6.970 1.00 73.14 H new ATOM 0 HB2 PHE A 35 0.543 -1.704 7.824 1.00 63.53 H new ATOM 0 HB3 PHE A 35 1.956 -0.675 7.954 1.00 63.53 H new ATOM 0 HD1 PHE A 35 0.762 -2.931 5.210 1.00 2.03 H new ATOM 0 HD2 PHE A 35 1.772 1.033 6.399 1.00 61.02 H new ATOM 0 HE1 PHE A 35 0.404 -2.152 2.907 1.00 1.24 H new ATOM 0 HE2 PHE A 35 1.412 1.816 4.098 1.00 61.02 H new ATOM 0 HZ PHE A 35 0.731 0.223 2.347 1.00 43.43 H new ATOM 502 N ARG A 36 4.656 -1.823 7.467 1.00 42.35 N ATOM 503 CA ARG A 36 5.966 -1.510 6.907 1.00 31.03 C ATOM 504 C ARG A 36 6.777 -2.782 6.679 1.00 42.02 C ATOM 505 O ARG A 36 7.438 -2.932 5.651 1.00 30.01 O ATOM 506 CB ARG A 36 6.729 -0.566 7.838 1.00 42.20 C ATOM 507 CG ARG A 36 6.008 0.746 8.099 1.00 10.34 C ATOM 508 CD ARG A 36 6.544 1.862 7.216 1.00 53.11 C ATOM 509 NE ARG A 36 7.481 2.724 7.931 1.00 63.12 N ATOM 510 CZ ARG A 36 7.810 3.946 7.528 1.00 51.24 C ATOM 511 NH1 ARG A 36 7.279 4.448 6.421 1.00 63.10 N ATOM 512 NH2 ARG A 36 8.671 4.670 8.232 1.00 34.43 N ATOM 0 H ARG A 36 4.525 -1.516 8.431 1.00 42.35 H new ATOM 0 HA ARG A 36 5.815 -1.018 5.946 1.00 31.03 H new ATOM 0 HB2 ARG A 36 6.904 -1.070 8.789 1.00 42.20 H new ATOM 0 HB3 ARG A 36 7.706 -0.354 7.405 1.00 42.20 H new ATOM 0 HG2 ARG A 36 4.941 0.618 7.918 1.00 10.34 H new ATOM 0 HG3 ARG A 36 6.122 1.023 9.147 1.00 10.34 H new ATOM 0 HD2 ARG A 36 7.040 1.430 6.347 1.00 53.11 H new ATOM 0 HD3 ARG A 36 5.713 2.461 6.844 1.00 53.11 H new ATOM 0 HE ARG A 36 7.906 2.368 8.787 1.00 63.12 H new ATOM 0 HH11 ARG A 36 6.616 3.895 5.877 1.00 63.10 H new ATOM 0 HH12 ARG A 36 7.533 5.387 6.114 1.00 63.10 H new ATOM 0 HH21 ARG A 36 9.081 4.288 9.084 1.00 34.43 H new ATOM 0 HH22 ARG A 36 8.922 5.608 7.921 1.00 34.43 H new ATOM 526 N TRP A 37 6.722 -3.693 7.643 1.00 22.50 N ATOM 527 CA TRP A 37 7.453 -4.952 7.547 1.00 35.40 C ATOM 528 C TRP A 37 7.022 -5.739 6.314 1.00 42.43 C ATOM 529 O TRP A 37 7.823 -6.452 5.711 1.00 42.05 O ATOM 530 CB TRP A 37 7.230 -5.792 8.806 1.00 72.22 C ATOM 531 CG TRP A 37 7.766 -7.187 8.692 1.00 74.23 C ATOM 532 CD1 TRP A 37 8.956 -7.650 9.176 1.00 73.31 C ATOM 533 CD2 TRP A 37 7.131 -8.299 8.051 1.00 61.23 C ATOM 534 NE1 TRP A 37 9.099 -8.983 8.875 1.00 62.24 N ATOM 535 CE2 TRP A 37 7.993 -9.405 8.185 1.00 21.15 C ATOM 536 CE3 TRP A 37 5.918 -8.469 7.378 1.00 1.11 C ATOM 537 CZ2 TRP A 37 7.679 -10.660 7.671 1.00 62.21 C ATOM 538 CZ3 TRP A 37 5.608 -9.715 6.868 1.00 61.13 C ATOM 539 CH2 TRP A 37 6.485 -10.798 7.017 1.00 41.31 C ATOM 0 H TRP A 37 6.179 -3.584 8.500 1.00 22.50 H new ATOM 0 HA TRP A 37 8.514 -4.721 7.455 1.00 35.40 H new ATOM 0 HB2 TRP A 37 7.704 -5.296 9.653 1.00 72.22 H new ATOM 0 HB3 TRP A 37 6.162 -5.837 9.020 1.00 72.22 H new ATOM 0 HD1 TRP A 37 9.678 -7.056 9.716 1.00 73.31 H new ATOM 0 HE1 TRP A 37 9.899 -9.564 9.125 1.00 62.24 H new ATOM 0 HE3 TRP A 37 5.235 -7.641 7.259 1.00 1.11 H new ATOM 0 HZ2 TRP A 37 8.354 -11.495 7.784 1.00 62.21 H new ATOM 0 HZ3 TRP A 37 4.674 -9.857 6.345 1.00 61.13 H new ATOM 0 HH2 TRP A 37 6.213 -11.760 6.608 1.00 41.31 H new ATOM 550 N ALA A 38 5.753 -5.603 5.944 1.00 72.20 N ATOM 551 CA ALA A 38 5.218 -6.300 4.781 1.00 55.42 C ATOM 552 C ALA A 38 5.706 -5.660 3.485 1.00 32.24 C ATOM 553 O ALA A 38 6.357 -6.311 2.668 1.00 72.52 O ATOM 554 CB ALA A 38 3.697 -6.310 4.826 1.00 73.42 C ATOM 0 H ALA A 38 5.076 -5.017 6.433 1.00 72.20 H new ATOM 0 HA ALA A 38 5.579 -7.328 4.806 1.00 55.42 H new ATOM 0 HB1 ALA A 38 3.311 -6.834 3.952 1.00 73.42 H new ATOM 0 HB2 ALA A 38 3.363 -6.819 5.730 1.00 73.42 H new ATOM 0 HB3 ALA A 38 3.326 -5.285 4.828 1.00 73.42 H new ATOM 560 N ILE A 39 5.387 -4.383 3.305 1.00 71.14 N ATOM 561 CA ILE A 39 5.794 -3.657 2.108 1.00 11.53 C ATOM 562 C ILE A 39 7.309 -3.681 1.939 1.00 22.02 C ATOM 563 O ILE A 39 7.818 -3.800 0.824 1.00 33.04 O ATOM 564 CB ILE A 39 5.317 -2.193 2.149 1.00 53.20 C ATOM 565 CG1 ILE A 39 5.789 -1.445 0.900 1.00 15.24 C ATOM 566 CG2 ILE A 39 5.824 -1.505 3.408 1.00 35.30 C ATOM 567 CD1 ILE A 39 4.961 -0.219 0.582 1.00 64.14 C ATOM 0 H ILE A 39 4.849 -3.830 3.972 1.00 71.14 H new ATOM 0 HA ILE A 39 5.328 -4.160 1.260 1.00 11.53 H new ATOM 0 HB ILE A 39 4.227 -2.182 2.167 1.00 53.20 H new ATOM 0 HG12 ILE A 39 6.828 -1.146 1.036 1.00 15.24 H new ATOM 0 HG13 ILE A 39 5.761 -2.124 0.047 1.00 15.24 H new ATOM 0 HG21 ILE A 39 5.478 -0.471 3.422 1.00 35.30 H new ATOM 0 HG22 ILE A 39 5.444 -2.027 4.286 1.00 35.30 H new ATOM 0 HG23 ILE A 39 6.914 -1.523 3.419 1.00 35.30 H new ATOM 0 HD11 ILE A 39 5.352 0.261 -0.315 1.00 64.14 H new ATOM 0 HD12 ILE A 39 3.925 -0.513 0.414 1.00 64.14 H new ATOM 0 HD13 ILE A 39 5.009 0.479 1.418 1.00 64.14 H new ATOM 579 N ARG A 40 8.025 -3.569 3.053 1.00 23.32 N ATOM 580 CA ARG A 40 9.483 -3.579 3.029 1.00 71.33 C ATOM 581 C ARG A 40 10.009 -4.917 2.516 1.00 51.43 C ATOM 582 O ARG A 40 10.780 -4.965 1.558 1.00 73.24 O ATOM 583 CB ARG A 40 10.040 -3.302 4.426 1.00 33.44 C ATOM 584 CG ARG A 40 11.556 -3.377 4.504 1.00 52.32 C ATOM 585 CD ARG A 40 12.115 -2.352 5.478 1.00 12.04 C ATOM 586 NE ARG A 40 13.148 -2.922 6.339 1.00 44.34 N ATOM 587 CZ ARG A 40 13.609 -2.322 7.431 1.00 54.43 C ATOM 588 NH1 ARG A 40 13.129 -1.140 7.794 1.00 30.21 N ATOM 589 NH2 ARG A 40 14.550 -2.904 8.162 1.00 4.32 N ATOM 0 H ARG A 40 7.619 -3.470 3.984 1.00 23.32 H new ATOM 0 HA ARG A 40 9.815 -2.793 2.351 1.00 71.33 H new ATOM 0 HB2 ARG A 40 9.717 -2.312 4.747 1.00 33.44 H new ATOM 0 HB3 ARG A 40 9.613 -4.019 5.127 1.00 33.44 H new ATOM 0 HG2 ARG A 40 11.856 -4.378 4.815 1.00 52.32 H new ATOM 0 HG3 ARG A 40 11.981 -3.210 3.514 1.00 52.32 H new ATOM 0 HD2 ARG A 40 12.530 -1.512 4.921 1.00 12.04 H new ATOM 0 HD3 ARG A 40 11.306 -1.958 6.094 1.00 12.04 H new ATOM 0 HE ARG A 40 13.537 -3.831 6.088 1.00 44.34 H new ATOM 0 HH11 ARG A 40 12.405 -0.690 7.234 1.00 30.21 H new ATOM 0 HH12 ARG A 40 13.484 -0.681 8.633 1.00 30.21 H new ATOM 0 HH21 ARG A 40 14.921 -3.813 7.886 1.00 4.32 H new ATOM 0 HH22 ARG A 40 14.903 -2.442 9.000 1.00 4.32 H new ATOM 603 N MET A 41 9.587 -5.999 3.161 1.00 61.32 N ATOM 604 CA MET A 41 10.015 -7.337 2.769 1.00 23.12 C ATOM 605 C MET A 41 9.565 -7.658 1.348 1.00 54.24 C ATOM 606 O MET A 41 10.374 -8.034 0.500 1.00 34.22 O ATOM 607 CB MET A 41 9.458 -8.379 3.741 1.00 73.13 C ATOM 608 CG MET A 41 10.157 -9.726 3.655 1.00 44.12 C ATOM 609 SD MET A 41 11.642 -9.803 4.675 1.00 64.55 S ATOM 610 CE MET A 41 11.297 -11.254 5.667 1.00 75.15 C ATOM 0 H MET A 41 8.950 -5.976 3.957 1.00 61.32 H new ATOM 0 HA MET A 41 11.104 -7.367 2.801 1.00 23.12 H new ATOM 0 HB2 MET A 41 9.545 -7.998 4.758 1.00 73.13 H new ATOM 0 HB3 MET A 41 8.395 -8.517 3.543 1.00 73.13 H new ATOM 0 HG2 MET A 41 9.466 -10.510 3.966 1.00 44.12 H new ATOM 0 HG3 MET A 41 10.423 -9.928 2.617 1.00 44.12 H new ATOM 0 HE1 MET A 41 12.127 -11.433 6.351 1.00 75.15 H new ATOM 0 HE2 MET A 41 10.383 -11.095 6.239 1.00 75.15 H new ATOM 0 HE3 MET A 41 11.171 -12.119 5.015 1.00 75.15 H new ATOM 620 N ALA A 42 8.269 -7.506 1.094 1.00 32.51 N ATOM 621 CA ALA A 42 7.712 -7.778 -0.225 1.00 73.41 C ATOM 622 C ALA A 42 8.434 -6.976 -1.302 1.00 52.11 C ATOM 623 O ALA A 42 8.590 -7.436 -2.432 1.00 71.12 O ATOM 624 CB ALA A 42 6.222 -7.469 -0.243 1.00 41.30 C ATOM 0 H ALA A 42 7.585 -7.196 1.785 1.00 32.51 H new ATOM 0 HA ALA A 42 7.855 -8.837 -0.441 1.00 73.41 H new ATOM 0 HB1 ALA A 42 5.819 -7.677 -1.234 1.00 41.30 H new ATOM 0 HB2 ALA A 42 5.713 -8.091 0.493 1.00 41.30 H new ATOM 0 HB3 ALA A 42 6.065 -6.418 -0.001 1.00 41.30 H new ATOM 630 N ASN A 43 8.872 -5.773 -0.944 1.00 34.23 N ATOM 631 CA ASN A 43 9.576 -4.906 -1.881 1.00 3.13 C ATOM 632 C ASN A 43 10.901 -5.531 -2.310 1.00 15.44 C ATOM 633 O ASN A 43 11.154 -5.719 -3.500 1.00 2.55 O ATOM 634 CB ASN A 43 9.827 -3.535 -1.249 1.00 61.03 C ATOM 635 CG ASN A 43 8.702 -2.557 -1.525 1.00 54.22 C ATOM 636 OD1 ASN A 43 7.993 -2.675 -2.525 1.00 13.13 O ATOM 637 ND2 ASN A 43 8.533 -1.583 -0.638 1.00 30.53 N ATOM 0 H ASN A 43 8.752 -5.377 -0.012 1.00 34.23 H new ATOM 0 HA ASN A 43 8.950 -4.782 -2.765 1.00 3.13 H new ATOM 0 HB2 ASN A 43 9.948 -3.651 -0.172 1.00 61.03 H new ATOM 0 HB3 ASN A 43 10.762 -3.127 -1.633 1.00 61.03 H new ATOM 0 HD21 ASN A 43 7.792 -0.895 -0.771 1.00 30.53 H new ATOM 0 HD22 ASN A 43 9.144 -1.523 0.177 1.00 30.53 H new ATOM 644 N VAL A 44 11.742 -5.851 -1.331 1.00 52.15 N ATOM 645 CA VAL A 44 13.039 -6.456 -1.607 1.00 24.13 C ATOM 646 C VAL A 44 12.882 -7.792 -2.324 1.00 74.01 C ATOM 647 O VAL A 44 13.681 -8.140 -3.194 1.00 14.44 O ATOM 648 CB VAL A 44 13.844 -6.673 -0.311 1.00 75.42 C ATOM 649 CG1 VAL A 44 15.223 -7.231 -0.626 1.00 43.31 C ATOM 650 CG2 VAL A 44 13.950 -5.374 0.473 1.00 24.53 C ATOM 0 H VAL A 44 11.548 -5.701 -0.341 1.00 52.15 H new