USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=17 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 150:sc= -1.4 USER MOD Set 1.2: A 59 GLN : amide:sc= -2.26 K(o=-3.7,f=-2.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -152:sc= -0.136 (180deg=-0.662) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 0:sc= -0.605 USER MOD Single : A 17 SER OG : rot 87:sc= 0.223 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.0788 X(o=-0.079,f=-0.14) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.92 K(o=-2.9,f=-3.5) USER MOD Single : A 45 SER OG : rot 170:sc= 0 USER MOD Single : A 46 THR OG1 : rot -91:sc= 0.829 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0974 K(o=-0.097,f=-0.68) 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 143:sc= -0.549 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 154:sc= 0 (180deg=-0.254) USER MOD Single : A 86 THR OG1 : rot -111:sc= 0.929 USER MOD Single : A 88 LYS NZ :NH3+ -131:sc= -2.38 (180deg=-6.16!) USER MOD Single : A 97 ASN : amide:sc= 0.0365 X(o=0.036,f=0.1) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -50:sc= 0.912 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.655 USER MOD Single : A 111 SER OG : rot -82:sc= -0.0359 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -6.242 9.060 3.046 1.00 20.23 N ATOM 78 CA ASP A 8 -6.166 7.633 2.756 1.00 21.32 C ATOM 79 C ASP A 8 -4.955 7.004 3.437 1.00 11.24 C ATOM 80 O ASP A 8 -4.935 5.803 3.706 1.00 53.22 O ATOM 81 CB ASP A 8 -6.095 7.401 1.246 1.00 60.32 C ATOM 82 CG ASP A 8 -7.404 7.718 0.550 1.00 3.13 C ATOM 83 OD1 ASP A 8 -7.524 7.411 -0.656 1.00 72.54 O ATOM 84 OD2 ASP A 8 -8.307 8.272 1.209 1.00 33.23 O ATOM 0 HA ASP A 8 -7.067 7.159 3.147 1.00 21.32 H new ATOM 0 HB2 ASP A 8 -5.303 8.019 0.823 1.00 60.32 H new ATOM 0 HB3 ASP A 8 -5.826 6.362 1.053 1.00 60.32 H new ATOM 89 N TRP A 9 -3.945 7.822 3.711 1.00 55.50 N ATOM 90 CA TRP A 9 -2.729 7.346 4.361 1.00 2.25 C ATOM 91 C TRP A 9 -2.963 7.107 5.848 1.00 51.44 C ATOM 92 O TRP A 9 -2.926 5.970 6.318 1.00 12.44 O ATOM 93 CB TRP A 9 -1.594 8.354 4.166 1.00 64.32 C ATOM 94 CG TRP A 9 -0.367 8.025 4.960 1.00 12.15 C ATOM 95 CD1 TRP A 9 0.287 8.846 5.834 1.00 12.13 C ATOM 96 CD2 TRP A 9 0.356 6.789 4.950 1.00 62.14 C ATOM 97 NE1 TRP A 9 1.372 8.194 6.369 1.00 32.04 N ATOM 98 CE2 TRP A 9 1.436 6.930 5.844 1.00 60.02 C ATOM 99 CE3 TRP A 9 0.194 5.576 4.276 1.00 61.15 C ATOM 100 CZ2 TRP A 9 2.347 5.905 6.077 1.00 32.34 C ATOM 101 CZ3 TRP A 9 1.100 4.558 4.509 1.00 40.21 C ATOM 102 CH2 TRP A 9 2.166 4.728 5.403 1.00 61.44 C ATOM 0 H TRP A 9 -3.944 8.818 3.493 1.00 55.50 H new ATOM 0 HA TRP A 9 -2.448 6.399 3.901 1.00 2.25 H new ATOM 0 HB2 TRP A 9 -1.333 8.397 3.109 1.00 64.32 H new ATOM 0 HB3 TRP A 9 -1.946 9.346 4.448 1.00 64.32 H new ATOM 0 HD1 TRP A 9 -0.006 9.859 6.070 1.00 12.13 H new ATOM 0 HE1 TRP A 9 2.024 8.587 7.047 1.00 32.04 H new ATOM 0 HE3 TRP A 9 -0.624 5.436 3.585 1.00 61.15 H new ATOM 0 HZ2 TRP A 9 3.169 6.034 6.766 1.00 32.34 H new ATOM 0 HZ3 TRP A 9 0.984 3.616 3.994 1.00 40.21 H new ATOM 0 HH2 TRP A 9 2.858 3.914 5.563 1.00 61.44 H new ATOM 113 N LYS A 10 -3.206 8.187 6.585 1.00 24.55 N ATOM 114 CA LYS A 10 -3.448 8.094 8.020 1.00 2.12 C ATOM 115 C LYS A 10 -4.627 7.173 8.314 1.00 54.21 C ATOM 116 O LYS A 10 -4.618 6.433 9.297 1.00 14.34 O ATOM 117 CB LYS A 10 -3.714 9.484 8.603 1.00 12.24 C ATOM 118 CG LYS A 10 -2.531 10.063 9.360 1.00 11.33 C ATOM 119 CD LYS A 10 -2.539 9.636 10.818 1.00 41.41 C ATOM 120 CE LYS A 10 -1.161 9.774 11.447 1.00 20.22 C ATOM 121 NZ LYS A 10 -0.957 11.122 12.047 1.00 32.51 N ATOM 0 H LYS A 10 -3.240 9.136 6.212 1.00 24.55 H new ATOM 0 HA LYS A 10 -2.557 7.675 8.488 1.00 2.12 H new ATOM 0 HB2 LYS A 10 -3.984 10.163 7.794 1.00 12.24 H new ATOM 0 HB3 LYS A 10 -4.572 9.430 9.273 1.00 12.24 H new ATOM 0 HG2 LYS A 10 -1.603 9.738 8.890 1.00 11.33 H new ATOM 0 HG3 LYS A 10 -2.556 11.151 9.298 1.00 11.33 H new ATOM 0 HD2 LYS A 10 -3.255 10.243 11.372 1.00 41.41 H new ATOM 0 HD3 LYS A 10 -2.872 8.601 10.893 1.00 41.41 H new ATOM 0 HE2 LYS A 10 -1.035 9.012 12.216 1.00 20.22 H new ATOM 0 HE3 LYS A 10 -0.397 9.594 10.691 1.00 20.22 H new ATOM 0 HZ1 LYS A 10 -0.006 11.176 12.465 1.00 32.51 H new ATOM 0 HZ2 LYS A 10 -1.052 11.849 11.309 1.00 32.51 H new ATOM 0 HZ3 LYS A 10 -1.670 11.284 12.787 1.00 32.51 H new ATOM 135 N MET A 11 -5.640 7.223 7.456 1.00 53.42 N ATOM 136 CA MET A 11 -6.826 6.392 7.624 1.00 61.02 C ATOM 137 C MET A 11 -6.486 4.917 7.438 1.00 21.33 C ATOM 138 O MET A 11 -6.909 4.068 8.222 1.00 40.02 O ATOM 139 CB MET A 11 -7.911 6.806 6.629 1.00 70.32 C ATOM 140 CG MET A 11 -9.260 6.158 6.895 1.00 74.54 C ATOM 141 SD MET A 11 -10.612 7.351 6.920 1.00 60.24 S ATOM 142 CE MET A 11 -10.127 8.383 8.301 1.00 3.35 C ATOM 0 H MET A 11 -5.663 7.830 6.637 1.00 53.42 H new ATOM 0 HA MET A 11 -7.199 6.536 8.638 1.00 61.02 H new ATOM 0 HB2 MET A 11 -8.026 7.890 6.659 1.00 70.32 H new ATOM 0 HB3 MET A 11 -7.586 6.548 5.621 1.00 70.32 H new ATOM 0 HG2 MET A 11 -9.456 5.409 6.128 1.00 74.54 H new ATOM 0 HG3 MET A 11 -9.225 5.635 7.850 1.00 74.54 H new ATOM 0 HE1 MET A 11 -11.015 8.817 8.760 1.00 3.35 H new ATOM 0 HE2 MET A 11 -9.596 7.780 9.037 1.00 3.35 H new ATOM 0 HE3 MET A 11 -9.474 9.181 7.947 1.00 3.35 H new ATOM 152 N ALA A 12 -5.718 4.618 6.395 1.00 64.22 N ATOM 153 CA ALA A 12 -5.320 3.246 6.106 1.00 31.54 C ATOM 154 C ALA A 12 -4.617 2.615 7.304 1.00 34.21 C ATOM 155 O ALA A 12 -4.893 1.471 7.665 1.00 10.33 O ATOM 156 CB ALA A 12 -4.419 3.204 4.882 1.00 63.11 C ATOM 0 H ALA A 12 -5.359 5.309 5.736 1.00 64.22 H new ATOM 0 HA ALA A 12 -6.221 2.668 5.900 1.00 31.54 H new ATOM 0 HB1 ALA A 12 -4.130 2.173 4.678 1.00 63.11 H new ATOM 0 HB2 ALA A 12 -4.954 3.607 4.022 1.00 63.11 H new ATOM 0 HB3 ALA A 12 -3.526 3.802 5.067 1.00 63.11 H new ATOM 162 N ILE A 13 -3.709 3.369 7.915 1.00 11.20 N ATOM 163 CA ILE A 13 -2.968 2.882 9.072 1.00 14.54 C ATOM 164 C ILE A 13 -3.875 2.756 10.292 1.00 33.14 C ATOM 165 O ILE A 13 -3.719 1.842 11.103 1.00 44.20 O ATOM 166 CB ILE A 13 -1.789 3.813 9.417 1.00 72.42 C ATOM 167 CG1 ILE A 13 -0.829 3.917 8.230 1.00 73.34 C ATOM 168 CG2 ILE A 13 -1.060 3.307 10.653 1.00 13.42 C ATOM 169 CD1 ILE A 13 -0.147 2.612 7.890 1.00 65.31 C ATOM 0 H ILE A 13 -3.469 4.318 7.629 1.00 11.20 H new ATOM 0 HA ILE A 13 -2.579 1.899 8.808 1.00 14.54 H new ATOM 0 HB ILE A 13 -2.180 4.808 9.631 1.00 72.42 H new ATOM 0 HG12 ILE A 13 -1.380 4.268 7.357 1.00 73.34 H new ATOM 0 HG13 ILE A 13 -0.070 4.668 8.451 1.00 73.34 H new ATOM 0 HG21 ILE A 13 -0.230 3.974 10.885 1.00 13.42 H new ATOM 0 HG22 ILE A 13 -1.750 3.280 11.497 1.00 13.42 H new ATOM 0 HG23 ILE A 13 -0.677 2.304 10.465 1.00 13.42 H new ATOM 0 HD11 ILE A 13 0.518 2.760 7.039 1.00 65.31 H new ATOM 0 HD12 ILE A 13 0.431 2.269 8.748 1.00 65.31 H new ATOM 0 HD13 ILE A 13 -0.898 1.864 7.637 1.00 65.31 H new ATOM 181 N LYS A 14 -4.823 3.677 10.416 1.00 14.20 N ATOM 182 CA LYS A 14 -5.758 3.668 11.535 1.00 42.13 C ATOM 183 C LYS A 14 -6.697 2.469 11.449 1.00 22.01 C ATOM 184 O LYS A 14 -6.943 1.789 12.446 1.00 45.22 O ATOM 185 CB LYS A 14 -6.570 4.965 11.559 1.00 43.51 C ATOM 186 CG LYS A 14 -6.966 5.410 12.956 1.00 4.31 C ATOM 187 CD LYS A 14 -6.816 6.913 13.125 1.00 64.23 C ATOM 188 CE LYS A 14 -6.791 7.308 14.593 1.00 55.15 C ATOM 189 NZ LYS A 14 -5.402 7.482 15.098 1.00 25.44 N ATOM 0 H LYS A 14 -4.965 4.441 9.755 1.00 14.20 H new ATOM 0 HA LYS A 14 -5.182 3.591 12.457 1.00 42.13 H new ATOM 0 HB2 LYS A 14 -5.989 5.756 11.086 1.00 43.51 H new ATOM 0 HB3 LYS A 14 -7.471 4.831 10.961 1.00 43.51 H new ATOM 0 HG2 LYS A 14 -7.999 5.122 13.152 1.00 4.31 H new ATOM 0 HG3 LYS A 14 -6.347 4.896 13.692 1.00 4.31 H new ATOM 0 HD2 LYS A 14 -5.897 7.245 12.642 1.00 64.23 H new ATOM 0 HD3 LYS A 14 -7.640 7.421 12.624 1.00 64.23 H new ATOM 0 HE2 LYS A 14 -7.345 8.237 14.728 1.00 55.15 H new ATOM 0 HE3 LYS A 14 -7.299 6.545 15.183 1.00 55.15 H new ATOM 0 HZ1 LYS A 14 -5.429 7.751 16.102 1.00 25.44 H new ATOM 0 HZ2 LYS A 14 -4.880 6.589 14.993 1.00 25.44 H new ATOM 0 HZ3 LYS A 14 -4.925 8.228 14.552 1.00 25.44 H new ATOM 203 N ARG A 15 -7.217 2.215 10.253 1.00 60.33 N ATOM 204 CA ARG A 15 -8.129 1.098 10.038 1.00 50.23 C ATOM 205 C ARG A 15 -7.414 -0.235 10.243 1.00 54.24 C ATOM 206 O ARG A 15 -7.885 -1.095 10.987 1.00 73.35 O ATOM 207 CB ARG A 15 -8.722 1.159 8.629 1.00 71.10 C ATOM 208 CG ARG A 15 -9.666 2.331 8.417 1.00 5.51 C ATOM 209 CD ARG A 15 -10.924 1.906 7.676 1.00 22.41 C ATOM 210 NE ARG A 15 -12.058 1.732 8.581 1.00 22.30 N ATOM 211 CZ ARG A 15 -12.758 2.743 9.085 1.00 4.23 C ATOM 212 NH1 ARG A 15 -12.440 3.992 8.774 1.00 74.25 N ATOM 213 NH2 ARG A 15 -13.776 2.505 9.901 1.00 21.32 N ATOM 0 H ARG A 15 -7.022 2.767 9.418 1.00 60.33 H new ATOM 0 HA ARG A 15 -8.935 1.175 10.768 1.00 50.23 H new ATOM 0 HB2 ARG A 15 -7.910 1.221 7.904 1.00 71.10 H new ATOM 0 HB3 ARG A 15 -9.257 0.231 8.429 1.00 71.10 H new ATOM 0 HG2 ARG A 15 -9.938 2.760 9.382 1.00 5.51 H new ATOM 0 HG3 ARG A 15 -9.157 3.112 7.853 1.00 5.51 H new ATOM 0 HD2 ARG A 15 -11.172 2.654 6.923 1.00 22.41 H new ATOM 0 HD3 ARG A 15 -10.735 0.972 7.147 1.00 22.41 H new ATOM 0 HE ARG A 15 -12.327 0.783 8.840 1.00 22.30 H new ATOM 0 HH11 ARG A 15 -11.657 4.178 8.147 1.00 74.25 H new ATOM 0 HH12 ARG A 15 -12.978 4.767 9.162 1.00 74.25 H new ATOM 0 HH21 ARG A 15 -14.022 1.545 10.142 1.00 21.32 H new ATOM 0 HH22 ARG A 15 -14.312 3.282 10.287 1.00 21.32 H new ATOM 227 N CYS A 16 -6.276 -0.397 9.578 1.00 30.14 N ATOM 228 CA CYS A 16 -5.496 -1.625 9.686 1.00 13.25 C ATOM 229 C CYS A 16 -4.931 -1.789 11.094 1.00 13.41 C ATOM 230 O CYS A 16 -4.593 -2.895 11.513 1.00 20.44 O ATOM 231 CB CYS A 16 -4.358 -1.623 8.665 1.00 22.14 C ATOM 232 SG CYS A 16 -4.887 -1.966 6.971 1.00 5.12 S ATOM 0 H CYS A 16 -5.873 0.306 8.959 1.00 30.14 H new ATOM 0 HA CYS A 16 -6.159 -2.465 9.479 1.00 13.25 H new ATOM 0 HB2 CYS A 16 -3.863 -0.652 8.690 1.00 22.14 H new ATOM 0 HB3 CYS A 16 -3.617 -2.366 8.961 1.00 22.14 H new ATOM 0 HG CYS A 16 -6.173 -2.156 6.948 1.00 5.12 H new ATOM 238 N SER A 17 -4.832 -0.679 11.819 1.00 2.42 N ATOM 239 CA SER A 17 -4.303 -0.698 13.177 1.00 10.23 C ATOM 240 C SER A 17 -5.177 -1.554 14.089 1.00 64.42 C ATOM 241 O SER A 17 -4.752 -1.967 15.167 1.00 11.43 O ATOM 242 CB SER A 17 -4.210 0.725 13.732 1.00 3.41 C ATOM 243 OG SER A 17 -2.864 1.167 13.779 1.00 62.40 O ATOM 0 H SER A 17 -5.111 0.245 11.488 1.00 2.42 H new ATOM 0 HA SER A 17 -3.304 -1.134 13.144 1.00 10.23 H new ATOM 0 HB2 SER A 17 -4.796 1.401 13.109 1.00 3.41 H new ATOM 0 HB3 SER A 17 -4.642 0.758 14.732 1.00 3.41 H new ATOM 0 HG SER A 17 -2.619 1.561 12.916 1.00 62.40 H new ATOM 249 N ASN A 18 -6.402 -1.818 13.646 1.00 52.55 N ATOM 250 CA ASN A 18 -7.338 -2.624 14.421 1.00 74.12 C ATOM 251 C ASN A 18 -7.948 -3.727 13.561 1.00 12.41 C ATOM 252 O ASN A 18 -9.115 -4.082 13.724 1.00 24.24 O ATOM 253 CB ASN A 18 -8.447 -1.741 14.999 1.00 31.33 C ATOM 254 CG ASN A 18 -8.843 -2.156 16.403 1.00 53.40 C ATOM 255 OD1 ASN A 18 -9.731 -2.988 16.589 1.00 33.51 O ATOM 256 ND2 ASN A 18 -8.184 -1.575 17.399 1.00 31.23 N ATOM 0 H ASN A 18 -6.769 -1.486 12.754 1.00 52.55 H new ATOM 0 HA ASN A 18 -6.788 -3.088 15.240 1.00 74.12 H new ATOM 0 HB2 ASN A 18 -8.113 -0.703 15.010 1.00 31.33 H new ATOM 0 HB3 ASN A 18 -9.321 -1.788 14.349 1.00 31.33 H new ATOM 0 HD21 ASN A 18 -8.407 -1.813 18.365 1.00 31.23 H new ATOM 0 HD22 ASN A 18 -7.455 -0.891 17.197 1.00 31.23 H new ATOM 263 N VAL A 19 -7.148 -4.266 12.646 1.00 74.22 N ATOM 264 CA VAL A 19 -7.606 -5.330 11.761 1.00 40.15 C ATOM 265 C VAL A 19 -7.000 -6.672 12.156 1.00 42.05 C ATOM 266 O VAL A 19 -5.810 -6.764 12.452 1.00 3.02 O ATOM 267 CB VAL A 19 -7.252 -5.031 10.293 1.00 23.31 C ATOM 268 CG1 VAL A 19 -5.749 -5.121 10.077 1.00 20.11 C ATOM 269 CG2 VAL A 19 -7.989 -5.981 9.362 1.00 71.45 C ATOM 0 H VAL A 19 -6.179 -3.983 12.499 1.00 74.22 H new ATOM 0 HA VAL A 19 -8.690 -5.380 11.862 1.00 40.15 H new ATOM 0 HB VAL A 19 -7.569 -4.014 10.062 1.00 23.31 H new ATOM 0 HG11 VAL A 19 -5.518 -4.907 9.034 1.00 20.11 H new ATOM 0 HG12 VAL A 19 -5.245 -4.396 10.717 1.00 20.11 H new ATOM 0 HG13 VAL A 19 -5.405 -6.125 10.326 1.00 20.11 H new ATOM 0 HG21 VAL A 19 -7.726 -5.755 8.329 1.00 71.45 H new ATOM 0 HG22 VAL A 19 -7.706 -7.008 9.592 1.00 71.45 H new ATOM 0 HG23 VAL A 19 -9.064 -5.862 9.497 1.00 71.45 H new ATOM 279 N ALA A 20 -7.829 -7.712 12.157 1.00 14.23 N ATOM 280 CA ALA A 20 -7.374 -9.050 12.513 1.00 52.23 C ATOM 281 C ALA A 20 -6.650 -9.712 11.346 1.00 34.13 C ATOM 282 O ALA A 20 -7.270 -10.101 10.357 1.00 63.01 O ATOM 283 CB ALA A 20 -8.551 -9.906 12.960 1.00 43.23 C ATOM 0 H ALA A 20 -8.818 -7.653 11.915 1.00 14.23 H new ATOM 0 HA ALA A 20 -6.669 -8.960 13.340 1.00 52.23 H new ATOM 0 HB1 ALA A 20 -8.197 -10.903 13.223 1.00 43.23 H new ATOM 0 HB2 ALA A 20 -9.025 -9.448 13.829 1.00 43.23 H new ATOM 0 HB3 ALA A 20 -9.275 -9.981 12.149 1.00 43.23 H new ATOM 289 N VAL A 21 -5.332 -9.836 11.468 1.00 21.44 N ATOM 290 CA VAL A 21 -4.522 -10.452 10.423 1.00 31.31 C ATOM 291 C VAL A 21 -5.010 -11.861 10.108 1.00 35.54 C ATOM 292 O VAL A 21 -4.807 -12.368 9.006 1.00 53.04 O ATOM 293 CB VAL A 21 -3.037 -10.512 10.828 1.00 5.43 C ATOM 294 CG1 VAL A 21 -2.182 -10.964 9.653 1.00 31.30 C ATOM 295 CG2 VAL A 21 -2.571 -9.160 11.347 1.00 21.11 C ATOM 0 H VAL A 21 -4.802 -9.518 12.280 1.00 21.44 H new ATOM 0 HA VAL A 21 -4.624 -9.829 9.534 1.00 31.31 H new ATOM 0 HB VAL A 21 -2.926 -11.241 11.630 1.00 5.43 H new ATOM 0 HG11 VAL A 21 -1.136 -11.001 9.957 1.00 31.30 H new ATOM 0 HG12 VAL A 21 -2.501 -11.955 9.331 1.00 31.30 H new ATOM 0 HG13 VAL A 21 -2.296 -10.260 8.828 1.00 31.30 H new ATOM 0 HG21 VAL A 21 -1.520 -9.221 11.628 1.00 21.11 H new ATOM 0 HG22 VAL A 21 -2.695 -8.409 10.567 1.00 21.11 H new ATOM 0 HG23 VAL A 21 -3.164 -8.880 12.218 1.00 21.11 H new ATOM 375 N LYS A 28 -3.827 -10.835 17.320 1.00 71.34 N ATOM 376 CA LYS A 28 -2.870 -10.699 16.229 1.00 61.41 C ATOM 377 C LYS A 28 -3.408 -9.771 15.144 1.00 71.44 C ATOM 378 O LYS A 28 -3.964 -10.225 14.144 1.00 64.30 O ATOM 379 CB LYS A 28 -2.550 -12.070 15.629 1.00 20.32 C ATOM 380 CG LYS A 28 -1.424 -12.042 14.612 1.00 2.32 C ATOM 381 CD LYS A 28 -0.214 -12.822 15.097 1.00 13.33 C ATOM 382 CE LYS A 28 0.710 -11.952 15.938 1.00 45.20 C ATOM 383 NZ LYS A 28 0.997 -12.567 17.262 1.00 13.41 N ATOM 0 HA LYS A 28 -1.956 -10.264 16.634 1.00 61.41 H new ATOM 0 HB2 LYS A 28 -2.284 -12.756 16.433 1.00 20.32 H new ATOM 0 HB3 LYS A 28 -3.447 -12.468 15.154 1.00 20.32 H new ATOM 0 HG2 LYS A 28 -1.774 -12.462 13.669 1.00 2.32 H new ATOM 0 HG3 LYS A 28 -1.137 -11.009 14.414 1.00 2.32 H new ATOM 0 HD2 LYS A 28 -0.544 -13.679 15.685 1.00 13.33 H new ATOM 0 HD3 LYS A 28 0.334 -13.215 14.241 1.00 13.33 H new ATOM 0 HE2 LYS A 28 1.645 -11.791 15.402 1.00 45.20 H new ATOM 0 HE3 LYS A 28 0.254 -10.973 16.084 1.00 45.20 H new ATOM 0 HZ1 LYS A 28 1.629 -11.944 17.804 1.00 13.41 H new ATOM 0 HZ2 LYS A 28 0.107 -12.697 17.785 1.00 13.41 H new ATOM 0 HZ3 LYS A 28 1.455 -13.490 17.124 1.00 13.41 H new ATOM 397 N LYS A 29 -3.241 -8.470 15.349 1.00 2.42 N ATOM 398 CA LYS A 29 -3.708 -7.477 14.388 1.00 13.25 C ATOM 399 C LYS A 29 -2.531 -6.759 13.732 1.00 60.23 C ATOM 400 O LYS A 29 -1.393 -6.867 14.188 1.00 75.30 O ATOM 401 CB LYS A 29 -4.619 -6.460 15.077 1.00 42.45 C ATOM 402 CG LYS A 29 -5.896 -7.066 15.634 1.00 24.12 C ATOM 403 CD LYS A 29 -6.664 -6.067 16.482 1.00 60.01 C ATOM 404 CE LYS A 29 -5.956 -5.796 17.801 1.00 73.02 C ATOM 405 NZ LYS A 29 -6.663 -6.428 18.950 1.00 50.42 N ATOM 0 H LYS A 29 -2.785 -8.077 16.173 1.00 2.42 H new ATOM 0 HA LYS A 29 -4.273 -7.995 13.613 1.00 13.25 H new ATOM 0 HB2 LYS A 29 -4.069 -5.983 15.888 1.00 42.45 H new ATOM 0 HB3 LYS A 29 -4.879 -5.677 14.365 1.00 42.45 H new ATOM 0 HG2 LYS A 29 -6.526 -7.407 14.813 1.00 24.12 H new ATOM 0 HG3 LYS A 29 -5.652 -7.942 16.234 1.00 24.12 H new ATOM 0 HD2 LYS A 29 -6.780 -5.133 15.931 1.00 60.01 H new ATOM 0 HD3 LYS A 29 -7.666 -6.448 16.677 1.00 60.01 H new ATOM 0 HE2 LYS A 29 -4.935 -6.175 17.750 1.00 73.02 H new ATOM 0 HE3 LYS A 29 -5.889 -4.720 17.963 1.00 73.02 H new ATOM 0 HZ1 LYS A 29 -6.150 -6.220 19.830 1.00 50.42 H new ATOM 0 HZ2 LYS A 29 -7.629 -6.048 19.015 1.00 50.42 H new ATOM 0 HZ3 LYS A 29 -6.705 -7.457 18.808 1.00 50.42 H new ATOM 419 N PHE A 30 -2.814 -6.026 12.661 1.00 42.25 N ATOM 420 CA PHE A 30 -1.781 -5.290 11.944 1.00 3.13 C ATOM 421 C PHE A 30 -1.645 -3.871 12.488 1.00 70.41 C ATOM 422 O PHE A 30 -2.484 -3.408 13.260 1.00 41.03 O ATOM 423 CB PHE A 30 -2.101 -5.246 10.448 1.00 71.23 C ATOM 424 CG PHE A 30 -1.457 -6.353 9.664 1.00 30.34 C ATOM 425 CD1 PHE A 30 -2.219 -7.183 8.858 1.00 21.42 C ATOM 426 CD2 PHE A 30 -0.089 -6.563 9.733 1.00 33.14 C ATOM 427 CE1 PHE A 30 -1.629 -8.203 8.135 1.00 12.44 C ATOM 428 CE2 PHE A 30 0.507 -7.582 9.012 1.00 51.44 C ATOM 429 CZ PHE A 30 -0.265 -8.403 8.213 1.00 12.44 C ATOM 0 H PHE A 30 -3.751 -5.926 12.270 1.00 42.25 H new ATOM 0 HA PHE A 30 -0.834 -5.808 12.091 1.00 3.13 H new ATOM 0 HB2 PHE A 30 -3.182 -5.298 10.314 1.00 71.23 H new ATOM 0 HB3 PHE A 30 -1.775 -4.288 10.043 1.00 71.23 H new ATOM 0 HD1 PHE A 30 -3.286 -7.031 8.794 1.00 21.42 H new ATOM 0 HD2 PHE A 30 0.519 -5.924 10.357 1.00 33.14 H new ATOM 0 HE1 PHE A 30 -2.234 -8.843 7.510 1.00 12.44 H new ATOM 0 HE2 PHE A 30 1.574 -7.736 9.074 1.00 51.44 H new ATOM 0 HZ PHE A 30 0.198 -9.200 7.650 1.00 12.44 H new ATOM 439 N GLY A 31 -0.581 -3.185 12.081 1.00 62.31 N ATOM 440 CA GLY A 31 -0.354 -1.827 12.538 1.00 22.40 C ATOM 441 C GLY A 31 0.639 -1.081 11.668 1.00 61.44 C ATOM 442 O GLY A 31 0.988 -1.541 10.581 1.00 12.41 O ATOM 0 H GLY A 31 0.128 -3.546 11.443 1.00 62.31 H new ATOM 0 HA2 GLY A 31 -1.301 -1.287 12.548 1.00 22.40 H new ATOM 0 HA3 GLY A 31 0.012 -1.849 13.565 1.00 22.40 H new ATOM 446 N GLU A 32 1.092 0.073 12.147 1.00 1.13 N ATOM 447 CA GLU A 32 2.049 0.884 11.403 1.00 75.13 C ATOM 448 C GLU A 32 3.361 0.131 11.203 1.00 4.14 C ATOM 449 O GLU A 32 3.831 -0.028 10.077 1.00 14.23 O ATOM 450 CB GLU A 32 2.312 2.202 12.137 1.00 24.41 C ATOM 451 CG GLU A 32 3.275 3.122 11.406 1.00 12.33 C ATOM 452 CD GLU A 32 3.676 4.325 12.238 1.00 53.42 C ATOM 453 OE1 GLU A 32 3.481 5.464 11.765 1.00 13.22 O ATOM 454 OE2 GLU A 32 4.185 4.128 13.361 1.00 55.11 O ATOM 0 H GLU A 32 0.812 0.467 13.045 1.00 1.13 H new ATOM 0 HA GLU A 32 1.621 1.099 10.424 1.00 75.13 H new ATOM 0 HB2 GLU A 32 1.365 2.722 12.283 1.00 24.41 H new ATOM 0 HB3 GLU A 32 2.712 1.984 13.127 1.00 24.41 H new ATOM 0 HG2 GLU A 32 4.168 2.562 11.130 1.00 12.33 H new ATOM 0 HG3 GLU A 32 2.813 3.463 10.479 1.00 12.33 H new ATOM 461 N GLY A 33 3.947 -0.331 12.304 1.00 44.31 N ATOM 462 CA GLY A 33 5.199 -1.061 12.227 1.00 51.12 C ATOM 463 C GLY A 33 5.077 -2.336 11.417 1.00 20.15 C ATOM 464 O GLY A 33 5.876 -2.586 10.515 1.00 53.23 O ATOM 0 H GLY A 33 3.577 -0.213 13.247 1.00 44.31 H new ATOM 0 HA2 GLY A 33 5.962 -0.422 11.781 1.00 51.12 H new ATOM 0 HA3 GLY A 33 5.536 -1.305 13.234 1.00 51.12 H new ATOM 468 N ASN A 34 4.075 -3.147 11.741 1.00 23.24 N ATOM 469 CA ASN A 34 3.853 -4.406 11.038 1.00 1.13 C ATOM 470 C ASN A 34 3.650 -4.167 9.544 1.00 31.34 C ATOM 471 O ASN A 34 4.275 -4.821 8.709 1.00 23.14 O ATOM 472 CB ASN A 34 2.639 -5.133 11.619 1.00 50.22 C ATOM 473 CG ASN A 34 2.718 -5.275 13.127 1.00 55.42 C ATOM 474 OD1 ASN A 34 1.987 -4.612 13.863 1.00 41.25 O ATOM 475 ND2 ASN A 34 3.609 -6.142 13.594 1.00 45.31 N ATOM 0 H ASN A 34 3.404 -2.955 12.485 1.00 23.24 H new ATOM 0 HA ASN A 34 4.738 -5.028 11.172 1.00 1.13 H new ATOM 0 HB2 ASN A 34 1.732 -4.589 11.355 1.00 50.22 H new ATOM 0 HB3 ASN A 34 2.560 -6.122 11.167 1.00 50.22 H new ATOM 0 HD21 ASN A 34 3.708 -6.280 14.600 1.00 45.31 H new ATOM 0 HD22 ASN A 34 4.194 -6.670 12.947 1.00 45.31 H new ATOM 482 N PHE A 35 2.773 -3.225 9.216 1.00 62.14 N ATOM 483 CA PHE A 35 2.486 -2.898 7.824 1.00 61.50 C ATOM 484 C PHE A 35 3.773 -2.615 7.056 1.00 4.43 C ATOM 485 O PHE A 35 3.948 -3.072 5.925 1.00 31.12 O ATOM 486 CB PHE A 35 1.554 -1.688 7.743 1.00 31.31 C ATOM 487 CG PHE A 35 1.404 -1.138 6.353 1.00 73.11 C ATOM 488 CD1 PHE A 35 1.627 0.205 6.098 1.00 42.42 C ATOM 489 CD2 PHE A 35 1.042 -1.965 5.302 1.00 40.32 C ATOM 490 CE1 PHE A 35 1.490 0.715 4.821 1.00 44.30 C ATOM 491 CE2 PHE A 35 0.904 -1.461 4.022 1.00 34.32 C ATOM 492 CZ PHE A 35 1.128 -0.120 3.781 1.00 72.25 C ATOM 0 H PHE A 35 2.248 -2.674 9.895 1.00 62.14 H new ATOM 0 HA PHE A 35 1.993 -3.758 7.369 1.00 61.50 H new ATOM 0 HB2 PHE A 35 0.572 -1.970 8.121 1.00 31.31 H new ATOM 0 HB3 PHE A 35 1.934 -0.903 8.397 1.00 31.31 H new ATOM 0 HD1 PHE A 35 1.911 0.862 6.907 1.00 42.42 H new ATOM 0 HD2 PHE A 35 0.866 -3.015 5.485 1.00 40.32 H new ATOM 0 HE1 PHE A 35 1.666 1.764 4.636 1.00 44.30 H new ATOM 0 HE2 PHE A 35 0.621 -2.116 3.211 1.00 34.32 H new ATOM 0 HZ PHE A 35 1.021 0.276 2.782 1.00 72.25 H new ATOM 502 N ARG A 36 4.671 -1.859 7.677 1.00 15.45 N ATOM 503 CA ARG A 36 5.943 -1.512 7.051 1.00 73.24 C ATOM 504 C ARG A 36 6.754 -2.766 6.740 1.00 4.41 C ATOM 505 O ARG A 36 7.276 -2.921 5.635 1.00 43.14 O ATOM 506 CB ARG A 36 6.748 -0.585 7.963 1.00 55.14 C ATOM 507 CG ARG A 36 6.019 0.699 8.325 1.00 61.14 C ATOM 508 CD ARG A 36 6.522 1.876 7.505 1.00 4.22 C ATOM 509 NE ARG A 36 5.975 3.144 7.974 1.00 55.54 N ATOM 510 CZ ARG A 36 6.357 3.739 9.099 1.00 33.13 C ATOM 511 NH1 ARG A 36 7.285 3.181 9.866 1.00 3.31 N ATOM 512 NH2 ARG A 36 5.812 4.893 9.460 1.00 12.02 N ATOM 0 H ARG A 36 4.543 -1.474 8.613 1.00 15.45 H new ATOM 0 HA ARG A 36 5.731 -0.995 6.115 1.00 73.24 H new ATOM 0 HB2 ARG A 36 7.000 -1.120 8.879 1.00 55.14 H new ATOM 0 HB3 ARG A 36 7.688 -0.333 7.472 1.00 55.14 H new ATOM 0 HG2 ARG A 36 4.949 0.570 8.160 1.00 61.14 H new ATOM 0 HG3 ARG A 36 6.155 0.909 9.386 1.00 61.14 H new ATOM 0 HD2 ARG A 36 7.610 1.911 7.552 1.00 4.22 H new ATOM 0 HD3 ARG A 36 6.253 1.730 6.459 1.00 4.22 H new ATOM 0 HE ARG A 36 5.260 3.599 7.407 1.00 55.54 H new ATOM 0 HH11 ARG A 36 7.707 2.293 9.592 1.00 3.31 H new ATOM 0 HH12 ARG A 36 7.577 3.640 10.729 1.00 3.31 H new ATOM 0 HH21 ARG A 36 5.098 5.325 8.874 1.00 12.02 H new ATOM 0 HH22 ARG A 36 6.107 5.348 10.324 1.00 12.02 H new ATOM 526 N TRP A 37 6.858 -3.657 7.718 1.00 72.03 N ATOM 527 CA TRP A 37 7.606 -4.898 7.548 1.00 52.52 C ATOM 528 C TRP A 37 7.096 -5.679 6.342 1.00 1.23 C ATOM 529 O TRP A 37 7.870 -6.330 5.641 1.00 11.32 O ATOM 530 CB TRP A 37 7.504 -5.756 8.809 1.00 5.20 C ATOM 531 CG TRP A 37 8.014 -7.153 8.619 