ATOM 0 HA VAL A 44 13.580 -5.763 -2.251 1.00 24.13 H new ATOM 0 HB VAL A 44 13.318 -7.401 0.306 1.00 75.42 H new ATOM 0 HG11 VAL A 44 15.777 -7.378 0.301 1.00 43.31 H new ATOM 0 HG12 VAL A 44 15.120 -8.186 -1.142 1.00 43.31 H new ATOM 0 HG13 VAL A 44 15.762 -6.530 -1.264 1.00 43.31 H new ATOM 0 HG21 VAL A 44 14.522 -5.545 1.385 1.00 24.53 H new ATOM 0 HG22 VAL A 44 14.453 -4.622 -0.135 1.00 24.53 H new ATOM 0 HG23 VAL A 44 12.951 -5.022 0.731 1.00 24.53 H new ATOM 660 N SER A 45 11.845 -8.537 -1.954 1.00 61.41 N ATOM 661 CA SER A 45 11.584 -9.838 -2.560 1.00 53.20 C ATOM 662 C SER A 45 11.271 -9.692 -4.046 1.00 41.42 C ATOM 663 O SER A 45 11.494 -10.612 -4.834 1.00 2.23 O ATOM 664 CB SER A 45 10.420 -10.531 -1.848 1.00 63.03 C ATOM 665 OG SER A 45 10.132 -11.784 -2.444 1.00 54.12 O ATOM 0 H SER A 45 11.172 -8.262 -1.238 1.00 61.41 H new ATOM 0 HA SER A 45 12.481 -10.448 -2.454 1.00 53.20 H new ATOM 0 HB2 SER A 45 10.666 -10.673 -0.796 1.00 63.03 H new ATOM 0 HB3 SER A 45 9.536 -9.895 -1.886 1.00 63.03 H new ATOM 0 HG SER A 45 9.775 -12.395 -1.766 1.00 54.12 H new ATOM 671 N THR A 46 10.752 -8.527 -4.424 1.00 22.23 N ATOM 672 CA THR A 46 10.407 -8.259 -5.814 1.00 62.10 C ATOM 673 C THR A 46 11.540 -7.535 -6.532 1.00 23.00 C ATOM 674 O THR A 46 11.317 -6.838 -7.520 1.00 54.54 O ATOM 675 CB THR A 46 9.124 -7.414 -5.921 1.00 72.15 C ATOM 676 OG1 THR A 46 9.320 -6.143 -5.293 1.00 4.41 O ATOM 677 CG2 THR A 46 7.949 -8.130 -5.273 1.00 13.02 C ATOM 0 H THR A 46 10.562 -7.754 -3.786 1.00 22.23 H new ATOM 0 HA THR A 46 10.238 -9.225 -6.290 1.00 62.10 H new ATOM 0 HB THR A 46 8.901 -7.265 -6.977 1.00 72.15 H new ATOM 0 HG1 THR A 46 10.168 -6.148 -4.801 1.00 4.41 H new ATOM 0 HG21 THR A 46 7.054 -7.514 -5.361 1.00 13.02 H new ATOM 0 HG22 THR A 46 7.783 -9.084 -5.773 1.00 13.02 H new ATOM 0 HG23 THR A 46 8.166 -8.306 -4.219 1.00 13.02 H new ATOM 685 N GLY A 47 12.759 -7.706 -6.028 1.00 50.02 N ATOM 686 CA GLY A 47 13.910 -7.062 -6.635 1.00 35.41 C ATOM 687 C GLY A 47 13.711 -5.570 -6.815 1.00 63.50 C ATOM 688 O GLY A 47 14.290 -4.965 -7.718 1.00 33.23 O ATOM 0 H GLY A 47 12.970 -8.279 -5.211 1.00 50.02 H new ATOM 0 HA2 GLY A 47 14.789 -7.236 -6.015 1.00 35.41 H new ATOM 0 HA3 GLY A 47 14.109 -7.519 -7.605 1.00 35.41 H new ATOM 692 N ARG A 48 12.890 -4.976 -5.955 1.00 64.13 N ATOM 693 CA ARG A 48 12.615 -3.546 -6.026 1.00 21.23 C ATOM 694 C ARG A 48 13.284 -2.806 -4.871 1.00 63.21 C ATOM 695 O ARG A 48 13.364 -3.320 -3.756 1.00 10.01 O ATOM 696 CB ARG A 48 11.106 -3.294 -6.001 1.00 45.21 C ATOM 697 CG ARG A 48 10.421 -3.570 -7.329 1.00 41.34 C ATOM 698 CD ARG A 48 9.250 -2.627 -7.558 1.00 72.32 C ATOM 699 NE ARG A 48 8.908 -2.513 -8.973 1.00 52.34 N ATOM 700 CZ ARG A 48 7.797 -1.934 -9.417 1.00 23.14 C ATOM 701 NH1 ARG A 48 6.926 -1.420 -8.559 1.00 42.05 N ATOM 702 NH2 ARG A 48 7.556 -1.869 -10.720 1.00 5.41 N ATOM 0 H ARG A 48 12.404 -5.462 -5.202 1.00 64.13 H new ATOM 0 HA ARG A 48 13.025 -3.168 -6.963 1.00 21.23 H new ATOM 0 HB2 ARG A 48 10.654 -3.920 -5.232 1.00 45.21 H new ATOM 0 HB3 ARG A 48 10.924 -2.258 -5.716 1.00 45.21 H new ATOM 0 HG2 ARG A 48 11.141 -3.462 -8.140 1.00 41.34 H new ATOM 0 HG3 ARG A 48 10.069 -4.601 -7.351 1.00 41.34 H new ATOM 0 HD2 ARG A 48 8.383 -2.985 -7.003 1.00 72.32 H new ATOM 0 HD3 ARG A 48 9.496 -1.641 -7.164 1.00 72.32 H new ATOM 0 HE ARG A 48 9.557 -2.899 -9.658 1.00 52.34 H new ATOM 0 HH11 ARG A 48 7.108 -1.469 -7.557 1.00 42.05 H new ATOM 0 HH12 ARG A 48 6.074 -0.976 -8.902 1.00 42.05 H new ATOM 0 HH21 ARG A 48 8.224 -2.264 -11.382 1.00 5.41 H new ATOM 0 HH22 ARG A 48 6.703 -1.424 -11.059 1.00 5.41 H new ATOM 716 N GLU A 49 13.764 -1.598 -5.148 1.00 52.41 N ATOM 717 CA GLU A 49 14.427 -0.789 -4.132 1.00 42.55 C ATOM 718 C GLU A 49 13.560 -0.666 -2.883 1.00 23.34 C ATOM 719 O GLU A 49 12.349 -0.884 -2.913 1.00 30.53 O ATOM 720 CB GLU A 49 14.745 0.603 -4.684 1.00 73.23 C ATOM 721 CG GLU A 49 16.125 0.709 -5.310 1.00 61.14 C ATOM 722 CD GLU A 49 16.096 1.356 -6.682 1.00 33.44 C ATOM 723 OE1 GLU A 49 16.884 0.933 -7.553 1.00 71.22 O ATOM 724 OE2 GLU A 49 15.285 2.284 -6.883 1.00 45.10 O ATOM 0 H GLU A 49 13.706 -1.158 -6.067 1.00 52.41 H new ATOM 0 HA GLU A 49 15.358 -1.286 -3.860 1.00 42.55 H new ATOM 0 HB2 GLU A 49 13.996 0.869 -5.430 1.00 73.23 H new ATOM 0 HB3 GLU A 49 14.664 1.332 -3.877 1.00 73.23 H new ATOM 0 HG2 GLU A 49 16.774 1.288 -4.653 1.00 61.14 H new ATOM 0 HG3 GLU A 49 16.560 -0.287 -5.391 1.00 61.14 H new ATOM 731 N PRO A 50 14.194 -0.309 -1.756 1.00 25.52 N ATOM 732 CA PRO A 50 13.501 -0.150 -0.474 1.00 25.01 C ATOM 733 C PRO A 50 12.583 1.067 -0.459 1.00 3.32 C ATOM 734 O PRO A 50 11.702 1.182 0.392 1.00 70.31 O ATOM 735 CB PRO A 50 14.645 0.030 0.527 1.00 0.35 C ATOM 736 CG PRO A 50 15.772 0.577 -0.279 1.00 22.30 C ATOM 737 CD PRO A 50 15.637 -0.034 -1.647 1.00 12.44 C ATOM 0 HA PRO A 50 12.852 -0.998 -0.253 1.00 25.01 H new ATOM 0 HB2 PRO A 50 14.365 0.712 1.330 1.00 0.35 H new ATOM 0 HB3 PRO A 50 14.915 -0.917 0.994 1.00 0.35 H new ATOM 0 HG2 PRO A 50 15.723 1.665 -0.331 1.00 22.30 H new ATOM 0 HG3 PRO A 50 16.732 0.322 0.169 1.00 22.30 H new ATOM 0 HD2 PRO A 50 15.976 0.648 -2.427 1.00 12.44 H new ATOM 0 HD3 PRO A 50 16.228 -0.945 -1.741 1.00 12.44 H new ATOM 745 N GLY A 51 12.796 1.975 -1.407 1.00 12.22 N ATOM 746 CA GLY A 51 11.979 3.172 -1.484 1.00 53.12 C ATOM 747 C GLY A 51 10.723 2.964 -2.307 1.00 53.50 C ATOM 748 O GLY A 51 10.416 3.759 -3.196 1.00 4.20 O ATOM 0 H GLY A 51 13.519 1.903 -2.123 1.00 12.22 H new ATOM 0 HA2 GLY A 51 11.702 3.485 -0.477 1.00 53.12 H new ATOM 0 HA3 GLY A 51 12.565 3.981 -1.919 1.00 53.12 H new ATOM 752 N ASP A 52 9.995 1.893 -2.012 1.00 52.12 N ATOM 753 CA ASP A 52 8.765 1.583 -2.732 1.00 30.41 C ATOM 754 C ASP A 52 7.541 1.881 -1.871 1.00 25.31 C ATOM 755 O ASP A 52 7.121 1.050 -1.065 1.00 13.32 O ATOM 756 CB ASP A 52 8.757 0.115 -3.161 1.00 73.40 C ATOM 757 CG ASP A 52 9.042 -0.058 -4.640 1.00 0.20 C ATOM 758 OD1 ASP A 52 8.253 -0.747 -5.320 1.00 41.24 O ATOM 759 OD2 ASP A 52 10.054 0.497 -5.117 1.00 72.22 O ATOM 0 H ASP A 52 10.235 1.225 -1.280 1.00 52.12 H new ATOM 0 HA ASP A 52 8.724 2.214 -3.620 1.00 30.41 H new ATOM 0 HB2 ASP A 52 9.502 -0.433 -2.584 1.00 73.40 H new ATOM 0 HB3 ASP A 52 7.787 -0.323 -2.927 1.00 73.40 H new ATOM 764 N ILE A 53 6.976 3.070 -2.047 1.00 3.24 N ATOM 765 CA ILE A 53 5.802 3.477 -1.286 1.00 15.23 C ATOM 766 C ILE A 53 4.792 4.194 -2.175 1.00 54.23 C ATOM 767 O ILE A 53 4.626 5.412 -2.111 1.00 54.53 O ATOM 768 CB ILE A 53 6.182 4.400 -0.113 1.00 42.21 C ATOM 769 CG1 ILE A 53 7.133 5.500 -0.589 1.00 64.02 C ATOM 770 CG2 ILE A 53 6.816 3.594 1.011 1.00 11.40 C ATOM 771 CD1 ILE A 53 7.184 6.696 0.335 1.00 45.52 C ATOM 0 H ILE A 53 7.312 3.768 -2.710 1.00 3.24 H new ATOM 0 HA ILE A 53 5.353 2.566 -0.890 1.00 15.23 H new ATOM 0 HB ILE A 53 5.276 4.870 0.269 1.00 42.21 H new ATOM 0 HG12 ILE A 53 8.136 5.084 -0.688 1.00 64.02 H new ATOM 0 HG13 ILE A 53 6.826 5.830 -1.581 1.00 64.02 H new ATOM 0 HG21 ILE A 53 7.079 4.260 1.833 1.00 11.40 H new ATOM 0 HG22 ILE A 53 6.109 2.844 1.364 1.00 11.40 H new ATOM 0 HG23 ILE A 53 7.715 3.100 0.642 1.00 11.40 H new ATOM 0 HD11 ILE A 53 7.878 7.435 -0.065 1.00 45.52 H new ATOM 0 HD12 ILE A 53 6.190 7.137 0.415 1.00 45.52 H new ATOM 0 HD13 ILE A 53 7.521 6.379 1.322 1.00 45.52 H new ATOM 783 N PRO A 54 4.098 3.422 -3.025 1.00 64.00 N ATOM 784 CA PRO A 54 3.090 3.962 -3.943 1.00 25.54 C ATOM 785 C PRO A 54 1.843 4.448 -3.213 1.00 21.33 C ATOM 786 O PRO A 54 1.816 4.508 -1.984 1.00 23.31 O ATOM 787 CB PRO A 54 2.754 2.769 -4.841 1.00 34.43 C ATOM 788 CG PRO A 54 3.076 1.571 -4.016 1.00 34.42 C ATOM 789 CD PRO A 54 4.245 1.962 -3.155 1.00 54.50 C ATOM 0 HA PRO A 54 3.458 4.832 -4.487 1.00 25.54 H new ATOM 0 HB2 PRO A 54 1.704 2.777 -5.134 1.00 34.43 H new ATOM 0 HB3 PRO A 54 3.341 2.787 -5.759 1.00 34.43 H new ATOM 0 HG2 PRO A 54 2.222 1.277 -3.405 1.00 34.42 H new ATOM 0 HG3 PRO A 54 3.325 0.718 -4.647 1.00 34.42 H new ATOM 0 HD2 PRO A 54 4.213 1.467 -2.185 1.00 54.50 H new ATOM 0 HD3 PRO A 54 5.194 1.693 -3.619 1.00 54.50 H new ATOM 797 N GLU A 55 0.812 4.793 -3.978 1.00 2.24 N ATOM 798 CA GLU A 55 -0.438 5.274 -3.402 1.00 10.53 C ATOM 799 C GLU A 55 -1.601 5.056 -4.365 1.00 62.54 C ATOM 800 O GLU A 55 -2.447 5.932 -4.545 1.00 73.23 O ATOM 801 CB GLU A 55 -0.325 6.759 -3.050 1.00 52.43 C ATOM 802 CG GLU A 55 0.394 7.021 -1.738 1.00 2.31 C ATOM 803 CD GLU A 55 -0.229 8.155 -0.947 1.00 52.11 C ATOM 804 OE1 GLU A 55 0.169 9.319 -1.166 1.00 35.35 O ATOM 805 OE2 GLU A 55 -1.114 7.879 -0.110 1.00 41.32 O ATOM 0 H GLU A 55 0.818 4.748 -4.997 1.00 2.24 H new ATOM 0 HA GLU A 55 -0.631 4.706 -2.492 1.00 10.53 H new ATOM 0 HB2 GLU A 55 0.202 7.275 -3.853 1.00 52.43 H new ATOM 0 HB3 GLU A 55 -1.325 7.189 -2.998 1.00 52.43 H new ATOM 0 HG2 GLU A 55 0.383 6.113 -1.135 1.00 2.31 H new ATOM 0 HG3 GLU A 55 1.439 7.256 -1.941 1.00 2.31 H new ATOM 812 N THR A 56 -1.636 3.879 -4.984 1.00 44.43 N ATOM 813 CA THR A 56 -2.692 3.545 -5.931 1.00 20.42 C ATOM 814 C THR A 56 -3.047 2.064 -5.858 1.00 20.04 C ATOM 815 O THR A 56 -2.165 1.206 -5.802 1.00 33.44 O ATOM 816 CB THR A 56 -2.283 3.892 -7.375 1.00 14.23 C ATOM 817 OG1 THR A 56 -1.314 2.951 -7.849 1.00 41.34 O ATOM 818 CG2 THR A 56 -1.711 5.300 -7.451 1.00 75.34 C ATOM 0 H THR A 56 -0.945 3.142 -4.846 1.00 44.43 H new ATOM 0 HA THR A 56 -3.563 4.139 -5.655 1.00 20.42 H new ATOM 0 HB THR A 56 -3.172 3.844 -8.003 1.00 14.23 H new ATOM 0 HG1 THR A 56 -1.294 2.967 -8.829 1.00 41.34 H new ATOM 0 HG21 THR A 56 -1.429 5.523 -8.480 1.00 75.34 H new ATOM 0 HG22 THR A 56 -2.462 6.016 -7.117 1.00 75.34 H new ATOM 0 HG23 THR A 56 -0.832 5.371 -6.811 1.00 75.34 H new ATOM 826 N LEU A 57 -4.342 1.770 -5.859 1.00 55.30 N ATOM 827 CA LEU A 57 -4.815 0.392 -5.794 1.00 25.54 C ATOM 828 C LEU A 57 -4.148 -0.464 -6.866 1.00 5.11 C ATOM 829 O LEU A 57 -3.920 -1.658 -6.669 1.00 41.32 O ATOM 830 CB LEU A 57 -6.334 0.344 -5.959 1.00 75.33 C ATOM 831 CG LEU A 57 -6.956 -1.050 -6.048 1.00 34.41 C ATOM 832 CD1 LEU A 57 -7.787 -1.344 -4.808 1.00 62.22 C ATOM 833 CD2 LEU A 57 -7.807 -1.176 -7.304 1.00 24.23 C ATOM 0 H LEU A 57 -5.084 2.468 -5.904 1.00 55.30 H new ATOM 0 HA LEU A 57 -4.550 -0.011 -4.816 1.00 25.54 H new ATOM 0 HB2 LEU A 57 -6.787 0.869 -5.118 1.00 75.33 H new ATOM 0 HB3 LEU A 57 -6.599 0.896 -6.860 1.00 75.33 H new ATOM 0 HG LEU A 57 -6.151 -1.783 -6.104 1.00 34.41 H new ATOM 0 HD11 LEU A 57 -8.222 -2.340 -4.889 1.00 62.22 H new ATOM 0 HD12 LEU A 57 -7.151 -1.297 -3.924 1.00 62.22 H new ATOM 0 HD13 LEU A 57 -8.585 -0.606 -4.721 1.00 62.22 H new ATOM 0 HD21 LEU A 57 -8.241 -2.175 -7.350 1.00 24.23 H new ATOM 0 HD22 LEU A 57 -8.605 -0.434 -7.279 1.00 24.23 H new ATOM 0 HD23 LEU A 57 -7.185 -1.010 -8.183 1.00 24.23 H new ATOM 845 N ASP A 58 -3.835 0.155 -7.999 1.00 61.11 N ATOM 846 CA ASP A 58 -3.190 -0.549 -9.102 1.00 14.31 C ATOM 847 C ASP A 58 -1.779 -0.983 -8.719 1.00 0.41 C ATOM 848 O ASP A 58 -1.365 -2.104 -9.009 1.00 63.42 O ATOM 849 CB ASP A 58 -3.144 0.341 -10.345 1.00 52.01 C ATOM 850 CG ASP A 58 -4.359 0.158 -11.234 1.00 22.24 C ATOM 851 OD1 ASP A 58 -4.355 -0.780 -12.058 1.00 71.43 O ATOM 852 OD2 ASP A 58 -5.313 0.952 -11.104 1.00 35.01 O ATOM 0 H ASP A 58 -4.017 1.142 -8.178 1.00 61.11 H new ATOM 0 HA ASP A 58 -3.777 -1.440 -9.324 1.00 14.31 H new ATOM 0 HB2 ASP A 58 -3.076 1.385 -10.039 1.00 52.01 H new ATOM 0 HB3 ASP A 58 -2.243 0.117 -10.916 1.00 52.01 H new ATOM 857 N GLN A 59 -1.046 -0.086 -8.067 1.00 12.32 N ATOM 858 CA GLN A 59 0.319 -0.376 -7.646 1.00 64.12 C ATOM 859 C GLN A 59 0.347 -1.522 -6.641 1.00 22.53 C ATOM 860 O GLN A 59 1.232 -2.379 -6.684 1.00 13.33 O ATOM 861 CB GLN A 59 0.963 0.870 -7.035 1.00 60.20 C ATOM 862 CG GLN A 59 1.951 1.561 -7.961 1.00 21.40 C ATOM 863 CD GLN A 59 1.384 2.822 -8.583 1.00 24.41 C ATOM 864 OE1 GLN A 59 1.049 2.847 -9.767 1.00 71.25 O ATOM 865 NE2 GLN A 59 1.274 3.878 -7.785 1.00 62.53 N ATOM 0 H GLN A 59 -1.375 0.847 -7.819 1.00 12.32 H new ATOM 0 HA GLN A 59 0.888 -0.675 -8.526 1.00 64.12 H new ATOM 0 HB2 GLN A 59 0.179 1.576 -6.761 1.00 60.20 H new ATOM 0 HB3 GLN A 59 1.475 0.590 -6.115 1.00 60.20 H new ATOM 0 HG2 GLN A 59 2.853 1.810 -7.403 1.00 21.40 H new ATOM 0 HG3 GLN A 59 2.246 0.871 -8.752 1.00 21.40 H new ATOM 0 HE21 GLN A 59 1.564 3.812 -6.809 1.00 62.53 H new ATOM 0 HE22 GLN A 59 0.899 4.755 -8.148 1.00 62.53 H new ATOM 874 N LEU A 60 -0.626 -1.533 -5.736 1.00 63.02 N ATOM 875 CA LEU A 60 -0.713 -2.575 -4.719 1.00 0.34 C ATOM 876 C LEU A 60 -1.016 -3.929 -5.351 1.00 32.43 C ATOM 877 O LEU A 60 -0.249 -4.881 -5.201 1.00 15.21 O ATOM 878 CB LEU A 60 -1.793 -2.224 -3.693 1.00 62.34 C ATOM 879 CG LEU A 60 -1.355 -1.324 -2.538 1.00 45.51 C ATOM 880 CD1 LEU A 60 -2.425 -0.287 -2.234 1.00 44.41 C ATOM 881 CD2 LEU A 60 -1.048 -2.154 -1.301 1.00 25.52 C ATOM 0 H LEU A 60 -1.365 -0.832 -5.686 1.00 63.02 H new ATOM 0 HA LEU A 60 0.251 -2.639 -4.215 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -2.617 -1.737 -4.215 1.00 62.34 H new ATOM 0 HB3 LEU A 60 -2.185 -3.152 -3.276 1.00 62.34 H new ATOM 0 HG LEU A 60 -0.446 -0.802 -2.835 1.00 45.51 H new ATOM 0 HD11 LEU A 60 -2.096 0.345 -1.409 1.00 44.41 H new ATOM 0 HD12 LEU A 60 -2.596 0.329 -3.117 1.00 44.41 H new ATOM 0 HD13 LEU A 60 -3.352 -0.790 -1.958 1.00 44.41 H new ATOM 0 HD21 LEU A 60 -0.738 -1.496 -0.489 1.00 25.52 H new ATOM 0 HD22 LEU A 60 -1.940 -2.704 -1.001 1.00 25.52 H new ATOM 0 HD23 LEU A 60 -0.246 -2.857 -1.525 1.00 25.52 H new ATOM 893 N ARG A 61 -2.138 -4.008 -6.059 1.00 61.21 N ATOM 894 CA ARG A 61 -2.542 -5.246 -6.715 1.00 62.00 C ATOM 895 C ARG A 61 -1.416 -5.791 -7.589 1.00 4.13 C ATOM 896 O ARG A 61 -1.285 -7.003 -7.768 1.00 11.51 O ATOM 897 CB ARG A 61 -3.793 -5.014 -7.564 1.00 12.43 C ATOM 898 CG ARG A 61 -4.302 -6.268 -8.254 1.00 74.23 C ATOM 899 CD ARG A 61 -5.064 -5.933 -9.527 1.00 64.44 C ATOM 900 NE ARG A 61 -4.184 -5.412 -10.570 1.00 61.21 N ATOM 901 CZ ARG A 61 -4.545 -5.289 -11.842 1.00 52.44 C ATOM 902 NH1 ARG A 61 -5.762 -5.646 -12.227 1.00 75.41 N ATOM 903 NH2 ARG A 61 -3.688 -4.806 -12.733 1.00 11.42 N ATOM 0 H ARG A 61 -2.783 -3.230 -6.193 1.00 61.21 H new ATOM 0 HA ARG A 61 -2.767 -5.980 -5.941 1.00 62.00 H new ATOM 0 HB2 ARG A 61 -4.583 -4.613 -6.929 1.00 12.43 H new ATOM 0 HB3 ARG A 61 -3.575 -4.258 -8.318 1.00 12.43 H new ATOM 0 HG2 ARG A 61 -3.462 -6.920 -8.493 1.00 74.23 H new ATOM 0 HG3 ARG A 61 -4.951 -6.820 -7.575 1.00 74.23 H new ATOM 0 HD2 ARG A 61 -5.570 -6.827 -9.892 1.00 64.44 H new ATOM 0 HD3 ARG A 61 -5.837 -5.198 -9.304 1.00 64.44 H new ATOM 0 HE ARG A 61 -3.241 -5.127 -10.307 1.00 61.21 H new ATOM 0 HH11 ARG A 61 -6.424 -6.016 -11.545 1.00 75.41 H new ATOM 0 HH12 ARG A 61 -6.036 -5.550 -13.205 1.00 75.41 H new ATOM 0 HH21 ARG A 61 -2.751 -4.529 -12.441 1.00 11.42 H new ATOM 0 HH22 ARG A 61 -3.967 -4.712 -13.710 1.00 11.42 H new ATOM 917 N LEU A 62 -0.605 -4.889 -8.130 1.00 50.45 N ATOM 918 CA LEU A 62 0.510 -5.278 -8.986 1.00 64.23 C ATOM 919 C LEU A 62 1.601 -5.972 -8.177 1.00 21.41 C ATOM 920 O LEU A 62 2.117 -7.016 -8.578 1.00 2.24 O ATOM 921 CB LEU A 62 1.088 -4.052 -9.695 1.00 13.41 C ATOM 922 CG LEU A 62 0.593 -3.805 -11.120 1.00 73.15 C ATOM 923 CD1 LEU A 62 1.104 -2.470 -11.640 1.00 35.14 C ATOM 924 CD2 LEU A 62 1.027 -4.938 -12.039 1.00 54.01 C ATOM 0 H LEU A 62 -0.699 -3.883 -7.991 1.00 50.45 H new ATOM 0 HA LEU A 62 0.135 -5.978 -9.732 1.00 64.23 H new ATOM 0 HB2 LEU A 62 0.862 -3.170 -9.095 1.00 13.41 H new ATOM 0 HB3 LEU A 62 2.173 -4.150 -9.721 1.00 13.41 H new ATOM 0 HG LEU A 62 -0.496 -3.772 -11.105 1.00 73.15 H new ATOM 0 HD11 LEU A 62 0.741 -2.312 -12.656 1.00 35.14 H new ATOM 0 HD12 LEU A 62 0.744 -1.667 -10.997 1.00 35.14 H new ATOM 0 HD13 LEU A 62 2.194 -2.473 -11.641 1.00 35.14 H new ATOM 0 HD21 LEU A 62 0.666 -4.746 -13.049 1.00 54.01 H new ATOM 0 HD22 LEU A 62 2.115 -5.002 -12.049 1.00 54.01 H new ATOM 0 HD23 LEU A 62 0.611 -5.879 -11.678 1.00 54.01 H new ATOM 936 N VAL A 63 1.946 -5.387 -7.034 1.00 62.24 N ATOM 937 CA VAL A 63 2.973 -5.951 -6.166 1.00 41.14 C ATOM 938 C VAL A 63 2.601 -7.360 -5.718 1.00 12.54 C ATOM 939 O VAL A 63 3.462 -8.231 -5.596 1.00 61.11 O ATOM 940 CB VAL A 63 3.202 -5.071 -4.923 1.00 33.42 C ATOM 941 CG1 VAL A 63 4.258 -5.688 -4.019 1.00 62.40 C ATOM 942 CG2 VAL A 63 3.597 -3.661 -5.334 1.00 24.14 C ATOM 0 H VAL A 63 1.529 -4.523 -6.688 1.00 62.24 H new ATOM 0 HA VAL A 63 3.894 -5.990 -6.748 1.00 41.14 H new ATOM 0 HB VAL A 63 2.269 -5.013 -4.363 1.00 33.42 H new ATOM 0 HG11 VAL A 63 4.406 -5.052 -3.146 1.00 62.40 H new ATOM 0 HG12 VAL A 63 3.929 -6.676 -3.697 1.00 62.40 H new ATOM 0 HG13 VAL A 63 5.197 -5.779 -4.565 1.00 62.40 H new ATOM 0 HG21 VAL A 63 3.755 -3.053 -4.443 1.00 24.14 H new ATOM 0 HG22 VAL A 63 4.517 -3.696 -5.917 1.00 24.14 H new ATOM 0 HG23 VAL A 63 2.802 -3.222 -5.937 1.00 24.14 H new ATOM 952 N ILE A 64 1.313 -7.576 -5.473 1.00 53.53 N ATOM 953 CA ILE A 64 0.826 -8.879 -5.040 1.00 21.25 C ATOM 954 C ILE A 64 1.034 -9.932 -6.123 1.00 54.11 C ATOM 955 O ILE A 64 1.676 -10.957 -5.892 1.00 72.20 O ATOM 956 CB ILE A 64 -0.668 -8.828 -4.669 1.00 1.20 C ATOM 957 CG1 ILE A 64 -0.914 -7.763 -3.598 1.00 43.12 C ATOM 958 CG2 ILE A 64 -1.141 -10.191 -4.187 1.00 12.23 C ATOM 959 CD1 ILE A 64 -0.104 -7.975 -2.338 1.00 53.10 C ATOM 0 H ILE A 64 0.588 -6.865 -5.567 1.00 53.53 H new ATOM 0 HA ILE A 64 1.402 -9.152 -4.156 1.00 21.25 H new ATOM 0 HB ILE A 64 -1.239 -8.561 -5.558 1.00 1.20 H new ATOM 0 HG12 ILE A 64 -0.678 -6.782 -4.011 1.00 43.12 H new ATOM 0 HG13 ILE A 64 -1.973 -7.755 -3.342 1.00 43.12 H new ATOM 0 HG21 ILE A 64 -2.199 -10.139 -3.929 1.00 12.23 H new ATOM 0 HG22 ILE A 64 -0.997 -10.927 -4.978 1.00 12.23 H new ATOM 0 HG23 ILE A 64 -0.567 -10.486 -3.308 1.00 12.23 H new ATOM 0 HD11 ILE A 64 -0.329 -7.183 -1.623 1.00 53.10 H new ATOM 0 HD12 ILE A 64 -0.357 -8.941 -1.901 1.00 53.10 H new ATOM 0 HD13 ILE A 64 0.958 -7.954 -2.581 1.00 53.10 H new ATOM 971 N CYS A 65 0.488 -9.671 -7.306 1.00 11.13 N ATOM 972 CA CYS A 65 0.614 -10.596 -8.427 1.00 10.42 C ATOM 973 C CYS A 65 2.074 -10.968 -8.663 1.00 30.33 C ATOM 974 O CYS A 65 2.385 -12.106 -9.015 1.00 45.02 O ATOM 975 CB CYS A 65 0.022 -9.977 -9.694 1.00 33.21 C ATOM 976 SG CYS A 65 -1.772 -10.160 -9.836 1.00 4.43 S ATOM 0 H CYS A 65 -0.046 -8.827 -7.514 1.00 11.13 H new ATOM 0 HA CYS A 65 0.062 -11.503 -8.182 1.00 10.42 H new ATOM 0 HB2 CYS A 65 0.271 -8.916 -9.718 1.00 33.21 H new ATOM 0 HB3 CYS A 65 0.493 -10.435 -10.564 1.00 33.21 H new ATOM 0 HG CYS A 65 -2.179 -9.603 -10.938 1.00 4.43 H new ATOM 982 N ASP A 66 2.965 -10.002 -8.467 1.00 74.24 N ATOM 983 CA ASP A 66 4.392 -10.228 -8.659 1.00 64.24 C ATOM 984 C ASP A 66 4.939 -11.180 -7.600 1.00 2.11 C ATOM 985 O ASP A 66 5.460 -12.249 -7.920 1.00 32.40 O ATOM 986 CB ASP A 66 5.152 -8.901 -8.612 1.00 35.35 C ATOM 987 CG ASP A 66 4.591 -7.878 -9.580 1.00 62.41 C ATOM 988 OD1 ASP A 66 4.947 -6.687 -9.457 1.00 71.43 O ATOM 989 OD2 ASP A 66 3.798 -8.269 -10.461 1.00 74.04 O ATOM 0 H ASP A 66 2.724 -9.055 -8.175 1.00 74.24 H new ATOM 0 HA ASP A 66 4.534 -10.684 -9.639 1.00 64.24 H new ATOM 0 HB2 ASP A 66 5.113 -8.499 -7.600 1.00 35.35 H new ATOM 0 HB3 ASP A 66 6.202 -9.079 -8.844 1.00 35.35 H new ATOM 994 N LEU A 67 4.819 -10.784 -6.338 1.00 12.23 N ATOM 995 CA LEU A 67 5.302 -11.601 -5.230 1.00 11.10 C ATOM 996 C LEU A 67 4.693 -12.999 -5.278 1.00 51.42 C ATOM 997 O LEU A 67 5.367 -13.989 -4.998 1.00 63.23 O ATOM 998 CB LEU A 67 4.969 -10.933 -3.895 1.00 21.14 C ATOM 999 CG LEU A 67 5.860 -11.316 -2.712 1.00 51.23 C ATOM 1000 CD1 LEU A 67 7.312 -10.973 -3.006 1.00 24.54 C ATOM 1001 CD2 LEU A 67 5.391 -10.618 -1.444 1.00 23.23 C ATOM 0 H LEU A 67 4.391 -9.902 -6.056 1.00 12.23 H new ATOM 0 HA LEU A 67 6.384 -11.693 -5.324 1.00 11.10 H new ATOM 0 HB2 LEU A 67 5.022 -9.853 -4.029 1.00 21.14 H new ATOM 0 HB3 LEU A 67 3.937 -11.172 -3.639 1.00 21.14 H new ATOM 0 HG LEU A 67 5.786 -12.393 -2.558 1.00 51.23 H new ATOM 0 HD11 LEU A 67 7.932 -11.252 -2.154 1.00 24.54 H new ATOM 0 HD12 LEU A 67 7.643 -11.519 -3.890 1.00 24.54 H new ATOM 0 HD13 LEU A 67 7.404 -9.902 -3.186 1.00 24.54 H new ATOM 0 HD21 LEU A 67 6.036 -10.902 -0.613 1.00 23.23 H new ATOM 0 HD22 LEU A 67 5.435 -9.538 -1.585 1.00 23.23 H new ATOM 0 HD23 LEU A 67 4.365 -10.913 -1.224 1.00 23.23 H new ATOM 1013 N GLN A 68 3.415 -13.070 -5.637 1.00 41.40 N ATOM 1014 CA GLN A 68 2.716 -14.346 -5.723 1.00 63.55 C ATOM 1015 C GLN A 68 3.347 -15.241 -6.785 1.00 61.51 C ATOM 1016 O GLN A 68 3.553 -16.434 -6.562 1.00 3.23 O ATOM 1017 CB GLN A 68 1.237 -14.122 -6.042 1.00 42.21 C ATOM 1018 CG GLN A 68 0.347 -14.089 -4.810 1.00 25.41 C ATOM 1019 CD GLN A 68 -0.021 -15.476 -4.320 1.00 14.22 C ATOM 1020 OE1 GLN A 68 0.782 -16.406 -4.392 1.00 32.41 O ATOM 1021 NE2 GLN A 68 -1.242 -15.621 -3.817 1.00 42.01 N ATOM 0 H GLN A 68 2.843 -12.259 -5.873 1.00 41.40 H new ATOM 0 HA GLN A 68 2.800 -14.843 -4.757 1.00 63.55 H new ATOM 0 HB2 GLN A 68 1.129 -13.182 -6.583 1.00 42.21 H new ATOM 0 HB3 GLN A 68 0.893 -14.914 -6.707 1.00 42.21 H new ATOM 0 HG2 GLN A 68 0.857 -13.549 -4.012 1.00 25.41 H new ATOM 0 HG3 GLN A 68 -0.563 -13.535 -5.039 1.00 25.41 H new ATOM 0 HE21 GLN A 68 -1.875 -14.822 -3.777 1.00 42.01 H new ATOM 0 HE22 GLN A 68 -1.546 -16.531 -3.471 1.00 42.01 H new ATOM 1030 N GLU A 69 3.651 -14.658 -7.940 1.00 55.43 N ATOM 1031 CA GLU A 69 4.257 -15.404 -9.037 1.00 13.15 C ATOM 1032 C GLU A 69 5.576 -16.036 -8.601 1.00 13.42 C ATOM 1033 O GLU A 69 5.829 -17.212 -8.861 1.00 34.10 O ATOM 1034 CB GLU A 69 4.490 -14.487 -10.239 1.00 64.22 C ATOM 1035 CG GLU A 69 5.209 -15.167 -11.392 1.00 70.34 C ATOM 1036 CD GLU A 69 4.614 -14.812 -12.741 1.00 60.22 C ATOM 1037 OE1 GLU A 69 5.193 -13.950 -13.436 1.00 33.43 O ATOM 1038 OE2 GLU A 69 3.571 -15.395 -13.102 1.00 75.21 O ATOM 0 H GLU A 69 3.488 -13.671 -8.141 1.00 55.43 H new ATOM 0 HA GLU A 69 3.570 -16.200 -9.325 1.00 13.15 H new ATOM 0 HB2 GLU A 69 3.529 -14.112 -10.591 1.00 64.22 H new ATOM 0 HB3 GLU A 69 5.071 -13.622 -9.919 1.00 64.22 H new ATOM 0 HG2 GLU A 69 6.261 -14.883 -11.377 1.00 70.34 H new ATOM 0 HG3 GLU A 69 5.168 -16.247 -11.254 1.00 70.34 H new ATOM 1045 N ARG A 70 6.413 -15.245 -7.937 1.00 72.10 N ATOM 1046 CA ARG A 70 7.706 -15.725 -7.467 1.00 24.54 C ATOM 1047 C ARG A 70 7.531 -16.796 -6.394 1.00 24.33 C ATOM 1048 O ARG A 70 8.019 -17.918 -6.537 1.00 14.22 O ATOM 1049 CB ARG A 70 8.535 -14.565 -6.913 1.00 51.42 C ATOM 1050 CG ARG A 70 10.014 -14.657 -7.251 1.00 1.23 C ATOM 1051 CD ARG A 70 10.881 -14.228 -6.077 1.00 70.21 C ATOM 1052 NE ARG A 70 10.963 -15.264 -5.050 1.00 51.53 N ATOM 1053 CZ ARG A 70 11.869 -15.265 -4.079 1.00 61.21 C ATOM 1054 NH1 ARG A 70 12.765 -14.291 -4.002 1.00 64.35 N ATOM 1055 NH2 ARG A 70 11.879 -16.242 -3.181 1.00 64.44 N ATOM 0 H ARG A 70 6.218 -14.269 -7.713 1.00 72.10 H new ATOM 0 HA ARG A 70 8.231 -16.165 -8.315 1.00 24.54 H new ATOM 0 HB2 ARG A 70 8.139 -13.628 -7.304 1.00 51.42 H new ATOM 0 HB3 ARG A 70 8.420 -14.532 -5.830 1.00 51.42 H new ATOM 0 HG2 ARG A 70 10.261 -15.681 -7.532 1.00 1.23 H new ATOM 0 HG3 ARG A 70 10.231 -14.028 -8.114 1.00 1.23 H new ATOM 0 HD2 ARG A 70 11.883 -13.991 -6.434 1.00 70.21 H new ATOM 0 HD3 ARG A 70 10.474 -13.316 -5.640 1.00 70.21 H new ATOM 0 HE ARG A 70 10.288 -16.028 -5.080 1.00 51.53 H new ATOM 0 HH11 ARG A 70 12.760 -13.538 -4.690 1.00 64.35 H new ATOM 0 HH12 ARG A 70 13.459 -14.295 -3.255 1.00 64.35 H new ATOM 0 HH21 ARG A 70 11.191 -16.993 -3.236 1.00 64.44 H new ATOM 0 HH22 ARG A 70 12.575 -16.242 -2.435 1.00 64.44 H new ATOM 1069 N ARG A 71 6.833 -16.442 -5.320 1.00 4.03 N ATOM 1070 CA ARG A 71 6.596 -17.372 -4.222 1.00 53.31 C ATOM 1071 C ARG A 71 5.902 -18.636 -4.721 1.00 14.30 C ATOM 1072 O ARG A 71 6.001 -19.695 -4.102 1.00 51.51 O ATOM 1073 CB ARG A 71 5.748 -16.706 -3.136 1.00 70.24 C ATOM 1074 CG ARG A 71 6.457 -16.587 -1.797 1.00 62.43 C ATOM 1075 CD ARG A 71 6.935 -17.942 -1.298 1.00 43.11 C ATOM 1076 NE ARG A 71 8.377 -18.107 -1.460 1.00 3.12 N ATOM 1077 CZ ARG A 71 9.006 -19.268 -1.310 1.00 54.30 C ATOM 1078 NH1 ARG A 71 8.322 -20.360 -0.997 1.00 51.23 N ATOM 1079 NH2 ARG A 71 10.320 -19.338 -1.474 1.00 5.22 N ATOM 0 H ARG A 71 6.422 -15.518 -5.187 1.00 4.03 H new ATOM 0 HA ARG A 71 7.561 -17.651 -3.800 1.00 53.31 H new ATOM 0 HB2 ARG A 71 5.457 -15.711 -3.473 1.00 70.24 H new ATOM 0 HB3 ARG A 71 4.830 -17.278 -3.002 1.00 70.24 H new ATOM 0 HG2 ARG A 71 7.308 -15.912 -1.893 1.00 62.43 H new ATOM 0 HG3 ARG A 71 5.782 -16.146 -1.064 1.00 62.43 H new ATOM 0 HD2 ARG A 71 6.673 -18.054 -0.246 1.00 43.11 H new ATOM 0 HD3 ARG A 71 6.416 -18.732 -1.841 1.00 43.11 H new ATOM 0 HE ARG A 71 8.932 -17.286 -1.702 1.00 3.12 H new ATOM 0 HH11 ARG A 71 7.311 -20.310 -0.871 1.00 51.23 H new ATOM 0 HH12 ARG A 71 8.807 -21.250 -0.882 1.00 51.23 H new ATOM 0 HH21 ARG A 71 10.849 -18.500 -1.716 1.00 5.22 H new ATOM 0 HH22 ARG A 71 10.802 -20.230 -1.359 1.00 5.22 H new ATOM 1093 N GLU A 72 5.199 -18.515 -5.843 1.00 61.42 N ATOM 1094 CA GLU A 72 4.488 -19.648 -6.423 1.00 72.34 C ATOM 1095 C GLU A 72 5.466 -20.668 -7.000 1.00 2.32 C ATOM 1096 O GLU A 72 5.489 -21.827 -6.586 1.00 74.11 O ATOM 1097 CB GLU A 72 3.529 -19.171 -7.516 1.00 74.40 C ATOM 1098 CG GLU A 72 2.885 -20.304 -8.297 1.00 75.25 C ATOM 1099 CD GLU A 72 1.541 -19.917 -8.885 1.00 63.42 C ATOM 1100 OE1 GLU A 72 1.239 -18.706 -8.927 1.00 21.34 O ATOM 1101 OE2 GLU A 72 0.792 -20.825 -9.303 1.00 45.03 O ATOM 0 H GLU A 72 5.107 -17.645 -6.368 1.00 61.42 H new ATOM 0 HA GLU A 72 3.915 -20.128 -5.630 1.00 72.34 H new ATOM 0 HB2 GLU A 72 2.746 -18.564 -7.061 1.00 74.40 H new ATOM 0 HB3 GLU A 72 4.071 -18.526 -8.208 1.00 74.40 H new ATOM 0 HG2 GLU A 72 3.554 -20.612 -9.101 1.00 75.25 H new ATOM 0 HG3 GLU A 72 2.756 -21.165 -7.641 1.00 75.25 H new ATOM 1108 N LYS A 73 6.274 -20.227 -7.958 1.00 60.13 N ATOM 1109 CA LYS A 73 7.256 -21.099 -8.593 1.00 11.43 C ATOM 1110 C LYS A 73 8.222 -21.672 -7.561 1.00 11.23 C ATOM 1111 O LYS A 73 8.796 -22.742 -7.761 1.00 23.33 O ATOM 1112 CB LYS A 73 8.034 -20.330 -9.664 1.00 33.45 C ATOM 