1.00 71.24 C ATOM 532 CD1 TRP A 37 9.248 -7.628 8.957 1.00 34.33 C ATOM 533 CD2 TRP A 37 7.302 -8.255 8.045 1.00 42.43 C ATOM 534 NE1 TRP A 37 9.347 -8.958 8.628 1.00 4.44 N ATOM 535 CE2 TRP A 37 8.166 -9.367 8.067 1.00 41.44 C ATOM 536 CE3 TRP A 37 6.017 -8.410 7.515 1.00 11.24 C ATOM 537 CZ2 TRP A 37 7.786 -10.614 7.579 1.00 75.43 C ATOM 538 CZ3 TRP A 37 5.642 -9.649 7.031 1.00 13.41 C ATOM 539 CH2 TRP A 37 6.523 -10.738 7.067 1.00 4.11 C ATOM 0 H TRP A 37 6.434 -3.544 8.639 1.00 72.03 H new ATOM 0 HA TRP A 37 8.652 -4.643 7.376 1.00 52.52 H new ATOM 0 HB2 TRP A 37 8.065 -5.278 9.612 1.00 5.20 H new ATOM 0 HB3 TRP A 37 6.463 -5.797 9.129 1.00 5.20 H new ATOM 0 HD1 TRP A 37 10.032 -7.044 9.416 1.00 34.33 H new ATOM 0 HE1 TRP A 37 10.167 -9.546 8.777 1.00 4.44 H new ATOM 0 HE3 TRP A 37 5.330 -7.577 7.485 1.00 11.24 H new ATOM 0 HZ2 TRP A 37 8.464 -11.454 7.604 1.00 75.43 H new ATOM 0 HZ3 TRP A 37 4.653 -9.780 6.618 1.00 13.41 H new ATOM 0 HH2 TRP A 37 6.199 -11.694 6.683 1.00 4.11 H new ATOM 550 N ALA A 38 5.790 -5.611 6.107 1.00 14.25 N ATOM 551 CA ALA A 38 5.179 -6.310 4.984 1.00 30.40 C ATOM 552 C ALA A 38 5.513 -5.627 3.662 1.00 75.02 C ATOM 553 O ALA A 38 6.182 -6.205 2.807 1.00 3.42 O ATOM 554 CB ALA A 38 3.671 -6.393 5.171 1.00 70.23 C ATOM 0 H ALA A 38 5.135 -5.079 6.680 1.00 14.25 H new ATOM 0 HA ALA A 38 5.587 -7.320 4.953 1.00 30.40 H new ATOM 0 HB1 ALA A 38 3.228 -6.918 4.325 1.00 70.23 H new ATOM 0 HB2 ALA A 38 3.448 -6.934 6.091 1.00 70.23 H new ATOM 0 HB3 ALA A 38 3.256 -5.387 5.232 1.00 70.23 H new ATOM 560 N ILE A 39 5.042 -4.395 3.504 1.00 20.11 N ATOM 561 CA ILE A 39 5.292 -3.633 2.287 1.00 25.11 C ATOM 562 C ILE A 39 6.780 -3.598 1.956 1.00 22.33 C ATOM 563 O ILE A 39 7.169 -3.681 0.791 1.00 11.32 O ATOM 564 CB ILE A 39 4.771 -2.189 2.410 1.00 42.41 C ATOM 565 CG1 ILE A 39 5.049 -1.412 1.121 1.00 30.02 C ATOM 566 CG2 ILE A 39 5.411 -1.494 3.602 1.00 2.04 C ATOM 567 CD1 ILE A 39 4.445 -0.025 1.108 1.00 74.33 C ATOM 0 H ILE A 39 4.485 -3.903 4.203 1.00 20.11 H new ATOM 0 HA ILE A 39 4.755 -4.137 1.483 1.00 25.11 H new ATOM 0 HB ILE A 39 3.693 -2.220 2.569 1.00 42.41 H new ATOM 0 HG12 ILE A 39 6.127 -1.331 0.981 1.00 30.02 H new ATOM 0 HG13 ILE A 39 4.659 -1.977 0.275 1.00 30.02 H new ATOM 0 HG21 ILE A 39 5.032 -0.474 3.675 1.00 2.04 H new ATOM 0 HG22 ILE A 39 5.167 -2.038 4.514 1.00 2.04 H new ATOM 0 HG23 ILE A 39 6.493 -1.471 3.472 1.00 2.04 H new ATOM 0 HD11 ILE A 39 4.683 0.466 0.165 1.00 74.33 H new ATOM 0 HD12 ILE A 39 3.363 -0.098 1.217 1.00 74.33 H new ATOM 0 HD13 ILE A 39 4.854 0.558 1.934 1.00 74.33 H new ATOM 579 N ARG A 40 7.608 -3.477 2.988 1.00 70.34 N ATOM 580 CA ARG A 40 9.053 -3.433 2.808 1.00 0.45 C ATOM 581 C ARG A 40 9.571 -4.750 2.240 1.00 4.11 C ATOM 582 O ARG A 40 10.219 -4.775 1.193 1.00 0.43 O ATOM 583 CB ARG A 40 9.746 -3.131 4.138 1.00 13.04 C ATOM 584 CG ARG A 40 11.257 -3.018 4.025 1.00 32.04 C ATOM 585 CD ARG A 40 11.865 -2.404 5.277 1.00 71.13 C ATOM 586 NE ARG A 40 11.941 -0.949 5.192 1.00 51.34 N ATOM 587 CZ ARG A 40 12.102 -0.158 6.247 1.00 12.34 C ATOM 588 NH1 ARG A 40 12.205 -0.679 7.461 1.00 60.32 N ATOM 589 NH2 ARG A 40 12.162 1.159 6.087 1.00 74.51 N ATOM 0 H ARG A 40 7.302 -3.408 3.959 1.00 70.34 H new ATOM 0 HA ARG A 40 9.281 -2.637 2.099 1.00 0.45 H new ATOM 0 HB2 ARG A 40 9.350 -2.199 4.541 1.00 13.04 H new ATOM 0 HB3 ARG A 40 9.501 -3.917 4.852 1.00 13.04 H new ATOM 0 HG2 ARG A 40 11.685 -4.006 3.858 1.00 32.04 H new ATOM 0 HG3 ARG A 40 11.514 -2.409 3.158 1.00 32.04 H new ATOM 0 HD2 ARG A 40 11.269 -2.686 6.145 1.00 71.13 H new ATOM 0 HD3 ARG A 40 12.864 -2.811 5.431 1.00 71.13 H new ATOM 0 HE ARG A 40 11.866 -0.516 4.272 1.00 51.34 H new ATOM 0 HH11 ARG A 40 12.161 -1.690 7.587 1.00 60.32 H new ATOM 0 HH12 ARG A 40 12.329 -0.069 8.269 1.00 60.32 H new ATOM 0 HH21 ARG A 40 12.084 1.563 5.154 1.00 74.51 H new ATOM 0 HH22 ARG A 40 12.286 1.766 6.897 1.00 74.51 H new ATOM 603 N MET A 41 9.282 -5.844 2.937 1.00 51.02 N ATOM 604 CA MET A 41 9.718 -7.166 2.501 1.00 1.33 C ATOM 605 C MET A 41 9.188 -7.479 1.105 1.00 31.25 C ATOM 606 O MET A 41 9.917 -7.991 0.256 1.00 23.40 O ATOM 607 CB MET A 41 9.247 -8.233 3.490 1.00 5.13 C ATOM 608 CG MET A 41 10.132 -8.355 4.720 1.00 51.42 C ATOM 609 SD MET A 41 10.778 -10.022 4.949 1.00 2.32 S ATOM 610 CE MET A 41 12.053 -9.726 6.171 1.00 31.21 C ATOM 0 H MET A 41 8.748 -5.841 3.806 1.00 51.02 H new ATOM 0 HA MET A 41 10.807 -7.170 2.466 1.00 1.33 H new ATOM 0 HB2 MET A 41 8.230 -8.000 3.806 1.00 5.13 H new ATOM 0 HB3 MET A 41 9.210 -9.197 2.982 1.00 5.13 H new ATOM 0 HG2 MET A 41 10.964 -7.656 4.635 1.00 51.42 H new ATOM 0 HG3 MET A 41 9.562 -8.066 5.603 1.00 51.42 H new ATOM 0 HE1 MET A 41 12.546 -10.666 6.417 1.00 31.21 H new ATOM 0 HE2 MET A 41 12.786 -9.026 5.770 1.00 31.21 H new ATOM 0 HE3 MET A 41 11.604 -9.305 7.071 1.00 31.21 H new ATOM 620 N ALA A 42 7.917 -7.170 0.876 1.00 71.24 N ATOM 621 CA ALA A 42 7.291 -7.419 -0.417 1.00 42.34 C ATOM 622 C ALA A 42 8.066 -6.739 -1.542 1.00 74.53 C ATOM 623 O ALA A 42 8.258 -7.315 -2.611 1.00 31.11 O ATOM 624 CB ALA A 42 5.847 -6.941 -0.404 1.00 44.44 C ATOM 0 H ALA A 42 7.300 -6.747 1.569 1.00 71.24 H new ATOM 0 HA ALA A 42 7.305 -8.494 -0.600 1.00 42.34 H new ATOM 0 HB1 ALA A 42 5.391 -7.133 -1.375 1.00 44.44 H new ATOM 0 HB2 ALA A 42 5.294 -7.476 0.368 1.00 44.44 H new ATOM 0 HB3 ALA A 42 5.820 -5.872 -0.195 1.00 44.44 H new ATOM 630 N ASN A 43 8.508 -5.511 -1.290 1.00 45.51 N ATOM 631 CA ASN A 43 9.261 -4.753 -2.283 1.00 34.12 C ATOM 632 C ASN A 43 10.585 -5.440 -2.603 1.00 21.24 C ATOM 633 O ASN A 43 10.888 -5.720 -3.763 1.00 32.21 O ATOM 634 CB ASN A 43 9.520 -3.331 -1.780 1.00 24.12 C ATOM 635 CG ASN A 43 8.237 -2.559 -1.541 1.00 62.53 C ATOM 636 OD1 ASN A 43 7.175 -2.930 -2.041 1.00 44.55 O ATOM 637 ND2 ASN A 43 8.330 -1.480 -0.773 1.00 43.21 N ATOM 0 H ASN A 43 8.358 -5.020 -0.408 1.00 45.51 H new ATOM 0 HA ASN A 43 8.667 -4.706 -3.196 1.00 34.12 H new ATOM 0 HB2 ASN A 43 10.092 -3.375 -0.853 1.00 24.12 H new ATOM 0 HB3 ASN A 43 10.132 -2.797 -2.507 1.00 24.12 H new ATOM 0 HD21 ASN A 43 7.500 -0.921 -0.576 1.00 43.21 H new ATOM 0 HD22 ASN A 43 9.232 -1.210 -0.380 1.00 43.21 H new ATOM 644 N VAL A 44 11.371 -5.711 -1.565 1.00 11.34 N ATOM 645 CA VAL A 44 12.662 -6.367 -1.735 1.00 53.04 C ATOM 646 C VAL A 44 12.503 -7.731 -2.396 1.00 42.05 C ATOM 647 O VAL A 44 13.251 -8.082 -3.308 1.00 53.43 O ATOM 648 CB VAL A 44 13.383 -6.545 -0.385 1.00 52.51 C ATOM 649 CG1 VAL A 44 14.753 -7.171 -0.590 1.00 10.13 C ATOM 650 CG2 VAL A 44 13.499 -5.210 0.335 1.00 0.01 C ATOM 0 H VAL A 44 11.136 -5.486 -0.598 1.00 11.34 H new ATOM 0 HA VAL A 44 13.262 -5.723 -2.378 1.00 53.04 H new ATOM 0 HB VAL A 44 12.793 -7.218 0.237 1.00 52.51 H new ATOM 0 HG11 VAL A 44 15.247 -7.289 0.374 1.00 10.13 H new ATOM 0 HG12 VAL A 44 14.640 -8.147 -1.062 1.00 10.13 H new ATOM 0 HG13 VAL A 44 15.356 -6.526 -1.230 1.00 10.13 H new ATOM 0 HG21 VAL A 44 14.011 -5.353 1.287 1.00 0.01 H new ATOM 0 HG22 VAL A 44 14.067 -4.513 -0.281 1.00 0.01 H new ATOM 0 HG23 VAL A 44 12.503 -4.806 0.516 1.00 0.01 H new ATOM 660 N SER A 45 11.521 -8.497 -1.931 1.00 70.13 N ATOM 661 CA SER A 45 11.264 -9.825 -2.476 1.00 72.40 C ATOM 662 C SER A 45 11.052 -9.762 -3.985 1.00 41.13 C ATOM 663 O SER A 45 11.297 -10.734 -4.700 1.00 23.34 O ATOM 664 CB SER A 45 10.039 -10.447 -1.803 1.00 72.43 C ATOM 665 OG SER A 45 9.788 -11.749 -2.304 1.00 41.22 O ATOM 0 H SER A 45 10.891 -8.221 -1.178 1.00 70.13 H new ATOM 0 HA SER A 45 12.136 -10.448 -2.275 1.00 72.40 H new ATOM 0 HB2 SER A 45 10.196 -10.493 -0.725 1.00 72.43 H new ATOM 0 HB3 SER A 45 9.167 -9.815 -1.972 1.00 72.43 H new ATOM 0 HG SER A 45 9.107 -12.186 -1.752 1.00 41.22 H new ATOM 671 N THR A 46 10.593 -8.610 -4.465 1.00 34.44 N ATOM 672 CA THR A 46 10.347 -8.418 -5.888 1.00 53.05 C ATOM 673 C THR A 46 11.514 -7.702 -6.557 1.00 13.30 C ATOM 674 O THR A 46 11.703 -7.798 -7.769 1.00 70.23 O ATOM 675 CB THR A 46 9.057 -7.612 -6.131 1.00 73.13 C ATOM 676 OG1 THR A 46 8.852 -6.682 -5.062 1.00 13.10 O ATOM 677 CG2 THR A 46 7.854 -8.536 -6.244 1.00 50.22 C ATOM 0 H THR A 46 10.384 -7.795 -3.888 1.00 34.44 H new ATOM 0 HA THR A 46 10.235 -9.410 -6.326 1.00 53.05 H new ATOM 0 HB THR A 46 9.166 -7.068 -7.069 1.00 73.13 H new ATOM 0 HG1 THR A 46 8.301 -7.099 -4.367 1.00 13.10 H new ATOM 0 HG21 THR A 46 6.955 -7.944 -6.415 1.00 50.22 H new ATOM 0 HG22 THR A 46 8.000 -9.223 -7.077 1.00 50.22 H new ATOM 0 HG23 THR A 46 7.744 -9.104 -5.320 1.00 50.22 H new ATOM 685 N GLY A 47 12.297 -6.982 -5.759 1.00 54.11 N ATOM 686 CA GLY A 47 13.437 -6.260 -6.292 1.00 74.01 C ATOM 687 C GLY A 47 13.047 -4.927 -6.900 1.00 23.23 C ATOM 688 O GLY A 47 13.711 -4.436 -7.813 1.00 54.41 O ATOM 0 H GLY A 47 12.162 -6.886 -4.753 1.00 54.11 H new ATOM 0 HA2 GLY A 47 14.163 -6.094 -5.496 1.00 74.01 H new ATOM 0 HA3 GLY A 47 13.929 -6.871 -7.049 1.00 74.01 H new ATOM 692 N ARG A 48 11.965 -4.343 -6.395 1.00 2.42 N ATOM 693 CA ARG A 48 11.486 -3.060 -6.898 1.00 74.51 C ATOM 694 C ARG A 48 12.116 -1.904 -6.126 1.00 71.31 C ATOM 695 O ARG A 48 11.423 -0.987 -5.688 1.00 31.21 O ATOM 696 CB ARG A 48 9.962 -2.986 -6.793 1.00 42.25 C ATOM 697 CG ARG A 48 9.241 -3.990 -7.678 1.00 51.52 C ATOM 698 CD ARG A 48 8.152 -3.324 -8.504 1.00 42.33 C ATOM 699 NE ARG A 48 8.686 -2.277 -9.372 1.00 23.35 N ATOM 700 CZ ARG A 48 7.941 -1.566 -10.211 1.00 74.20 C ATOM 701 NH1 ARG A 48 6.636 -1.787 -10.293 1.00 52.42 N ATOM 702 NH2 ARG A 48 8.501 -0.632 -10.969 1.00 62.25 N ATOM 0 H ARG A 48 11.404 -4.737 -5.639 1.00 2.42 H new ATOM 0 HA ARG A 48 11.777 -2.976 -7.945 1.00 74.51 H new ATOM 0 HB2 ARG A 48 9.669 -3.152 -5.756 1.00 42.25 H new ATOM 0 HB3 ARG A 48 9.636 -1.980 -7.059 1.00 42.25 H new ATOM 0 HG2 ARG A 48 9.958 -4.473 -8.342 1.00 51.52 H new ATOM 0 HG3 ARG A 48 8.802 -4.773 -7.059 1.00 51.52 H new ATOM 0 HD2 ARG A 48 7.647 -4.075 -9.111 1.00 42.33 H new ATOM 0 HD3 ARG A 48 7.403 -2.896 -7.838 1.00 42.33 H new ATOM 0 HE ARG A 48 9.686 -2.081 -9.331 1.00 23.35 H new ATOM 0 HH11 ARG A 48 6.203 -2.504 -9.711 1.00 52.42 H new ATOM 0 HH12 ARG A 48 6.066 -1.240 -10.938 1.00 52.42 H new ATOM 0 HH21 ARG A 48 9.504 -0.459 -10.908 1.00 62.25 H new ATOM 0 HH22 ARG A 48 7.928 -0.087 -11.613 1.00 62.25 H new ATOM 716 N GLU A 49 13.434 -1.957 -5.964 1.00 33.03 N ATOM 717 CA GLU A 49 14.158 -0.914 -5.244 1.00 65.45 C ATOM 718 C GLU A 49 13.712 -0.851 -3.786 1.00 62.11 C ATOM 719 O GLU A 49 12.640 -1.333 -3.417 1.00 33.23 O ATOM 720 CB GLU A 49 13.941 0.444 -5.915 1.00 62.50 C ATOM 721 CG GLU A 49 15.128 0.911 -6.740 1.00 44.31 C ATOM 722 CD GLU A 49 15.182 0.258 -8.108 1.00 71.13 C ATOM 723 OE1 GLU A 49 14.780 0.912 -9.093 1.00 72.54 O ATOM 724 OE2 GLU A 49 15.625 -0.906 -8.193 1.00 31.20 O ATOM 0 H GLU A 49 14.022 -2.710 -6.321 1.00 33.03 H new ATOM 0 HA GLU A 49 15.220 -1.159 -5.271 1.00 65.45 H new ATOM 0 HB2 GLU A 49 13.063 0.386 -6.558 1.00 62.50 H new ATOM 0 HB3 GLU A 49 13.726 1.189 -5.148 1.00 62.50 H new ATOM 0 HG2 GLU A 49 15.079 1.993 -6.860 1.00 44.31 H new ATOM 0 HG3 GLU A 49 16.049 0.692 -6.200 1.00 44.31 H new ATOM 731 N PRO A 50 14.552 -0.242 -2.937 1.00 54.40 N ATOM 732 CA PRO A 50 14.267 -0.100 -1.507 1.00 32.33 C ATOM 733 C PRO A 50 13.130 0.879 -1.236 1.00 65.21 C ATOM 734 O PRO A 50 12.209 0.581 -0.475 1.00 51.52 O ATOM 735 CB PRO A 50 15.582 0.437 -0.934 1.00 73.34 C ATOM 736 CG PRO A 50 16.239 1.127 -2.078 1.00 43.33 C ATOM 737 CD PRO A 50 15.846 0.356 -3.308 1.00 23.23 C ATOM 0 HA PRO A 50 13.944 -1.041 -1.061 1.00 32.33 H new ATOM 0 HB2 PRO A 50 15.402 1.124 -0.107 1.00 73.34 H new ATOM 0 HB3 PRO A 50 16.205 -0.370 -0.548 1.00 73.34 H new ATOM 0 HG2 PRO A 50 15.913 2.165 -2.147 1.00 43.33 H new ATOM 0 HG3 PRO A 50 17.322 1.141 -1.956 1.00 43.33 H new ATOM 0 HD2 PRO A 50 15.753 1.007 -4.178 1.00 23.23 H new ATOM 0 HD3 PRO A 50 16.584 -0.406 -3.557 1.00 23.23 H new ATOM 745 N GLY A 51 13.199 2.048 -1.864 1.00 64.11 N ATOM 746 CA GLY A 51 12.168 3.053 -1.679 1.00 22.30 C ATOM 747 C GLY A 51 10.989 2.853 -2.612 1.00 34.01 C ATOM 748 O GLY A 51 10.781 3.639 -3.536 1.00 1.41 O ATOM 0 H GLY A 51 13.951 2.318 -2.498 1.00 64.11 H new ATOM 0 HA2 GLY A 51 11.819 3.026 -0.647 1.00 22.30 H new ATOM 0 HA3 GLY A 51 12.595 4.042 -1.845 1.00 22.30 H new ATOM 752 N ASP A 52 10.218 1.799 -2.369 1.00 4.11 N ATOM 753 CA ASP A 52 9.054 1.499 -3.196 1.00 32.33 C ATOM 754 C ASP A 52 7.765 1.660 -2.396 1.00 44.20 C ATOM 755 O ASP A 52 7.129 0.675 -2.020 1.00 43.31 O ATOM 756 CB ASP A 52 9.150 0.076 -3.751 1.00 55.32 C ATOM 757 CG ASP A 52 8.388 -0.090 -5.051 1.00 72.44 C ATOM 758 OD1 ASP A 52 7.964 -1.227 -5.349 1.00 54.43 O ATOM 759 OD2 ASP A 52 8.213 0.916 -5.768 1.00 43.31 O ATOM 0 H ASP A 52 10.377 1.139 -1.608 1.00 4.11 H new ATOM 0 HA ASP A 52 9.036 2.204 -4.027 1.00 32.33 H new ATOM 0 HB2 ASP A 52 10.198 -0.178 -3.912 1.00 55.32 H new ATOM 0 HB3 ASP A 52 8.761 -0.626 -3.013 1.00 55.32 H new ATOM 764 N ILE A 53 7.385 2.907 -2.141 1.00 14.54 N ATOM 765 CA ILE A 53 6.173 3.197 -1.387 1.00 72.12 C ATOM 766 C ILE A 53 5.167 3.966 -2.237 1.00 30.04 C ATOM 767 O ILE A 53 4.983 5.174 -2.084 1.00 42.11 O ATOM 768 CB ILE A 53 6.480 4.010 -0.115 1.00 15.15 C ATOM 769 CG1 ILE A 53 7.640 3.374 0.655 1.00 73.21 C ATOM 770 CG2 ILE A 53 5.243 4.107 0.764 1.00 75.55 C ATOM 771 CD1 ILE A 53 8.007 4.120 1.918 1.00 73.22 C ATOM 0 H ILE A 53 7.900 3.733 -2.446 1.00 14.54 H new ATOM 0 HA ILE A 53 5.744 2.237 -1.100 1.00 72.12 H new ATOM 0 HB ILE A 53 6.772 5.018 -0.408 1.00 15.15 H new ATOM 0 HG12 ILE A 53 7.376 2.348 0.912 1.00 73.21 H new ATOM 0 HG13 ILE A 53 8.513 3.325 0.005 1.00 73.21 H new ATOM 0 HG21 ILE A 53 5.477 4.684 1.659 1.00 75.55 H new ATOM 0 HG22 ILE A 53 4.443 4.600 0.213 1.00 75.55 H new ATOM 0 HG23 ILE A 53 4.922 3.106 1.052 1.00 75.55 H new ATOM 0 HD11 ILE A 53 8.836 3.613 2.412 1.00 73.22 H new ATOM 0 HD12 ILE A 53 8.303 5.138 1.666 1.00 73.22 H new ATOM 0 HD13 ILE A 53 7.147 4.147 2.588 1.00 73.22 H new ATOM 783 N PRO A 54 4.499 3.251 -3.154 1.00 64.12 N ATOM 784 CA PRO A 54 3.498 3.846 -4.046 1.00 32.20 C ATOM 785 C PRO A 54 2.232 4.259 -3.302 1.00 43.22 C ATOM 786 O PRO A 54 2.189 4.236 -2.073 1.00 51.43 O ATOM 787 CB PRO A 54 3.192 2.719 -5.036 1.00 4.51 C ATOM 788 CG PRO A 54 3.517 1.467 -4.298 1.00 33.13 C ATOM 789 CD PRO A 54 4.667 1.808 -3.391 1.00 74.24 C ATOM 0 HA PRO A 54 3.862 4.759 -4.517 1.00 32.20 H new ATOM 0 HB2 PRO A 54 2.147 2.736 -5.345 1.00 4.51 H new ATOM 0 HB3 PRO A 54 3.793 2.813 -5.940 1.00 4.51 H new ATOM 0 HG2 PRO A 54 2.658 1.118 -3.725 1.00 33.13 H new ATOM 0 HG3 PRO A 54 3.787 0.667 -4.987 1.00 33.13 H new ATOM 0 HD2 PRO A 54 4.627 1.241 -2.461 1.00 74.24 H new ATOM 0 HD3 PRO A 54 5.627 1.587 -3.858 1.00 74.24 H new ATOM 797 N GLU A 55 1.205 4.636 -4.057 1.00 42.45 N ATOM 798 CA GLU A 55 -0.062 5.056 -3.468 1.00 4.11 C ATOM 799 C GLU A 55 -1.199 4.925 -4.477 1.00 41.32 C ATOM 800 O GLU A 55 -1.973 5.862 -4.682 1.00 64.34 O ATOM 801 CB GLU A 55 0.035 6.501 -2.975 1.00 74.34 C ATOM 802 CG GLU A 55 -0.780 6.770 -1.719 1.00 4.22 C ATOM 803 CD GLU A 55 -2.257 6.950 -2.010 1.00 64.24 C ATOM 804 OE1 GLU A 55 -2.597 7.827 -2.832 1.00 71.35 O ATOM 805 OE2 GLU A 55 -3.073 6.213 -1.417 1.00 40.35 O ATOM 0 H GLU A 55 1.225 4.659 -5.077 1.00 42.45 H new ATOM 0 HA GLU A 55 -0.275 4.405 -2.620 1.00 4.11 H new ATOM 0 HB2 GLU A 55 1.080 6.740 -2.778 1.00 74.34 H new ATOM 0 HB3 GLU A 55 -0.301 7.170 -3.767 1.00 74.34 H new ATOM 0 HG2 GLU A 55 -0.649 5.943 -1.021 1.00 4.22 H new ATOM 0 HG3 GLU A 55 -0.399 7.665 -1.228 1.00 4.22 H new ATOM 812 N THR A 56 -1.296 3.757 -5.104 1.00 50.23 N ATOM 813 CA THR A 56 -2.337 3.504 -6.092 1.00 51.24 C ATOM 814 C THR A 56 -2.806 2.054 -6.038 1.00 53.54 C ATOM 815 O THR A 56 -2.006 1.140 -5.836 1.00 12.12 O ATOM 816 CB THR A 56 -1.848 3.821 -7.518 1.00 10.11 C ATOM 817 OG1 THR A 56 -0.951 2.799 -7.966 1.00 31.35 O ATOM 818 CG2 THR A 56 -1.150 5.171 -7.563 1.00 52.41 C ATOM 0 H THR A 56 -0.666 2.971 -4.945 1.00 50.23 H new ATOM 0 HA THR A 56 -3.171 4.162 -5.848 1.00 51.24 H new ATOM 0 HB THR A 56 -2.716 3.857 -8.177 1.00 10.11 H new ATOM 0 HG1 THR A 56 -1.015 2.711 -8.940 1.00 31.35 H new ATOM 0 HG21 THR A 56 -0.814 5.373 -8.580 1.00 52.41 H new ATOM 0 HG22 THR A 56 -1.844 5.950 -7.249 1.00 52.41 H new ATOM 0 HG23 THR A 56 -0.291 5.159 -6.892 1.00 52.41 H new ATOM 826 N LEU A 57 -4.106 1.851 -6.220 1.00 63.10 N ATOM 827 CA LEU A 57 -4.681 0.511 -6.193 1.00 51.32 C ATOM 828 C LEU A 57 -4.009 -0.391 -7.223 1.00 60.34 C ATOM 829 O LEU A 57 -3.977 -1.612 -7.066 1.00 51.15 O ATOM 830 CB LEU A 57 -6.186 0.575 -6.460 1.00 55.13 C ATOM 831 CG LEU A 57 -6.994 -0.657 -6.050 1.00 62.31 C ATOM 832 CD1 LEU A 57 -7.130 -0.728 -4.537 1.00 11.11 C ATOM 833 CD2 LEU A 57 -8.364 -0.639 -6.711 1.00 63.40 C ATOM 0 H LEU A 57 -4.781 2.597 -6.388 1.00 63.10 H new ATOM 0 HA LEU A 57 -4.511 0.090 -5.202 1.00 51.32 H new ATOM 0 HB2 LEU A 57 -6.591 1.441 -5.936 1.00 55.13 H new ATOM 0 HB3 LEU A 57 -6.339 0.747 -7.526 1.00 55.13 H new ATOM 0 HG LEU A 57 -6.461 -1.546 -6.387 1.00 62.31 H new ATOM 0 HD11 LEU A 57 -7.708 -1.611 -4.265 1.00 11.11 H new ATOM 0 HD12 LEU A 57 -6.140 -0.789 -4.085 1.00 11.11 H new ATOM 0 HD13 LEU A 57 -7.640 0.165 -4.175 1.00 11.11 H new ATOM 0 HD21 LEU A 57 -8.926 -1.523 -6.408 1.00 63.40 H new ATOM 0 HD22 LEU A 57 -8.904 0.257 -6.404 1.00 63.40 H new ATOM 0 HD23 LEU A 57 -8.245 -0.638 -7.795 1.00 63.40 H new ATOM 845 N ASP A 58 -3.472 0.217 -8.274 1.00 3.11 N ATOM 846 CA ASP A 58 -2.797 -0.531 -9.329 1.00 15.32 C ATOM 847 C ASP A 58 -1.431 -1.020 -8.858 1.00 3.24 C ATOM 848 O ASP A 58 -1.068 -2.176 -9.074 1.00 41.05 O ATOM 849 CB ASP A 58 -2.639 0.338 -10.578 1.00 65.42 C ATOM 850 CG ASP A 58 -3.601 -0.057 -11.682 1.00 0.44 C ATOM 851 OD1 ASP A 58 -3.136 -0.297 -12.816 1.00 61.32 O ATOM 852 OD2 ASP A 58 -4.818 -0.126 -11.411 1.00 5.15 O ATOM 0 H ASP A 58 -3.491 1.226 -8.419 1.00 3.11 H new ATOM 0 HA ASP A 58 -3.409 -1.399 -9.575 1.00 15.32 H new ATOM 0 HB2 ASP A 58 -2.803 1.383 -10.314 1.00 65.42 H new ATOM 0 HB3 ASP A 58 -1.616 0.259 -10.946 1.00 65.42 H new ATOM 857 N GLN A 59 -0.679 -0.132 -8.215 1.00 4.20 N ATOM 858 CA GLN A 59 0.648 -0.475 -7.717 1.00 44.41 C ATOM 859 C GLN A 59 0.570 -1.594 -6.685 1.00 62.52 C ATOM 860 O GLN A 59 1.402 -2.502 -6.672 1.00 1.41 O ATOM 861 CB GLN A 59 1.318 0.755 -7.103 1.00 54.21 C ATOM 862 CG GLN A 59 2.316 1.431 -8.029 1.00 0.30 C ATOM 863 CD GLN A 59 1.745 2.665 -8.701 1.00 0.14 C ATOM 864 OE1 GLN A 59 1.414 2.642 -9.887 1.00 54.33 O ATOM 865 NE2 GLN A 59 1.627 3.751 -7.946 1.00 22.13 N ATOM 0 H GLN A 59 -0.966 0.829 -8.027 1.00 4.20 H new ATOM 0 HA GLN A 59 1.246 -0.824 -8.559 1.00 44.41 H new ATOM 0 HB2 GLN A 59 0.549 1.475 -6.823 1.00 54.21 H new ATOM 0 HB3 GLN A 59 1.828 0.461 -6.186 1.00 54.21 H new ATOM 0 HG2 GLN A 59 3.203 1.709 -7.460 1.00 0.30 H new ATOM 0 HG3 GLN A 59 2.636 0.722 -8.792 1.00 0.30 H new ATOM 0 HE21 GLN A 59 1.914 3.725 -6.967 1.00 22.13 H new ATOM 0 HE22 GLN A 59 1.250 4.611 -8.345 1.00 22.13 H new ATOM 874 N LEU A 60 -0.436 -1.525 -5.819 1.00 50.14 N ATOM 875 CA LEU A 60 -0.624 -2.533 -4.782 1.00 31.13 C ATOM 876 C LEU A 60 -0.968 -3.887 -5.394 1.00 54.14 C ATOM 877 O LEU A 60 -0.347 -4.900 -5.073 1.00 40.34 O ATOM 878 CB LEU A 60 -1.728 -2.100 -3.816 1.00 61.02 C ATOM 879 CG LEU A 60 -1.293 -1.209 -2.652 1.00 21.25 C ATOM 880 CD1 LEU A 60 -0.412 -1.987 -1.686 1.00 64.41 C ATOM 881 CD2 LEU A 60 -0.563 0.023 -3.168 1.00 71.02 C ATOM 0 H LEU A 60 -1.134 -0.781 -5.815 1.00 50.14 H new ATOM 0 HA LEU A 60 0.312 -2.632 -4.232 1.00 31.13 H new ATOM 0 HB2 LEU A 60 -2.494 -1.572 -4.385 1.00 61.02 H new ATOM 0 HB3 LEU A 60 -2.196 -2.995 -3.406 1.00 61.02 H new ATOM 0 HG LEU A 60 -2.184 -0.881 -2.116 1.00 21.25 H new ATOM 0 HD11 LEU A 60 -0.112 -1.337 -0.864 1.00 64.41 H new ATOM 0 HD12 LEU A 60 -0.967 -2.838 -1.292 1.00 64.41 H new ATOM 0 HD13 LEU A 60 0.475 -2.344 -2.209 1.00 64.41 H new ATOM 0 HD21 LEU A 60 -0.261 0.646 -2.326 1.00 71.02 H new ATOM 0 HD22 LEU A 60 0.320 -0.285 -3.727 1.00 71.02 H new ATOM 0 HD23 LEU A 60 -1.225 0.592 -3.821 1.00 71.02 H new ATOM 893 N ARG A 61 -1.961 -3.895 -6.277 1.00 3.01 N ATOM 894 CA ARG A 61 -2.388 -5.124 -6.935 1.00 41.32 C ATOM 895 C ARG A 61 -1.207 -5.819 -7.607 1.00 54.14 C ATOM 896 O ARG A 61 -1.121 -7.048 -7.618 1.00 0.41 O ATOM 897 CB ARG A 61 -3.473 -4.823 -7.970 1.00 1.30 C ATOM 898 CG ARG A 61 -3.817 -6.010 -8.855 1.00 70.22 C ATOM 899 CD ARG A 61 -3.329 -5.804 -10.280 1.00 50.35 C ATOM 900 NE ARG A 61 -2.039 -6.446 -10.515 1.00 22.33 N ATOM 901 CZ ARG A 61 -1.408 -6.422 -11.684 1.00 4.21 C ATOM 902 NH1 ARG A 61 -1.946 -5.790 -12.719 1.00 52.04 N ATOM 903 NH2 ARG A 61 -0.237 -7.030 -11.820 1.00 41.32 N ATOM 0 H ARG A 61 -2.485 -3.065 -6.553 1.00 3.01 H new ATOM 0 HA ARG A 61 -2.796 -5.791 -6.175 1.00 41.32 H new ATOM 0 HB2 ARG A 61 -4.374 -4.493 -7.454 1.00 1.30 H new ATOM 0 HB3 ARG A 61 -3.144 -3.995 -8.598 1.00 1.30 H new ATOM 0 HG2 ARG A 61 -3.369 -6.914 -8.443 1.00 70.22 H new ATOM 0 HG3 ARG A 61 -4.896 -6.162 -8.858 1.00 70.22 H new ATOM 0 HD2 ARG A 61 -4.065 -6.204 -10.977 1.00 50.35 H new ATOM 0 HD3 ARG A 61 -3.245 -4.736 -10.484 1.00 50.35 H new ATOM 0 HE ARG A 61 -1.598 -6.940 -9.739 1.00 22.33 H new ATOM 0 HH11 ARG A 61 -2.846 -5.321 -12.618 1.00 52.04 H new ATOM 0 HH12 ARG A 61 -1.459 -5.773 -13.615 1.00 52.04 H new ATOM 0 HH21 ARG A 61 0.180 -7.517 -11.027 1.00 41.32 H new ATOM 0 HH22 ARG A 61 0.246 -7.011 -12.718 1.00 41.32 H new ATOM 917 N LEU A 62 -0.301 -5.025 -8.168 1.00 75.40 N ATOM 918 CA LEU A 62 0.874 -5.564 -8.842 1.00 10.35 C ATOM 919 C LEU A 62 1.824 -6.219 -7.843 1.00 12.44 C ATOM 920 O LEU A 62 2.350 -7.304 -8.090 1.00 12.11 O ATOM 921 CB LEU A 62 1.603 -4.455 -9.604 1.00 33.32 C ATOM 922 CG LEU A 62 2.665 -4.913 -10.604 1.00 61.30 C ATOM 923 CD1 LEU A 62 2.352 -4.382 -11.994 1.00 12.35 C ATOM 924 CD2 LEU A 62 4.048 -4.463 -10.157 1.00 1.21 C ATOM 0 H LEU A 62 -0.358 -4.007 -8.169 1.00 75.40 H new ATOM 0 HA LEU A 62 0.540 -6.324 -9.549 1.00 10.35 H new ATOM 0 HB2 LEU A 62 0.862 -3.861 -10.139 1.00 33.32 H new ATOM 0 HB3 LEU A 62 2.077 -3.794 -8.878 1.00 33.32 H new ATOM 0 HG LEU A 62 2.655 -6.002 -10.643 1.00 61.30 H new ATOM 0 HD11 LEU A 62 3.118 -4.718 -12.693 1.00 12.35 H new ATOM 0 HD12 LEU A 62 1.379 -4.755 -12.315 1.00 12.35 H new ATOM 0 HD13 LEU A 62 2.334 -3.292 -11.972 1.00 12.35 H new ATOM 0 HD21 LEU A 62 4.791 -4.798 -10.881 1.00 1.21 H new ATOM 0 HD22 LEU A 62 