1113 CG LYS A 73 7.563 -20.616 -11.079 1.00 43.23 C ATOM 1114 CD LYS A 73 8.597 -21.410 -11.861 1.00 13.41 C ATOM 1115 CE LYS A 73 8.163 -21.621 -13.303 1.00 51.23 C ATOM 1116 NZ LYS A 73 7.771 -23.034 -13.564 1.00 2.25 N ATOM 0 H LYS A 73 6.268 -19.270 -8.312 1.00 60.13 H new ATOM 0 HA LYS A 73 6.722 -21.925 -9.063 1.00 11.43 H new ATOM 0 HB2 LYS A 73 7.945 -19.261 -9.469 1.00 33.45 H new ATOM 0 HB3 LYS A 73 9.092 -20.581 -9.584 1.00 33.45 H new ATOM 0 HG2 LYS A 73 6.625 -21.171 -11.046 1.00 43.23 H new ATOM 0 HG3 LYS A 73 7.360 -19.676 -11.593 1.00 43.23 H new ATOM 0 HD2 LYS A 73 9.552 -20.885 -11.840 1.00 13.41 H new ATOM 0 HD3 LYS A 73 8.754 -22.376 -11.382 1.00 13.41 H new ATOM 0 HE2 LYS A 73 7.323 -20.964 -13.529 1.00 51.23 H new ATOM 0 HE3 LYS A 73 8.977 -21.341 -13.972 1.00 51.23 H new ATOM 0 HZ1 LYS A 73 7.482 -23.136 -14.558 1.00 2.25 H new ATOM 0 HZ2 LYS A 73 8.579 -23.660 -13.373 1.00 2.25 H new ATOM 0 HZ3 LYS A 73 6.978 -23.294 -12.944 1.00 2.25 H new ATOM 1130 N PHE A 74 8.395 -20.953 -6.456 1.00 64.53 N ATOM 1131 CA PHE A 74 9.292 -21.391 -5.392 1.00 74.34 C ATOM 1132 C PHE A 74 8.564 -22.303 -4.409 1.00 15.44 C ATOM 1133 O PHE A 74 9.179 -23.139 -3.748 1.00 55.32 O ATOM 1134 CB PHE A 74 9.869 -20.182 -4.654 1.00 23.45 C ATOM 1135 CG PHE A 74 11.010 -19.526 -5.378 1.00 32.13 C ATOM 1136 CD1 PHE A 74 12.250 -19.399 -4.773 1.00 41.24 C ATOM 1137 CD2 PHE A 74 10.841 -19.036 -6.663 1.00 4.13 C ATOM 1138 CE1 PHE A 74 13.302 -18.796 -5.437 1.00 51.21 C ATOM 1139 CE2 PHE A 74 11.890 -18.432 -7.332 1.00 34.45 C ATOM 1140 CZ PHE A 74 13.121 -18.311 -6.718 1.00 11.05 C ATOM 0 H PHE A 74 7.926 -20.065 -6.274 1.00 64.53 H new ATOM 0 HA PHE A 74 10.108 -21.954 -5.846 1.00 74.34 H new ATOM 0 HB2 PHE A 74 9.077 -19.449 -4.500 1.00 23.45 H new ATOM 0 HB3 PHE A 74 10.208 -20.497 -3.667 1.00 23.45 H new ATOM 0 HD1 PHE A 74 12.396 -19.775 -3.771 1.00 41.24 H new ATOM 0 HD2 PHE A 74 9.880 -19.127 -7.147 1.00 4.13 H new ATOM 0 HE1 PHE A 74 14.264 -18.704 -4.955 1.00 51.21 H new ATOM 0 HE2 PHE A 74 11.747 -18.055 -8.334 1.00 34.45 H new ATOM 0 HZ PHE A 74 13.941 -17.838 -7.238 1.00 11.05 H new ATOM 1150 N GLY A 75 7.248 -22.133 -4.317 1.00 31.34 N ATOM 1151 CA GLY A 75 6.457 -22.946 -3.411 1.00 71.21 C ATOM 1152 C GLY A 75 5.516 -22.117 -2.559 1.00 64.22 C ATOM 1153 O GLY A 75 4.515 -21.598 -3.053 1.00 22.51 O ATOM 0 H GLY A 75 6.716 -21.447 -4.853 1.00 31.34 H new ATOM 0 HA2 GLY A 75 5.879 -23.669 -3.987 1.00 71.21 H new ATOM 0 HA3 GLY A 75 7.123 -23.515 -2.763 1.00 71.21 H new ATOM 1157 N SER A 76 5.837 -21.993 -1.275 1.00 63.13 N ATOM 1158 CA SER A 76 5.010 -21.226 -0.351 1.00 43.13 C ATOM 1159 C SER A 76 5.779 -20.903 0.926 1.00 23.23 C ATOM 1160 O SER A 76 6.466 -21.759 1.483 1.00 25.22 O ATOM 1161 CB SER A 76 3.736 -22.000 -0.011 1.00 74.31 C ATOM 1162 OG SER A 76 3.890 -23.382 -0.286 1.00 14.03 O ATOM 0 H SER A 76 6.664 -22.414 -0.851 1.00 63.13 H new ATOM 0 HA SER A 76 4.738 -20.289 -0.837 1.00 43.13 H new ATOM 0 HB2 SER A 76 3.492 -21.861 1.042 1.00 74.31 H new ATOM 0 HB3 SER A 76 2.900 -21.602 -0.587 1.00 74.31 H new ATOM 0 HG SER A 76 3.062 -23.855 -0.059 1.00 14.03 H new ATOM 1168 N SER A 77 5.658 -19.662 1.385 1.00 52.40 N ATOM 1169 CA SER A 77 6.344 -19.223 2.595 1.00 72.13 C ATOM 1170 C SER A 77 5.434 -18.343 3.446 1.00 2.23 C ATOM 1171 O SER A 77 4.859 -17.370 2.959 1.00 15.53 O ATOM 1172 CB SER A 77 7.620 -18.460 2.235 1.00 53.45 C ATOM 1173 OG SER A 77 7.433 -17.061 2.370 1.00 73.54 O ATOM 0 H SER A 77 5.091 -18.942 0.937 1.00 52.40 H new ATOM 0 HA SER A 77 6.610 -20.108 3.174 1.00 72.13 H new ATOM 0 HB2 SER A 77 8.436 -18.785 2.880 1.00 53.45 H new ATOM 0 HB3 SER A 77 7.911 -18.694 1.211 1.00 53.45 H new ATOM 0 HG SER A 77 8.187 -16.676 2.864 1.00 73.54 H new ATOM 1179 N LYS A 78 5.309 -18.692 4.722 1.00 21.12 N ATOM 1180 CA LYS A 78 4.471 -17.935 5.645 1.00 61.04 C ATOM 1181 C LYS A 78 4.874 -16.464 5.663 1.00 21.04 C ATOM 1182 O LYS A 78 4.023 -15.578 5.598 1.00 1.32 O ATOM 1183 CB LYS A 78 4.572 -18.520 7.055 1.00 73.40 C ATOM 1184 CG LYS A 78 5.999 -18.665 7.553 1.00 23.01 C ATOM 1185 CD LYS A 78 6.057 -19.424 8.868 1.00 13.34 C ATOM 1186 CE LYS A 78 5.747 -20.900 8.674 1.00 22.22 C ATOM 1187 NZ LYS A 78 6.794 -21.770 9.278 1.00 32.41 N ATOM 0 H LYS A 78 5.778 -19.495 5.141 1.00 21.12 H new ATOM 0 HA LYS A 78 3.439 -18.007 5.302 1.00 61.04 H new ATOM 0 HB2 LYS A 78 4.019 -17.882 7.744 1.00 73.40 H new ATOM 0 HB3 LYS A 78 4.090 -19.498 7.069 1.00 73.40 H new ATOM 0 HG2 LYS A 78 6.595 -19.187 6.804 1.00 23.01 H new ATOM 0 HG3 LYS A 78 6.442 -17.678 7.682 1.00 23.01 H new ATOM 0 HD2 LYS A 78 7.048 -19.314 9.309 1.00 13.34 H new ATOM 0 HD3 LYS A 78 5.345 -18.991 9.571 1.00 13.34 H new ATOM 0 HE2 LYS A 78 4.780 -21.130 9.122 1.00 22.22 H new ATOM 0 HE3 LYS A 78 5.664 -21.117 7.609 1.00 22.22 H new ATOM 0 HZ1 LYS A 78 6.547 -22.768 9.125 1.00 32.41 H new ATOM 0 HZ2 LYS A 78 7.712 -21.569 8.833 1.00 32.41 H new ATOM 0 HZ3 LYS A 78 6.856 -21.581 10.299 1.00 32.41 H new ATOM 1201 N GLU A 79 6.177 -16.213 5.751 1.00 14.15 N ATOM 1202 CA GLU A 79 6.691 -14.849 5.778 1.00 53.41 C ATOM 1203 C GLU A 79 6.158 -14.043 4.596 1.00 22.50 C ATOM 1204 O GLU A 79 5.328 -13.150 4.764 1.00 34.11 O ATOM 1205 CB GLU A 79 8.221 -14.856 5.756 1.00 14.12 C ATOM 1206 CG GLU A 79 8.847 -15.199 7.097 1.00 32.05 C ATOM 1207 CD GLU A 79 10.132 -15.991 6.956 1.00 43.43 C ATOM 1208 OE1 GLU A 79 11.175 -15.377 6.645 1.00 11.02 O ATOM 1209 OE2 GLU A 79 10.096 -17.223 7.155 1.00 41.32 O ATOM 0 H GLU A 79 6.895 -16.936 5.805 1.00 14.15 H new ATOM 0 HA GLU A 79 6.350 -14.378 6.700 1.00 53.41 H new ATOM 0 HB2 GLU A 79 8.562 -15.575 5.011 1.00 14.12 H new ATOM 0 HB3 GLU A 79 8.576 -13.875 5.439 1.00 14.12 H new ATOM 0 HG2 GLU A 79 9.050 -14.279 7.645 1.00 32.05 H new ATOM 0 HG3 GLU A 79 8.135 -15.772 7.690 1.00 32.05 H new ATOM 1216 N ILE A 80 6.643 -14.366 3.402 1.00 73.33 N ATOM 1217 CA ILE A 80 6.216 -13.674 2.192 1.00 34.11 C ATOM 1218 C ILE A 80 4.695 -13.662 2.073 1.00 24.31 C ATOM 1219 O ILE A 80 4.102 -12.663 1.668 1.00 10.41 O ATOM 1220 CB ILE A 80 6.813 -14.325 0.930 1.00 10.24 C ATOM 1221 CG1 ILE A 80 8.341 -14.319 1.002 1.00 23.10 C ATOM 1222 CG2 ILE A 80 6.333 -13.599 -0.318 1.00 20.24 C ATOM 1223 CD1 ILE A 80 9.005 -14.956 -0.199 1.00 31.22 C ATOM 0 H ILE A 80 7.332 -15.102 3.246 1.00 73.33 H new ATOM 0 HA ILE A 80 6.580 -12.650 2.269 1.00 34.11 H new ATOM 0 HB ILE A 80 6.474 -15.360 0.877 1.00 10.24 H new ATOM 0 HG12 ILE A 80 8.688 -13.290 1.096 1.00 23.10 H new ATOM 0 HG13 ILE A 80 8.656 -14.845 1.903 1.00 23.10 H new ATOM 0 HG21 ILE A 80 6.763 -14.071 -1.201 1.00 20.24 H new ATOM 0 HG22 ILE A 80 5.246 -13.650 -0.373 1.00 20.24 H new ATOM 0 HG23 ILE A 80 6.646 -12.556 -0.275 1.00 20.24 H new ATOM 0 HD11 ILE A 80 10.088 -14.916 -0.080 1.00 31.22 H new ATOM 0 HD12 ILE A 80 8.687 -15.995 -0.282 1.00 31.22 H new ATOM 0 HD13 ILE A 80 8.719 -14.416 -1.102 1.00 31.22 H new ATOM 1235 N ASP A 81 4.071 -14.779 2.430 1.00 20.04 N ATOM 1236 CA ASP A 81 2.619 -14.897 2.367 1.00 51.12 C ATOM 1237 C ASP A 81 1.948 -13.805 3.194 1.00 2.40 C ATOM 1238 O ASP A 81 1.016 -13.147 2.733 1.00 72.45 O ATOM 1239 CB ASP A 81 2.175 -16.274 2.863 1.00 64.24 C ATOM 1240 CG ASP A 81 0.671 -16.452 2.810 1.00 53.31 C ATOM 1241 OD1 ASP A 81 0.076 -16.163 1.750 1.00 13.13 O ATOM 1242 OD2 ASP A 81 0.088 -16.880 3.828 1.00 63.23 O ATOM 0 H ASP A 81 4.548 -15.616 2.766 1.00 20.04 H new ATOM 0 HA ASP A 81 2.315 -14.779 1.327 1.00 51.12 H new ATOM 0 HB2 ASP A 81 2.651 -17.046 2.258 1.00 64.24 H new ATOM 0 HB3 ASP A 81 2.519 -16.416 3.888 1.00 64.24 H new ATOM 1247 N MET A 82 2.429 -13.618 4.419 1.00 41.42 N ATOM 1248 CA MET A 82 1.876 -12.605 5.310 1.00 12.32 C ATOM 1249 C MET A 82 1.990 -11.215 4.691 1.00 34.23 C ATOM 1250 O MET A 82 1.023 -10.453 4.672 1.00 64.43 O ATOM 1251 CB MET A 82 2.595 -12.635 6.660 1.00 31.02 C ATOM 1252 CG MET A 82 1.722 -12.193 7.824 1.00 43.34 C ATOM 1253 SD MET A 82 1.559 -13.464 9.092 1.00 2.20 S ATOM 1254 CE MET A 82 0.117 -14.347 8.503 1.00 72.13 C ATOM 0 H MET A 82 3.200 -14.154 4.817 1.00 41.42 H new ATOM 0 HA MET A 82 0.820 -12.830 5.463 1.00 12.32 H new ATOM 0 HB2 MET A 82 2.953 -13.647 6.849 1.00 31.02 H new ATOM 0 HB3 MET A 82 3.472 -11.990 6.609 1.00 31.02 H new ATOM 0 HG2 MET A 82 2.146 -11.293 8.270 1.00 43.34 H new ATOM 0 HG3 MET A 82 0.733 -11.928 7.451 1.00 43.34 H new ATOM 0 HE1 MET A 82 -0.111 -15.167 9.184 1.00 72.13 H new ATOM 0 HE2 MET A 82 -0.733 -13.666 8.457 1.00 72.13 H new ATOM 0 HE3 MET A 82 0.316 -14.747 7.509 1.00 72.13 H new ATOM 1264 N ALA A 83 3.176 -10.892 4.187 1.00 21.13 N ATOM 1265 CA ALA A 83 3.415 -9.595 3.567 1.00 71.14 C ATOM 