4.072 -3.375 -10.089 1.00 1.21 H new ATOM 0 HD23 LEU A 62 4.273 -4.893 -9.181 1.00 1.21 H new ATOM 936 N VAL A 63 2.038 -5.551 -6.713 1.00 45.30 N ATOM 937 CA VAL A 63 2.920 -6.069 -5.675 1.00 20.23 C ATOM 938 C VAL A 63 2.474 -7.452 -5.212 1.00 3.21 C ATOM 939 O VAL A 63 3.299 -8.333 -4.970 1.00 20.21 O ATOM 940 CB VAL A 63 2.971 -5.125 -4.460 1.00 34.55 C ATOM 941 CG1 VAL A 63 3.948 -5.648 -3.418 1.00 35.34 C ATOM 942 CG2 VAL A 63 3.347 -3.717 -4.894 1.00 44.43 C ATOM 0 H VAL A 63 1.612 -4.650 -6.494 1.00 45.30 H new ATOM 0 HA VAL A 63 3.916 -6.140 -6.113 1.00 20.23 H new ATOM 0 HB VAL A 63 1.979 -5.089 -4.009 1.00 34.55 H new ATOM 0 HG11 VAL A 63 3.971 -4.968 -2.567 1.00 35.34 H new ATOM 0 HG12 VAL A 63 3.630 -6.636 -3.085 1.00 35.34 H new ATOM 0 HG13 VAL A 63 4.944 -5.716 -3.855 1.00 35.34 H new ATOM 0 HG21 VAL A 63 3.378 -3.064 -4.022 1.00 44.43 H new ATOM 0 HG22 VAL A 63 4.327 -3.733 -5.371 1.00 44.43 H new ATOM 0 HG23 VAL A 63 2.606 -3.344 -5.601 1.00 44.43 H new ATOM 952 N ILE A 64 1.164 -7.634 -5.093 1.00 64.42 N ATOM 953 CA ILE A 64 0.607 -8.911 -4.661 1.00 44.53 C ATOM 954 C ILE A 64 0.893 -10.008 -5.682 1.00 74.42 C ATOM 955 O ILE A 64 1.478 -11.040 -5.350 1.00 14.32 O ATOM 956 CB ILE A 64 -0.914 -8.815 -4.439 1.00 64.24 C ATOM 957 CG1 ILE A 64 -1.237 -7.698 -3.445 1.00 72.25 C ATOM 958 CG2 ILE A 64 -1.463 -10.146 -3.947 1.00 35.14 C ATOM 959 CD1 ILE A 64 -0.629 -7.913 -2.077 1.00 14.22 C ATOM 0 H ILE A 64 0.468 -6.915 -5.289 1.00 64.42 H new ATOM 0 HA ILE A 64 1.088 -9.163 -3.716 1.00 44.53 H new ATOM 0 HB ILE A 64 -1.391 -8.578 -5.390 1.00 64.24 H new ATOM 0 HG12 ILE A 64 -0.880 -6.750 -3.847 1.00 72.25 H new ATOM 0 HG13 ILE A 64 -2.319 -7.614 -3.344 1.00 72.25 H new ATOM 0 HG21 ILE A 64 -2.539 -10.062 -3.795 1.00 35.14 H new ATOM 0 HG22 ILE A 64 -1.261 -10.919 -4.688 1.00 35.14 H new ATOM 0 HG23 ILE A 64 -0.983 -10.412 -3.005 1.00 35.14 H new ATOM 0 HD11 ILE A 64 -0.899 -7.083 -1.424 1.00 14.22 H new ATOM 0 HD12 ILE A 64 -1.005 -8.845 -1.654 1.00 14.22 H new ATOM 0 HD13 ILE A 64 0.456 -7.967 -2.165 1.00 14.22 H new ATOM 971 N CYS A 65 0.477 -9.777 -6.921 1.00 64.42 N ATOM 972 CA CYS A 65 0.689 -10.747 -7.992 1.00 33.32 C ATOM 973 C CYS A 65 2.167 -11.104 -8.116 1.00 61.21 C ATOM 974 O CYS A 65 2.524 -12.275 -8.246 1.00 31.14 O ATOM 975 CB CYS A 65 0.172 -10.193 -9.319 1.00 4.11 C ATOM 976 SG CYS A 65 -1.028 -11.262 -10.147 1.00 42.33 S ATOM 0 H CYS A 65 -0.009 -8.928 -7.210 1.00 64.42 H new ATOM 0 HA CYS A 65 0.135 -11.652 -7.745 1.00 33.32 H new ATOM 0 HB2 CYS A 65 -0.286 -9.220 -9.141 1.00 4.11 H new ATOM 0 HB3 CYS A 65 1.018 -10.029 -9.986 1.00 4.11 H new ATOM 0 HG CYS A 65 -1.408 -10.707 -11.259 1.00 42.33 H new ATOM 982 N ASP A 66 3.021 -10.087 -8.077 1.00 61.10 N ATOM 983 CA ASP A 66 4.460 -10.293 -8.187 1.00 31.11 C ATOM 984 C ASP A 66 4.969 -11.186 -7.059 1.00 34.54 C ATOM 985 O ASP A 66 5.734 -12.123 -7.291 1.00 71.00 O ATOM 986 CB ASP A 66 5.193 -8.950 -8.161 1.00 63.32 C ATOM 987 CG ASP A 66 4.801 -8.056 -9.319 1.00 53.41 C ATOM 988 OD1 ASP A 66 5.384 -6.957 -9.445 1.00 71.44 O ATOM 989 OD2 ASP A 66 3.912 -8.452 -10.101 1.00 4.33 O ATOM 0 H ASP A 66 2.741 -9.112 -7.970 1.00 61.10 H new ATOM 0 HA ASP A 66 4.659 -10.789 -9.137 1.00 31.11 H new ATOM 0 HB2 ASP A 66 4.977 -8.440 -7.222 1.00 63.32 H new ATOM 0 HB3 ASP A 66 6.268 -9.125 -8.189 1.00 63.32 H new ATOM 994 N LEU A 67 4.540 -10.889 -5.838 1.00 35.23 N ATOM 995 CA LEU A 67 4.952 -11.664 -4.672 1.00 33.11 C ATOM 996 C LEU A 67 4.415 -13.090 -4.748 1.00 22.15 C ATOM 997 O LEU A 67 5.128 -14.048 -4.448 1.00 44.45 O ATOM 998 CB LEU A 67 4.463 -10.991 -3.389 1.00 54.13 C ATOM 999 CG LEU A 67 5.523 -10.249 -2.574 1.00 53.10 C ATOM 1000 CD1 LEU A 67 6.642 -11.194 -2.166 1.00 63.30 C ATOM 1001 CD2 LEU A 67 6.078 -9.073 -3.365 1.00 62.55 C ATOM 0 H LEU A 67 3.907 -10.117 -5.629 1.00 35.23 H new ATOM 0 HA LEU A 67 6.041 -11.706 -4.661 1.00 33.11 H new ATOM 0 HB2 LEU A 67 3.675 -10.285 -3.651 1.00 54.13 H new ATOM 0 HB3 LEU A 67 4.011 -11.752 -2.753 1.00 54.13 H new ATOM 0 HG LEU A 67 5.053 -9.864 -1.669 1.00 53.10 H new ATOM 0 HD11 LEU A 67 7.387 -10.648 -1.587 1.00 63.30 H new ATOM 0 HD12 LEU A 67 6.233 -12.002 -1.560 1.00 63.30 H new ATOM 0 HD13 LEU A 67 7.110 -11.610 -3.058 1.00 63.30 H new ATOM 0 HD21 LEU A 67 6.831 -8.557 -2.769 1.00 62.55 H new ATOM 0 HD22 LEU A 67 6.531 -9.436 -4.287 1.00 62.55 H new ATOM 0 HD23 LEU A 67 5.270 -8.382 -3.606 1.00 62.55 H new ATOM 1013 N GLN A 68 3.157 -13.222 -5.153 1.00 42.25 N ATOM 1014 CA GLN A 68 2.525 -14.531 -5.271 1.00 3.12 C ATOM 1015 C GLN A 68 3.188 -15.358 -6.368 1.00 30.20 C ATOM 1016 O GLN A 68 3.355 -16.570 -6.229 1.00 54.34 O ATOM 1017 CB GLN A 68 1.033 -14.376 -5.564 1.00 71.33 C ATOM 1018 CG GLN A 68 0.159 -15.373 -4.819 1.00 34.34 C ATOM 1019 CD GLN A 68 -0.464 -16.406 -5.738 1.00 12.35 C ATOM 1020 OE1 GLN A 68 -0.909 -16.083 -6.839 1.00 23.00 O ATOM 1021 NE2 GLN A 68 -0.498 -17.655 -5.289 1.00 10.13 N ATOM 0 H GLN A 68 2.554 -12.439 -5.405 1.00 42.25 H new ATOM 0 HA GLN A 68 2.649 -15.053 -4.322 1.00 3.12 H new ATOM 0 HB2 GLN A 68 0.723 -13.365 -5.300 1.00 71.33 H new ATOM 0 HB3 GLN A 68 0.868 -14.490 -6.635 1.00 71.33 H new ATOM 0 HG2 GLN A 68 0.757 -15.880 -4.062 1.00 34.34 H new ATOM 0 HG3 GLN A 68 -0.631 -14.836 -4.294 1.00 34.34 H new ATOM 0 HE21 GLN A 68 -0.117 -17.877 -4.369 1.00 10.13 H new ATOM 0 HE22 GLN A 68 -0.905 -18.393 -5.864 1.00 10.13 H new ATOM 1030 N GLU A 69 3.563 -14.695 -7.457 1.00 25.12 N ATOM 1031 CA GLU A 69 4.206 -15.371 -8.578 1.00 23.31 C ATOM 1032 C GLU A 69 5.525 -16.005 -8.146 1.00 23.34 C ATOM 1033 O GLU A 69 5.779 -17.181 -8.415 1.00 52.33 O ATOM 1034 CB GLU A 69 4.452 -14.386 -9.723 1.00 21.40 C ATOM 1035 CG GLU A 69 5.183 -14.998 -10.906 1.00 21.50 C ATOM 1036 CD GLU A 69 5.494 -13.983 -11.988 1.00 43.50 C ATOM 1037 OE1 GLU A 69 6.646 -13.966 -12.471 1.00 54.43 O ATOM 1038 OE2 GLU A 69 4.587 -13.207 -12.353 1.00 54.42 O ATOM 0 H GLU A 69 3.433 -13.692 -7.587 1.00 25.12 H new ATOM 0 HA GLU A 69 3.539 -16.160 -8.924 1.00 23.31 H new ATOM 0 HB2 GLU A 69 3.495 -13.991 -10.063 1.00 21.40 H new ATOM 0 HB3 GLU A 69 5.030 -13.542 -9.347 1.00 21.40 H new ATOM 0 HG2 GLU A 69 6.112 -15.450 -10.560 1.00 21.50 H new ATOM 0 HG3 GLU A 69 4.576 -15.799 -11.328 1.00 21.50 H new ATOM 1045 N ARG A 70 6.362 -15.220 -7.477 1.00 54.25 N ATOM 1046 CA ARG A 70 7.656 -15.704 -7.009 1.00 54.52 C ATOM 1047 C ARG A 70 7.480 -16.765 -5.927 1.00 3.35 C ATOM 1048 O ARG A 70 8.118 -17.817 -5.966 1.00 4.34 O ATOM 1049 CB ARG A 70 8.493 -14.542 -6.469 1.00 20.30 C ATOM 1050 CG ARG A 70 9.950 -14.591 -6.899 1.00 11.42 C ATOM 1051 CD ARG A 70 10.182 -13.790 -8.171 1.00 61.31 C ATOM 1052 NE ARG A 70 10.647 -14.632 -9.270 1.00 14.34 N ATOM 1053 CZ ARG A 70 11.054 -14.153 -10.440 1.00 24.52 C ATOM 1054 NH1 ARG A 70 11.052 -12.846 -10.663 1.00 34.03 N ATOM 1055 NH2 ARG A 70 11.464 -14.982 -11.391 1.00 65.42 N ATOM 0 H ARG A 70 6.168 -14.246 -7.246 1.00 54.25 H new ATOM 0 HA ARG A 70 8.176 -16.155 -7.854 1.00 54.52 H new ATOM 0 HB2 ARG A 70 8.055 -13.602 -6.805 1.00 20.30 H new ATOM 0 HB3 ARG A 70 8.444 -14.545 -5.380 1.00 20.30 H new ATOM 0 HG2 ARG A 70 10.580 -14.199 -6.101 1.00 11.42 H new ATOM 0 HG3 ARG A 70 10.248 -15.627 -7.060 1.00 11.42 H new ATOM 0 HD2 ARG A 70 9.256 -13.294 -8.461 1.00 61.31 H new ATOM 0 HD3 ARG A 70 10.916 -13.008 -7.978 1.00 61.31 H new ATOM 0 HE ARG A 70 10.660 -15.642 -9.132 1.00 14.34 H new ATOM 0 HH11 ARG A 70 10.737 -12.205 -9.935 1.00 34.03 H new ATOM 0 HH12 ARG A 70 11.365 -12.482 -11.563 1.00 34.03 H new ATOM 0 HH21 ARG A 70 11.467 -15.988 -11.224 1.00 65.42 H new ATOM 0 HH22 ARG A 70 11.776 -14.613 -12.289 1.00 65.42 H new ATOM 1069 N ARG A 71 6.611 -16.481 -4.962 1.00 11.45 N ATOM 1070 CA ARG A 71 6.355 -17.411 -3.869 1.00 52.44 C ATOM 1071 C ARG A 71 5.790 -18.727 -4.395 1.00 53.23 C ATOM 1072 O ARG A 71 6.068 -19.794 -3.850 1.00 21.00 O ATOM 1073 CB ARG A 71 5.381 -16.791 -2.864 1.00 33.13 C ATOM 1074 CG ARG A 71 5.100 -17.679 -1.662 1.00 1.32 C ATOM 1075 CD ARG A 71 3.666 -17.527 -1.180 1.00 3.14 C ATOM 1076 NE ARG A 71 2.788 -18.546 -1.748 1.00 53.12 N ATOM 1077 CZ ARG A 71 1.464 -18.440 -1.779 1.00 31.23 C ATOM 1078 NH1 ARG A 71 0.869 -17.368 -1.277 1.00 54.21 N ATOM 1079 NH2 ARG A 71 0.732 -19.410 -2.313 1.00 53.00 N ATOM 0 H ARG A 71 6.073 -15.616 -4.915 1.00 11.45 H new ATOM 0 HA ARG A 71 7.302 -17.617 -3.370 1.00 52.44 H new ATOM 0 HB2 ARG A 71 5.786 -15.841 -2.516 1.00 33.13 H new ATOM 0 HB3 ARG A 71 4.441 -16.571 -3.370 1.00 33.13 H new ATOM 0 HG2 ARG A 71 5.288 -18.720 -1.925 1.00 1.32 H new ATOM 0 HG3 ARG A 71 5.786 -17.426 -0.853 1.00 1.32 H new ATOM 0 HD2 ARG A 71 3.640 -17.591 -0.092 1.00 3.14 H new ATOM 0 HD3 ARG A 71 3.296 -16.538 -1.450 1.00 3.14 H new ATOM 0 HE ARG A 71 3.214 -19.385 -2.142 1.00 53.12 H new ATOM 0 HH11 ARG A 71 1.428 -16.621 -0.865 1.00 54.21 H new ATOM 0 HH12 ARG A 71 -0.148 -17.290 -1.303 1.00 54.21 H new ATOM 0 HH21 ARG A 71 1.186 -20.237 -2.700 1.00 53.00 H new ATOM 0 HH22 ARG A 71 -0.284 -19.328 -2.336 1.00 53.00 H new ATOM 1093 N GLU A 72 4.996 -18.641 -5.458 1.00 0.34 N ATOM 1094 CA GLU A 72 4.392 -19.825 -6.057 1.00 25.43 C ATOM 1095 C GLU A 72 5.459 -20.728 -6.673 1.00 71.03 C ATOM 1096 O GLU A 72 5.572 -21.903 -6.323 1.00 12.35 O ATOM 1097 CB GLU A 72 3.373 -19.421 -7.123 1.00 63.45 C ATOM 1098 CG GLU A 72 2.790 -20.600 -7.886 1.00 65.13 C ATOM 1099 CD GLU A 72 1.583 -20.216 -8.720 1.00 12.12 C ATOM 1100 OE1 GLU A 72 1.605 -20.465 -9.944 1.00 51.11 O ATOM 1101 OE2 GLU A 72 0.618 -19.667 -8.150 1.00 40.00 O ATOM 0 H GLU A 72 4.756 -17.764 -5.921 1.00 0.34 H new ATOM 0 HA GLU A 72 3.882 -20.379 -5.269 1.00 25.43 H new ATOM 0 HB2 GLU A 72 2.562 -18.870 -6.648 1.00 63.45 H new ATOM 0 HB3 GLU A 72 3.849 -18.741 -7.830 1.00 63.45 H new ATOM 0 HG2 GLU A 72 3.557 -21.022 -8.536 1.00 65.13 H new ATOM 0 HG3 GLU A 72 2.506 -21.380 -7.180 1.00 65.13 H new ATOM 1108 N LYS A 73 6.238 -20.170 -7.592 1.00 45.31 N ATOM 1109 CA LYS A 73 7.295 -20.921 -8.258 1.00 41.13 C ATOM 1110 C LYS A 73 8.204 -21.599 -7.239 1.00 32.23 C ATOM 1111 O LYS A 73 8.647 -22.730 -7.444 1.00 34.13 O ATOM 1112 CB LYS A 73 8.119 -19.995 -9.157 1.00 20.42 C ATOM 1113 CG LYS A 73 9.024 -20.736 -10.127 1.00 54.24 C ATOM 1114 CD LYS A 73 9.594 -19.802 -11.180 1.00 4.20 C ATOM 1115 CE LYS A 73 9.971 -20.554 -12.448 1.00 71.43 C ATOM 1116 NZ LYS A 73 10.138 -19.637 -13.608 1.00 10.10 N ATOM 0 H LYS A 73 6.157 -19.199 -7.893 1.00 45.31 H new ATOM 0 HA LYS A 73 6.828 -21.691 -8.872 1.00 41.13 H new ATOM 0 HB2 LYS A 73 7.442 -19.354 -9.722 1.00 20.42 H new ATOM 0 HB3 LYS A 73 8.728 -19.342 -8.531 1.00 20.42 H new ATOM 0 HG2 LYS A 73 9.839 -21.208 -9.578 1.00 54.24 H new ATOM 0 HG3 LYS A 73 8.463 -21.534 -10.613 1.00 54.24 H new ATOM 0 HD2 LYS A 73 8.862 -19.030 -11.418 1.00 4.20 H new ATOM 0 HD3 LYS A 73 10.473 -19.296 -10.781 1.00 4.20 H new ATOM 0 HE2 LYS A 73 10.898 -21.103 -12.283 1.00 71.43 H new ATOM 0 HE3 LYS A 73 9.201 -21.291 -12.676 1.00 71.43 H new ATOM 0 HZ1 LYS A 73 10.395 -20.188 -14.452 1.00 10.10 H new ATOM 0 HZ2 LYS A 73 9.246 -19.132 -13.782 1.00 10.10 H new ATOM 0 HZ3 LYS A 73 10.891 -18.950 -13.402 1.00 10.10 H new ATOM 1130 N PHE A 74 8.478 -20.903 -6.141 1.00 75.01 N ATOM 1131 CA PHE A 74 9.334 -21.439 -5.089 1.00 10.32 C ATOM 1132 C PHE A 74 8.571 -22.434 -4.220 1.00 63.14 C ATOM 1133 O PHE A 74 9.159 -23.340 -3.632 1.00 71.15 O ATOM 1134 CB PHE A 74 9.884 -20.305 -4.222 1.00 42.43 C ATOM 1135 CG PHE A 74 11.385 -20.244 -4.196 1.00 14.31 C ATOM 1136 CD1 PHE A 74 12.058 -19.181 -4.778 1.00 12.03 C ATOM 1137 CD2 PHE A 74 12.122 -21.248 -3.590 1.00 41.10 C ATOM 1138 CE1 PHE A 74 13.439 -19.121 -4.754 1.00 63.32 C ATOM 1139 CE2 PHE A 74 13.502 -21.194 -3.565 1.00 34.42 C ATOM 1140 CZ PHE A 74 14.162 -20.130 -4.148 1.00 4.35 C ATOM 0 H PHE A 74 8.120 -19.966 -5.956 1.00 75.01 H new ATOM 0 HA PHE A 74 10.165 -21.961 -5.563 1.00 10.32 H new ATOM 0 HB2 PHE A 74 9.496 -19.355 -4.591 1.00 42.43 H new ATOM 0 HB3 PHE A 74 9.516 -20.426 -3.203 1.00 42.43 H new ATOM 0 HD1 PHE A 74 11.497 -18.391 -5.255 1.00 12.03 H new ATOM 0 HD2 PHE A 74 11.612 -22.082 -3.132 1.00 41.10 H new ATOM 0 HE1 PHE A 74 13.952 -18.286 -5.208 1.00 63.32 H new ATOM 0 HE2 PHE A 74 14.065 -21.984 -3.090 1.00 34.42 H new ATOM 0 HZ PHE A 74 15.241 -20.087 -4.130 1.00 4.35 H new ATOM 1150 N GLY A 75 7.255 -22.257 -4.145 1.00 12.50 N ATOM 1151 CA GLY A 75 6.432 -23.145 -3.345 1.00 45.40 C ATOM 1152 C GLY A 75 5.510 -22.393 -2.406 1.00 44.34 C ATOM 1153 O GLY A 75 4.486 -21.855 -2.831 1.00 73.20 O ATOM 0 H GLY A 75 6.745 -21.515 -4.624 1.00 12.50 H new ATOM 0 HA2 GLY A 75 5.837 -23.776 -4.005 1.00 45.40 H new ATOM 0 HA3 GLY A 75 7.075 -23.807 -2.765 1.00 45.40 H new ATOM 1157 N SER A 76 5.870 -22.356 -1.128 1.00 64.00 N ATOM 1158 CA SER A 76 5.064 -21.669 -0.126 1.00 63.31 C ATOM 1159 C SER A 76 5.949 -21.045 0.948 1.00 31.13 C ATOM 1160 O SER A 76 7.037 -21.543 1.238 1.00 74.42 O ATOM 1161 CB SER A 76 4.073 -22.642 0.516 1.00 44.43 C ATOM 1162 OG SER A 76 2.995 -21.946 1.120 1.00 63.21 O ATOM 0 H SER A 76 6.715 -22.794 -0.761 1.00 64.00 H new ATOM 0 HA SER A 76 4.510 -20.873 -0.624 1.00 63.31 H new ATOM 0 HB2 SER A 76 3.690 -23.328 -0.240 1.00 44.43 H new ATOM 0 HB3 SER A 76 4.585 -23.247 1.265 1.00 44.43 H new ATOM 0 HG SER A 76 2.374 -22.589 1.522 1.00 63.21 H new ATOM 1168 N SER A 77 5.475 -19.950 1.535 1.00 62.43 N ATOM 1169 CA SER A 77 6.224 -19.255 2.574 1.00 53.32 C ATOM 1170 C SER A 77 5.292 -18.424 3.451 1.00 72.23 C ATOM 1171 O SER A 77 4.381 -17.760 2.957 1.00 0.44 O ATOM 1172 CB SER A 77 7.291 -18.354 1.948 1.00 63.11 C ATOM 1173 OG SER A 77 7.663 -17.313 2.834 1.00 11.21 O ATOM 0 H SER A 77 4.576 -19.526 1.308 1.00 62.43 H new ATOM 0 HA SER A 77 6.712 -20.004 3.198 1.00 53.32 H new ATOM 0 HB2 SER A 77 8.168 -18.948 1.691 1.00 63.11 H new ATOM 0 HB3 SER A 77 6.912 -17.927 1.019 1.00 63.11 H new ATOM 0 HG SER A 77 8.624 -17.141 2.751 1.00 11.21 H new ATOM 1179 N LYS A 78 5.527 -18.466 4.759 1.00 1.24 N ATOM 1180 CA LYS A 78 4.711 -17.717 5.707 1.00 12.05 C ATOM 1181 C LYS A 78 5.043 -16.229 5.655 1.00 4.33 C ATOM 1182 O LYS A 78 4.153 -15.390 5.525 1.00 65.23 O ATOM 1183 CB LYS A 78 4.926 -18.248 7.127 1.00 11.22 C ATOM 1184 CG LYS A 78 3.638 -18.631 7.835 1.00 3.14 C ATOM 1185 CD LYS A 78 3.873 -18.907 9.310 1.00 4.21 C ATOM 1186 CE LYS A 78 3.820 -20.397 9.614 1.00 15.53 C ATOM 1187 NZ LYS A 78 4.696 -20.759 10.762 1.00 20.34 N ATOM 0 H LYS A 78 6.276 -19.011 5.186 1.00 1.24 H new ATOM 0 HA LYS A 78 3.665 -17.848 5.430 1.00 12.05 H new ATOM 0 HB2 LYS A 78 5.580 -19.119 7.085 1.00 11.22 H new ATOM 0 HB3 LYS A 78 5.442 -17.489 7.715 1.00 11.22 H new ATOM 0 HG2 LYS A 78 2.909 -17.828 7.726 1.00 3.14 H new ATOM 0 HG3 LYS A 78 3.211 -19.515 7.362 1.00 3.14 H new ATOM 0 HD2 LYS A 78 4.844 -18.509 9.606 1.00 4.21 H new ATOM 0 HD3 LYS A 78 3.121 -18.387 9.903 1.00 4.21 H new ATOM 0 HE2 LYS A 78 2.793 -20.686 9.835 1.00 15.53 H new ATOM 0 HE3 LYS A 78 4.126 -20.959 8.732 1.00 15.53 H new ATOM 0 HZ1 LYS A 78 4.633 -21.782 10.938 1.00 20.34 H new ATOM 0 HZ2 LYS A 78 5.680 -20.506 10.541 1.00 20.34 H new ATOM 0 HZ3 LYS A 78 4.388 -20.242 11.610 1.00 20.34 H new ATOM 1201 N GLU A 79 6.329 -15.910 5.755 1.00 30.05 N ATOM 1202 CA GLU A 79 6.777 -14.522 5.718 1.00 23.25 C ATOM 1203 C GLU A 79 6.283 -13.825 4.454 1.00 3.15 C ATOM 1204 O GLU A 79 5.795 -12.696 4.505 1.00 11.20 O ATOM 1205 CB GLU A 79 8.305 -14.454 5.788 1.00 72.35 C ATOM 1206 CG GLU A 79 9.000 -15.294 4.732 1.00 5.15 C ATOM 1207 CD GLU A 79 10.501 -15.366 4.939 1.00 43.33 C ATOM 1208 OE1 GLU A 79 11.204 -15.837 4.020 1.00 3.20 O ATOM 1209 OE2 GLU A 79 10.972 -14.952 6.017 1.00 12.12 O ATOM 0 H GLU A 79 7.079 -16.593 5.862 1.00 30.05 H new ATOM 0 HA GLU A 79 6.358 -14.008 6.583 1.00 23.25 H new ATOM 0 HB2 GLU A 79 8.619 -13.416 5.679 1.00 72.35 H new ATOM 0 HB3 GLU A 79 8.630 -14.784 6.775 1.00 72.35 H new ATOM 0 HG2 GLU A 79 8.586 -16.302 4.745 1.00 5.15 H new ATOM 0 HG3 GLU A 79 8.792 -14.877 3.747 1.00 5.15 H new ATOM 1216 N ILE A 80 6.415 -14.507 3.320 1.00 53.14 N ATOM 1217 CA ILE A 80 5.982 -13.954 2.042 1.00 15.41 C ATOM 1218 C ILE A 80 4.465 -13.810 1.991 1.00 54.21 C ATOM 1219 O ILE A 80 3.941 -12.715 1.788 1.00 51.52 O ATOM 1220 CB ILE A 80 6.443 -14.831 0.864 1.00 71.12 C ATOM 1221 CG1 ILE A 80 7.966 -14.982 0.878 1.00 51.43 C ATOM 1222 CG2 ILE A 80 5.977 -14.234 -0.456 1.00 74.11 C ATOM 1223 CD1 ILE A 80 8.478 -16.024 -0.091 1.00 62.13 C ATOM 0 H ILE A 80 6.818 -15.442 3.261 1.00 53.14 H new ATOM 0 HA ILE A 80 6.441 -12.969 1.953 1.00 15.41 H new ATOM 0 HB ILE A 80 5.997 -15.820 0.970 1.00 71.12 H new ATOM 0 HG12 ILE A 80 8.421 -14.021 0.639 1.00 51.43 H new ATOM 0 HG13 ILE A 80 8.288 -15.245 1.886 1.00 51.43 H new ATOM 0 HG21 ILE A 80 6.311 -14.866 -1.279 1.00 74.11 H new ATOM 0 HG22 ILE A 80 4.889 -14.173 -0.464 1.00 74.11 H new ATOM 0 HG23 ILE A 80 6.397 -13.235 -0.572 1.00 74.11 H new ATOM 0 HD11 ILE A 80 9.565 -16.077 -0.027 1.00 62.13 H new ATOM 0 HD12 ILE A 80 8.052 -16.995 0.160 1.00 62.13 H new ATOM 0 HD13 ILE A 80 8.187 -15.752 -1.105 1.00 62.13 H new ATOM 1235 N ASP A 81 3.764 -14.923 2.180 1.00 51.23 N ATOM 1236 CA ASP A 81 2.306 -14.921 2.159 1.00 10.32 C ATOM 1237 C ASP A 81 1.750 -13.858 3.100 1.00 35.30 C ATOM 1238 O ASP A 81 0.732 -13.229 2.811 1.00 61.40 O ATOM 1239 CB ASP A 81 1.767 -16.298 2.549 1.00 4.34 C ATOM 1240 CG ASP A 81 0.274 -16.283 2.809 1.00 22.44 C ATOM 1241 OD1 ASP A 81 -0.499 -16.410 1.836 1.00 72.40 O ATOM 1242 OD2 ASP A 81 -0.121 -16.146 3.985 1.00 53.04 O ATOM 0 H ASP A 81 4.182 -15.838 2.349 1.00 51.23 H new ATOM 0 HA ASP A 81 1.983 -14.687 1.145 1.00 10.32 H new ATOM 0 HB2 ASP A 81 1.987 -17.010 1.753 1.00 4.34 H new ATOM 0 HB3 ASP A 81 2.285 -16.648 3.442 1.00 4.34 H new ATOM 1247 N MET A 82 2.423 -13.664 4.230 1.00 11.24 N ATOM 1248 CA MET A 82 1.996 -12.677 5.214 1.00 1.04 C ATOM 1249 C MET A 82 2.084 -11.266 4.642 1.00 14.21 C ATOM 1250 O MET A 82 1.102 -10.524 4.641 1.00 32.12 O ATOM 1251 CB MET A 82 2.853 -12.781 6.478 1.00 61.51 C ATOM 1252 CG MET A 82 2.292 -12.005 7.658 1.00 50.23 C ATOM 1253 SD MET A 82 3.536 -11.659 8.916 1.00 54.43 S ATOM 1254 CE MET A 82 2.741 -10.336 9.825 1.00 41.55 C ATOM 0 H MET A 82 3.266 -14.178 4.486 1.00 11.24 H new ATOM 0 HA MET A 82 0.957 -12.883 5.470 1.00 1.04 H new ATOM 0 HB2 MET A 82 2.949 -13.830 6.757 1.00 61.51 H new ATOM 0 HB3 MET A 82 3.856 -12.416 6.258 1.00 61.51 H new ATOM 0 HG2 MET A 82 1.870 -11.065 7.302 1.00 50.23 H new ATOM 0 HG3 MET A 82 1.476 -12.572 8.106 1.00 50.23 H new ATOM 0 HE1 MET A 82 3.116 -10.321 10.848 1.00 41.55 H new ATOM 0 HE2 MET A 82 2.959 -9.382 9.345 1.00 41.55 H new ATOM 0 HE3 MET A 82 1.663 -10.498 9.836 1.00 41.55 H new ATOM 1264 N ALA A 83 3.266 -10.901 4.157 1.00 11.20 N ATOM 1265 CA ALA A 83 3.481 -9.579 3.582 1.00 40.35 C ATOM 1266 C ALA A 83 2.424 -9.260 2.530 1.00 23.41 C ATOM 1267 O ALA A 83 2.000 -8.112 2.391 1.00 3.53 O ATOM 1268 CB ALA A 83 4.874 -9.487 2.977 1.00 32.22 C ATOM 0 H ALA A 83 4.090 -11.503 4.151 1.00 11.20 H new ATOM 0 HA ALA A 83 3.395 -8.843 4.382 1.00 40.35 H new ATOM 0 HB1 ALA A 83 5.021 -8.494 2.551 1.00 32.22 H new ATOM 0 HB2 ALA A 83 5.620 -9.663 3.752 1.00 32.22 H new ATOM 0 HB3 ALA A 83 4.981 -10.237 2.194 1.00 32.22 H new ATOM 1274 N ILE A 84 2.002 -10.282 1.792 1.00 52.11 N ATOM 1275 CA ILE A 84 0.994 -10.110 0.755 1.00 43.34 C ATOM 1276 C ILE A 84 -0.349 -9.706 1.354 1.00 23.30 C ATOM 1277 O ILE A 84 -0.906 -8.663 1.012 1.00 64.31 O ATOM 1278 CB ILE A 84 0.810 -11.397 -0.071 1.00 13.24 C ATOM 1279 CG1 ILE A 84 2.136 -11.810 -0.713 1.00 64.33 C ATOM 1280 CG2 ILE A 84 -0.260 -11.196 -1.134 1.00 11.52 C ATOM 1281 CD1 ILE A 84 2.163 -13.254 -1.166 1.00 42.52 C ATOM 0 H ILE A 84 2.343 -11.238 1.894 1.00 52.11 H new ATOM 0 HA ILE A 84 1.349 -9.315 0.099 1.00 43.34 H new ATOM 0 HB ILE A 84 0.486 -12.196 0.596 1.00 13.24 H new ATOM 0 HG12 ILE A 84 2.332 -11.165 -1.569 1.00 64.33 H new ATOM 0 HG13 ILE A 84 2.943 -11.646 0.001 1.00 64.33 H new ATOM 0 HG21 ILE A 84 -0.378 -12.114 -1.709 1.00 11.52 H new ATOM 0 HG22 ILE A 84 -1.206 -10.944 -0.655 1.00 11.52 H new ATOM 0 HG23 ILE A 84 0.037 -10.386 -1.800 1.00 11.52 H new ATOM 0 HD11 ILE A 84 3.132 -13.478 -1.611 1.00 42.52 H new ATOM 0 HD12 ILE A 84 1.998 -13.907 -0.309 1.00 42.52 H new ATOM 0 HD13 ILE A 84 1.378 -13.418 -1.904 1.00 42.52 H new ATOM 1293 N VAL A 85 -0.864 -10.541 2.251 1.00 43.13 N ATOM 1294 CA VAL A 85 -2.142 -10.272 2.901 1.00 4.33 C ATOM 1295 C VAL A 85 -2.165 -8.874 3.508 1.00 52.20 C ATOM 1296 O VAL A 85 -3.218 -8.243 3.603 1.00 52.44 O ATOM 1297 CB VAL A 85 -2.439 -11.304 4.005 1.00 1.14 C ATOM 1298 CG1 VAL A 85 -3.831 -11.088 4.577 1.00 63.51 C ATOM 1299 CG2 VAL A 85 -2.287 -12.718 3.465 1.00 74.24 C ATOM 0 H VAL A 85 -0.416 -11.409 2.544 1.00 43.13 H new ATOM 0 HA VAL A 85 -2.910 -10.344 2.131 1.00 4.33 H new ATOM 0 HB VAL A 85 -1.718 -11.168 4.811 1.00 1.14 H new ATOM 0 HG11 VAL A 85 -4.023 -11.826 5.356 1.00 63.51 H new ATOM 0 HG12 VAL A 85 -3.898 -10.087 5.002 1.00 63.51 H new ATOM 0 HG13 VAL A 85 -4.571 -11.196 3.784 1.00 63.51 H new ATOM 0 HG21 VAL A 85 -2.500 -13.435 4.258 1.00 74.24 H new ATOM 0 HG22 VAL A 85 -2.984 -12.870 2.641 1.00 74.24 H new ATOM 0 HG23 VAL A 85 -1.267 -12.864 3.109 1.00 74.24 H new ATOM 1309 N THR A 86 -0.995 -8.393 3.918 1.00 50.22 N ATOM 1310 CA THR A 86 -0.880 -7.069 4.517 1.00 62.03 C ATOM 1311 C THR A 86 -1.138 -5.976 3.486 1.00 13.34 C ATOM 1312 O THR A 86 -2.019 -5.133 3.667 1.00 12.13 O ATOM 1313 CB THR A 86 0.512 -6.853 5.140 1.00 40.21 C ATOM 1314 OG1 THR A 86 1.048 -8.103 5.586 1.00 61.43 O ATOM 1315 CG2 THR A 86 0.437 -5.882 6.308 1.00 62.10 C ATOM 0 H THR A 86 -0.113 -8.901 3.846 1.00 50.22 H new ATOM 0 HA THR A 86 -1.634 -7.010 5.302 1.00 62.03 H new ATOM 0 HB THR A 86 1.166 -6.429 4.377 1.00 40.21 H new ATOM 0 HG1 THR A 86 1.076 -8.116 6.566 1.00 61.43 H new ATOM 0 HG21 THR A 86 1.432 -5.745 6.732 1.00 62.10 H new ATOM 0 HG22 THR A 86 0.056 -4.922 5.959 1.00 62.10 H new ATOM 0 HG23 THR A 86 -0.231 -6.282 7.071 1.00 62.10 H new ATOM 1323 N LEU A 87 -0.367 -5.994 2.405 1.00 14.33 N ATOM 1324 CA LEU A 87 -0.512 -5.002 1.345 1.00 24.11 C ATOM 1325 C LEU A 87 -1.934 -5.000 0.794 1.00 63.05 C ATOM 1326 O LEU A 87 -2.403 -3.995 0.258 1.00 32.42 O ATOM 1327 CB LEU A 87 0.483 -5.284 0.217 1.00 53.33 C ATOM 1328 CG LEU A 87 1.949 -4.982 0.525 1.00 32.24 C ATOM 1329 CD1 LEU A 87 2.864 -5.781 -0.390 1.00 62.54 C ATOM 1330 CD2 LEU A 87 2.227 -3.492 0.390 1.00 11.23 C ATOM 0 H LEU A 87 0.365 -6.684 2.239 1.00 14.33 H new ATOM 0 HA LEU A 87 -0.304 -4.019 1.768 1.00 24.11 H new ATOM 0 HB2 LEU A 87 0.400 -6.335 -0.060 1.00 53.33 H new ATOM 0 HB3 LEU A 87 0.188 -4.700 -0.655 1.00 53.33 H new ATOM 0 HG LEU A 87 2.151 -5.278 1.555 1.00 32.24 H new ATOM 0 HD11 LEU A 87 3.903 -5.552 -0.155 1.00 62.54 H new ATOM 0 HD12 LEU A 87 2.685 -6.846 -0.244 1.00 62.54 H new ATOM 0 HD13 LEU A 87 2.660 -5.518 -1.428 1.00 62.54 H new ATOM 0 HD21 LEU A 87 3.276 -3.296 0.613 1.00 11.23 H new ATOM 0 HD22 LEU A 87 2.006 -3.172 -0.628 1.00 11.23 H new ATOM 0 HD23 LEU A 87 1.598 -2.940 1.088 1.00 11.23 H new ATOM 1342 N LYS A 88 -2.619 -6.130 0.932 1.00 41.14 N ATOM 1343 CA LYS A 88 -3.990 -6.259 0.451 1.00 54.41 C ATOM 1344 C LYS A 88 -4.953 -5.476 1.339 1.00 11.03 C ATOM 1345 O LYS A 88 -5.573 -4.509 0.898 1.00 51.15 O ATOM 1346 CB LYS A 88 -4.402 -7.732 0.409 1.00 12.34 C ATOM 1347 CG LYS A 88 -4.695 -8.241 -0.992 1.00 33.21 C ATOM 1348 CD LYS A 88 -4.038 -9.588 -1.244 1.00 32.31 C ATOM 1349 CE LYS A 88 -4.616 -10.268 -2.475 1.00 61.12 C ATOM 1350 NZ LYS A 88 -3.946 -11.568 -2.757 1.00 64.23 N ATOM 0 H LYS A 88 -2.247 -6.971 1.374 1.00 41.14 H new ATOM 0 HA LYS A 88 -4.035 -5.847 -0.557 1.00 54.41 H new ATOM 0 HB2 LYS A 88 -3.607 -8.336 0.847 1.00 12.34 H new ATOM 0 HB3 LYS A 88 -5.287 -7.871 1.030 1.00 12.34 H new ATOM 0 HG2 LYS A 88 -5.773 -8.329 -1.130 1.00 33.21 H new ATOM 0 HG3 LYS A 88 -4.338 -7.518 -1.725 1.00 33.21 H new ATOM 0 HD2 LYS A 88 -2.964 -9.452 -1.373 1.00 32.31 H new ATOM 0 HD3 LYS A 88 -4.176 -10.230 -0.374 1.00 32.31 H new ATOM 0 HE2 LYS A 88 -5.684 -10.434 -2.331 1.00 61.12 H new ATOM 0 HE3 LYS A 88 -4.509 -9.610 -3.337 1.00 61.12 H new ATOM 0 HZ1 LYS A 88 -3.674 -11.608 -3.760 1.00 64.23 H new ATOM 0 HZ2 LYS A 88 -3.097 -11.657 -2.164 1.00 64.23 H new ATOM 0 HZ3 LYS A 88 -4.600 -12.349 -2.545 1.00 64.23 H new ATOM 1364 N VAL A 89 -5.070 -5.900 2.594 1.00 51.55 N ATOM 1365 CA VAL A 89 -5.956 -5.237 3.545 1.00 44.21 C ATOM 1366 C VAL A 89 -5.699 -3.735 3.579 1.00 21.34 C ATOM 1367 O VAL A 89 -6.618 -2.941 3.779 1.00 62.23 O ATOM 1368 CB VAL A 89 -5.785 -5.810 4.964 1.00 12.44 C ATOM 1369 CG1 VAL A 89 -4.331 -5.720 5.404 1.00 3.23 C ATOM 1370 CG2 VAL A 89 -6.692 -5.082 5.945 1.00 24.01 C ATOM 0 H VAL A 89 -4.563 -6.699 2.976 1.00 51.55 H new ATOM 0 HA VAL A 89 -6.977 -5.420 3.209 1.00 44.21 H new ATOM 0 HB VAL A 89 -6.072 -6.861 4.950 1.00 12.44 H new ATOM 0 HG11 VAL A 89 -4.229 -6.129 6.409 1.00 3.23 H new ATOM 0 HG12 VAL A 89 -3.707 -6.289 4.715 1.00 3.23 H new ATOM 0 HG13 VAL A 89 -4.015 -4.677 5.403 1.00 3.23 H new ATOM 0 HG21 VAL A 89 -6.558 -5.500 6.943 1.00 24.01 H new ATOM 0 HG22 VAL A 89 -6.438 -4.022 5.958 1.00 24.01 H new ATOM 0 HG23 VAL A 89 -7.731 -5.202 5.638 1.00 24.01 H new ATOM 1380 N PHE A 90 -4.441 -3.350 3.383 1.00 63.33 N ATOM 1381 CA PHE A 90 -4.063 -1.943 3.392 1.00 55.31 C ATOM 1382 C PHE A 90 -4.443 -1.269 2.078 1.00 10.54 C ATOM 1383 O PHE A 90 -4.846 -0.106 2.057 1.00 71.41 O ATOM 1384 CB PHE A 90 -2.559 -1.799 3.637 1.00 62.15 C ATOM 1385 CG PHE A 90 -2.062 -0.388 3.503 1.00 15.44 C ATOM 1386 CD1 PHE A 90 -1.680 0.112 2.269 1.00 4.02 C ATOM 1387 CD2 PHE A 90 -1.976 0.439 4.612 1.00 21.42 C ATOM 1388 CE1 PHE A 90 -1.222 1.410 2.141 1.00 74.32 C ATOM 1389 CE2 PHE A 90 -1.520 1.737 4.491 1.00 53.40 C ATOM 1390 CZ PHE A 90 -1.141 2.224 3.255 1.00 62.20 C ATOM 0 H PHE A 90 -3.667 -3.994 3.216 1.00 63.33 H new ATOM 0 HA PHE A 90 -4.604 -1.452 4.201 1.00 55.31 H new ATOM 0 HB2 PHE A 90 -2.325 -2.165 4.637 1.00 62.15 H new ATOM 0 HB3 PHE A 90 -2.022 -2.433 2.932 1.00 62.15 H new ATOM 0 HD1 PHE A 90 -1.741 -0.520 1.396 1.00 4.02 H new ATOM 0 HD2 PHE A 90 -2.269 0.064 5.582 1.00 21.42 H new ATOM 0 HE1 PHE A 90 -0.928 1.787 1.173 1.00 74.32 H new ATOM 0 HE2 PHE A 90 -1.460 2.371 5.363 1.00 53.40 H new ATOM 0 HZ PHE A 90 -0.782 3.238 3.159 1.00 62.20 H new ATOM 1400 N ALA A 91 -4.308 -2.006 0.981 1.00 64.40 N ATOM 1401 CA ALA A 91 -4.638 -1.482 -0.339 1.00 32.12 C ATOM 1402 C ALA A 91 -6.132 -1.202 -0.460 1.00 43.44 C ATOM 1403 O ALA A 91 -6.538 -0.119 -0.882 1.00 52.32 O ATOM 1404 CB ALA A 91 -4.193 -2.455 -1.420 1.00 11.44 C ATOM 0 H ALA A 91 -3.972 -2.969 0.980 1.00 64.40 H new ATOM 0 HA ALA A 91 -4.106 -0.540 -0.472 1.00 32.12 H new ATOM 0 HB1 ALA A 91 -4.446 -2.051 -2.400 1.00 11.44 H new ATOM 0 HB2 ALA A 91 -3.115 -2.602 -1.355 1.00 11.44 H new ATOM 0 HB3 ALA A 91 -4.699 -3.410 -1.280 1.00 11.44 H new ATOM 1410 N VAL A 92 -6.946 -2.184 -0.089 1.00 70.32 N ATOM 1411 CA VAL A 92 -8.396 -2.043 -0.156 1.00 41.03 C ATOM 1412 C VAL A 92 -8.899 -1.048 0.884 1.00 71.24 C ATOM 1413 O VAL A 92 -9.542 -0.055 0.547 1.00 54.40 O ATOM 1414 CB VAL A 92 -9.103 -3.395 0.058 1.00 1.22 C ATOM 1415 CG1 VAL A 92 -10.593 -3.268 -0.218 1.00 4.11 C ATOM 1416 CG2 VAL A 92 -8.477 -4.466 -0.822 1.00 61.32 C ATOM 0 H VAL A 92 -6.626 -3.087 0.261 1.00 70.32 H new ATOM 0 HA VAL A 92 -8.632 -1.673 -1.154 1.00 41.03 H new ATOM 0 HB VAL A 92 -8.976 -3.692 1.099 1.00 1.22 H new ATOM 0 HG11 VAL A 92 -11.076 -4.233 -0.062 1.00 4.11 H new ATOM 0 HG12 VAL A 92 -11.027 -2.531 0.458 1.00 4.11 H new ATOM 0 HG13 VAL A 92 -10.746 -2.949 -1.249 1.00 4.11 H new ATOM 0 HG21 VAL A 92 -8.988 -5.415 -0.659 1.00 61.32 H new ATOM 0 HG22 VAL A 92 -8.572 -4.178 -1.869 1.00 61.32 H new ATOM 0 HG23 VAL A 92 -7.422 -4.574 -0.570 1.00 61.32 H new ATOM 1426 N ALA A 93 -8.603 -1.324 2.150 1.00 51.33 N ATOM 1427 CA ALA A 93 -9.024 -0.451 3.240 1.00 61.53 C ATOM 1428 C ALA A 93 -8.370 0.921 3.129 1.00 10.53 C ATOM 1429 O ALA A 93 -8.798 1.877 3.774 1.00 2.43 O ATOM 1430 CB ALA A 93 -8.695 -1.088 4.582 1.00 11.13 C ATOM 0 H ALA A 93 -8.074 -2.144 2.446 1.00 51.33 H new ATOM 0 HA ALA A 93 -10.103 -0.316 3.168 1.00 61.53 H new ATOM 0 HB1 ALA A 93 -9.014 -0.426 5.387 1.00 11.13 H new ATOM 0 HB2 ALA A 93 -9.215 -2.042 4.669 1.00 11.13 H new ATOM 0 HB3 ALA A 93 -7.620 -1.253 4.653 1.00 11.13 H new ATOM 1436 N GLY A 94 -7.329 1.011 2.306 1.00 65.32 N ATOM 1437 CA GLY A 94 -6.633 2.272 2.126 1.00 22.44 C ATOM 1438 C GLY A 94 -7.115 3.032 0.906 1.00 75.31 C ATOM 1439 O GLY A 94 -7.797 4.050 1.030 1.00 62.25 O ATOM 0 H GLY A 94 -6.956 0.234 1.761 1.00 65.32 H new ATOM 0 HA2 GLY A 94 -6.772 2.890 3.013 1.00 22.44 H new ATOM 0 HA3 GLY A 94 -5.564 2.083 2.033 1.00 22.44 H new ATOM 1443 N LEU A 95 -6.760 2.539 -0.275 1.00 22.14 N ATOM 1444 CA LEU A 95 -7.159 3.180 -1.523 1.00 70.42 C ATOM 1445 C LEU A 95 -8.678 3.213 -1.655 1.00 44.45 C ATOM 1446 O LEU A 95 -9.260 4.240 -2.010 1.00 73.30 O ATOM 1447 CB LEU A 95 -6.548 2.443 -2.716 1.00 43.44 C ATOM 1448 CG LEU A 95 -5.053 2.665 -2.947 1.00 41.44 C ATOM 1449 CD1 LEU A 95 -4.738 4.151 -3.010 1.00 11.33 C ATOM 1450 CD2 LEU A 95 -4.238 1.991 -1.854 1.00 73.33 C ATOM 0 H LEU A 95 -6.197 1.697 -0.395 1.00 22.14 H new ATOM 0 HA LEU A 95 -6.791 4.206 -1.511 1.00 70.42 H new ATOM 0 HB2 LEU A 95 -6.720 1.375 -2.585 1.00 43.44 H new ATOM 0 HB3 LEU A 95 -7.083 2.744 -3.617 1.00 43.44 H new ATOM 0 HG LEU A 95 -4.782 2.216 -3.903 1.00 41.44 H new ATOM 0 HD11 LEU A 95 -3.670 4.290 -3.175 1.00 11.33 H new ATOM 0 HD12 LEU A 95 -5.294 4.606 -3.830 1.00 11.33 H new ATOM 0 HD13 LEU A 95 -5.025 4.624 -2.071 1.00 11.33 H new ATOM 0 HD21 LEU A 95 -3.176 2.160 -2.035 1.00 73.33 H new ATOM 0 HD22 LEU A 95 -4.512 2.409 -0.885 1.00 73.33 H new ATOM 0 HD23 LEU A 95 -4.441 0.920 -1.857 1.00 73.33 H new ATOM 1462 N LEU A 96 -9.317 2.085 -1.366 1.00 63.10 N ATOM 1463 CA LEU A 96 -10.771 1.985 -1.452 1.00 15.02 C ATOM 1464 C LEU A 96 -11.426 2.464 -0.160 1.00 33.33 C ATOM 1465 O LEU A 96 -12.649 2.475 -0.039 1.00 23.21 O ATOM 1466 CB LEU A 96 -11.186 0.542 -1.742 1.00 2.51 C ATOM 1467 CG LEU A 96 -11.947 0.313 -3.049 1.00 75.21 C ATOM 1468 CD1 LEU A 96 -13.212 1.157 -3.084 1.00 52.32 C ATOM 1469 CD2 LEU A 96 -11.061 0.628 -4.245 1.00 34.43 C ATOM 0 H LEU A 96 -8.852 1.227 -1.070 1.00 63.10 H new ATOM 0 HA LEU A 96 -11.107 2.624 -2.268 1.00 15.02 H new ATOM 0 HB2 LEU A 96 -10.289 -0.078 -1.753 1.00 2.51 H new ATOM 0 HB3 LEU A 96 -11.806 0.190 -0.917 1.00 2.51 H new ATOM 0 HG LEU A 96 -12.233 -0.737 -3.101 1.00 75.21 H new ATOM 0 HD11 LEU A 96 -13.741 0.981 -4.021 1.00 52.32 H new ATOM 0 HD12 LEU A 96 -13.855 0.883 -2.248 1.00 52.32 H new ATOM 0 HD13 LEU A 96 -12.948 2.212 -3.009 1.00 52.32 H new ATOM 0 HD21 LEU A 96 -11.619 0.459 -5.166 1.00 34.43 H new ATOM 0 HD22 LEU A 96 -10.744 1.670 -4.199 1.00 34.43 H new ATOM 0 HD23 LEU A 96 -10.184 -0.019 -4.229 1.00 34.43 H new ATOM 1481 N ASN A 97 -10.600 2.861 0.804 1.00 42.03 N ATOM 1482 CA ASN A 97 -11.099 3.343 2.087 1.00 45.04 C ATOM 1483 C ASN A 97 -12.090 2.353 2.692 1.00 34.32 C ATOM 1484 O ASN A 97 -12.994 2.738 3.433 1.00 13.45 O ATOM 1485 CB ASN A 97 -11.767 4.709 1.917 1.00 11.34 C ATOM 1486 CG ASN A 97 -10.758 5.826 1.723 1.00 21.34 C ATOM 1487 OD1 ASN A 97 -10.505 6.259 0.599 1.00 50.24 O ATOM 1488 ND2 ASN A 97 -10.176 6.295 2.820 1.00 33.42 N ATOM 0 H ASN A 97 -9.583 2.858 0.721 1.00 42.03 H new ATOM 0 HA ASN A 97 -10.251 3.442 2.764 1.00 45.04 H new ATOM 0 HB2 ASN A 97 -12.439 4.677 1.060 1.00 11.34 H new ATOM 0 HB3 ASN A 97 -12.378 4.923 2.794 1.00 11.34 H new ATOM 0 HD21 ASN A 97 -9.488 7.045 2.752 1.00 33.42 H new ATOM 0 HD22 ASN A 97 -10.417 5.906 3.731 1.00 33.42 H new ATOM 1495 N MET A 98 -11.911 1.075 2.372 1.00 13.25 N ATOM 1496 CA MET A 98 -12.788 0.030 2.886 1.00 24.23 C ATOM 1497 C MET A 98 -12.657 -0.094 4.401 1.00 62.21 C ATOM 1498 O MET A 98 -11.904 0.648 5.033 1.00 22.15 O ATOM 1499 CB MET A 98 -12.460 -1.311 2.224 1.00 53.14 C ATOM 1500 CG MET A 98 -13.474 -1.731 1.171 1.00 21.03 C ATOM 1501 SD MET A 98 -14.248 -3.316 1.546 1.00 52.42 S ATOM 1502 CE MET A 98 -15.957 -2.959 1.144 1.00 72.23 C ATOM 0 H MET A 98 -11.167 0.739 1.760 1.00 13.25 H new ATOM 0 HA MET A 98 -13.816 0.304 2.649 1.00 24.23 H new ATOM 0 HB2 MET A 98 -11.474 -1.248 1.763 1.00 53.14 H new ATOM 0 HB3 MET A 98 -12.405 -2.083 2.992 1.00 53.14 H new ATOM 0 HG2 MET A 98 -14.245 -0.965 1.089 1.00 21.03 H new ATOM 0 HG3 MET A 98 -12.981 -1.792 0.201 1.00 21.03 H new ATOM 0 HE1 MET A 98 -16.566 -3.845 1.324 1.00 72.23 H new ATOM 0 HE2 MET A 98 -16.314 -2.140 1.769 1.00 72.23 H new ATOM 0 HE3 MET A 98 -16.032 -2.674 0.095 1.00 72.23 H new ATOM 1512 N THR A 99 -13.395 -1.036 4.980 1.00 41.44 N ATOM 1513 CA THR A 99 -13.363 -1.255 6.420 1.00 70.15 C ATOM 1514 C THR A 99 -13.359 -2.743 6.750 1.00 11.03 C ATOM 1515 O THR A 99 -14.130 -3.205 7.591 1.00 34.34 O ATOM 1516 CB THR A 99 -14.567 -0.590 7.116 1.00 34.25 C ATOM 1517 OG1 THR A 99 -14.500 -0.815 8.529 1.00 43.22 O ATOM 1518 CG2 THR A 99 -15.877 -1.136 6.571 1.00 73.20 C ATOM 0 H THR A 99 -14.023 -1.660 4.473 1.00 41.44 H new ATOM 0 HA THR A 99 -12.443 -0.801 6.788 1.00 70.15 H new ATOM 0 HB THR A 99 -14.529 0.481 6.917 1.00 34.25 H new ATOM 0 HG1 THR A 99 -14.358 -1.769 8.702 1.00 43.22 H new ATOM 0 HG21 THR A 99 -16.712 -0.652 7.077 1.00 73.20 H new ATOM 0 HG22 THR A 99 -15.937 -0.937 5.501 1.00 73.20 H new ATOM 0 HG23 THR A 99 -15.923 -2.211 6.743 1.00 73.20 H new ATOM 1526 N VAL A 100 -12.485 -3.490 6.082 1.00 1.51 N ATOM 1527 CA VAL A 100 -12.379 -4.926 6.306 1.00 25.34 C ATOM 1528 C VAL A 100 -12.221 -5.241 7.789 1.00 41.22 C ATOM 1529 O VAL A 100 -11.717 -4.423 8.557 1.00 74.11 O ATOM 1530 CB VAL A 100 -11.188 -5.528 5.536 1.00 63.14 C ATOM 1531 CG1 VAL A 100 -11.447 -5.486 4.037 1.00 12.35 C ATOM 1532 CG2 VAL A 100 -9.903 -4.794 5.885 1.00 22.13 C ATOM 0 H VAL A 100 -11.840 -3.124 5.381 1.00 1.51 H new ATOM 0 HA VAL A 100 -13.303 -5.372 5.939 1.00 25.34 H new ATOM 0 HB VAL A 100 -11.074 -6.571 5.832 1.00 63.14 H new ATOM 0 HG11 VAL A 100 -10.596 -5.915 3.509 1.00 12.35 H new ATOM 0 HG12 VAL A 100 -12.344 -6.060 3.807 1.00 12.35 H new ATOM 0 HG13 VAL A 100 -11.587 -4.452 3.721 1.00 12.35 H new ATOM 0 HG21 VAL A 100 -9.072 -5.232 5.332 1.00 22.13 H new ATOM 0 HG22 VAL A 100 -10.001 -3.742 5.619 1.00 22.13 H new ATOM 0 HG23 VAL A 100 -9.713 -4.881 6.955 1.00 22.13 H new ATOM 1542 N SER A 101 -12.656 -6.433 8.185 1.00 10.11 N ATOM 1543 CA SER A 101 -12.566 -6.856 9.578 1.00 45.00 C ATOM 1544 C SER A 101 -11.332 -7.723 9.804 1.00 25.20 C ATOM 1545 O SER A 101 -10.710 -7.677 10.866 1.00 40.42 O ATOM 1546 CB SER A 101 -13.826 -7.625 9.981 1.00 32.42 C ATOM 1547 OG SER A 101 -14.979 -7.067 9.378 1.00 74.24 O ATOM 0 H SER A 101 -13.074 -7.123 7.561 1.00 10.11 H new ATOM 0 HA SER A 101 -12.479 -5.964 10.199 1.00 45.00 H new ATOM 0 HB2 SER A 101 -13.728 -8.670 9.687 1.00 32.42 H new ATOM 0 HB3 SER A 101 -13.935 -7.608 11.065 1.00 32.42 H new ATOM 0 HG SER A 101 -15.770 -7.577 9.650 1.00 74.24 H new ATOM 1553 N THR A 102 -10.981 -8.517 8.796 1.00 35.43 N ATOM 1554 CA THR A 102 -9.823 -9.397 8.883 1.00 14.03 C ATOM 1555 C THR A 102 -9.001 -9.352 7.600 1.00 75.11 C ATOM 1556 O THR A 102 -9.552 -9.331 6.500 1.00 14.35 O ATOM 1557 CB THR A 102 -10.242 -10.852 9.161 1.00 60.22 C ATOM 1558 OG1 THR A 102 -10.796 -11.437 7.977 1.00 51.32 O ATOM 1559 CG2 THR A 102 -11.261 -10.916 10.288 1.00 50.11 C ATOM 0 H THR A 102 -11.483 -8.568 7.910 1.00 35.43 H new ATOM 0 HA THR A 102 -9.215 -9.038 9.713 1.00 14.03 H new ATOM 0 HB THR A 102 -9.356 -11.411 9.462 1.00 60.22 H new ATOM 0 HG1 THR A 102 -11.058 -12.363 8.162 1.00 51.32 H new ATOM 0 HG21 THR A 102 -11.542 -11.954 10.466 1.00 50.11 H new ATOM 0 HG22 THR A 102 -10.827 -10.497 11.196 1.00 50.11 H new ATOM 0 HG23 THR A 102 -12.146 -10.343 10.011 1.00 50.11 H new ATOM 1567 N ALA A 103 -7.680 -9.340 7.749 1.00 54.00 N ATOM 1568 CA ALA A 103 -6.782 -9.301 6.602 1.00 24.20 C ATOM 1569 C ALA A 103 -7.126 -10.397 5.598 1.00 64.34 C ATOM 1570 O ALA A 103 -6.972 -10.217 4.390 1.00 52.14 O ATOM 1571 CB ALA A 103 -5.337 -9.436 7.057 1.00 72.02 C ATOM 0 H ALA A 103 -7.208 -9.357 8.653 1.00 54.00 H new ATOM 0 HA ALA A 103 -6.907 -8.338 6.107 1.00 24.20 H new ATOM 0 HB1 ALA A 103 -4.678 -9.405 6.189 1.00 72.02 H new ATOM 0 HB2 ALA A 103 -5.089 -8.615 7.730 1.00 72.02 H new ATOM 0 HB3 ALA A 103 -5.207 -10.384 7.578 1.00 72.02 H new ATOM 1577 N ALA A 104 -7.594 -11.533 6.106 1.00 4.14 N ATOM 1578 CA ALA A 104 -7.962 -12.656 5.253 1.00 20.14 C ATOM 1579 C ALA A 104 -9.111 -12.286 4.322 1.00 3.33 C ATOM 1580 O ALA A 104 -9.042 -12.515 3.115 1.00 45.41 O ATOM 1581 CB ALA A 104 -8.336 -13.863 6.102 1.00 2.25 C ATOM 0 H ALA A 104 -7.727 -11.699 7.104 1.00 4.14 H new ATOM 0 HA ALA A 104 -7.099 -12.911 4.638 1.00 20.14 H new ATOM 0 HB1 ALA A 104 -8.609 -14.695 5.452 1.00 2.25 H new ATOM 0 HB2 ALA A 104 -7.486 -14.150 6.721 1.00 2.25 H new ATOM 0 HB3 ALA A 104 -9.182 -13.610 6.742 1.00 2.25 H new ATOM 1587 N ALA A 105 -10.166 -11.714 4.891 1.00 42.34 N ATOM 1588 CA ALA A 105 -11.330 -11.311 4.110 1.00 34.15 C ATOM 1589 C ALA A 105 -10.950 -10.285 3.048 1.00 33.11 C ATOM 1590 O ALA A 105 -11.499 -10.286 1.947 1.00 11.05 O ATOM 1591 CB ALA A 105 -12.410 -10.752 5.025 1.00 52.00 C ATOM 0 H ALA A 105 -10.239 -11.519 5.889 1.00 42.34 H new ATOM 0 HA ALA A 105 -11.720 -12.193 3.602 1.00 34.15 H new ATOM 0 HB1 ALA A 105 -13.273 -10.455 4.430 1.00 52.00 H new ATOM 0 HB2 ALA A 105 -12.710 -11.515 5.743 1.00 52.00 H new ATOM 0 HB3 ALA A 105 -12.022 -9.885 5.559 1.00 52.00 H new ATOM 1597 N ALA A 106 -10.009 -9.409 3.387 1.00 32.20 N ATOM 1598 CA ALA A 106 -9.556 -8.379 2.462 1.00 13.22 C ATOM 1599 C ALA A 106 -8.952 -8.997 1.206 1.00 12.43 C ATOM 1600 O ALA A 106 -9.342 -8.658 0.089 1.00 4.24 O ATOM 1601 CB ALA A 106 -8.546 -7.466 3.142 1.00 75.33 C ATOM 0 H ALA A 106 -9.546 -9.393 4.296 1.00 32.20 H new ATOM 0 HA ALA A 106 -10.421 -7.787 2.164 1.00 13.22 H new ATOM 0 HB1 ALA A 106 -8.216 -6.701 2.439 1.00 75.33 H new ATOM 0 HB2 ALA A 106 -9.010 -6.989 4.006 1.00 75.33 H new ATOM 0 HB3 ALA A 106 -7.688 -8.053 3.469 1.00 75.33 H new ATOM 1607 N GLU A 107 -7.998 -9.902 1.397 1.00 0.33 N ATOM 1608 CA GLU A 107 -7.339 -10.565 0.278 1.00 44.12 C ATOM 1609 C GLU A 107 -8.343 -11.364 -0.548 1.00 64.42 C ATOM 1610 O GLU A 107 -8.211 -11.477 -1.766 1.00 31.22 O ATOM 1611 CB GLU A 107 -6.230 -11.488 0.784 1.00 12.14 C ATOM 1612 CG GLU A 107 -5.643 -12.383 -0.294 1.00 24.10 C ATOM 1613 CD GLU A 107 -5.949 -13.850 -0.065 1.00 62.42 C ATOM 1614 OE1 GLU A 107 -5.281 -14.468 0.791 1.00 24.33 O ATOM 1615 OE2 GLU A 107 -6.856 -14.381 -0.740 1.00 71.12 O ATOM 0 H GLU A 107 -7.664 -10.193 2.316 1.00 0.33 H new ATOM 0 HA GLU A 107 -6.900 -9.797 -0.358 1.00 44.12 H new ATOM 0 HB2 GLU A 107 -5.433 -10.882 1.215 1.00 12.14 H new ATOM 0 HB3 GLU A 107 -6.625 -12.111 1.586 1.00 12.14 H new ATOM 0 HG2 GLU A 107 -6.036 -12.081 -1.265 1.00 24.10 H new ATOM 0 HG3 GLU A 107 -4.563 -12.242 -0.329 1.00 24.10 H new ATOM 1622 N ASN A 108 -9.347 -11.917 0.124 1.00 55.11 N ATOM 1623 CA ASN A 108 -10.373 -12.707 -0.547 1.00 55.12 C ATOM 1624 C ASN A 108 -11.111 -11.870 -1.587 1.00 14.34 C ATOM 1625 O ASN A 108 -11.268 -12.285 -2.735 1.00 35.31 O ATOM 1626 CB ASN A 108 -11.368 -13.262 0.475 1.00 31.23 C ATOM 1627 CG ASN A 108 -12.264 -14.335 -0.114 1.00 21.04 C ATOM 1628 OD1 ASN A 108 -11.835 -15.470 -0.325 1.00 12.41 O ATOM 1629 ND2 ASN A 108 -13.515 -13.979 -0.382 1.00 31.32 N ATOM 0 H ASN A 108 -9.472 -11.833 1.133 1.00 55.11 H new ATOM 0 HA ASN A 108 -9.882 -13.537 -1.056 1.00 55.12 H new ATOM 0 HB2 ASN A 108 -10.822 -13.674 1.323 1.00 31.23 H new ATOM 0 HB3 ASN A 108 -11.984 -12.448 0.858 1.00 31.23 H new ATOM 0 HD21 ASN A 108 -14.164 -14.658 -0.779 1.00 31.32 H new ATOM 0 HD22 ASN A 108 -13.826 -13.027 -0.190 1.00 31.32 H new ATOM 1636 N MET A 109 -11.560 -10.688 -1.177 1.00 62.32 N ATOM 1637 CA MET A 109 -12.280 -9.791 -2.075 1.00 24.22 C ATOM 1638 C MET A 109 -11.376 -9.318 -3.209 1.00 64.20 C ATOM 1639 O MET A 109 -11.804 -9.229 -4.360 1.00 4.22 O ATOM 1640 CB MET A 109 -12.820 -8.587 -1.301 1.00 44.15 C ATOM 1641 CG MET A 109 -14.261 -8.755 -0.844 1.00 5.14 C ATOM 1642 SD MET A 109 -14.406 -8.921 0.945 1.00 22.30 S ATOM 1643 CE MET A 109 -15.467 -7.530 1.329 1.00 21.14 C ATOM 0 H MET A 109 -11.438 -10.329 -0.230 1.00 62.32 H new ATOM 0 HA MET A 109 -13.116 -10.341 -2.506 1.00 24.22 H new ATOM 0 HB2 MET A 109 -12.189 -8.413 -0.429 1.00 44.15 H new ATOM 0 HB3 MET A 109 -12.748 -7.699 -1.929 1.00 44.15 H new ATOM 0 HG2 MET A 109 -14.845 -7.896 -1.174 1.00 5.14 H new ATOM 0 HG3 MET A 109 -14.690 -9.635 -1.323 1.00 5.14 H new ATOM 0 HE1 MET A 109 -15.650 -7.497 2.403 1.00 21.14 H new ATOM 0 HE2 MET A 109 -14.983 -6.605 1.015 1.00 21.14 H new ATOM 0 HE3 MET A 109 -16.415 -7.640 0.803 1.00 21.14 H new ATOM 1653 N TYR A 110 -10.126 -9.016 -2.877 1.00 13.20 N ATOM 1654 CA TYR A 110 -9.164 -8.549 -3.868 1.00 31.34 C ATOM 1655 C TYR A 110 -8.903 -9.621 -4.921 1.00 65.12 C ATOM 1656 O TYR A 110 -9.006 -9.365 -6.122 1.00 14.25 O ATOM 1657 CB TYR A 110 -7.851 -8.157 -3.189 1.00 14.00 C ATOM 1658 CG TYR A 110 -7.264 -6.864 -3.706 1.00 13.45 C ATOM 1659 CD1 TYR A 110 -8.020 -5.698 -3.738 1.00 74.01 C ATOM 1660 CD2 TYR A 110 -5.954 -6.807 -4.165 1.00 12.24 C ATOM 1661 CE1 TYR A 110 -7.488 -4.514 -4.211 1.00 43.02 C ATOM 1662 CE2 TYR A 110 -5.412 -5.626 -4.639 1.00 61.34 C ATOM 1663 CZ TYR A 110 -6.184 -4.483 -4.659 1.00 4.34 C ATOM 1664 OH TYR A 110 -5.650 -3.306 -5.132 1.00 73.20 O ATOM 0 H TYR A 110 -9.755 -9.086 -1.929 1.00 13.20 H new ATOM 0 HA TYR A 110 -9.586 -7.674 -4.362 1.00 31.34 H new ATOM 0 HB2 TYR A 110 -8.020 -8.066 -2.116 1.00 14.00 H new ATOM 0 HB3 TYR A 110 -7.125 -8.958 -3.331 1.00 14.00 H new ATOM 0 HD1 TYR A 110 -9.041 -5.718 -3.387 1.00 74.01 H new ATOM 0 HD2 TYR A 110 -5.348 -7.701 -4.151 1.00 12.24 H new ATOM 0 HE1 TYR A 110 -8.090 -3.618 -4.230 1.00 43.02 H new ATOM 0 HE2 TYR A 110 -4.391 -5.599 -4.991 1.00 61.34 H new ATOM 0 HH TYR A 110 -4.721 -3.455 -5.407 1.00 73.20 H new ATOM 1674 N SER A 111 -8.567 -10.822 -4.464 1.00 3.23 N ATOM 1675 CA SER A 111 -8.289 -11.934 -5.366 1.00 12.41 C ATOM 1676 C SER A 111 -9.545 -12.342 -6.128 1.00 5.40 C ATOM 1677 O SER A 111 -9.504 -12.565 -7.339 1.00 72.40 O ATOM 1678 CB SER A 111 -7.743 -13.129 -4.584 1.00 33.35 C ATOM 1679 OG SER A 111 -8.764 -13.749 -3.821 1.00 64.32 O ATOM 0 H SER A 111 -8.480 -11.051 -3.474 1.00 3.23 H new ATOM 0 HA SER A 111 -7.539 -11.607 -6.085 1.00 12.41 H new ATOM 0 HB2 SER A 111 -7.311 -13.853 -5.275 1.00 33.35 H new ATOM 0 HB3 SER A 111 -6.941 -12.800 -3.924 1.00 33.35 H new ATOM 0 HG SER A 111 -8.895 -13.253 -2.986 1.00 64.32 H new ATOM 1685 N GLN A 112 -10.661 -12.437 -5.413 1.00 15.14 N ATOM 1686 CA GLN A 112 -11.930 -12.818 -6.021 1.00 30.33 C ATOM 1687 C GLN A 112 -12.390 -11.766 -7.025 1.00 63.41 C ATOM 1688 O GLN A 112 -13.074 -12.081 -7.999 1.00 70.41 O ATOM 1689 CB GLN A 112 -12.998 -13.015 -4.944 1.00 12.44 C ATOM 1690 CG GLN A 112 -14.383 -13.294 -5.504 1.00 24.42 C ATOM 1691 CD GLN A 112 -15.368 -13.726 -4.435 1.00 5.13 C ATOM 1692 OE1 GLN A 112 -16.082 -12.902 -3.864 1.00 31.24 O ATOM 1693 NE2 GLN A 112 -15.412 -15.025 -4.161 1.00 72.22 N ATOM 0 H GLN A 112 -10.712 -12.255 -4.411 1.00 15.14 H new ATOM 0 HA GLN A 112 -11.782 -13.759 -6.551 1.00 30.33 H new ATOM 0 HB2 GLN A 112 -12.703 -13.842 -4.299 1.00 12.44 H new ATOM 0 HB3 GLN A 112 -13.041 -12.123 -4.319 1.00 12.44 H new ATOM 0 HG2 GLN A 112 -14.758 -12.398 -5.998 1.00 24.42 H new ATOM 0 HG3 GLN A 112 -14.314 -14.072 -6.264 1.00 24.42 H new ATOM 0 HE21 GLN A 112 -14.801 -15.672 -4.660 1.00 72.22 H new ATOM 0 HE22 GLN A 112 -16.056 -15.375 -3.452 1.00 72.22 H new ATOM 1702 N MET A 113 -12.011 -10.517 -6.781 1.00 11.02 N ATOM 1703 CA MET A 113 -12.384 -9.419 -7.665 1.00 10.30 C ATOM 1704 C MET A 113 -11.661 -9.528 -9.004 1.00 71.30 C ATOM 1705 O MET A 113 -12.108 -8.976 -10.008 1.00 13.25 O ATOM 1706 CB MET A 113 -12.063 -8.075 -7.008 1.00 50.34 C ATOM 1707 CG MET A 113 -13.223 -7.496 -6.212 1.00 14.52 C ATOM 1708 SD MET A 113 -12.688 -6.281 -4.992 1.00 72.00 S ATOM 1709 CE MET A 113 -12.818 -4.767 -5.940 1.00 63.24 C ATOM 0 H MET A 113 -11.446 -10.239 -5.979 1.00 11.02 H new ATOM 0 HA MET A 113 -13.457 -9.481 -7.845 1.00 10.30 H new ATOM 0 HB2 MET A 113 -11.205 -8.198 -6.347 1.00 50.34 H new ATOM 0 HB3 MET A 113 -11.771 -7.363 -7.780 1.00 50.34 H new ATOM 0 HG2 MET A 113 -13.932 -7.030 -6.896 1.00 14.52 H new ATOM 0 HG3 MET A 113 -13.752 -8.304 -5.707 1.00 14.52 H new ATOM 0 HE1 MET A 113 -12.519 -3.922 -5.319 1.00 63.24 H new ATOM 0 HE2 MET A 113 -12.165 -4.826 -6.811 1.00 63.24 H new ATOM 0 HE3 MET A 113 -13.849 -4.630 -6.268 1.00 63.24 H new