1266 C ALA A 83 2.381 -9.306 2.483 1.00 24.42 C ATOM 1267 O ALA A 83 1.899 -8.180 2.357 1.00 62.44 O ATOM 1268 CB ALA A 83 4.820 -9.538 2.986 1.00 24.45 C ATOM 0 H ALA A 83 3.987 -11.511 4.196 1.00 21.13 H new ATOM 0 HA ALA A 83 3.321 -8.829 4.337 1.00 71.14 H new ATOM 0 HB1 ALA A 83 4.984 -8.563 2.526 1.00 24.45 H new ATOM 0 HB2 ALA A 83 5.549 -9.691 3.782 1.00 24.45 H new ATOM 0 HB3 ALA A 83 4.934 -10.318 2.233 1.00 24.45 H new ATOM 1274 N ILE A 84 2.046 -10.329 1.704 1.00 23.21 N ATOM 1275 CA ILE A 84 1.070 -10.184 0.632 1.00 75.31 C ATOM 1276 C ILE A 84 -0.301 -9.807 1.184 1.00 30.41 C ATOM 1277 O ILE A 84 -0.895 -8.811 0.773 1.00 54.20 O ATOM 1278 CB ILE A 84 0.941 -11.480 -0.191 1.00 55.31 C ATOM 1279 CG1 ILE A 84 2.290 -11.856 -0.805 1.00 64.13 C ATOM 1280 CG2 ILE A 84 -0.114 -11.315 -1.276 1.00 23.34 C ATOM 1281 CD1 ILE A 84 2.408 -13.324 -1.152 1.00 41.43 C ATOM 0 H ILE A 84 2.436 -11.267 1.795 1.00 23.21 H new ATOM 0 HA ILE A 84 1.430 -9.385 -0.017 1.00 75.31 H new ATOM 0 HB ILE A 84 0.628 -12.286 0.473 1.00 55.31 H new ATOM 0 HG12 ILE A 84 2.447 -11.264 -1.707 1.00 64.13 H new ATOM 0 HG13 ILE A 84 3.084 -11.591 -0.107 1.00 64.13 H new ATOM 0 HG21 ILE A 84 -0.194 -12.239 -1.849 1.00 23.34 H new ATOM 0 HG22 ILE A 84 -1.076 -11.089 -0.817 1.00 23.34 H new ATOM 0 HG23 ILE A 84 0.172 -10.499 -1.940 1.00 23.34 H new ATOM 0 HD11 ILE A 84 3.390 -13.518 -1.583 1.00 41.43 H new ATOM 0 HD12 ILE A 84 2.283 -13.922 -0.250 1.00 41.43 H new ATOM 0 HD13 ILE A 84 1.636 -13.590 -1.874 1.00 41.43 H new ATOM 1293 N VAL A 85 -0.797 -10.611 2.120 1.00 52.51 N ATOM 1294 CA VAL A 85 -2.097 -10.360 2.732 1.00 62.24 C ATOM 1295 C VAL A 85 -2.144 -8.980 3.376 1.00 1.45 C ATOM 1296 O VAL A 85 -3.209 -8.373 3.496 1.00 71.12 O ATOM 1297 CB VAL A 85 -2.431 -11.423 3.795 1.00 23.11 C ATOM 1298 CG1 VAL A 85 -3.860 -11.256 4.287 1.00 11.44 C ATOM 1299 CG2 VAL A 85 -2.210 -12.821 3.238 1.00 75.32 C ATOM 0 H VAL A 85 -0.319 -11.441 2.471 1.00 52.51 H new ATOM 0 HA VAL A 85 -2.838 -10.410 1.934 1.00 62.24 H new ATOM 0 HB VAL A 85 -1.762 -11.285 4.644 1.00 23.11 H new ATOM 0 HG11 VAL A 85 -4.078 -12.016 5.037 1.00 11.44 H new ATOM 0 HG12 VAL A 85 -3.980 -10.266 4.728 1.00 11.44 H new ATOM 0 HG13 VAL A 85 -4.548 -11.366 3.449 1.00 11.44 H new ATOM 0 HG21 VAL A 85 -2.451 -13.560 4.003 1.00 75.32 H new ATOM 0 HG22 VAL A 85 -2.853 -12.973 2.371 1.00 75.32 H new ATOM 0 HG23 VAL A 85 -1.167 -12.934 2.940 1.00 75.32 H new ATOM 1309 N THR A 86 -0.981 -8.486 3.791 1.00 32.24 N ATOM 1310 CA THR A 86 -0.889 -7.177 4.425 1.00 1.01 C ATOM 1311 C THR A 86 -1.169 -6.061 3.425 1.00 34.20 C ATOM 1312 O THR A 86 -2.003 -5.189 3.671 1.00 55.45 O ATOM 1313 CB THR A 86 0.500 -6.953 5.051 1.00 4.51 C ATOM 1314 OG1 THR A 86 0.840 -8.056 5.898 1.00 65.34 O ATOM 1315 CG2 THR A 86 0.529 -5.662 5.856 1.00 2.00 C ATOM 0 H THR A 86 -0.090 -8.973 3.699 1.00 32.24 H new ATOM 0 HA THR A 86 -1.643 -7.153 5.212 1.00 1.01 H new ATOM 0 HB THR A 86 1.229 -6.877 4.244 1.00 4.51 H new ATOM 0 HG1 THR A 86 0.564 -7.860 6.818 1.00 65.34 H new ATOM 0 HG21 THR A 86 1.520 -5.525 6.289 1.00 2.00 H new ATOM 0 HG22 THR A 86 0.299 -4.820 5.203 1.00 2.00 H new ATOM 0 HG23 THR A 86 -0.211 -5.714 6.654 1.00 2.00 H new ATOM 1323 N LEU A 87 -0.469 -6.095 2.297 1.00 50.42 N ATOM 1324 CA LEU A 87 -0.643 -5.085 1.258 1.00 75.52 C ATOM 1325 C LEU A 87 -2.049 -5.148 0.669 1.00 50.14 C ATOM 1326 O LEU A 87 -2.563 -4.155 0.153 1.00 2.22 O ATOM 1327 CB LEU A 87 0.395 -5.280 0.151 1.00 12.43 C ATOM 1328 CG LEU A 87 1.858 -5.263 0.594 1.00 43.22 C ATOM 1329 CD1 LEU A 87 2.763 -5.732 -0.535 1.00 52.54 C ATOM 1330 CD2 LEU A 87 2.259 -3.870 1.058 1.00 63.14 C ATOM 0 H LEU A 87 0.224 -6.810 2.078 1.00 50.42 H new ATOM 0 HA LEU A 87 -0.502 -4.104 1.711 1.00 75.52 H new ATOM 0 HB2 LEU A 87 0.196 -6.231 -0.342 1.00 12.43 H new ATOM 0 HB3 LEU A 87 0.253 -4.498 -0.595 1.00 12.43 H new ATOM 0 HG LEU A 87 1.972 -5.950 1.433 1.00 43.22 H new ATOM 0 HD11 LEU A 87 3.801 -5.713 -0.201 1.00 52.54 H new ATOM 0 HD12 LEU A 87 2.492 -6.748 -0.820 1.00 52.54 H new ATOM 0 HD13 LEU A 87 2.646 -5.071 -1.394 1.00 52.54 H new ATOM 0 HD21 LEU A 87 3.303 -3.877 1.370 1.00 63.14 H new ATOM 0 HD22 LEU A 87 2.129 -3.162 0.239 1.00 63.14 H new ATOM 0 HD23 LEU A 87 1.632 -3.572 1.898 1.00 63.14 H new ATOM 1342 N LYS A 88 -2.667 -6.321 0.750 1.00 35.11 N ATOM 1343 CA LYS A 88 -4.015 -6.514 0.229 1.00 54.24 C ATOM 1344 C LYS A 88 -5.038 -5.756 1.070 1.00 63.04 C ATOM 1345 O LYS A 88 -5.722 -4.860 0.575 1.00 44.12 O ATOM 1346 CB LYS A 88 -4.366 -8.003 0.201 1.00 64.31 C ATOM 1347 CG LYS A 88 -4.627 -8.541 -1.195 1.00 44.04 C ATOM 1348 CD LYS A 88 -3.474 -9.401 -1.686 1.00 72.03 C ATOM 1349 CE LYS A 88 -3.401 -10.719 -0.930 1.00 42.14 C ATOM 1350 NZ LYS A 88 -3.305 -11.883 -1.854 1.00 22.33 N ATOM 0 H LYS A 88 -2.255 -7.153 1.172 1.00 35.11 H new ATOM 0 HA LYS A 88 -4.043 -6.121 -0.787 1.00 54.24 H new ATOM 0 HB2 LYS A 88 -3.551 -8.568 0.652 1.00 64.31 H new ATOM 0 HB3 LYS A 88 -5.250 -8.171 0.817 1.00 64.31 H new ATOM 0 HG2 LYS A 88 -5.545 -9.128 -1.194 1.00 44.04 H new ATOM 0 HG3 LYS A 88 -4.781 -7.710 -1.883 1.00 44.04 H new ATOM 0 HD2 LYS A 88 -3.593 -9.598 -2.751 1.00 72.03 H new ATOM 0 HD3 LYS A 88 -2.536 -8.858 -1.565 1.00 72.03 H new ATOM 0 HE2 LYS A 88 -2.536 -10.710 -0.266 1.00 42.14 H new ATOM 0 HE3 LYS A 88 -4.285 -10.826 -0.301 1.00 42.14 H new ATOM 0 HZ1 LYS A 88 -3.088 -12.742 -1.309 1.00 22.33 H new ATOM 0 HZ2 LYS A 88 -4.210 -12.008 -2.351 1.00 22.33 H new ATOM 0 HZ3 LYS A 88 -2.550 -11.714 -2.549 1.00 22.33 H new ATOM 1364 N VAL A 89 -5.136 -6.121 2.344 1.00 3.52 N ATOM 1365 CA VAL A 89 -6.073 -5.473 3.255 1.00 64.14 C ATOM 1366 C VAL A 89 -5.866 -3.963 3.273 1.00 0.23 C ATOM 1367 O VAL A 89 -6.826 -3.195 3.334 1.00 52.41 O ATOM 1368 CB VAL A 89 -5.929 -6.018 4.688 1.00 13.32 C ATOM 1369 CG1 VAL A 89 -4.493 -5.883 5.169 1.00 24.54 C ATOM 1370 CG2 VAL A 89 -6.885 -5.299 5.629 1.00 44.33 C ATOM 0 H VAL A 89 -4.578 -6.862 2.769 1.00 3.52 H new ATOM 0 HA VAL A 89 -7.076 -5.694 2.889 1.00 64.14 H new ATOM 0 HB VAL A 89 -6.187 -7.077 4.683 1.00 13.32 H new ATOM 0 HG11 VAL A 89 -4.411 -6.273 6.183 1.00 24.54 H new ATOM 0 HG12 VAL A 89 -3.834 -6.447 4.509 1.00 24.54 H new ATOM 0 HG13 VAL A 89 -4.204 -4.832 5.160 1.00 24.54 H new ATOM 0 HG21 VAL A 89 -6.770 -5.696 6.638 1.00 44.33 H new ATOM 0 HG22 VAL A 89 -6.660 -4.233 5.631 1.00 44.33 H new ATOM 0 HG23 VAL A 89 -7.910 -5.453 5.293 1.00 44.33 H new ATOM 1380 N PHE A 90 -4.606 -3.543 3.220 1.00 13.23 N ATOM 1381 CA PHE A 90 -4.273 -2.123 3.232 1.00 64.34 C ATOM 1382 C PHE A 90 -4.763 -1.439 1.959 1.00 61.12 C ATOM 1383 O PHE A 90 -5.198 -0.289 1.988 1.00 15.42 O ATOM 1384 CB PHE A 90 -2.761 -1.934 3.376 1.00 71.10 C ATOM 1385 CG PHE A 90 -2.314 -0.513 3.188 1.00 52.42 C ATOM 1386 CD1 PHE A 90 -2.207 0.343 4.272 1.00 10.21 C ATOM 1387 CD2 PHE A 90 -2.002 -0.032 1.926 1.00 2.13 C ATOM 1388 CE1 PHE A 90 -1.796 1.652 4.102 1.00 23.15 C ATOM 1389 CE2 PHE A 90 -1.590 1.275 1.751 1.00 44.54 C ATOM 1390 CZ PHE A 90 -1.488 2.119 2.840 1.00 64.22 C ATOM 0 H PHE A 90 -3.799 -4.165 3.168 1.00 13.23 H new ATOM 0 HA PHE A 90 -4.773 -1.665 4.085 1.00 64.34 H new ATOM 0 HB2 PHE A 90 -2.453 -2.276 4.364 1.00 71.10 H new ATOM 0 HB3 PHE A 90 -2.253 -2.566 2.647 1.00 71.10 H new ATOM 0 HD1 PHE A 90 -2.448 -0.017 5.262 1.00 10.21 H new ATOM 0 HD2 PHE A 90 -2.082 -0.686 1.070 1.00 2.13 H new ATOM 0 HE1 PHE A 90 -1.716 2.309 4.956 1.00 23.15 H new ATOM 0 HE2 PHE A 90 -1.348 1.637 0.763 1.00 44.54 H new ATOM 0 HZ PHE A 90 -1.168 3.142 2.704 1.00 64.22 H new ATOM 1400 N ALA A 91 -4.688 -2.156 0.842 1.00 24.03 N ATOM 1401 CA ALA A 91 -5.125 -1.620 -0.441 1.00 5.23 C ATOM 1402 C ALA A 91 -6.629 -1.373 -0.449 1.00 33.31 C ATOM 1403 O ALA A 91 -7.088 -0.282 -0.788 1.00 30.23 O ATOM 1404 CB ALA A 91 -4.737 -2.566 -1.568 1.00 4.43 C ATOM 0 H ALA A 91 -4.329 -3.110 0.800 1.00 24.03 H new ATOM 0 HA ALA A 91 -4.626 -0.664 -0.596 1.00 5.23 H new ATOM 0 HB1 ALA A 91 -5.070 -2.153 -2.520 1.00 4.43 H new ATOM 0 HB2 ALA A 91 -3.654 -2.688 -1.584 1.00 4.43 H new ATOM 0 HB3 ALA A 91 -5.209 -3.535 -1.408 1.00 4.43 H new ATOM 1410 N VAL A 92 -7.394 -2.394 -0.074 1.00 63.33 N ATOM 1411 CA VAL A 92 -8.847 -2.288 -0.038 1.00 74.02 C ATOM 1412 C VAL A 92 -9.303 -1.365 1.086 1.00 12.40 C ATOM 1413 O VAL A 92 -10.017 -0.390 0.852 1.00 41.04 O ATOM 1414 CB VAL A 92 -9.507 -3.668 0.147 1.00 44.25 C ATOM 1415 CG1 VAL A 92 -11.022 -3.548 0.087 1.00 22.11 C ATOM 1416 CG2 VAL A 92 -8.999 -4.645 -0.903 1.00 52.01 C ATOM 0 H VAL A 92 -7.031 -3.304 0.209 1.00 63.33 H new ATOM 0 HA VAL A 92 -9.157 -1.871 -0.996 1.00 74.02 H new ATOM 0 HB VAL A 92 -9.236 -4.053 1.130 1.00 44.25 H new ATOM 0 HG11 VAL A 92 -11.471 -4.533 0.220 1.00 22.11 H new ATOM 0 HG12 VAL A 92 -11.366 -2.883 0.879 1.00 22.11 H new ATOM 0 HG13 VAL A 92 -11.317 -3.142 -0.881 1.00 22.11 H new ATOM 0 HG21 VAL A 92 -9.475 -5.615 -0.758 1.00 52.01 H new ATOM 0 HG22 VAL A 92 -9.239 -4.268 -1.897 1.00 52.01 H new ATOM 0 HG23 VAL A 92 -7.919 -4.753 -0.807 1.00 52.01 H new ATOM 1426 N ALA A 93 -8.885 -1.678 2.308 1.00 72.20 N ATOM 1427 CA ALA A 93 -9.248 -0.875 3.469 1.00 32.20 C ATOM 1428 C ALA A 93 -8.662 0.529 3.370 1.00 13.21 C ATOM 1429 O ALA A 93 -9.072 1.436 4.094 1.00 22.41 O ATOM 1430 CB ALA A 93 -8.782 -1.555 4.748 1.00 64.13 C ATOM 0 H ALA A 93 -8.294 -2.482 2.520 1.00 72.20 H new ATOM 0 HA ALA A 93 -10.334 -0.786 3.493 1.00 32.20 H new ATOM 0 HB1 ALA A 93 -9.060 -0.944 5.607 1.00 64.13 H new ATOM 0 HB2 ALA A 93 -9.253 -2.534 4.832 1.00 64.13 H new ATOM 0 HB3 ALA A 93 -7.699 -1.674 4.723 1.00 64.13 H new ATOM 1436 N GLY A 94 -7.700 0.702 2.469 1.00 40.01 N ATOM 1437 CA GLY A 94 -7.073 1.999 2.293 1.00 63.21 C ATOM 1438 C GLY A 94 -7.672 2.781 1.141 1.00 13.45 C ATOM 1439 O GLY A 94 -8.386 3.763 1.353 1.00 61.11 O ATOM 0 H GLY A 94 -7.344 -0.033 1.858 1.00 40.01 H new ATOM 0 HA2 GLY A 94 -7.175 2.576 3.212 1.00 63.21 H new ATOM 0 HA3 GLY A 94 -6.006 1.863 2.119 1.00 63.21 H new ATOM 1443 N LEU A 95 -7.382 2.349 -0.080 1.00 61.44 N ATOM 1444 CA LEU A 95 -7.896 3.017 -1.271 1.00 72.40 C ATOM 1445 C LEU A 95 -9.421 3.007 -1.285 1.00 34.22 C ATOM 1446 O LEU A 95 -10.057 4.019 -1.582 1.00 41.22 O ATOM 1447 CB LEU A 95 -7.359 2.338 -2.533 1.00 0.45 C ATOM 1448 CG LEU A 95 -5.900 2.632 -2.883 1.00 22.23 C ATOM 1449 CD1 LEU A 95 -5.660 4.132 -2.956 1.00 25.31 C ATOM 1450 CD2 LEU A 95 -4.968 1.989 -1.866 1.00 3.53 C ATOM 0 H LEU A 95 -6.793 1.539 -0.272 1.00 61.44 H new ATOM 0 HA LEU A 95 -7.557 4.053 -1.251 1.00 72.40 H new ATOM 0 HB2 LEU A 95 -7.474 1.260 -2.419 1.00 0.45 H new ATOM 0 HB3 LEU A 95 -7.982 2.638 -3.376 1.00 0.45 H new ATOM 0 HG LEU A 95 -5.688 2.203 -3.862 1.00 22.23 H new ATOM 0 HD11 LEU A 95 -4.616 4.322 -3.206 1.00 25.31 H new ATOM 0 HD12 LEU A 95 -6.302 4.566 -3.723 1.00 25.31 H new ATOM 0 HD13 LEU A 95 -5.890 4.585 -1.991 1.00 25.31 H new ATOM 0 HD21 LEU A 95 -3.934 2.208 -2.131 1.00 3.53 H new ATOM 0 HD22 LEU A 95 -5.181 2.388 -0.874 1.00 3.53 H new ATOM 0 HD23 LEU A 95 -5.121 0.910 -1.864 1.00 3.53 H new ATOM 1462 N LEU A 96 -10.003 1.858 -0.959 1.00 73.24 N ATOM 1463 CA LEU A 96 -11.455 1.716 -0.932 1.00 10.21 C ATOM 1464 C LEU A 96 -12.014 2.102 0.434 1.00 61.30 C ATOM 1465 O LEU A 96 -13.225 2.081 0.648 1.00 12.31 O ATOM 1466 CB LEU A 96 -11.853 0.279 -1.272 1.00 35.04 C ATOM 1467 CG LEU A 96 -12.620 0.087 -2.581 1.00 20.54 C ATOM 1468 CD1 LEU A 96 -12.334 -1.286 -3.170 1.00 33.13 C ATOM 1469 CD2 LEU A 96 -14.114 0.272 -2.356 1.00 44.34 C ATOM 0 H LEU A 96 -9.492 1.011 -0.710 1.00 73.24 H new ATOM 0 HA LEU A 96 -11.876 2.389 -1.679 1.00 10.21 H new ATOM 0 HB2 LEU A 96 -10.948 -0.328 -1.312 1.00 35.04 H new ATOM 0 HB3 LEU A 96 -12.462 -0.111 -0.457 1.00 35.04 H new ATOM 0 HG LEU A 96 -12.284 0.842 -3.291 1.00 20.54 H new ATOM 0 HD11 LEU A 96 -12.888 -1.405 -4.101 1.00 33.13 H new ATOM 0 HD12 LEU A 96 -11.266 -1.382 -3.368 1.00 33.13 H new ATOM 0 HD13 LEU A 96 -12.642 -2.056 -2.463 1.00 33.13 H new ATOM 0 HD21 LEU A 96 -14.644 0.132 -3.298 1.00 44.34 H new ATOM 0 HD22 LEU A 96 -14.466 -0.460 -1.629 1.00 44.34 H new ATOM 0 HD23 LEU A 96 -14.303 1.277 -1.979 1.00 44.34 H new ATOM 1481 N ASN A 97 -11.122 2.455 1.354 1.00 33.33 N ATOM 1482 CA ASN A 97 -11.527 2.847 2.700 1.00 62.25 C ATOM 1483 C ASN A 97 -12.453 1.802 3.315 1.00 0.42 C ATOM 1484 O ASN A 97 -13.311 2.126 4.136 1.00 25.25 O ATOM 1485 CB ASN A 97 -12.224 4.208 2.668 1.00 13.34 C ATOM 1486 CG ASN A 97 -11.280 5.333 2.292 1.00 5.44 C ATOM 1487 OD1 ASN A 97 -10.133 5.372 2.740 1.00 72.13 O ATOM 1488 ND2 ASN A 97 -11.758 6.256 1.466 1.00 11.43 N ATOM 0 H ASN A 97 -10.115 2.478 1.193 1.00 33.33 H new ATOM 0 HA ASN A 97 -10.631 2.920 3.316 1.00 62.25 H new ATOM 0 HB2 ASN A 97 -13.047 4.175 1.954 1.00 13.34 H new ATOM 0 HB3 ASN A 97 -12.658 4.414 3.646 1.00 13.34 H new ATOM 0 HD21 ASN A 97 -11.169 7.037 1.178 1.00 11.43 H new ATOM 0 HD22 ASN A 97 -12.715 6.184 1.119 1.00 11.43 H new ATOM 1495 N MET A 98 -12.273 0.549 2.913 1.00 63.24 N ATOM 1496 CA MET A 98 -13.091 -0.544 3.426 1.00 10.42 C ATOM 1497 C MET A 98 -12.719 -0.869 4.869 1.00 35.14 C ATOM 1498 O MET A 98 -11.654 -0.482 5.350 1.00 65.32 O ATOM 1499 CB MET A 98 -12.926 -1.788 2.552 1.00 43.13 C ATOM 1500 CG MET A 98 -13.969 -1.901 1.452 1.00 42.43 C ATOM 1501 SD MET A 98 -14.570 -3.587 1.235 1.00 42.35 S ATOM 1502 CE MET A 98 -16.297 -3.388 1.663 1.00 35.10 C ATOM 0 H MET A 98 -11.568 0.265 2.233 1.00 63.24 H new ATOM 0 HA MET A 98 -14.134 -0.227 3.400 1.00 10.42 H new ATOM 0 HB2 MET A 98 -11.934 -1.776 2.101 1.00 43.13 H new ATOM 0 HB3 MET A 98 -12.978 -2.675 3.183 1.00 43.13 H new ATOM 0 HG2 MET A 98 -14.809 -1.247 1.685 1.00 42.43 H new ATOM 0 HG3 MET A 98 -13.541 -1.548 0.514 1.00 42.43 H new ATOM 0 HE1 MET A 98 -16.806 -4.348 1.577 1.00 35.10 H new ATOM 0 HE2 MET A 98 -16.378 -3.025 2.687 1.00 35.10 H new ATOM 0 HE3 MET A 98 -16.759 -2.670 0.986 1.00 35.10 H new ATOM 1512 N THR A 99 -13.605 -1.582 5.558 1.00 75.54 N ATOM 1513 CA THR A 99 -13.371 -1.958 6.946 1.00 32.50 C ATOM 1514 C THR A 99 -13.064 -3.446 7.068 1.00 25.43 C ATOM 1515 O THR A 99 -13.787 -4.188 7.734 1.00 40.32 O ATOM 1516 CB THR A 99 -14.586 -1.623 7.832 1.00 41.53 C ATOM 1517 OG1 THR A 99 -15.105 -0.334 7.484 1.00 45.04 O ATOM 1518 CG2 THR A 99 -14.204 -1.640 9.304 1.00 65.10 C ATOM 0 H THR A 99 -14.492 -1.911 5.176 1.00 75.54 H new ATOM 0 HA THR A 99 -12.511 -1.382 7.288 1.00 32.50 H new ATOM 0 HB THR A 99 -15.351 -2.381 7.663 1.00 41.53 H new ATOM 0 HG1 THR A 99 -15.878 -0.129 8.050 1.00 45.04 H new ATOM 0 HG21 THR A 99 -15.078 -1.401 9.910 1.00 65.10 H new ATOM 0 HG22 THR A 99 -13.836 -2.630 9.573 1.00 65.10 H new ATOM 0 HG23 THR A 99 -13.423 -0.901 9.486 1.00 65.10 H new ATOM 1526 N VAL A 100 -11.985 -3.878 6.422 1.00 21.14 N ATOM 1527 CA VAL A 100 -11.580 -5.278 6.461 1.00 72.35 C ATOM 1528 C VAL A 100 -11.498 -5.788 7.895 1.00 11.31 C ATOM 1529 O VAL A 100 -10.691 -5.306 8.690 1.00 35.15 O ATOM 1530 CB VAL A 100 -10.217 -5.488 5.774 1.00 13.52 C ATOM 1531 CG1 VAL A 100 -9.803 -6.949 5.844 1.00 21.41 C ATOM 1532 CG2 VAL A 100 -10.268 -5.008 4.332 1.00 54.34 C ATOM 0 H VAL A 100 -11.376 -3.278 5.866 1.00 21.14 H new ATOM 0 HA VAL A 100 -12.341 -5.842 5.922 1.00 72.35 H new ATOM 0 HB VAL A 100 -9.469 -4.898 6.303 1.00 13.52 H new ATOM 0 HG11 VAL A 100 -8.838 -7.078 5.354 1.00 21.41 H new ATOM 0 HG12 VAL A 100 -9.724 -7.255 6.887 1.00 21.41 H new ATOM 0 HG13 VAL A 100 -10.550 -7.563 5.341 1.00 21.41 H new ATOM 0 HG21 VAL A 100 -9.297 -5.164 3.862 1.00 54.34 H new ATOM 0 HG22 VAL A 100 -11.028 -5.569 3.789 1.00 54.34 H new ATOM 0 HG23 VAL A 100 -10.515 -3.947 4.310 1.00 54.34 H new ATOM 1542 N SER A 101 -12.338 -6.766 8.219 1.00 11.40 N ATOM 1543 CA SER A 101 -12.363 -7.339 9.559 1.00 32.05 C ATOM 1544 C SER A 101 -11.150 -8.235 9.790 1.00 70.02 C ATOM 1545 O SER A 101 -10.623 -8.314 10.900 1.00 31.51 O ATOM 1546 CB SER A 101 -13.650 -8.139 9.771 1.00 61.22 C ATOM 1547 OG SER A 101 -14.541 -7.453 10.633 1.00 73.33 O ATOM 0 H SER A 101 -13.010 -7.178 7.572 1.00 11.40 H new ATOM 0 HA SER A 101 -12.330 -6.520 10.278 1.00 32.05 H new ATOM 0 HB2 SER A 101 -14.133 -8.317 8.810 1.00 61.22 H new ATOM 0 HB3 SER A 101 -13.410 -9.115 10.193 1.00 61.22 H new ATOM 0 HG SER A 101 -15.356 -7.984 10.751 1.00 73.33 H new ATOM 1553 N THR A 102 -10.711 -8.909 8.732 1.00 62.54 N ATOM 1554 CA THR A 102 -9.561 -9.801 8.817 1.00 71.11 C ATOM 1555 C THR A 102 -8.754 -9.782 7.524 1.00 62.41 C ATOM 1556 O THR A 102 -9.317 -9.762 6.430 1.00 61.21 O ATOM 1557 CB THR A 102 -9.994 -11.248 9.118 1.00 63.52 C ATOM 1558 OG1 THR A 102 -10.587 -11.834 7.954 1.00 71.52 O ATOM 1559 CG2 THR A 102 -10.983 -11.289 10.272 1.00 13.55 C ATOM 0 H THR A 102 -11.135 -8.854 7.806 1.00 62.54 H new ATOM 0 HA THR A 102 -8.939 -9.438 9.635 1.00 71.11 H new ATOM 0 HB THR A 102 -9.108 -11.817 9.400 1.00 63.52 H new ATOM 0 HG1 THR A 102 -10.858 -12.754 8.153 1.00 71.52 H new ATOM 0 HG21 THR A 102 -11.274 -12.322 10.465 1.00 13.55 H new ATOM 0 HG22 THR A 102 -10.518 -10.870 11.164 1.00 13.55 H new ATOM 0 HG23 THR A 102 -11.867 -10.705 10.015 1.00 13.55 H new ATOM 1567 N ALA A 103 -7.432 -9.790 7.657 1.00 24.02 N ATOM 1568 CA ALA A 103 -6.547 -9.777 6.499 1.00 40.22 C ATOM 1569 C ALA A 103 -6.919 -10.877 5.511 1.00 75.20 C ATOM 1570 O ALA A 103 -6.779 -10.711 4.300 1.00 43.31 O ATOM 1571 CB ALA A 103 -5.098 -9.928 6.939 1.00 35.41 C ATOM 0 H ALA A 103 -6.950 -9.805 8.556 1.00 24.02 H new ATOM 0 HA ALA A 103 -6.664 -8.817 5.995 1.00 40.22 H new ATOM 0 HB1 ALA A 103 -4.449 -9.917 6.063 1.00 35.41 H new ATOM 0 HB2 ALA A 103 -4.831 -9.103 7.600 1.00 35.41 H new ATOM 0 HB3 ALA A 103 -4.975 -10.872 7.469 1.00 35.41 H new ATOM 1577 N ALA A 104 -7.395 -12.002 6.036 1.00 4.44 N ATOM 1578 CA ALA A 104 -7.788 -13.129 5.200 1.00 15.23 C ATOM 1579 C ALA A 104 -8.973 -12.765 4.311 1.00 31.44 C ATOM 1580 O ALA A 104 -8.982 -13.069 3.119 1.00 53.21 O ATOM 1581 CB ALA A 104 -8.125 -14.335 6.065 1.00 50.23 C ATOM 0 H ALA A 104 -7.518 -12.156 7.037 1.00 4.44 H new ATOM 0 HA ALA A 104 -6.947 -13.382 4.554 1.00 15.23 H new ATOM 0 HB1 ALA A 104 -8.417 -15.170 5.428 1.00 50.23 H new ATOM 0 HB2 ALA A 104 -7.252 -14.616 6.654 1.00 50.23 H new ATOM 0 HB3 ALA A 104 -8.948 -14.084 6.734 1.00 50.23 H new ATOM 1587 N ALA A 105 -9.971 -12.115 4.900 1.00 11.33 N ATOM 1588 CA ALA A 105 -11.160 -11.709 4.161 1.00 30.10 C ATOM 1589 C ALA A 105 -10.802 -10.755 3.026 1.00 31.52 C ATOM 1590 O ALA A 105 -11.314 -10.879 1.914 1.00 32.21 O ATOM 1591 CB ALA A 105 -12.169 -11.062 5.098 1.00 31.22 C ATOM 0 H ALA A 105 -9.980 -11.858 5.887 1.00 11.33 H new ATOM 0 HA ALA A 105 -11.607 -12.601 3.723 1.00 30.10 H new ATOM 0 HB1 ALA A 105 -13.052 -10.764 4.532 1.00 31.22 H new ATOM 0 HB2 ALA A 105 -12.457 -11.775 5.871 1.00 31.22 H new ATOM 0 HB3 ALA A 105 -11.722 -10.183 5.563 1.00 31.22 H new ATOM 1597 N ALA A 106 -9.921 -9.804 3.315 1.00 45.20 N ATOM 1598 CA ALA A 106 -9.494 -8.830 2.318 1.00 65.00 C ATOM 1599 C ALA A 106 -8.874 -9.520 1.107 1.00 3.43 C ATOM 1600 O ALA A 106 -9.230 -9.228 -0.034 1.00 11.03 O ATOM 1601 CB ALA A 106 -8.507 -7.846 2.930 1.00 73.12 C ATOM 0 H ALA A 106 -9.489 -9.687 4.231 1.00 45.20 H new ATOM 0 HA ALA A 106 -10.374 -8.282 1.981 1.00 65.00 H new ATOM 0 HB1 ALA A 106 -8.197 -7.124 2.174 1.00 73.12 H new ATOM 0 HB2 ALA A 106 -8.983 -7.322 3.759 1.00 73.12 H new ATOM 0 HB3 ALA A 106 -7.634 -8.386 3.296 1.00 73.12 H new ATOM 1607 N GLU A 107 -7.944 -10.434 1.365 1.00 70.44 N ATOM 1608 CA GLU A 107 -7.274 -11.164 0.294 1.00 11.43 C ATOM 1609 C GLU A 107 -8.278 -11.964 -0.530 1.00 32.31 C ATOM 1610 O GLU A 107 -8.138 -12.092 -1.745 1.00 41.34 O ATOM 1611 CB GLU A 107 -6.211 -12.100 0.873 1.00 42.33 C ATOM 1612 CG GLU A 107 -5.616 -13.052 -0.151 1.00 74.12 C ATOM 1613 CD GLU A 107 -6.146 -14.466 -0.009 1.00 5.01 C ATOM 1614 OE1 GLU A 107 -6.158 -14.983 1.128 1.00 3.52 O ATOM 1615 OE2 GLU A 107 -6.547 -15.056 -1.034 1.00 0.24 O ATOM 0 H GLU A 107 -7.637 -10.687 2.304 1.00 70.44 H new ATOM 0 HA GLU A 107 -6.791 -10.438 -0.360 1.00 11.43 H new ATOM 0 HB2 GLU A 107 -5.411 -11.502 1.309 1.00 42.33 H new ATOM 0 HB3 GLU A 107 -6.652 -12.681 1.683 1.00 42.33 H new ATOM 0 HG2 GLU A 107 -5.835 -12.685 -1.154 1.00 74.12 H new ATOM 0 HG3 GLU A 107 -4.531 -13.062 -0.045 1.00 74.12 H new ATOM 1622 N ASN A 108 -9.291 -12.502 0.142 1.00 61.31 N ATOM 1623 CA ASN A 108 -10.318 -13.292 -0.527 1.00 55.13 C ATOM 1624 C ASN A 108 -11.099 -12.438 -1.522 1.00 65.14 C ATOM 1625 O ASN A 108 -11.461 -12.902 -2.603 1.00 45.33 O ATOM 1626 CB ASN A 108 -11.275 -13.899 0.501 1.00 11.20 C ATOM 1627 CG ASN A 108 -12.233 -14.898 -0.119 1.00 41.43 C ATOM 1628 OD1 ASN A 108 -13.365 -14.557 -0.464 1.00 22.51 O ATOM 1629 ND2 ASN A 108 -11.782 -16.138 -0.264 1.00 61.21 N ATOM 0 H ASN A 108 -9.422 -12.405 1.149 1.00 61.31 H new ATOM 0 HA ASN A 108 -9.824 -14.096 -1.073 1.00 55.13 H new ATOM 0 HB2 ASN A 108 -10.698 -14.391 1.284 1.00 11.20 H new ATOM 0 HB3 ASN A 108 -11.845 -13.102 0.978 1.00 11.20 H new ATOM 0 HD21 ASN A 108 -12.381 -16.854 -0.676 1.00 61.21 H new ATOM 0 HD22 ASN A 108 -10.837 -16.375 0.036 1.00 61.21 H new ATOM 1636 N MET A 109 -11.353 -11.188 -1.149 1.00 72.22 N ATOM 1637 CA MET A 109 -12.089 -10.269 -2.010 1.00 3.12 C ATOM 1638 C MET A 109 -11.258 -9.884 -3.230 1.00 2.13 C ATOM 1639 O MET A 109 -11.738 -9.940 -4.362 1.00 43.42 O ATOM 1640 CB MET A 109 -12.484 -9.013 -1.231 1.00 33.24 C ATOM 1641 CG MET A 109 -13.753 -9.181 -0.410 1.00 61.53 C ATOM 1642 SD MET A 109 -15.249 -8.946 -1.389 1.00 30.52 S ATOM 1643 CE MET A 109 -16.495 -9.547 -0.251 1.00 14.50 C ATOM 0 H MET A 109 -11.060 -10.788 -0.257 1.00 72.22 H new ATOM 0 HA MET A 109 -12.992 -10.775 -2.352 1.00 3.12 H new ATOM 0 HB2 MET A 109 -11.666 -8.735 -0.567 1.00 33.24 H new ATOM 0 HB3 MET A 109 -12.620 -8.189 -1.931 1.00 33.24 H new ATOM 0 HG2 MET A 109 -13.766 -10.177 0.033 1.00 61.53 H new ATOM 0 HG3 MET A 109 -13.746 -8.466 0.413 1.00 61.53 H new ATOM 0 HE1 MET A 109 -17.479 -9.467 -0.713 1.00 14.50 H new ATOM 0 HE2 MET A 109 -16.293 -10.590 -0.008 1.00 14.50 H new ATOM 0 HE3 MET A 109 -16.473 -8.951 0.661 1.00 14.50 H new ATOM 1653 N TYR A 110 -10.011 -9.493 -2.991 1.00 61.32 N ATOM 1654 CA TYR A 110 -9.115 -9.096 -4.071 1.00 24.35 C ATOM 1655 C TYR A 110 -9.034 -10.182 -5.139 1.00 72.21 C ATOM 1656 O TYR A 110 -9.044 -9.893 -6.336 1.00 32.43 O ATOM 1657 CB TYR A 110 -7.718 -8.803 -3.520 1.00 50.40 C ATOM 1658 CG TYR A 110 -7.233 -7.402 -3.816 1.00 44.42 C ATOM 1659 CD1 TYR A 110 -6.014 -7.187 -4.449 1.00 54.12 C ATOM 1660 CD2 TYR A 110 -7.991 -6.293 -3.462 1.00 53.25 C ATOM 1661 CE1 TYR A 110 -5.566 -5.909 -4.721 1.00 54.33 C ATOM 1662 CE2 TYR A 110 -7.552 -5.011 -3.732 1.00 20.21 C ATOM 1663 CZ TYR A 110 -6.339 -4.824 -4.361 1.00 61.22 C ATOM 1664 OH TYR A 110 -5.897 -3.549 -4.630 1.00 70.11 O ATOM 0 H TYR A 110 -9.598 -9.442 -2.060 1.00 61.32 H new ATOM 0 HA TYR A 110 -9.516 -8.191 -4.528 1.00 24.35 H new ATOM 0 HB2 TYR A 110 -7.722 -8.957 -2.441 1.00 50.40 H new ATOM 0 HB3 TYR A 110 -7.013 -9.519 -3.941 1.00 50.40 H new ATOM 0 HD1 TYR A 110 -5.407 -8.034 -4.733 1.00 54.12 H new ATOM 0 HD2 TYR A 110 -8.940 -6.435 -2.967 1.00 53.25 H new ATOM 0 HE1 TYR A 110 -4.616 -5.760 -5.213 1.00 54.33 H new ATOM 0 HE2 TYR A 110 -8.155 -4.160 -3.452 1.00 20.21 H new ATOM 0 HH TYR A 110 -5.025 -3.592 -5.075 1.00 70.11 H new ATOM 1674 N SER A 111 -8.955 -11.433 -4.697 1.00 72.33 N ATOM 1675 CA SER A 111 -8.870 -12.564 -5.614 1.00 40.13 C ATOM 1676 C SER A 111 -10.242 -12.901 -6.190 1.00 31.33 C ATOM 1677 O SER A 111 -10.370 -13.216 -7.373 1.00 1.04 O ATOM 1678 CB SER A 111 -8.290 -13.786 -4.899 1.00 10.52 C ATOM 1679 OG SER A 111 -9.320 -14.605 -4.373 1.00 64.24 O ATOM 0 H SER A 111 -8.948 -11.689 -3.710 1.00 72.33 H new ATOM 0 HA SER A 111 -8.209 -12.285 -6.435 1.00 40.13 H new ATOM 0 HB2 SER A 111 -7.681 -14.364 -5.595 1.00 10.52 H new ATOM 0 HB3 SER A 111 -7.632 -13.461 -4.093 1.00 10.52 H new ATOM 0 HG SER A 111 -8.924 -15.380 -3.922 1.00 64.24 H new ATOM 1685 N GLN A 112 -11.265 -12.833 -5.344 1.00 3.15 N ATOM 1686 CA GLN A 112 -12.628 -13.132 -5.767 1.00 45.22 C ATOM 1687 C GLN A 112 -13.080 -12.171 -6.862 1.00 34.03 C ATOM 1688 O GLN A 112 -13.818 -12.553 -7.770 1.00 10.23 O ATOM 1689 CB GLN A 112 -13.583 -13.053 -4.576 1.00 34.24 C ATOM 1690 CG GLN A 112 -13.678 -14.348 -3.785 1.00 72.43 C ATOM 1691 CD GLN A 112 -14.752 -15.278 -4.315 1.00 60.11 C ATOM 1692 OE1 GLN A 112 -15.795 -14.832 -4.793 1.00 53.22 O ATOM 1693 NE2 GLN A 112 -14.502 -16.580 -4.233 1.00 43.41 N ATOM 0 H GLN A 112 -11.176 -12.573 -4.362 1.00 3.15 H new ATOM 0 HA GLN A 112 -12.644 -14.145 -6.169 1.00 45.22 H new ATOM 0 HB2 GLN A 112 -13.256 -12.254 -3.911 1.00 34.24 H new ATOM 0 HB3 GLN A 112 -14.576 -12.782 -4.935 1.00 34.24 H new ATOM 0 HG2 GLN A 112 -12.715 -14.858 -3.813 1.00 72.43 H new ATOM 0 HG3 GLN A 112 -13.886 -14.117 -2.740 1.00 72.43 H new ATOM 0 HE21 GLN A 112 -13.624 -16.906 -3.829 1.00 43.41 H new ATOM 0 HE22 GLN A 112 -15.188 -17.253 -4.574 1.00 43.41 H new ATOM 1702 N MET A 113 -12.634 -10.923 -6.768 1.00 41.23 N ATOM 1703 CA MET A 113 -12.993 -9.908 -7.752 1.00 11.53 C ATOM 1704 C MET A 113 -12.239 -10.127 -9.060 1.00 13.35 C ATOM 1705 O MET A 113 -12.660 -9.656 -10.116 1.00 22.52 O ATOM 1706 CB MET A 113 -12.695 -8.510 -7.206 1.00 2.14 C ATOM 1707 CG MET A 113 -13.939 -7.664 -6.988 1.00 60.03 C ATOM 1708 SD MET A 113 -13.634 -5.904 -7.236 1.00 34.20 S ATOM 1709 CE MET A 113 -14.433 -5.215 -5.788 1.00 24.40 C ATOM 0 H MET A 113 -12.024 -10.590 -6.021 1.00 41.23 H new ATOM 0 HA MET A 113 -14.061 -9.993 -7.951 1.00 11.53 H new ATOM 0 HB2 MET A 113 -12.160 -8.605 -6.261 1.00 2.14 H new ATOM 0 HB3 MET A 113 -12.031 -7.993 -7.898 1.00 2.14 H new ATOM 0 HG2 MET A 113 -14.722 -7.993 -7.671 1.00 60.03 H new ATOM 0 HG3 MET A 113 -14.311 -7.825 -5.976 1.00 60.03 H new ATOM 0 HE1 MET A 113 -14.330 -4.130 -5.797 1.00 24.40 H new ATOM 0 HE2 MET A 113 -15.490 -5.479 -5.795 1.00 24.40 H new ATOM 0 HE3 MET A 113 -13.965 -5.616 -4.889 1.00 24.40 H new